USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 5 ASN : amide:sc= -1.08 K(o=0.12,f=-2.6!) USER MOD Set 1.2: A 9 SER OG : rot 124:sc= 1.2 USER MOD Single : A 3 GLN : amide:sc= -1.66! C(o=-1.7!,f=-8.3!) USER MOD Single : A 8 LYS NZ :NH3+ -130:sc= 0.169 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.013 (180deg=-0.339) USER MOD Single : A 14 HIS : no HE2:sc= -1.1 K(o=-1.1,f=-2.9) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 22 HIS : no HD1:sc= -2.04 K(o=-2,f=-3.2) USER MOD Single : A 24 LYS NZ :NH3+ -150:sc= -0.107 (180deg=-0.617) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.989! C(o=-2.2!,f=-0.99!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.46! C(o=-4.5!,f=-7.1!) USER MOD Single : A 37 ASN : amide:sc= -1.31! C(o=-1.3!,f=-9.2!) USER MOD Single : A 45 ASN : amide:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.88 F(o=-2.9!,f=-0.88) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.47 F(o=-4.7!,f=-1.5) USER MOD Single : A 56 SER OG : rot 69:sc= 1.19 USER MOD Single : A 60 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 64 SER OG : rot -38:sc= -0.53 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= -0.487! USER MOD Single : A 73 ASN : amide:sc= -2.92! C(o=-2.9!,f=-7.2!) USER MOD Single : A 76 ASN : amide:sc= -2.05! C(o=-2!,f=-7.1!) USER MOD Single : A 78 GLN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.03 K(o=-1,f=-3.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -9.159 12.951 -5.187 1.00 0.00 N ATOM 19 CA GLU A 2 -9.900 11.694 -5.156 1.00 0.00 C ATOM 20 C GLU A 2 -8.939 10.509 -5.167 1.00 0.00 C ATOM 21 O GLU A 2 -9.195 9.485 -4.538 1.00 0.00 O ATOM 22 CB GLU A 2 -10.841 11.611 -6.363 1.00 0.00 C ATOM 23 CG GLU A 2 -10.159 12.223 -7.591 1.00 0.00 C ATOM 24 CD GLU A 2 -10.294 13.743 -7.566 1.00 0.00 C ATOM 25 OE1 GLU A 2 -10.824 14.255 -6.595 1.00 0.00 O ATOM 26 OE2 GLU A 2 -9.864 14.371 -8.520 1.00 0.00 O ATOM 0 HA GLU A 2 -10.488 11.660 -4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -11.104 10.572 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -11.770 12.140 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.105 11.944 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.608 11.826 -8.501 1.00 0.00 H new ATOM 33 N GLN A 3 -7.835 10.656 -5.891 1.00 0.00 N ATOM 34 CA GLN A 3 -6.838 9.595 -5.984 1.00 0.00 C ATOM 35 C GLN A 3 -6.593 8.955 -4.626 1.00 0.00 C ATOM 36 O GLN A 3 -7.067 7.852 -4.355 1.00 0.00 O ATOM 37 CB GLN A 3 -5.523 10.170 -6.518 1.00 0.00 C ATOM 38 CG GLN A 3 -5.663 10.479 -8.011 1.00 0.00 C ATOM 39 CD GLN A 3 -6.611 11.655 -8.212 1.00 0.00 C ATOM 40 OE1 GLN A 3 -6.799 12.465 -7.304 1.00 0.00 O ATOM 41 NE2 GLN A 3 -7.223 11.800 -9.356 1.00 0.00 N ATOM 0 H GLN A 3 -7.608 11.497 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.215 8.831 -6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.263 11.077 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.713 9.459 -6.358 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.687 10.711 -8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.040 9.603 -8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.066 11.128 -10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.858 12.585 -9.499 1.00 0.00 H new ATOM 50 N PHE A 4 -5.846 9.650 -3.775 1.00 0.00 N ATOM 51 CA PHE A 4 -5.548 9.128 -2.449 1.00 0.00 C ATOM 52 C PHE A 4 -6.811 8.560 -1.817 1.00 0.00 C ATOM 53 O PHE A 4 -6.795 7.464 -1.264 1.00 0.00 O ATOM 54 CB PHE A 4 -4.941 10.222 -1.560 1.00 0.00 C ATOM 55 CG PHE A 4 -6.034 11.046 -0.916 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.369 12.300 -1.444 1.00 0.00 C ATOM 57 CD2 PHE A 4 -6.707 10.560 0.211 1.00 0.00 C ATOM 58 CE1 PHE A 4 -7.376 13.065 -0.845 1.00 0.00 C ATOM 59 CE2 PHE A 4 -7.715 11.326 0.809 1.00 0.00 C ATOM 60 CZ PHE A 4 -8.049 12.578 0.282 1.00 0.00 C ATOM 0 H PHE A 4 -5.441 10.564 -3.977 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.815 8.327 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.317 9.769 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.294 10.866 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.850 12.676 -2.313 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.449 9.594 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.634 14.031 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.235 10.950 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.826 13.169 0.744 1.00 0.00 H new ATOM 70 N ASN A 5 -7.911 9.290 -1.921 1.00 0.00 N ATOM 71 CA ASN A 5 -9.166 8.810 -1.364 1.00 0.00 C ATOM 72 C ASN A 5 -9.535 7.472 -2.001 1.00 0.00 C ATOM 73 O ASN A 5 -10.171 6.627 -1.373 1.00 0.00 O ATOM 74 CB ASN A 5 -10.279 9.830 -1.616 1.00 0.00 C ATOM 75 CG ASN A 5 -11.527 9.445 -0.829 1.00 0.00 C ATOM 76 OD1 ASN A 5 -11.897 8.272 -0.785 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.201 10.369 -0.200 1.00 0.00 N ATOM 0 H ASN A 5 -7.961 10.201 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.048 8.676 -0.289 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.945 10.825 -1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -10.509 9.874 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.036 10.120 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.892 11.340 -0.238 1.00 0.00 H new ATOM 84 N ALA A 6 -9.141 7.302 -3.260 1.00 0.00 N ATOM 85 CA ALA A 6 -9.442 6.074 -3.988 1.00 0.00 C ATOM 86 C ALA A 6 -8.528 4.923 -3.561 1.00 0.00 C ATOM 87 O ALA A 6 -9.001 3.888 -3.084 1.00 0.00 O ATOM 88 CB ALA A 6 -9.295 6.320 -5.490 1.00 0.00 C ATOM 0 H ALA A 6 -8.616 7.994 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.468 5.788 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.520 5.402 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.987 7.104 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.273 6.630 -5.710 1.00 0.00 H new ATOM 94 N PHE A 7 -7.221 5.103 -3.729 1.00 0.00 N ATOM 95 CA PHE A 7 -6.268 4.060 -3.351 1.00 0.00 C ATOM 96 C PHE A 7 -6.307 3.834 -1.838 1.00 0.00 C ATOM 97 O PHE A 7 -6.376 2.696 -1.372 1.00 0.00 O ATOM 98 CB PHE A 7 -4.851 4.444 -3.820 1.00 0.00 C ATOM 99 CG PHE A 7 -3.860 4.298 -2.685 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.280 5.435 -2.108 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.521 3.024 -2.214 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.364 5.298 -1.059 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.603 2.887 -1.165 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.025 4.024 -0.588 1.00 0.00 C ATOM 0 H PHE A 7 -6.801 5.947 -4.118 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.546 3.126 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.553 3.809 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.848 5.472 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.540 6.418 -2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.967 2.147 -2.659 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.919 6.175 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.341 1.904 -0.801 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.317 3.918 0.221 1.00 0.00 H new ATOM 114 N LYS A 8 -6.276 4.924 -1.079 1.00 0.00 N ATOM 115 CA LYS A 8 -6.324 4.838 0.379 1.00 0.00 C ATOM 116 C LYS A 8 -7.565 4.080 0.838 1.00 0.00 C ATOM 117 O LYS A 8 -7.474 3.111 1.601 1.00 0.00 O ATOM 118 CB LYS A 8 -6.345 6.241 0.989 1.00 0.00 C ATOM 119 CG LYS A 8 -6.063 6.142 2.494 1.00 0.00 C ATOM 120 CD LYS A 8 -5.758 7.534 3.061 1.00 0.00 C ATOM 121 CE LYS A 8 -7.063 8.312 3.253 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.756 9.674 3.774 1.00 0.00 N ATOM 0 H LYS A 8 -6.218 5.874 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.435 4.302 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.597 6.871 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.314 6.710 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.923 5.712 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.220 5.475 2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.235 7.443 4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.097 8.076 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.598 8.385 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.715 7.783 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.350 9.870 4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.753 9.724 4.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.950 10.380 3.036 1.00 0.00 H new ATOM 136 N SER A 9 -8.732 4.520 0.378 1.00 0.00 N ATOM 137 CA SER A 9 -9.964 3.857 0.769 1.00 0.00 C ATOM 138 C SER A 9 -9.883 2.392 0.377 1.00 0.00 C ATOM 139 O SER A 9 -10.553 1.541 0.962 1.00 0.00 O ATOM 140 CB SER A 9 -11.176 4.518 0.113 1.00 0.00 C ATOM 141 OG SER A 9 -11.265 5.870 0.544 1.00 0.00 O ATOM 0 H SER A 9 -8.847 5.314 -0.251 1.00 0.00 H new ATOM 0 HA SER A 9 -10.086 3.943 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.085 4.476 -0.972 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.086 3.979 0.378 1.00 0.00 H new ATOM 0 HG SER A 9 -11.265 6.463 -0.236 1.00 0.00 H new ATOM 147 N LEU A 10 -9.039 2.102 -0.609 1.00 0.00 N ATOM 148 CA LEU A 10 -8.857 0.733 -1.058 1.00 0.00 C ATOM 149 C LEU A 10 -8.192 -0.081 0.050 1.00 0.00 C ATOM 150 O LEU A 10 -8.505 -1.255 0.244 1.00 0.00 O ATOM 151 CB LEU A 10 -7.986 0.706 -2.324 1.00 0.00 C ATOM 152 CG LEU A 10 -8.512 -0.342 -3.313 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.515 -0.491 -4.466 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.677 -1.692 -2.605 1.00 0.00 C ATOM 0 H LEU A 10 -8.477 2.793 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.829 0.298 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.985 1.690 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.954 0.478 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.479 -0.020 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.884 -1.235 -5.