USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 98 SER OG : rot 180:sc= 0.0536 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 1.79 K(o=2.9,f=-4.5) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -149:sc= 1.13 (180deg=0) USER MOD Set 3.1: A 34 MET CE :methyl -111:sc= -0.23 (180deg=-0.747) USER MOD Set 3.2: A 43 MET CE :methyl -126:sc= -0.187 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 82:sc= 1.22 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 1.27 (180deg=1.22) USER MOD Single : A 50 SER OG : rot 76:sc= 0.029 USER MOD Single : A 51 HIS : no HD1:sc= 0.901 K(o=0.9,f=-4.2!) USER MOD Single : A 53 ASN : amide:sc= -0.0829 X(o=-0.083,f=-0.083) USER MOD Single : A 61 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 64 TYR OH : rot 66:sc= -0.315 USER MOD Single : A 66 SER OG : rot 68:sc= 0.138 USER MOD Single : A 68 THR OG1 : rot -167:sc= 0.993 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.11! C(o=-1.1!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.117 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 81:sc= 1.24 USER MOD Single : A 105 CYS SG : rot 76:sc= -1.3 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 4.019 -3.959 -6.817 1.00 0.00 N ATOM 2 CA GLY A -2 2.982 -4.181 -5.780 1.00 0.00 C ATOM 3 C GLY A -2 3.543 -3.973 -4.373 1.00 0.00 C ATOM 4 O GLY A -2 4.527 -4.611 -3.992 1.00 0.00 O ATOM 0 H1 GLY A -2 3.605 -4.108 -7.759 1.00 0.00 H new ATOM 0 H2 GLY A -2 4.378 -2.985 -6.747 1.00 0.00 H new ATOM 0 H3 GLY A -2 4.802 -4.628 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A -2 2.149 -3.498 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.587 -5.193 -5.870 1.00 0.00 H new ATOM 10 N HIS A -1 2.932 -3.073 -3.587 1.00 0.00 N ATOM 11 CA HIS A -1 3.418 -2.746 -2.238 1.00 0.00 C ATOM 12 C HIS A -1 3.128 -3.863 -1.235 1.00 0.00 C ATOM 13 O HIS A -1 3.933 -4.118 -0.335 1.00 0.00 O ATOM 14 CB HIS A -1 2.797 -1.431 -1.746 1.00 0.00 C ATOM 15 CG HIS A -1 3.218 -0.231 -2.564 1.00 0.00 C ATOM 16 ND1 HIS A -1 4.513 0.304 -2.623 1.00 0.00 N ATOM 17 CD2 HIS A -1 2.396 0.505 -3.372 1.00 0.00 C ATOM 18 CE1 HIS A -1 4.435 1.349 -3.470 1.00 0.00 C ATOM 19 NE2 HIS A -1 3.178 1.494 -3.929 1.00 0.00 N ATOM 0 H HIS A -1 2.097 -2.557 -3.864 1.00 0.00 H new ATOM 0 HA HIS A -1 4.500 -2.633 -2.307 1.00 0.00 H new ATOM 0 HB2 HIS A -1 1.711 -1.517 -1.772 1.00 0.00 H new ATOM 0 HB3 HIS A -1 3.079 -1.270 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A -1 1.342 0.343 -3.541 1.00 0.00 H new ATOM 0 HE1 HIS A -1 5.266 1.983 -3.743 1.00 0.00 H new ATOM 0 HE2 HIS A -1 2.859 2.213 -4.578 1.00 0.00 H new ATOM 27 N MET A 34 1.975 -4.517 -1.380 1.00 0.00 N ATOM 28 CA MET A 34 1.578 -5.637 -0.529 1.00 0.00 C ATOM 29 C MET A 34 2.435 -6.876 -0.844 1.00 0.00 C ATOM 30 O MET A 34 2.863 -7.068 -1.987 1.00 0.00 O ATOM 31 CB MET A 34 0.090 -5.955 -0.751 1.00 0.00 C ATOM 32 CG MET A 34 -0.884 -4.833 -0.360 1.00 0.00 C ATOM 33 SD MET A 34 -1.563 -3.874 -1.753 1.00 0.00 S ATOM 34 CE MET A 34 -3.200 -4.646 -1.995 1.00 0.00 C ATOM 0 H MET A 34 1.287 -4.282 -2.096 1.00 0.00 H new ATOM 0 HA MET A 34 1.734 -5.362 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 34 -0.061 -6.195 -1.804 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.163 -6.849 -0.181 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.712 -5.271 0.197 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.372 -4.148 0.316 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.209 -5.192 -2.938 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.402 -5.335 -1.175 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.968 -3.872 -2.016 1.00 0.00 H new ATOM 44 N LEU A 35 2.657 -7.733 0.161 1.00 0.00 N ATOM 45 CA LEU A 35 3.262 -9.066 -0.024 1.00 0.00 C ATOM 46 C LEU A 35 2.214 -9.982 -0.670 1.00 0.00 C ATOM 47 O LEU A 35 1.043 -9.629 -0.637 1.00 0.00 O ATOM 48 CB LEU A 35 3.724 -9.637 1.335 1.00 0.00 C ATOM 49 CG LEU A 35 4.734 -8.757 2.107 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.121 -9.447 3.418 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.994 -8.443 1.295 1.00 0.00 C ATOM 0 H LEU A 35 2.422 -7.524 1.131 1.00 0.00 H new ATOM 0 HA LEU A 35 4.138 -8.996 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.847 -9.793 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.173 -10.616 1.167 1.00 0.00 H new ATOM 0 HG LEU A 35 4.241 -7.806 2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.833 -8.825 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.230 -9.595 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.576 -10.413 3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.665 -7.823 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.498 -9.373 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.717 -7.910 0.385 1.00 0.00 H new ATOM 63 N GLU A 36 2.568 -11.152 -1.216 1.00 0.00 N ATOM 64 CA GLU A 36 1.630 -11.938 -2.030 1.00 0.00 C ATOM 65 C GLU A 36 0.359 -12.289 -1.263 1.00 0.00 C ATOM 66 O GLU A 36 -0.737 -11.938 -1.695 1.00 0.00 O ATOM 67 CB GLU A 36 2.314 -13.193 -2.610 1.00 0.00 C ATOM 68 CG GLU A 36 1.374 -14.011 -3.511 1.00 0.00 C ATOM 69 CD GLU A 36 2.134 -15.151 -4.215 1.00 0.00 C ATOM 70 OE1 GLU A 36 2.231 -16.267 -3.648 1.00 0.00 O ATOM 71 OE2 GLU A 36 2.639 -14.939 -5.344 1.00 0.00 O ATOM 0 H GLU A 36 3.491 -11.574 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 36 1.324 -11.311 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.191 -12.893 -3.183 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.667 -13.822 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.562 -14.426 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.920 -13.358 -4.256 1.00 0.00 H new ATOM 78 N ALA A 37 0.496 -12.951 -0.116 1.00 0.00 N ATOM 79 CA ALA A 37 -0.678 -13.405 0.628 1.00 0.00 C ATOM 80 C ALA A 37 -1.468 -12.212 1.181 1.00 0.00 C ATOM 81 O ALA A 37 -2.699 -12.240 1.210 1.00 0.00 O ATOM 82 CB ALA A 37 -0.283 -14.385 1.734 1.00 0.00 C ATOM 0 H ALA A 37 1.392 -13.182 0.313 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.332 -13.941 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.175 -14.706 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.207 -15.253 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.401 -13.895 2.427 1.00 0.00 H new ATOM 88 N ASP A 38 -0.765 -11.147 1.581 1.00 0.00 N ATOM 89 CA ASP A 38 -1.376 -9.919 2.091 1.00 0.00 C ATOM 90 C ASP A 38 -2.172 -9.204 0.996 1.00 0.00 C ATOM 91 O ASP A 38 -3.298 -8.765 1.236 1.00 0.00 O ATOM 92 CB ASP A 38 -0.280 -9.004 2.649 1.00 0.00 C ATOM 93 CG ASP A 38 -0.868 -7.687 3.176 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.637 -7.731 4.165 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.561 -6.611 2.612 1.00 0.00 O ATOM 0 H ASP A 38 0.254 -11.115 1.559 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.074 -10.175 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.250 -9.516 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.452 -8.792 1.869 1.00 0.00 H new ATOM 100 N LEU A 39 -1.621 -9.147 -0.224 1.00 0.00 N ATOM 101 CA LEU A 39 -2.222 -8.541 -1.405 1.00 