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.401 0.466 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.550 -0.811 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.051 -2.431 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.713 -2.018 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.385 -1.587 -1.783 1.00 0.00 H new ATOM 166 N LEU A 11 -7.278 0.561 0.781 1.00 0.00 N ATOM 167 CA LEU A 11 -6.586 -0.111 1.874 1.00 0.00 C ATOM 168 C LEU A 11 -7.582 -0.496 2.959 1.00 0.00 C ATOM 169 O LEU A 11 -7.551 -1.616 3.461 1.00 0.00 O ATOM 170 CB LEU A 11 -5.499 0.792 2.475 1.00 0.00 C ATOM 171 CG LEU A 11 -4.232 0.752 1.608 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.457 2.065 1.775 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.344 -0.421 2.042 1.00 0.00 C ATOM 0 H LEU A 11 -7.005 1.533 0.636 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.112 -1.008 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.866 1.816 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.265 0.465 3.488 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.515 0.624 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.558 2.037 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.084 2.900 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.178 2.192 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.446 -0.446 1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.062 -0.296 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.892 -1.356 1.923 1.00 0.00 H new ATOM 185 N LYS A 12 -8.472 0.430 3.318 1.00 0.00 N ATOM 186 CA LYS A 12 -9.471 0.136 4.351 1.00 0.00 C ATOM 187 C LYS A 12 -9.947 -1.311 4.218 1.00 0.00 C ATOM 188 O LYS A 12 -9.848 -2.095 5.163 1.00 0.00 O ATOM 189 CB LYS A 12 -10.664 1.091 4.232 1.00 0.00 C ATOM 190 CG LYS A 12 -10.265 2.487 4.729 1.00 0.00 C ATOM 191 CD LYS A 12 -11.519 3.268 5.133 1.00 0.00 C ATOM 192 CE LYS A 12 -12.519 3.273 3.976 1.00 0.00 C ATOM 193 NZ LYS A 12 -13.502 4.376 4.175 1.00 0.00 N ATOM 0 H LYS A 12 -8.524 1.368 2.921 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.011 0.274 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.996 1.145 3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.503 0.713 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.588 2.401 5.579 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.727 3.023 3.946 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.972 2.816 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.252 4.291 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.995 3.404 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.036 2.315 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.183 4.380 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.009 4.231 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.001 5.287 4.204 1.00 0.00 H new ATOM 207 N LYS A 13 -10.432 -1.664 3.032 1.00 0.00 N ATOM 208 CA LYS A 13 -10.884 -3.029 2.774 1.00 0.00 C ATOM 209 C LYS A 13 -9.780 -4.011 3.159 1.00 0.00 C ATOM 210 O LYS A 13 -10.035 -5.046 3.776 1.00 0.00 O ATOM 211 CB LYS A 13 -11.223 -3.189 1.281 1.00 0.00 C ATOM 212 CG LYS A 13 -12.743 -3.286 1.090 1.00 0.00 C ATOM 213 CD LYS A 13 -13.391 -1.938 1.415 1.00 0.00 C ATOM 214 CE LYS A 13 -14.902 -2.122 1.569 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.455 -2.741 0.332 1.00 0.00 N ATOM 0 H LYS A 13 -10.522 -1.030 2.238 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.775 -3.234 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.832 -2.341 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.742 -4.083 0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.973 -3.573 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.152 -4.062 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.968 -1.531 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.180 -1.221 0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.116 -2.753 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.380 -1.159 1.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.481 -2.577 0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.002 -2.315 -0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.268 -3.764 0.342 1.00 0.00 H new ATOM 229 N HIS A 14 -8.554 -3.662 2.793 1.00 0.00 N ATOM 230 CA HIS A 14 -7.392 -4.489 3.096 1.00 0.00 C ATOM 231 C HIS A 14 -7.167 -4.583 4.599 1.00 0.00 C ATOM 232 O HIS A 14 -7.267 -5.656 5.195 1.00 0.00 O ATOM 233 CB HIS A 14 -6.146 -3.867 2.456 1.00 0.00 C ATOM 234 CG HIS A 14 -5.064 -4.907 2.345 1.00 0.00 C ATOM 235 ND1 HIS A 14 -3.763 -4.668 2.760 1.00 0.00 N ATOM 236 CD2 HIS A 14 -5.074 -6.196 1.870 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.051 -5.787 2.528 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.803 -6.748 1.987 1.00 0.00 N ATOM 0 H HIS A 14 -8.337 -2.806 2.282 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.572 -5.488 2.699 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.389 -3.474 1.469 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.797 -3.027 3.057 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.410 -3.802 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.938 -6.704 1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.000 -5.894 2.752 1.00 0.00 H new ATOM 247 N TYR A 15 -6.840 -3.443 5.194 1.00 0.00 N ATOM 248 CA TYR A 15 -6.568 -3.369 6.621 1.00 0.00 C ATOM 249 C TYR A 15 -7.862 -3.248 7.419 1.00 0.00 C ATOM 250 O TYR A 15 -7.864 -2.726 8.533 1.00 0.00 O ATOM 251 CB TYR A 15 -5.676 -2.152 6.895 1.00 0.00 C ATOM 252 CG TYR A 15 -4.222 -2.519 6.693 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.250 -1.972 7.535 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.843 -3.409 5.675 1.00 0.00 C ATOM 255 CE1 TYR A 15 -1.902 -2.307 7.366 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.494 -3.743 5.505 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.524 -3.194 6.351 1.00 0.00 C ATOM 258 OH TYR A 15 -0.195 -3.526 6.185 1.00 0.00 O ATOM 0 H TYR A 15 -6.757 -2.552 4.705 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.063 -4.284 6.932 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.949 -1.334 6.229 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -5.832 -1.799 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.540 -1.288 8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.592 -3.836 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.154 -1.882 8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.202 -4.425 4.720 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.105 -4.153 5.437 1.00 0.00 H new ATOM 268 N GLU A 16 -8.960 -3.736 6.854 1.00 0.00 N ATOM 269 CA GLU A 16 -10.244 -3.671 7.543 1.00 0.00 C ATOM 270 C GLU A 16 -10.088 -4.110 8.994 1.00 0.00 C ATOM 271 O GLU A 16 -10.610 -3.468 9.907 1.00 0.00 O ATOM 272 CB GLU A 16 -11.261 -4.573 6.838 1.00 0.00 C ATOM 273 CG GLU A 16 -12.651 -4.344 7.436 1.00 0.00 C ATOM 274 CD GLU A 16 -13.151 -2.949 7.078 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.612 -2.259 7.973 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.065 -2.590 5.915 1.00 0.00 O ATOM 0 H GLU A 16 -8.989 -4.175 5.934 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.600 -2.641 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.274 -4.358 5.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.974 -5.619 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.346 -5.095 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.613 -4.458 8.519 1.00 0.00 H new ATOM 283 N LYS A 17 -9.362 -5.203 9.201 1.00 0.00 N ATOM 284 CA LYS A 17 -9.137 -5.717 10.547 1.00 0.00 C ATOM 285 C LYS A 17 -8.057 -4.903 11.248 1.00 0.00 C ATOM 286 O LYS A 17 -8.169 -4.591 12.433 1.00 0.00 O ATOM 287 CB LYS A 17 -8.712 -7.185 10.483 1.00 0.00 C ATOM 288 CG LYS A 17 -9.916 -8.050 10.108 1.00 0.00 C ATOM 289 CD LYS A 17 -9.487 -9.516 10.026 1.00 0.00 C ATOM 290 CE LYS A 17 -10.728 -10.412 10.021 1.00 0.00 C ATOM 291 NZ LYS A 17 -10.311 -11.835 9.859 1.00 0.00 N ATOM 0 H LYS A 17 -8.922 -5.747 8.459 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.067 -5.636 11.110 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.917 -7.312 9.749 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.310 -7.500 11.446 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.706 -7.933 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.326 -7.726 9.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.900 -9.684 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.848 -9.767 10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.283 -10.288 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.396 -10.123 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.153 -12.445 9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.799 -11.947 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.690 -12.107 10.648 1.00 0.00 H new ATOM 305 N THR A 18 -7.012 -4.559 10.503 1.00 0.00 N ATOM 306 CA THR A 18 -5.915 -3.776 11.058 1.00 0.00 C ATOM 307 C THR A 18 -6.303 -2.301 11.133 1.00 0.00 C ATOM 308 O THR A 18 -5.519 -1.425 10.767 1.00 0.00 O ATOM 309 CB THR A 18 -4.664 -3.942 10.182 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.694 -5.219 9.561 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.401 -3.826 11.043 1.00 0.00 C ATOM 0 H THR A 18 -6.902 -4.808 9.520 1.00 0.00 H new ATOM 0 HA THR A 18 -5.700 -4.134 12.065 1.00 0.00 H new ATOM 0 HB THR A 18 -4.651 -3.160 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.898 -5.329 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.519 -3.945 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.376 -2.847 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.409 -4.603 11.807 1.00 0.00 H new ATOM 319 N ILE A 19 -7.518 -2.037 11.603 1.00 0.00 N ATOM 320 CA ILE A 19 -8.002 -0.664 11.715 1.00 0.00 C ATOM 321 C ILE A 19 -7.107 0.150 12.647 1.00 0.00 C ATOM 322 O ILE A 19 -6.337 0.991 12.188 1.00 0.00 O ATOM 323 CB ILE A 19 -9.451 -0.654 12.221 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.897 0.792 12.462 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.570 -1.454 13.527 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.402 0.824 12.731 1.00 0.00 C ATOM 0 H ILE A 19 -8.181 -2.748 11.910 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.972 -0.205 10.727 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.090 -1.116 11.469 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.356 1.214 13.309 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.659 1.407 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.604 -1.436 13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.264 -2.485 13.351 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.927 -1.009 14.286 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.719 1.853 12.902 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.934 0.419 11.870 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.627 0.223 13.612 1.00 0.00 H new ATOM 338 N GLY A 20 -7.220 -0.092 13.954 1.00 0.00 N ATOM 339 CA GLY A 20 -6.418 0.636 14.938 1.00 0.00 C ATOM 340 C GLY A 20 -5.101 1.117 14.336 1.00 0.00 C ATOM 341 O GLY A 20 -4.820 2.316 14.315 1.00 0.00 O ATOM 0 H GLY A 20 -7.855 -0.782 14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.983 1.490 15.310 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.215 -0.009 15.793 1.00 0.00 H new ATOM 345 N PHE A 21 -4.301 0.176 13.842 1.00 0.00 N ATOM 346 CA PHE A 21 -3.021 0.521 13.233 1.00 0.00 C ATOM 347 C PHE A 21 -3.172 1.774 12.378 1.00 0.00 C ATOM 348 O PHE A 21 -2.369 2.702 12.467 1.00 0.00 O ATOM 349 CB PHE A 21 -2.528 -0.640 12.369 1.00 0.00 C ATOM 350 CG PHE A 21 -1.225 -0.261 11.706 1.00 0.00 C ATOM 351 CD1 PHE A 21 -1.143 -0.190 10.310 1.00 0.00 C ATOM 352 CD2 PHE A 21 -0.096 0.016 12.486 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.064 0.157 9.695 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.110 0.365 11.872 1.00 0.00 C ATOM 355 CZ PHE A 21 1.191 0.435 10.476 1.00 0.00 C ATOM 0 H PHE A 21 -4.514 -0.822 13.851 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.293 0.714 14.021 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.390 -1.530 12.983 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.274 -0.886 11.613 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.013 -0.404 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.157 -0.040 13.563 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.126 0.210 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.980 0.581 12.475 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.124 0.704 10.002 1.00 0.00 H new ATOM 365 N HIS A 22 -4.217 1.792 11.559 1.00 0.00 N ATOM 366 CA HIS A 22 -4.482 2.938 10.700 1.00 0.00 C ATOM 367 C HIS A 22 -4.766 4.176 11.547 1.00 0.00 C ATOM 368 O HIS A 22 -4.076 5.186 11.412 1.00 0.00 O ATOM 369 CB HIS A 22 -5.669 2.645 9.775 1.00 0.00 C ATOM 370 CG HIS A 22 -5.698 3.645 8.653 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.941 4.992 8.870 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.522 3.509 7.298 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.904 5.608 7.674 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.652 4.749 6.682 1.00 0.00 N ATOM 0 H HIS A 22 -4.890 1.031 11.472 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.601 3.127 10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.588 1.635 9.373 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.601 2.690 10.339 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.314 2.580 6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.059 6.667 7.533 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -5.572 4.958 5.687 1.00 0.00 H new ATOM 383 N ASP A 23 -5.760 4.106 12.423 1.00 0.00 N ATOM 384 CA ASP A 23 -6.073 5.251 13.274 1.00 0.00 C ATOM 385 C ASP A 23 -4.845 5.641 14.094 1.00 0.00 C ATOM 386 O ASP A 23 -4.864 6.623 14.837 1.00 0.00 O ATOM 387 CB ASP A 23 -7.237 4.903 14.210 1.00 0.00 C ATOM 388 CG ASP A 23 -7.996 6.168 14.601 1.00 0.00 C ATOM 389 OD1 ASP A 23 -9.216 6.135 14.575 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.347 7.151 14.919 1.00 0.00 O ATOM 0 H ASP A 23 -6.353 3.288 12.563 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.362 6.093 12.645 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.912 4.203 13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.859 4.406 15.104 1.00 0.00 H new ATOM 395 N LYS A 24 -3.785 4.851 13.957 1.00 0.00 N ATOM 396 CA LYS A 24 -2.543 5.092 14.688 1.00 0.00 C ATOM 397 C LYS A 24 -1.549 5.920 13.869 1.00 0.00 C ATOM 398 O LYS A 24 -1.026 6.916 14.369 1.00 0.00 O ATOM 399 CB LYS A 24 -1.906 3.747 15.083 1.00 0.00 C ATOM 400 CG LYS A 24 -1.738 3.671 16.606 1.00 0.00 C ATOM 401 CD LYS A 24 -0.619 4.620 17.054 1.00 0.00 C ATOM 402 CE LYS A 24 -0.851 5.040 18.507 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.041 5.933 18.582 1.00 0.00 N ATOM 0 H LYS A 24 -3.760 4.036 13.345 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.788 5.664 15.583 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.531 2.924 14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.937 3.638 14.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.673 3.939 17.098 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.502 2.650 16.904 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.349 4.128 16.958 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.595 5.499 16.410 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.004 4.160 19.131 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.029 5.555 18.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.926 6.599 19.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.133 6.464 17.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.896 5.360 18.733 1.00 0.00 H new ATOM 417 N TYR A 25 -1.262 5.514 12.632 1.00 0.00 N ATOM 418 CA TYR A 25 -0.297 6.263 11.818 1.00 0.00 C ATOM 419 C TYR A 25 -0.841 6.587 10.429 1.00 0.00 C ATOM 420 O TYR A 25 -0.985 7.756 10.073 1.00 0.00 O ATOM 421 CB TYR A 25 1.001 5.465 11.682 1.00 0.00 C ATOM 422 CG TYR A 25 1.528 5.119 13.055 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.502 3.793 13.503 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.046 6.125 13.878 1.00 0.00 C ATOM 425 CE1 TYR A 25 1.993 3.473 14.776 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.537 5.806 15.150 1.00 0.00 C ATOM 427 CZ TYR A 25 2.510 4.481 15.598 1.00 0.00 C ATOM 428 OH TYR A 25 2.995 4.167 16.851 1.00 0.00 O ATOM 0 H TYR A 25 -1.669 4.695 12.179 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.107 7.207 12.329 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.822 4.555 11.110 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.742 6.046 11.133 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.103 3.016 12.867 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.067 7.148 13.532 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.972 2.450 15.122 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.936 6.583 15.785 1.00 0.00 H new ATOM 0 HH TYR A 25 3.318 4.981 17.290 1.00 0.00 H new ATOM 438 N ILE A 26 -1.121 5.553 9.640 1.00 0.00 N ATOM 439 CA ILE A 26 -1.627 5.753 8.282 1.00 0.00 C ATOM 440 C ILE A 26 -2.595 6.932 8.225 1.00 0.00 C ATOM 441 O ILE A 26 -2.799 7.528 7.167 1.00 0.00 O ATOM 442 CB ILE A 26 -2.332 4.489 7.793 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.485 3.259 8.138 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.529 4.564 6.277 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.052 3.458 7.637 1.00 0.00 C ATOM 0 H ILE A 26 -1.008 4.577 9.912 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.777 5.970 7.635 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.303 4.408 8.281 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.484 3.098 9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.919 2.368 7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.032 3.661 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.137 5.435 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.559 4.649 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.545 2.581 7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.061 3.597 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.381 4.338 8.113 1.00 0.00 H new ATOM 457 N LYS A 27 -3.185 7.267 9.368 1.00 0.00 N ATOM 458 CA LYS A 27 -4.126 8.381 9.431 1.00 0.00 C ATOM 459 C LYS A 27 -3.374 9.709 9.497 1.00 0.00 C ATOM 460 O LYS A 27 -2.290 9.846 8.934 1.00 0.00 O ATOM 461 CB LYS A 27 -5.022 8.234 10.668 1.00 0.00 C ATOM 462 CG LYS A 27 -6.384 8.886 10.406 1.00 0.00 C ATOM 463 CD LYS A 27 -7.079 9.171 11.739 1.00 0.00 C ATOM 464 CE LYS A 27 -8.453 9.789 11.480 1.00 0.00 C ATOM 465 NZ LYS A 27 -9.195 9.903 12.767 1.00 0.00 N ATOM 0 H LYS A 27 -3.031 6.789 10.256 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.743 8.369 8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.154 7.179 10.909 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.546 8.700 11.530 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.254 9.812 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.002 8.228 9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.186 8.248 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.472 9.848 12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.341 10.773 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.014 9.173 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.130 10.323 12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.313 8.958 13.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.661 10.507 13.423 1.00 0.00 H new ATOM 479 N ASP A 28 -3.960 10.677 10.201 1.00 0.00 N ATOM 480 CA ASP A 28 -3.352 11.999 10.363 1.00 0.00 C ATOM 481 C ASP A 28 -2.503 12.384 9.152 1.00 0.00 C ATOM 482 O ASP A 28 -2.974 13.078 8.250 1.00 0.00 O ATOM 483 CB ASP A 28 -2.478 12.016 11.619 1.00 0.00 C ATOM 484 CG ASP A 28 -1.782 13.365 11.753 1.00 0.00 C ATOM 485 OD1 ASP A 28 -2.389 14.271 12.302 1.00 0.00 O ATOM 486 OD2 ASP A 28 -0.652 13.475 11.305 1.00 0.00 O ATOM 0 H ASP A 28 -4.859 10.570 10.671 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.159 12.725 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.090 11.825 12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.736 11.219 11.567 1.00 0.00 H new ATOM 491 N ILE A 29 -1.248 11.940 9.150 1.00 0.00 N ATOM 492 CA ILE A 29 -0.327 12.248 8.057 1.00 0.00 C ATOM 493 C ILE A 29 -1.048 12.247 6.712 1.00 0.00 C ATOM 494 O ILE A 29 -2.147 11.709 6.584 1.00 0.00 O ATOM 495 CB ILE A 29 0.806 11.224 8.026 1.00 0.00 C ATOM 496 CG1 ILE A 29 1.596 11.303 9.335 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.737 11.526 6.847 1.00 0.00 C ATOM 498 CD1 ILE A 29 2.604 10.155 9.397 1.00 0.00 C ATOM 0 H ILE A 29 -0.845 11.367 9.891 1.00 0.00 H new ATOM 0 HA ILE A 29 0.080 13.244 8.231 1.00 0.00 H new ATOM 0 HB ILE A 29 0.390 10.223 7.911 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.115 12.259 9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.916 11.250 10.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.545 10.795 6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.174 11.472 5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.155 12.526 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.165 10.213 10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.075 9.203 9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.292 10.229 8.555 1.00 0.00 H new ATOM 510 N ASN A 30 -0.418 12.855 5.712 1.00 0.00 N ATOM 511 CA ASN A 30 -1.009 12.920 4.381 1.00 0.00 C ATOM 512 C ASN A 30 0.007 13.418 3.356 1.00 0.00 C ATOM 513 O ASN A 30 -0.148 14.500 2.790 1.00 0.00 O ATOM 514 CB ASN A 30 -2.218 13.859 4.395 1.00 0.00 C ATOM 515 CG ASN A 30 -1.831 15.199 5.013 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.546 15.686 5.990 1.00 0.00 O flip ATOM 517 ND2 ASN A 30 -0.853 15.818 4.595 1.00 0.00 N flip ATOM 0 H ASN A 30 0.493 13.306 5.797 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.325 11.915 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.584 14.010 3.379 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.032 13.409 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.296 15.435 3.831 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.600 16.714 5.012 1.00 0.00 H new ATOM 524 N ARG A 31 1.041 12.616 3.112 1.00 0.00 N ATOM 525 CA ARG A 31 2.072 12.981 2.142 1.00 0.00 C ATOM 526 C ARG A 31 2.387 11.796 1.236 1.00 0.00 C ATOM 527 O ARG A 31 2.866 10.755 1.693 1.00 0.00 O ATOM 528 CB ARG A 31 3.343 13.438 2.865 1.00 0.00 C ATOM 529 CG ARG A 31 4.181 14.328 1.936 1.00 0.00 C ATOM 530 CD ARG A 31 3.726 15.785 2.065 1.00 0.00 C ATOM 531 NE ARG A 31 4.406 16.616 1.077 1.00 0.00 N ATOM 532 CZ ARG A 31 3.935 16.741 -0.160 1.00 0.00 C ATOM 533 NH1 ARG A 31 2.842 16.118 -0.509 1.00 0.00 N ATOM 534 NH2 ARG A 31 4.564 17.488 -1.025 1.00 0.00 N ATOM 0 H ARG A 31 1.187 11.716 3.568 1.00 0.00 H new ATOM 0 HA ARG A 31 1.699 13.803 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.080 13.987 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.926 12.571 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.237 14.243 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.075 13.994 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.647 15.850 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.940 16.153 3.069 1.00 0.00 H new ATOM 0 HE ARG A 31 5.259 17.110 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.349 15.535 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.481 16.214 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.417 17.976 -0.752 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.203 17.584 -1.974 1.00 0.00 H new ATOM 548 N PHE A 32 2.110 11.969 -0.052 1.00 0.00 N ATOM 549 CA PHE A 32 2.354 10.920 -1.036 1.00 0.00 C ATOM 550 C PHE A 32 2.572 11.536 -2.413 1.00 0.00 C ATOM 551 O PHE A 32 2.018 12.590 -2.725 1.00 0.00 O ATOM 552 CB PHE A 32 1.153 9.970 -1.089 1.00 0.00 C ATOM 553 CG PHE A 32 -0.002 10.655 -1.781 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.412 10.228 -3.051 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.660 11.720 -1.157 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.479 10.868 -3.695 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.727 12.359 -1.799 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.137 11.933 -3.068 1.00 0.00 C ATOM 0 H PHE A 32 1.716 12.826 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 32 3.246 10.365 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.421 9.058 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.864 9.676 -0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.095 9.405 -3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.344 12.050 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.794 10.540 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.234 13.181 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.961 12.426 -3.563 1.00 0.00 H new ATOM 568 N VAL A 33 3.380 10.875 -3.235 1.00 0.00 N ATOM 569 CA VAL A 33 3.656 11.374 -4.577 1.00 0.00 C ATOM 570 C VAL A 33 3.918 10.224 -5.543 1.00 0.00 C ATOM 571 O VAL A 33 4.522 9.214 -5.180 1.00 0.00 O ATOM 572 CB VAL A 33 4.869 12.309 -4.555 1.00 0.00 C ATOM 573 CG1 VAL A 33 4.599 13.477 -3.606 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.104 11.542 -4.076 1.00 0.00 C ATOM 0 H VAL A 33 3.851 10.001 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 33 2.779 11.924 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 33 5.046 12.689 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.463 14.141 -3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.723 14.028 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.418 13.095 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.965 12.211 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.927 11.157 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.301 10.711 -4.753 1.00 0.00 H new ATOM 584 N PHE A 34 3.463 10.399 -6.779 1.00 0.00 N ATOM 585 CA PHE A 34 3.652 9.388 -7.815 1.00 0.00 C ATOM 586 C PHE A 34 4.121 10.056 -9.102 1.00 0.00 C ATOM 587 O PHE A 34 3.724 11.181 -9.403 1.00 0.00 O ATOM 588 CB PHE A 34 2.338 8.632 -8.062 1.00 0.00 C ATOM 589 CG PHE A 34 1.447 9.424 -8.983 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.444 10.243 -8.454 1.00 0.00 C ATOM 591 CD2 PHE A 34 1.624 9.336 -10.368 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.385 10.977 -9.313 1.00 0.00 C ATOM 593 CE2 PHE A 34 0.797 10.068 -11.227 1.00 0.00 C ATOM 594 CZ PHE A 34 -0.207 10.890 -10.700 1.00 0.00 C ATOM 0 H PHE A 34 2.961 11.231 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 34 4.408 8.675 -7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.548 7.656 -8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.828 8.455 -7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.309 10.310 -7.385 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.399 8.703 -10.774 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.160 11.609 -8.906 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.933 9.999 -12.296 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.844 11.457 -11.363 1.00 0.00 H new ATOM 604 N LYS A 35 4.977 9.368 -9.852 1.00 0.00 N ATOM 605 CA LYS A 35 5.501 9.926 -11.095 1.00 0.00 C ATOM 606 C LYS A 35 5.082 9.073 -12.289 1.00 0.00 C ATOM 607 O LYS A 35 4.122 9.407 -12.982 1.00 0.00 O ATOM 608 CB LYS A 35 7.032 10.000 -11.023 1.00 0.00 C ATOM 609 CG LYS A 35 7.558 10.980 -12.081 1.00 0.00 C ATOM 610 CD LYS A 35 7.599 12.398 -11.502 1.00 0.00 C ATOM 611 CE LYS A 35 8.219 13.356 -12.522 1.00 0.00 C ATOM 612 NZ LYS A 35 8.773 14.545 -11.813 1.00 0.00 N ATOM 0 H LYS A 35 5.319 8.434 -9.625 1.00 0.00 H new ATOM 0 HA LYS A 35 5.092 10.928 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.343 10.323 -10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.461 9.011 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.555 10.680 -12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.917 10.956 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.591 12.726 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.180 12.408 -10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.008 12.851 -13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.468 13.669 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.195 15.197 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.009 15.031 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.502 14.238 -11.138 1.00 0.00 H new ATOM 626 N ASN A 36 5.797 7.978 -12.531 1.00 0.00 N ATOM 627 CA ASN A 36 5.468 7.110 -13.656 1.00 0.00 C ATOM 628 C ASN A 36 6.153 5.754 -13.530 1.00 0.00 C ATOM 629 O ASN A 36 6.510 5.144 -14.537 1.00 0.00 O ATOM 630 CB ASN A 36 5.910 7.767 -14.964 1.00 0.00 C ATOM 631 CG ASN A 36 5.000 8.940 -15.306 1.00 0.00 C ATOM 632 OD1 ASN A 36 5.284 10.078 -14.929 1.00 0.00 O ATOM 633 ND2 ASN A 36 3.915 8.733 -16.001 1.00 0.00 N ATOM 0 H ASN A 36 6.595 7.674 -11.973 1.00 0.00 H new ATOM 0 HA ASN A 36 4.389 6.959 -13.654 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.940 8.112 -14.875 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.888 7.035 -15.771 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.301 9.514 -16.233 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.681 7.790 -16.313 1.00 0.00 H new ATOM 640 N ASN A 37 6.340 5.278 -12.304 1.00 0.00 N ATOM 641 CA ASN A 37 6.988 3.986 -12.118 1.00 0.00 C ATOM 642 C ASN A 37 6.935 3.526 -10.670 1.00 0.00 C ATOM 643 O ASN A 37 6.906 2.329 -10.395 1.00 0.00 O ATOM 644 CB ASN A 37 8.446 4.065 -12.574 1.00 0.00 C ATOM 645 CG ASN A 37 9.137 5.251 -11.910 1.00 0.00 C ATOM 646 OD1 ASN A 37 8.474 6.113 -11.332 1.00 0.00 O ATOM 647 ND2 ASN A 37 10.437 5.348 -11.958 1.00 0.00 N ATOM 0 H ASN A 37 6.061 5.752 -11.445 1.00 0.00 H new ATOM 0 HA ASN A 37 6.446 3.258 -12.721 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.966 3.141 -12.319 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.491 4.168 -13.658 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.906 6.139 -11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.984 4.633 -12.437 1.00 0.00 H new ATOM 654 N VAL A 38 6.937 4.470 -9.747 1.00 0.00 N ATOM 655 CA VAL A 38 6.906 4.117 -8.327 1.00 0.00 C ATOM 656 C VAL A 38 6.153 5.154 -7.501 1.00 0.00 C ATOM 657 O VAL A 38 5.934 6.284 -7.941 1.00 0.00 O ATOM 658 CB VAL A 38 8.335 3.987 -7.798 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.304 3.538 -6.335 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.091 2.952 -8.631 1.00 0.00 C ATOM 0 H VAL A 38 6.959 5.471 -9.942 1.00 0.00 H new ATOM 0 HA VAL A 38 6.381 3.166 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 38 8.837 4.952 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.324 3.446 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.764 4.274 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.802 2.573 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.110 2.857 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.587 1.988 -8.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.116 3.271 -9.673 1.00 0.00 H new ATOM 670 N LEU A 39 5.764 4.751 -6.291 1.00 0.00 N ATOM 671 CA LEU A 39 5.037 5.631 -5.381 1.00 0.00 C ATOM 672 C LEU A 39 5.712 5.641 -4.012 1.00 0.00 C ATOM 673 O LEU A 39 6.010 4.585 -3.450 1.00 0.00 O ATOM 674 CB LEU A 39 3.589 5.149 -5.226 1.00 0.00 C ATOM 675 CG LEU A 39 2.750 5.609 -6.423 1.00 0.00 C ATOM 676 CD1 LEU A 39 3.026 4.721 -7.647 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.264 5.534 -6.061 1.00 0.00 C ATOM 0 H LEU A 39 5.942 3.818 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 39 5.041 6.639 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.565 4.062 -5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.164 5.541 -4.302 1.00 0.00 H new ATOM 0 HG LEU A 39 3.020 6.636 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.422 5.062 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.082 4.783 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.770 3.688 -7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.665 5.861 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.003 4.507 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.065 6.181 -5.207 1.00 0.00 H new ATOM 689 N LEU A 40 5.959 6.839 -3.482 1.00 0.00 N ATOM 690 CA LEU A 40 6.612 6.973 -2.181 1.00 0.00 C ATOM 691 C LEU A 40 5.672 7.672 -1.197 1.00 0.00 C ATOM 692 O LEU A 40 4.932 8.582 -1.570 1.00 0.00 O ATOM 693 CB LEU A 40 7.911 7.787 -2.348 1.00 0.00 C ATOM 694 CG LEU A 40 9.093 7.098 -1.649 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.401 7.514 -2.328 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.141 7.521 -0.180 1.00 0.00 C ATOM 0 H LEU A 40 5.719 7.724 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 40 6.854 5.985 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.133 7.909 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.773 8.786 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 40 8.967 6.017 -1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.240 7.025 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.377 7.218 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.519 8.595 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.980 7.030 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.264 8.602 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.212 7.232 0.312 1.00 0.00 H new ATOM 708 N ILE A 41 5.703 7.229 0.059 1.00 0.00 N ATOM 709 CA ILE A 41 4.844 7.808 1.092 1.00 0.00 C ATOM 710 C ILE A 41 5.628 8.026 2.385 1.00 0.00 C ATOM 711 O ILE A 41 6.370 7.151 2.832 1.00 0.00 O ATOM 712 CB ILE A 41 3.657 6.879 1.367 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.733 6.854 0.147 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.877 7.387 2.583 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.781 5.661 0.251 1.00 0.00 C ATOM 0 H ILE A 41 6.309 6.476 0.385 1.00 0.00 H new ATOM 0 HA ILE A 41 4.479 8.771 0.734 1.00 0.00 H new ATOM 0 HB ILE A 41 4.026 5.873 1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.165 7.782 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.322 6.784 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.033 6.725 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.532 7.404 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.510 8.394 2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.123 5.644 -0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.358 4.737 0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.182 5.751 1.157 1.00 0.00 H new ATOM 727 N LEU A 42 5.467 9.206 2.976 1.00 0.00 N ATOM 728 CA LEU A 42 6.175 9.534 4.211 1.00 0.00 C ATOM 729 C LEU A 42 5.768 8.594 5.343 1.00 0.00 C ATOM 730 O LEU A 42 4.588 8.305 5.538 1.00 0.00 O ATOM 731 CB LEU A 42 5.872 10.977 4.632 1.00 0.00 C ATOM 732 CG LEU A 42 6.652 11.977 3.761 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.112 12.041 4.219 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.595 11.558 2.287 1.00 0.00 C ATOM 0 H LEU A 42 4.859 9.946 2.625 1.00 0.00 H new ATOM 0 HA LEU A 42 7.242 9.421 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.803 11.169 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.136 11.118 5.680 1.00 0.00 H new ATOM 0 HG LEU A 42 6.195 12.961 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.658 12.751 3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.153 12.363 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.566 11.054 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.151 12.275 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.036 10.568 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.557 11.533 1.956 1.00 0.00 H new ATOM 746 N LEU A 43 6.764 8.136 6.093 1.00 0.00 N ATOM 747 CA LEU A 43 6.525 7.243 7.223 1.00 0.00 C ATOM 748 C LEU A 43 7.754 7.195 8.129 1.00 0.00 C ATOM 749 O LEU A 43 8.705 6.460 7.861 1.00 0.00 O ATOM 750 CB LEU A 43 6.202 5.831 6.727 1.00 0.00 C ATOM 751 CG LEU A 43 5.808 4.943 7.916 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.362 5.229 8.330 1.00 0.00 C ATOM 753 CD2 LEU A 43 5.931 3.474 7.516 1.00 0.00 C ATOM 0 H LEU A 43 7.745 8.368 5.940 1.00 0.00 H new ATOM 0 HA LEU A 43 5.676 7.626 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.389 5.867 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.067 5.408 6.215 1.00 0.00 H new ATOM 0 HG LEU A 43 6.472 5.158 8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.093 4.594 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.266 6.276 8.619 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.696 5.021 7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.652 2.843 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.269 3.269 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.960 3.260 7.228 1.00 0.00 H new ATOM 765 N GLU A 44 7.727 7.983 9.200 1.00 0.00 N ATOM 766 CA GLU A 44 8.847 8.022 10.137 1.00 0.00 C ATOM 767 C GLU A 44 8.738 6.899 11.164 1.00 0.00 C ATOM 768 O GLU A 44 9.746 6.317 11.566 1.00 0.00 O ATOM 769 CB GLU A 44 8.880 9.374 10.855 1.00 0.00 C ATOM 770 CG GLU A 44 7.576 9.579 11.634 1.00 0.00 C ATOM 771 CD GLU A 44 7.647 8.857 12.976 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.659 8.248 13.352 1.00 0.00 O ATOM 773 OE2 GLU A 44 8.688 8.924 13.609 1.00 0.00 O ATOM 0 H GLU A 44 6.950 8.598 9.440 1.00 0.00 H new ATOM 0 HA GLU A 44 9.769 7.886 9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.731 9.415 11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.012 10.178 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.402 10.643 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.734 9.202 11.054 1.00 0.00 H new ATOM 780 N ASN A 45 7.514 6.599 11.588 1.00 0.00 N ATOM 781 CA ASN A 45 7.296 5.543 12.573 1.00 0.00 C ATOM 782 C ASN A 45 8.120 4.305 12.222 1.00 0.00 C ATOM 783 O ASN A 45 7.881 3.653 11.204 1.00 0.00 O ATOM 784 CB ASN A 45 5.807 5.183 12.631 1.00 0.00 C ATOM 785 CG ASN A 45 5.067 6.165 13.534 1.00 0.00 C ATOM 786 OD1 ASN A 45 4.367 7.051 13.047 1.00 0.00 O ATOM 787 ND2 ASN A 45 5.181 6.058 14.830 1.00 0.00 N ATOM 0 H ASN A 45 6.665 7.066 11.269 1.00 0.00 H new ATOM 0 HA ASN A 45 7.615 5.906 13.550 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.380 5.205 11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.684 4.167 13.007 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.689 6.710 15.441 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.762 5.322 15.232 1.00 0.00 H new ATOM 794 N GLU A 46 9.097 3.997 13.069 1.00 0.00 N ATOM 795 CA GLU A 46 9.968 2.846 12.845 1.00 0.00 C ATOM 796 C GLU A 46 9.172 1.542 12.793 1.00 0.00 C ATOM 797 O GLU A 46 9.421 0.692 11.939 1.00 0.00 O ATOM 798 CB GLU A 46 11.011 2.761 13.961 1.00 0.00 C ATOM 799 CG GLU A 46 11.846 1.490 13.785 1.00 0.00 C ATOM 800 CD GLU A 46 13.123 1.585 14.613 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.167 1.829 14.030 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.039 1.414 15.818 1.00 0.00 O ATOM 0 H GLU A 46 9.306 4.526 13.915 1.00 0.00 H new ATOM 0 HA GLU A 46 10.461 2.983 11.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.657 3.639 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.519 2.753 14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.267 0.619 14.093 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.095 1.351 12.733 1.00 0.00 H new ATOM 809 N PHE A 47 8.222 1.384 13.709 1.00 0.00 N ATOM 810 CA PHE A 47 7.414 0.169 13.745 1.00 0.00 C ATOM 811 C PHE A 47 6.565 0.060 12.483 1.00 0.00 C ATOM 812 O PHE A 47 6.784 -0.818 11.646 1.00 0.00 O ATOM 813 CB PHE A 47 6.505 0.177 14.983 1.00 0.00 C ATOM 814 CG PHE A 47 7.151 -0.608 16.102 1.00 0.00 C ATOM 815 CD1 PHE A 47 8.035 0.026 16.985 1.00 0.00 C ATOM 816 CD2 PHE A 47 6.867 -1.971 16.257 1.00 0.00 C ATOM 817 CE1 PHE A 47 8.633 -0.702 18.020 1.00 0.00 C ATOM 818 CE2 PHE A 47 7.464 -2.699 17.293 1.00 0.00 C ATOM 819 CZ PHE A 47 8.347 -2.064 18.174 1.00 0.00 C ATOM 0 H PHE A 47 7.994 2.071 14.427 1.00 0.00 H new ATOM 0 HA PHE A 47 8.082 -0.691 13.797 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.323 1.202 15.305 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.536 -0.256 14.736 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.255 1.077 16.867 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.187 -2.461 15.576 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.315 -0.213 18.700 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.243 -3.749 17.412 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.808 -2.625 18.973 1.00 0.00 H new ATOM 829 N ALA A 48 5.590 0.952 12.359 1.00 0.00 N ATOM 830 CA ALA A 48 4.703 0.952 11.200 1.00 0.00 C ATOM 831 C ALA A 48 5.473 0.630 9.927 1.00 0.00 C ATOM 832 O ALA A 48 4.940 0.011 9.007 1.00 0.00 O ATOM 833 CB ALA A 48 4.046 2.324 11.049 1.00 0.00 C ATOM 0 H ALA A 48 5.393 1.682 13.043 1.00 0.00 H new ATOM 0 HA ALA A 48 3.941 0.188 11.357 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.385 2.318 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.468 2.551 11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.816 3.083 10.912 1.00 0.00 H new ATOM 839 N ARG A 49 6.727 1.058 9.886 1.00 0.00 N ATOM 840 CA ARG A 49 7.568 0.823 8.722 1.00 0.00 C ATOM 841 C ARG A 49 8.137 -0.592 8.742 1.00 0.00 C ATOM 842 O ARG A 49 8.299 -1.221 7.697 1.00 0.00 O ATOM 843 CB ARG A 49 8.709 1.841 8.701 1.00 0.00 C ATOM 844 CG ARG A 49 9.318 1.917 7.294 1.00 0.00 C ATOM 845 CD ARG A 49 10.094 3.231 7.125 1.00 0.00 C ATOM 846 NE ARG A 49 11.513 3.010 7.374 1.00 0.00 N ATOM 847 CZ ARG A 49 12.349 4.030 7.538 1.00 0.00 C ATOM 848 NH1 ARG A 49 11.901 5.256 7.485 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.616 3.808 7.753 1.00 0.00 N ATOM 0 H ARG A 49 7.183 1.568 10.643 1.00 0.00 H new ATOM 0 HA ARG A 49 6.960 0.936 7.824 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.338 2.822 8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.475 1.557 9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.983 1.069 7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.530 1.852 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.950 3.620 6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.708 3.982 7.815 1.00 0.00 H new ATOM 0 HE ARG A 49 11.871 2.056 7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.910 5.430 7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.542 6.039 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.966 2.851 7.795 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.257 4.591 7.879 1.00 0.00 H new ATOM 863 N ASN A 50 8.449 -1.081 9.936 1.00 0.00 N ATOM 864 CA ASN A 50 9.011 -2.416 10.079 1.00 0.00 C ATOM 865 C ASN A 50 8.126 -3.453 9.390 1.00 0.00 C ATOM 866 O ASN A 50 8.582 -4.225 8.549 1.00 0.00 O ATOM 867 CB ASN A 50 9.131 -2.767 11.564 1.00 0.00 C ATOM 868 CG ASN A 50 9.650 -4.193 11.725 1.00 0.00 C ATOM 869 OD1 ASN A 50 8.911 -5.078 12.152 1.00 0.00 O ATOM 870 ND2 ASN A 50 10.886 -4.469 11.405 1.00 0.00 N ATOM 0 H ASN A 50 8.323 -0.576 10.813 1.00 0.00 H new ATOM 0 HA ASN A 50 9.996 -2.426 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.806 -2.068 12.058 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.160 -2.668 12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.240 -5.420 11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.498 -3.733 11.051 1.00 0.00 H new ATOM 877 N SER A 51 6.854 -3.458 9.782 1.00 0.00 N ATOM 878 CA SER A 51 5.868 -4.395 9.245 1.00 0.00 C ATOM 879 C SER A 51 5.458 -4.050 7.810 1.00 0.00 C ATOM 880 O SER A 51 5.400 -4.925 6.942 1.00 0.00 O ATOM 881 CB SER A 51 4.625 -4.371 10.141 1.00 0.00 C ATOM 882 OG SER A 51 4.556 -5.585 10.877 1.00 0.00 O ATOM 0 H SER A 51 6.478 -2.815 10.479 1.00 0.00 H new ATOM 0 HA SER A 51 6.323 -5.386 9.228 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.669 -3.521 10.822 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.727 -4.248 9.535 1.00 0.00 H new ATOM 0 HG SER A 51 3.763 -5.574 11.453 1.00 0.00 H new ATOM 888 N LEU A 52 5.157 -2.780 7.572 1.00 0.00 N ATOM 889 CA LEU A 52 4.729 -2.348 6.247 1.00 0.00 C ATOM 890 C LEU A 52 5.708 -2.804 5.171 1.00 0.00 C ATOM 891 O LEU A 52 5.305 -3.386 4.164 1.00 0.00 O ATOM 892 CB LEU A 52 4.599 -0.821 6.211 1.00 0.00 C ATOM 893 CG LEU A 52 3.257 -0.401 6.831 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.235 1.118 7.026 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.097 -0.813 5.908 1.00 0.00 C ATOM 0 H LEU A 52 5.200 -2.038 8.270 1.00 0.00 H new ATOM 0 HA LEU A 52 3.760 -2.804 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.423 -0.363 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.663 -0.465 5.183 1.00 0.00 H new ATOM 0 HG LEU A 52 3.142 -0.897 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.283 1.415 7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.048 1.411 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.358 1.610 6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.150 -0.511 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.212 -0.326 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.106 -1.895 5.773 1.00 0.00 H new ATOM 907 N ASN A 53 6.991 -2.524 5.375 1.00 0.00 N ATOM 908 CA ASN A 53 8.001 -2.904 4.391 1.00 0.00 C ATOM 909 C ASN A 53 8.302 -4.401 4.455 1.00 0.00 C ATOM 910 O ASN A 53 8.844 -4.964 3.503 1.00 0.00 O ATOM 911 CB ASN A 53 9.284 -2.098 4.596 1.00 0.00 C ATOM 912 CG ASN A 53 10.320 -2.488 3.547 1.00 0.00 C ATOM 913 OD1 ASN A 53 9.926 -2.989 2.408 1.00 0.00 O flip ATOM 914 ND2 ASN A 53 11.520 -2.333 3.772 1.00 0.00 N flip ATOM 0 H ASN A 53 7.353 -2.043 6.198 1.00 0.00 H new ATOM 0 HA ASN A 53 7.600 -2.680 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.068 -1.032 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.681 -2.279 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.825 -1.941 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.209 -2.596 3.068 1.00 0.00 H new ATOM 921 N ASP A 54 7.933 -5.054 5.553 1.00 0.00 N ATOM 922 CA ASP A 54 8.167 -6.490 5.664 1.00 0.00 C ATOM 923 C ASP A 54 7.240 -7.219 4.699 1.00 0.00 C ATOM 924 O ASP A 54 7.524 -8.332 4.256 1.00 0.00 O ATOM 925 CB ASP A 54 7.906 -6.974 7.093 1.00 0.00 C ATOM 926 CG ASP A 54 9.107 -6.666 7.981 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.081 -7.058 9.136 1.00 0.00 O ATOM 928 OD2 ASP A 54 10.035 -6.043 7.493 1.00 0.00 O ATOM 0 H ASP A 54 7.481 -4.625 6.361 1.00 0.00 H new ATOM 0 HA ASP A 54 9.207 -6.700 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.015 -6.489 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.711 -8.046 7.092 1.00 0.00 H new ATOM 933 N ASN A 55 6.131 -6.561 4.373 1.00 0.00 N ATOM 934 CA ASN A 55 5.149 -7.120 3.449 1.00 0.00 C ATOM 935 C ASN A 55 4.336 -5.997 2.805 1.00 0.00 C ATOM 936 O ASN A 55 3.150 -5.829 3.091 1.00 0.00 O ATOM 937 CB ASN A 55 4.216 -8.082 4.194 1.00 0.00 C ATOM 938 CG ASN A 55 3.657 -9.123 3.228 1.00 0.00 C ATOM 939 OD1 ASN A 55 2.459 -8.968 2.735 1.00 0.00 O flip ATOM 940 ND2 ASN A 55 4.329 -10.106 2.917 1.00 0.00 N flip ATOM 0 H ASN A 55 5.890 -5.639 4.736 1.00 0.00 H new ATOM 0 HA ASN A 55 5.673 -7.669 2.667 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.759 -8.576 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.399 -7.526 4.654 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.265 -10.226 3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.949 -10.800 2.273 1.00 0.00 H new ATOM 947 N SER A 56 4.989 -5.224 1.941 1.00 0.00 N ATOM 948 CA SER A 56 4.327 -4.110 1.266 1.00 0.00 C ATOM 949 C SER A 56 3.609 -4.582 0.006 1.00 0.00 C ATOM 950 O SER A 56 3.734 -3.972 -1.056 1.00 0.00 O ATOM 951 CB SER A 56 5.359 -3.046 0.894 1.00 0.00 C ATOM 952 OG SER A 56 6.008 -3.423 -0.313 1.00 0.00 O ATOM 0 H SER A 56 5.971 -5.347 1.692 1.00 0.00 H new ATOM 0 HA SER A 56 3.589 -3.688 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.873 -2.078 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.090 -2.937 1.695 1.00 0.00 H new ATOM 0 HG SER A 56 5.375 -3.360 -1.058 1.00 0.00 H new ATOM 958 N GLU A 57 2.852 -5.667 0.130 1.00 0.00 N ATOM 959 CA GLU A 57 2.116 -6.205 -1.009 1.00 0.00 C ATOM 960 C GLU A 57 0.910 -5.327 -1.329 1.00 0.00 C ATOM 961 O GLU A 57 -0.120 -5.817 -1.790 1.00 0.00 O ATOM 962 CB GLU A 57 1.651 -7.630 -0.705 1.00 0.00 C ATOM 963 CG GLU A 57 0.753 -7.626 0.533 1.00 0.00 C ATOM 964 CD GLU A 57 0.407 -9.057 0.932 1.00 0.00 C ATOM 965 OE1 GLU A 57 -0.175 -9.233 1.988 1.00 0.00 O ATOM 966 OE2 GLU A 57 0.730 -9.956 0.172 1.00 0.00 O ATOM 0 H GLU A 57 2.732 -6.187 0.999 1.00 0.00 H new ATOM 0 HA GLU A 57 2.779 -6.219 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.108 -8.036 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.513 -8.276 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.258 -7.122 1.357 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.160 -7.066 0.328 1.00 0.00 H new ATOM 973 N ILE A 58 1.043 -4.028 -1.076 1.00 0.00 N ATOM 974 CA ILE A 58 -0.044 -3.090 -1.337 1.00 0.00 C ATOM 975 C ILE A 58 -0.345 -3.006 -2.834 1.00 0.00 C ATOM 976 O ILE A 58 -1.410 -2.536 -3.234 1.00 0.00 O ATOM 977 CB ILE A 58 0.326 -1.705 -0.794 1.00 0.00 C ATOM 978 CG1 ILE A 58 0.331 -1.755 0.739 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.700 -0.670 -1.268 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.781 -0.405 1.301 1.00 0.00 C ATOM 0 H ILE A 58 1.887 -3.603 -0.693 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.940 -3.448 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 58 1.313 -1.421 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.666 -1.998 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.000 -2.544 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.432 0.312 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.709 -0.639 -2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.690 -0.946 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.783 -0.447 2.390 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.786 -0.180 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.095 0.374 0.969 1.00 0.00 H new ATOM 992 N ILE A 59 0.593 -3.471 -3.657 1.00 0.00 N ATOM 993 CA ILE A 59 0.402 -3.446 -5.106 1.00 0.00 C ATOM 994 C ILE A 59 -0.755 -4.365 -5.496 1.00 0.00 C ATOM 995 O ILE A 59 -1.249 -4.324 -6.623 1.00 0.00 O ATOM 996 CB ILE A 59 1.692 -3.883 -5.809 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.391 -4.250 -7.266 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.282 -5.097 -5.088 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.691 -4.265 -8.072 1.00 0.00 C ATOM 0 H ILE A 59 1.482 -3.865 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 59 0.160 -2.430 -5.418 1.00 0.00 H new ATOM 0 HB ILE A 59 2.409 -3.062 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.911 -5.227 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.693 -3.531 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.199 -5.407 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.504 -4.834 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.563 -5.916 -5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.474 -4.526 -9.108 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.153 -3.278 -8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.374 -5.001 -7.648 1.00 0.00 H new ATOM 1011 N HIS A 60 -1.185 -5.178 -4.541 1.00 0.00 N ATOM 1012 CA HIS A 60 -2.295 -6.104 -4.746 1.00 0.00 C ATOM 1013 C HIS A 60 -3.605 -5.352 -4.972 1.00 0.00 C ATOM 1014 O HIS A 60 -4.527 -5.883 -5.592 1.00 0.00 O ATOM 1015 CB HIS A 60 -2.438 -7.004 -3.513 1.00 0.00 C ATOM 1016 CG HIS A 60 -1.538 -8.200 -3.654 1.00 0.00 C ATOM 1017 ND1 HIS A 60 -0.158 -8.102 -3.567 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -1.805 -9.528 -3.879 1.00 0.00 C ATOM 1019 CE1 HIS A 60 0.349 -9.336 -3.738 1.00 0.00 C ATOM 1020 NE2 HIS A 60 -0.613 -10.244 -3.932 1.00 0.00 N ATOM 0 H HIS A 60 -0.778 -5.216 -3.606 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.083 -6.704 -5.631 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.181 -6.447 -2.612 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.473 -7.326 -3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 60 0.376 -7.249 -3.403 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.791 -9.953 -3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.404 -9.565 -3.721 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.693 -4.129 -4.462 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.912 -3.336 -4.609 1.00 0.00 C ATOM 1031 C LEU A 61 -4.597 -1.986 -5.241 1.00 0.00 C ATOM 1032 O LEU A 61 -5.326 -1.510 -6.111 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.566 -3.135 -3.236 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.992 -4.143 -2.230 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -3.614 -3.672 -1.733 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -5.952 -4.267 -1.045 1.00 0.00 C ATOM 0 H LEU A 61 -2.944 -3.667 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.603 -3.870 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.390 -2.118 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.646 -3.262 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.876 -5.112 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.218 -4.395 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.932 -3.585 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.715 -2.701 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.552 -4.981 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.066 -3.295 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.923 -4.614 -1.398 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.505 -1.379 -4.804 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.097 -0.088 -5.338 1.00 0.00 C ATOM 1050 C ALA A 62 -3.158 -0.091 -6.863 1.00 0.00 C ATOM 1051 O ALA A 62 -3.436 0.937 -7.481 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.668 0.231 -4.888 1.00 0.00 C ATOM 0 H ALA A 62 -2.888 -1.756 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.781 0.672 -4.960 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.367 1.198 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.628 0.262 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.991 -0.541 -5.254 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.882 -1.243 -7.468 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.897 -1.341 -8.924 1.00 0.00 C ATOM 1060 C GLU A 63 -4.210 -0.812 -9.483 1.00 0.00 C ATOM 1061 O GLU A 63 -4.333 -0.563 -10.683 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.684 -2.791 -9.364 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.640 -3.704 -8.595 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.637 -5.098 -9.213 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -4.545 -5.389 -9.974 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -2.726 -5.853 -8.918 1.00 0.00 O ATOM 0 H GLU A 63 -2.649 -2.109 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.082 -0.732 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.857 -2.886 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.652 -3.090 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.340 -3.760 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.648 -3.290 -8.616 1.00 0.00 H new ATOM 1073 N SER A 64 -5.184 -0.629 -8.603 1.00 0.00 N ATOM 1074 CA SER A 64 -6.486 -0.113 -9.010 1.00 0.00 C ATOM 1075 C SER A 64 -6.496 1.411 -8.893 1.00 0.00 C ATOM 1076 O SER A 64 -6.774 1.953 -7.826 1.00 0.00 O ATOM 1077 CB SER A 64 -7.588 -0.724 -8.135 1.00 0.00 C ATOM 1078 OG SER A 64 -8.060 0.244 -7.209 1.00 0.00 O ATOM 0 H SER A 64 -5.100 -0.829 -7.606 1.00 0.00 H new ATOM 0 HA SER A 64 -6.674 -0.388 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.410 -1.073 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.202 -1.593 -7.602 1.00 0.00 H new ATOM 0 HG SER A 64 -7.307 0.782 -6.886 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.190 2.078 -10.010 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.152 3.549 -10.084 1.00 0.00 C ATOM 1086 C LEU A 65 -5.099 3.986 -11.098 1.00 0.00 C ATOM 1087 O LEU A 65 -5.289 4.962 -11.824 1.00 0.00 O ATOM 1088 CB LEU A 65 -5.819 4.195 -8.719 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.008 5.021 -8.197 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.395 6.096 -9.223 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.214 4.109 -7.920 1.00 0.00 C ATOM 0 H LEU A 65 -5.961 1.617 -10.891 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.145 3.881 -10.387 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.566 3.419 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.943 4.835 -8.819 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.711 5.505 -7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.237 6.675 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.547 6.759 -9.393 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.676 5.619 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.046 4.708 -7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.509 3.606 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.943 3.365 -7.171 1.00 0.00 H new ATOM 1103 N TYR A 66 -3.985 3.259 -11.135 1.00 0.00 N ATOM 1104 CA TYR A 66 -2.897 3.579 -12.056 1.00 0.00 C ATOM 1105 C TYR A 66 -2.672 2.424 -13.027 1.00 0.00 C ATOM 1106 O TYR A 66 -3.420 1.446 -13.024 1.00 0.00 O ATOM 1107 CB TYR A 66 -1.604 3.837 -11.275 1.00 0.00 C ATOM 1108 CG TYR A 66 -1.875 4.744 -10.095 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -1.569 6.108 -10.178 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -2.422 4.221 -8.914 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -1.809 6.948 -9.083 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -2.663 5.063 -7.819 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.357 6.426 -7.905 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.593 7.255 -6.828 1.00 0.00 O ATOM 0 H TYR A 66 -3.812 2.448 -10.541 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.170 4.474 -12.614 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.186 2.892 -10.928 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.861 4.293 -11.929 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.148 6.512 -11.087 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.658 3.169 -8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.571 7.999 -9.147 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.084 4.660 -6.910 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.976 6.734 -6.092 1.00 0.00 H new ATOM 1124 N GLU A 67 -1.645 2.547 -13.862 1.00 0.00 N ATOM 1125 CA GLU A 67 -1.343 1.507 -14.841 1.00 0.00 C ATOM 1126 C GLU A 67 -0.474 0.416 -14.225 1.00 0.00 C ATOM 1127 O GLU A 67 0.748 0.544 -14.159 1.00 0.00 O ATOM 1128 CB GLU A 67 -0.620 2.110 -16.042 1.00 0.00 C ATOM 1129 CG GLU A 67 -1.444 3.268 -16.611 1.00 0.00 C ATOM 1130 CD GLU A 67 -2.661 2.726 -17.352 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -3.461 3.530 -17.804 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -2.776 1.516 -17.457 1.00 0.00 O ATOM 0 H GLU A 67 -1.013 3.348 -13.882 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.285 1.066 -15.165 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.367 2.465 -15.744 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.468 1.349 -16.807 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.763 3.929 -15.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.831 3.863 -17.288 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.118 -0.657 -13.787 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.408 -1.780 -13.183 1.00 0.00 C ATOM 1141 C GLY A 68 0.751 -1.298 -12.318 1.00 0.00 C ATOM 1142 O GLY A 68 1.915 -1.434 -12.695 1.00 0.00 O ATOM 0 H GLY A 68 -2.130 -0.775 -13.838 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.098 -2.367 -12.577 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.032 -2.439 -13.965 1.00 0.00 H new ATOM 1146 N ILE A 69 0.423 -0.738 -11.158 1.00 0.00 N ATOM 1147 CA ILE A 69 1.444 -0.240 -10.242 1.00 0.00 C ATOM 1148 C ILE A 69 2.663 -1.159 -10.238 1.00 0.00 C ATOM 1149 O ILE A 69 2.530 -2.382 -10.293 1.00 0.00 O ATOM 1150 CB ILE A 69 0.873 -0.150 -8.821 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.149 0.994 -8.744 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.007 0.098 -7.820 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.560 2.324 -8.465 1.00 0.00 C ATOM 0 H ILE A 69 -0.536 -0.618 -10.831 1.00 0.00 H new ATOM 0 HA ILE A 69 1.750 0.750 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 69 0.378 -1.089 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.703 1.059 -9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.875 0.789 -7.957 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.596 0.161 -6.813 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.722 -0.723 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.511 1.033 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.177 3.125 -8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.094 2.260 -7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.268 2.534 -9.266 1.00 0.00 H new ATOM 1165 N LYS A 70 3.846 -0.563 -10.162 1.00 0.00 N ATOM 1166 CA LYS A 70 5.082 -1.332 -10.136 1.00 0.00 C ATOM 1167 C LYS A 70 5.365 -1.819 -8.720 1.00 0.00 C ATOM 1168 O LYS A 70 5.833 -2.940 -8.517 1.00 0.00 O ATOM 1169 CB LYS A 70 6.247 -0.462 -10.614 1.00 0.00 C ATOM 1170 CG LYS A 70 5.788 0.419 -11.780 1.00 0.00 C ATOM 1171 CD LYS A 70 5.137 -0.451 -12.858 1.00 0.00 C ATOM 1172 CE LYS A 70 4.974 0.365 -14.142 1.00 0.00 C ATOM 1173 NZ LYS A 70 4.118 -0.387 -15.104 1.00 0.00 N ATOM 0 H LYS A 70 3.975 0.448 -10.117 1.00 0.00 H new ATOM 0 HA LYS A 70 4.974 -2.191 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.609 0.160 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.080 -1.092 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.079 1.168 -11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.638 0.958 -12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.750 -1.331 -13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.166 -0.808 -12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.523 1.332 -13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.950 0.564 -14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.007 0.167 -15.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.565 -1.299 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.184 -0.555 -14.679 1.00 0.00 H new ATOM 1187 N SER A 71 5.073 -0.962 -7.745 1.00 0.00 N ATOM 1188 CA SER A 71 5.293 -1.303 -6.345 1.00 0.00 C ATOM 1189 C SER A 71 4.929 -0.125 -5.443 1.00 0.00 C ATOM 1190 O SER A 71 4.440 0.903 -5.912 1.00 0.00 O ATOM 1191 CB SER A 71 6.758 -1.684 -6.125 1.00 0.00 C ATOM 1192 OG SER A 71 7.064 -1.603 -4.739 1.00 0.00 O ATOM 0 H SER A 71 4.685 -0.031 -7.899 1.00 0.00 H new ATOM 0 HA SER A 71 4.656 -2.150 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.941 -2.694 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.408 -1.017 -6.692 1.00 0.00 H new ATOM 0 HG SER A 71 8.002 -1.849 -4.596 1.00 0.00 H new ATOM 1198 N VAL A 72 5.181 -0.282 -4.148 1.00 0.00 N ATOM 1199 CA VAL A 72 4.889 0.768 -3.176 1.00 0.00 C ATOM 1200 C VAL A 72 5.934 0.747 -2.063 1.00 0.00 C ATOM 1201 O VAL A 72 6.391 -0.319 -1.646 1.00 0.00 O ATOM 1202 CB VAL A 72 3.486 0.574 -2.590 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.050 1.848 -1.867 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.496 0.269 -3.720 1.00 0.00 C ATOM 0 H VAL A 72 5.587 -1.127 -3.746 1.00 0.00 H new ATOM 0 HA VAL A 72 4.924 1.735 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 72 3.503 -0.257 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.052 1.707 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.751 2.067 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.035 2.679 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.499 0.131 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.482 1.100 -4.426 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.802 -0.641 -4.236 1.00 0.00 H new ATOM 1214 N ASN A 73 6.324 1.935 -1.603 1.00 0.00 N ATOM 1215 CA ASN A 73 7.338 2.051 -0.555 1.00 0.00 C ATOM 1216 C ASN A 73 7.088 3.265 0.337 1.00 0.00 C ATOM 1217 O ASN A 73 6.369 4.194 -0.035 1.00 0.00 O ATOM 1218 CB ASN A 73 8.722 2.173 -1.195 1.00 0.00 C ATOM 1219 CG ASN A 73 9.803 2.117 -0.120 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.942 3.049 0.672 1.00 0.00 O ATOM 1221 ND2 ASN A 73 10.584 1.074 -0.047 1.00 0.00 N ATOM 0 H ASN A 73 5.956 2.826 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 73 7.284 1.156 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.871 1.367 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.795 3.110 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.311 1.030 0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.467 0.303 -0.704 1.00 0.00 H new ATOM 1228 N PHE A 74 7.700 3.242 1.520 1.00 0.00 N ATOM 1229 CA PHE A 74 7.564 4.333 2.484 1.00 0.00 C ATOM 1230 C PHE A 74 8.887 4.543 3.218 1.00 0.00 C ATOM 1231 O PHE A 74 9.624 3.592 3.475 1.00 0.00 O ATOM 1232 CB PHE A 74 6.450 4.014 3.494 1.00 0.00 C ATOM 1233 CG PHE A 74 5.699 2.777 3.056 1.00 0.00 C ATOM 1234 CD1 PHE A 74 4.365 2.874 2.640 1.00 0.00 C ATOM 1235 CD2 PHE A 74 6.339 1.531 3.066 1.00 0.00 C ATOM 1236 CE1 PHE A 74 3.672 1.727 2.234 1.00 0.00 C ATOM 1237 CE2 PHE A 74 5.645 0.385 2.661 1.00 0.00 C ATOM 1238 CZ PHE A 74 4.311 0.482 2.244 1.00 0.00 C ATOM 0 H PHE A 74 8.297 2.477 1.835 1.00 0.00 H new ATOM 0 HA PHE A 74 7.302 5.246 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.878 3.859 4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.765 4.858 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.871 3.834 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.368 1.455 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.644 1.803 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.139 -0.576 2.670 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.777 -0.403 1.931 1.00 0.00 H new ATOM 1248 N VAL A 75 9.183 5.796 3.549 1.00 0.00 N ATOM 1249 CA VAL A 75 10.422 6.124 4.250 1.00 0.00 C ATOM 1250 C VAL A 75 10.186 7.270 5.225 1.00 0.00 C ATOM 1251 O VAL A 75 9.088 7.423 5.751 1.00 0.00 O ATOM 1252 CB VAL A 75 11.500 6.520 3.244 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.686 5.397 2.220 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.079 7.810 2.530 1.00 0.00 C ATOM 0 H VAL A 75 8.586 6.598 3.345 1.00 0.00 H new ATOM 0 HA VAL A 75 10.753 5.247 4.806 1.00 0.00 H new ATOM 0 HB VAL A 75 12.443 6.686 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.456 5.682 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.988 4.484 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.747 5.225 1.694 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.847 8.095 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.136 7.646 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.954 8.607 3.263 1.00 0.00 H new ATOM 1264 N ASN A 76 11.220 8.076 5.459 1.00 0.00 N ATOM 1265 CA ASN A 76 11.100 9.210 6.373 1.00 0.00 C ATOM 1266 C ASN A 76 11.367 10.521 5.653 1.00 0.00 C ATOM 1267 O ASN A 76 11.732 10.549 4.478 1.00 0.00 O ATOM 1268 CB ASN A 76 12.078 9.070 7.538 1.00 0.00 C ATOM 1269 CG ASN A 76 12.067 10.328 8.402 1.00 0.00 C ATOM 1270 OD1 ASN A 76 10.999 10.814 8.777 1.00 0.00 O ATOM 1271 ND2 ASN A 76 13.196 10.885 8.742 1.00 0.00 N ATOM 0 H ASN A 76 12.141 7.967 5.034 1.00 0.00 H new ATOM 0 HA ASN A 76 10.079 9.215 6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.810 8.204 8.143 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.084 8.893 7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.196 11.725 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.079 10.480 8.430 1.00 0.00 H new ATOM 1278 N GLU A 77 11.152 11.600 6.381 1.00 0.00 N ATOM 1279 CA GLU A 77 11.331 12.945 5.849 1.00 0.00 C ATOM 1280 C GLU A 77 12.550 13.038 4.941 1.00 0.00 C ATOM 1281 O GLU A 77 12.416 13.133 3.722 1.00 0.00 O ATOM 1282 CB GLU A 77 11.481 13.941 6.999 1.00 0.00 C ATOM 1283 CG GLU A 77 10.224 13.912 7.870 1.00 0.00 C ATOM 1284 CD GLU A 77 10.409 14.819 9.082 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.492 14.806 9.646 1.00 0.00 O ATOM 1286 OE2 GLU A 77 9.467 15.512 9.429 1.00 0.00 O ATOM 0 H GLU A 77 10.849 11.574 7.355 1.00 0.00 H new ATOM 0 HA GLU A 77 10.448 13.184 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.357 13.691 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.640 14.945 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.361 14.239 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.021 12.892 8.196 1.00 0.00 H new ATOM 1293 N GLN A 78 13.734 13.037 5.539 1.00 0.00 N ATOM 1294 CA GLN A 78 14.969 13.151 4.768 1.00 0.00 C ATOM 1295 C GLN A 78 15.005 12.138 3.633 1.00 0.00 C ATOM 1296 O GLN A 78 15.210 12.498 2.474 1.00 0.00 O ATOM 1297 CB GLN A 78 16.179 12.942 5.681 1.00 0.00 C ATOM 1298 CG GLN A 78 16.151 13.975 6.809 1.00 0.00 C ATOM 1299 CD GLN A 78 17.116 13.565 7.917 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.994 14.340 8.295 1.00 0.00 O ATOM 1301 NE2 GLN A 78 17.004 12.385 8.462 1.00 0.00 N ATOM 0 H GLN A 78 13.867 12.959 6.547 1.00 0.00 H new ATOM 0 HA GLN A 78 15.005 14.152 4.337 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.165 11.934 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.101 13.038 5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.425 14.956 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.141 14.061 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.275 11.745 8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.645 12.103 9.203 1.00 0.00 H new ATOM 1310 N ASP A 79 14.803 10.872 3.968 1.00 0.00 N ATOM 1311 CA ASP A 79 14.816 9.822 2.956 1.00 0.00 C ATOM 1312 C ASP A 79 13.922 10.215 1.783 1.00 0.00 C ATOM 1313 O ASP A 79 14.399 10.418 0.663 1.00 0.00 O ATOM 1314 CB ASP A 79 14.330 8.508 3.563 1.00 0.00 C ATOM 1315 CG ASP A 79 15.396 7.938 4.491 1.00 0.00 C ATOM 1316 OD1 ASP A 79 16.497 7.700 4.023 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.096 7.748 5.659 1.00 0.00 O ATOM 0 H ASP A 79 14.630 10.548 4.920 1.00 0.00 H new ATOM 0 HA ASP A 79 15.836 9.691 2.595 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.405 8.673 4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.105 7.793 2.771 1.00 0.00 H new ATOM 1322 N PHE A 80 12.626 10.343 2.047 1.00 0.00 N ATOM 1323 CA PHE A 80 11.681 10.736 1.010 1.00 0.00 C ATOM 1324 C PHE A 80 12.189 11.994 0.313 1.00 0.00 C ATOM 1325 O PHE A 80 12.042 12.154 -0.898 1.00 0.00 O ATOM 1326 CB PHE A 80 10.309 11.005 1.646 1.00 0.00 C ATOM 1327 CG PHE A 80 9.564 12.062 0.861 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.808 11.701 -0.261 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.626 13.403 1.260 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.116 12.681 -0.983 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.934 14.382 0.538 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.178 14.021 -0.584 1.00 0.00 C ATOM 0 H PHE A 80 12.209 10.181 2.964 1.00 0.00 H new ATOM 0 HA PHE A 80 11.584 9.935 0.277 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.726 10.084 1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.437 11.332 2.678 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.759 10.667 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.208 13.682 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.534 12.402 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.983 15.416 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.643 14.776 -1.141 1.00 0.00 H new ATOM 1342 N PHE A 81 12.786 12.884 1.100 1.00 0.00 N ATOM 1343 CA PHE A 81 13.316 14.131 0.570 1.00 0.00 C ATOM 1344 C PHE A 81 14.542 13.879 -0.298 1.00 0.00 C ATOM 1345 O PHE A 81 14.866 14.684 -1.172 1.00 0.00 O ATOM 1346 CB PHE A 81 13.698 15.072 1.716 1.00 0.00 C ATOM 1347 CG PHE A 81 13.814 16.479 1.180 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.009 16.905 0.587 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.724 17.353 1.265 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.114 18.207 0.081 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.829 18.654 0.761 1.00 0.00 C ATOM 1352 CZ PHE A 81 14.024 19.081 0.168 1.00 0.00 C ATOM 0 H PHE A 81 12.914 12.763 2.105 1.00 0.00 H new ATOM 0 HA PHE A 81 12.539 14.590 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 81 12.946 15.030 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 81 14.643 14.759 2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 81 15.849 16.230 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.802 17.023 1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 81 16.035 18.536 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.989 19.329 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.104 20.085 -0.222 1.00 0.00 H new ATOM 1362 N PHE A 82 15.225 12.760 -0.062 1.00 0.00 N ATOM 1363 CA PHE A 82 16.411 12.430 -0.843 1.00 0.00 C ATOM 1364 C PHE A 82 16.010 12.049 -2.259 1.00 0.00 C ATOM 1365 O PHE A 82 16.707 12.369 -3.222 1.00 0.00 O ATOM 1366 CB PHE A 82 17.163 11.268 -0.193 1.00 0.00 C ATOM 1367 CG PHE A 82 18.432 10.995 -0.964 1.00 0.00 C ATOM 1368 CD1 PHE A 82 18.425 10.072 -2.017 1.00 0.00 C ATOM 1369 CD2 PHE A 82 19.614 11.663 -0.626 1.00 0.00 C ATOM 1370 CE1 PHE A 82 19.602 9.818 -2.732 1.00 0.00 C ATOM 1371 CE2 PHE A 82 20.791 11.408 -1.341 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.785 10.486 -2.394 1.00 0.00 C ATOM 0 H PHE A 82 14.980 12.076 0.654 1.00 0.00 H new ATOM 0 HA PHE A 82 17.063 13.303 -0.876 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.399 11.508 0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.535 10.377 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 82 17.513 9.556 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 82 19.619 12.375 0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 82 19.597 9.107 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE A 82 21.704 11.923 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.693 10.290 -2.946 1.00 0.00 H new ATOM 1382 N ASN A 83 14.871 11.377 -2.378 1.00 0.00 N ATOM 1383 CA ASN A 83 14.374 10.971 -3.686 1.00 0.00 C ATOM 1384 C ASN A 83 13.830 12.187 -4.425 1.00 0.00 C ATOM 1385 O ASN A 83 14.079 12.369 -5.616 1.00 0.00 O ATOM 1386 CB ASN A 83 13.265 9.928 -3.527 1.00 0.00 C ATOM 1387 CG ASN A 83 12.823 9.428 -4.897 1.00 0.00 C ATOM 1388 OD1 ASN A 83 12.454 10.225 -5.761 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.837 8.148 -5.151 1.00 0.00 N ATOM 0 H ASN A 83 14.280 11.104 -1.593 1.00 0.00 H new ATOM 0 HA ASN A 83 15.193 10.534 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.622 9.094 -2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.417 10.364 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.542 7.806 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.143 7.489 -4.435 1.00 0.00 H new ATOM 1396 N LEU A 84 13.085 13.017 -3.701 1.00 0.00 N ATOM 1397 CA LEU A 84 12.500 14.217 -4.274 1.00 0.00 C ATOM 1398 C LEU A 84 13.585 15.257 -4.527 1.00 0.00 C ATOM 1399 O LEU A 84 13.389 16.205 -5.288 1.00 0.00 O ATOM 1400 CB LEU A 84 11.451 14.778 -3.305 1.00 0.00 C ATOM 1401 CG LEU A 84 10.937 16.136 -3.793 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.381 15.998 -5.214 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.823 16.614 -2.858 1.00 0.00 C ATOM 0 H LEU A 84 12.874 12.877 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 84 12.024 13.972 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.619 14.079 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.886 14.884 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 84 11.755 16.856 -3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.016 16.966 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.170 15.650 -5.881 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.561 15.280 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.452 17.580 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.008 15.890 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.215 16.712 -1.846 1.00 0.00 H new ATOM 1415 N ALA A 85 14.731 15.078 -3.877 1.00 0.00 N ATOM 1416 CA ALA A 85 15.836 16.015 -4.033 1.00 0.00 C ATOM 1417 C ALA A 85 16.798 15.559 -5.127 1.00 0.00 C ATOM 1418 O ALA A 85 17.591 16.352 -5.634 1.00 0.00 O ATOM 1419 CB ALA A 85 16.596 16.151 -2.712 1.00 0.00 C ATOM 0 H ALA A 85 14.917 14.301 -3.244 1.00 0.00 H new ATOM 0 HA ALA A 85 15.419 16.980 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.420 16.853 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.920 16.519 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.990 15.178 -2.417 1.00 0.00 H new ATOM 1425 N LYS A 86 16.738 14.278 -5.478 1.00 0.00 N ATOM 1426 CA LYS A 86 17.624 13.731 -6.503 1.00 0.00 C ATOM 1427 C LYS A 86 17.395 14.399 -7.858 1.00 0.00 C ATOM 1428 O LYS A 86 18.349 14.714 -8.568 1.00 0.00 O ATOM 1429 CB LYS A 86 17.394 12.225 -6.632 1.00 0.00 C ATOM 1430 CG LYS A 86 18.289 11.661 -7.738 1.00 0.00 C ATOM 1431 CD LYS A 86 18.328 10.134 -7.637 1.00 0.00 C ATOM 1432 CE LYS A 86 16.923 9.570 -7.855 1.00 0.00 C ATOM 1433 NZ LYS A 86 17.015 8.120 -8.188 1.00 0.00 N ATOM 0 H LYS A 86 16.090 13.603 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 86 18.652 13.928 -6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.614 11.731 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.347 12.025 -6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.910 11.962 -8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.296 12.068 -7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.014 9.728 -8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.704 9.833 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.320 9.710 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.425 10.108 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.060 7.737 -8.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.576 7.998 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.474 7.612 -7.405 1.00 0.00 H new