0.00 C ATOM 102 C LEU A 39 -3.543 -9.220 -1.659 1.00 0.00 C ATOM 103 O LEU A 39 -4.583 -8.566 -1.658 1.00 0.00 O ATOM 104 CB LEU A 39 -1.285 -8.685 -2.632 1.00 0.00 C ATOM 105 CG LEU A 39 -1.785 -7.998 -3.922 1.00 0.00 C ATOM 106 CD1 LEU A 39 -0.593 -7.543 -4.771 1.00 0.00 C ATOM 107 CD2 LEU A 39 -2.663 -8.903 -4.800 1.00 0.00 C ATOM 0 H LEU A 39 -0.701 -9.543 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.378 -7.475 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.309 -8.274 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.140 -9.746 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.391 -7.155 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.956 -7.060 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.011 -6.837 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.014 -8.408 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.977 -8.354 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.093 -9.783 -5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.542 -9.215 -4.236 1.00 0.00 H new ATOM 119 N VAL A 40 -3.503 -10.532 -1.868 1.00 0.00 N ATOM 120 CA VAL A 40 -4.683 -11.243 -2.315 1.00 0.00 C ATOM 121 C VAL A 40 -5.757 -11.176 -1.224 1.00 0.00 C ATOM 122 O VAL A 40 -6.911 -10.922 -1.550 1.00 0.00 O ATOM 123 CB VAL A 40 -4.315 -12.654 -2.818 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.251 -12.569 -3.928 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.808 -13.595 -1.719 1.00 0.00 C ATOM 0 H VAL A 40 -2.675 -11.113 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.126 -10.765 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.244 -13.077 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.003 -13.573 -4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.641 -11.986 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.355 -12.087 -3.537 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.571 -14.566 -2.153 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.913 -13.173 -1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.580 -13.716 -0.959 1.00 0.00 H new ATOM 135 N SER A 41 -5.382 -11.262 0.056 1.00 0.00 N ATOM 136 CA SER A 41 -6.328 -11.184 1.172 1.00 0.00 C ATOM 137 C SER A 41 -6.970 -9.795 1.297 1.00 0.00 C ATOM 138 O SER A 41 -8.190 -9.717 1.414 1.00 0.00 O ATOM 139 CB SER A 41 -5.641 -11.593 2.482 1.00 0.00 C ATOM 140 OG SER A 41 -5.095 -12.897 2.363 1.00 0.00 O ATOM 0 H SER A 41 -4.413 -11.388 0.347 1.00 0.00 H new ATOM 0 HA SER A 41 -7.137 -11.885 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.852 -10.881 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.359 -11.565 3.302 1.00 0.00 H new ATOM 0 HG SER A 41 -4.228 -12.848 1.909 1.00 0.00 H new ATOM 146 N LYS A 42 -6.213 -8.694 1.235 1.00 0.00 N ATOM 147 CA LYS A 42 -6.799 -7.345 1.328 1.00 0.00 C ATOM 148 C LYS A 42 -7.661 -7.057 0.102 1.00 0.00 C ATOM 149 O LYS A 42 -8.738 -6.488 0.251 1.00 0.00 O ATOM 150 CB LYS A 42 -5.697 -6.284 1.480 1.00 0.00 C ATOM 151 CG LYS A 42 -5.219 -6.197 2.942 1.00 0.00 C ATOM 152 CD LYS A 42 -4.109 -5.144 3.101 1.00 0.00 C ATOM 153 CE LYS A 42 -3.790 -4.801 4.569 1.00 0.00 C ATOM 154 NZ LYS A 42 -3.380 -5.978 5.379 1.00 0.00 N ATOM 0 H LYS A 42 -5.199 -8.706 1.122 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.433 -7.303 2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.856 -6.531 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.074 -5.313 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.060 -5.944 3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.850 -7.170 3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.203 -5.507 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.406 -4.234 2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.994 -4.057 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.668 -4.344 5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.852 -5.657 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.226 -6.502 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.775 -6.600 4.806 1.00 0.00 H new ATOM 168 N MET A 43 -7.240 -7.481 -1.089 1.00 0.00 N ATOM 169 CA MET A 43 -8.007 -7.262 -2.316 1.00 0.00 C ATOM 170 C MET A 43 -9.316 -8.053 -2.263 1.00 0.00 C ATOM 171 O MET A 43 -10.384 -7.484 -2.467 1.00 0.00 O ATOM 172 CB MET A 43 -7.166 -7.679 -3.525 1.00 0.00 C ATOM 173 CG MET A 43 -5.902 -6.828 -3.729 1.00 0.00 C ATOM 174 SD MET A 43 -6.130 -5.287 -4.643 1.00 0.00 S ATOM 175 CE MET A 43 -4.499 -5.192 -5.431 1.00 0.00 C ATOM 0 H MET A 43 -6.363 -7.983 -1.231 1.00 0.00 H new ATOM 0 HA MET A 43 -8.253 -6.204 -2.410 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.874 -8.723 -3.409 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.782 -7.618 -4.422 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.486 -6.590 -2.750 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.161 -7.432 -4.252 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.042 -4.228 -5.207 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.864 -5.991 -5.050 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.609 -5.300 -6.510 1.00 0.00 H new ATOM 185 N LEU A 44 -9.246 -9.344 -1.911 1.00 0.00 N ATOM 186 CA LEU A 44 -10.389 -10.213 -1.642 1.00 0.00 C ATOM 187 C LEU A 44 -11.368 -9.498 -0.719 1.00 0.00 C ATOM 188 O LEU A 44 -12.521 -9.263 -1.067 1.00 0.00 O ATOM 189 CB LEU A 44 -9.846 -11.511 -0.996 1.00 0.00 C ATOM 190 CG LEU A 44 -10.886 -12.441 -0.364 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.657 -13.166 -1.456 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.214 -13.463 0.550 1.00 0.00 C ATOM 0 H LEU A 44 -8.354 -9.826 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.925 -10.460 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.304 -12.071 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.123 -11.235 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.571 -11.838 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.396 -13.827 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.162 -12.437 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.966 -13.755 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.971 -14.113 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.512 -14.063 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.678 -12.944 1.345 1.00 0.00 H new ATOM 204 N ARG A 45 -10.871 -9.110 0.453 1.00 0.00 N ATOM 205 CA ARG A 45 -11.617 -8.380 1.463 1.00 0.00 C ATOM 206 C ARG A 45 -12.267 -7.141 0.877 1.00 0.00 C ATOM 207 O ARG A 45 -13.438 -6.908 1.145 1.00 0.00 O ATOM 208 CB ARG A 45 -10.637 -8.097 2.609 1.00 0.00 C ATOM 209 CG ARG A 45 -11.048 -7.002 3.588 1.00 0.00 C ATOM 210 CD ARG A 45 -10.509 -5.607 3.225 1.00 0.00 C ATOM 211 NE ARG A 45 -10.359 -4.846 4.466 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.187 -3.539 4.660 1.00 0.00 C ATOM 213 NH1 ARG A 45 -9.994 -2.703 3.641 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.214 -3.107 5.909 1.00 0.00 N ATOM 0 H ARG A 45 -9.908 -9.303 0.730 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.456 -8.958 1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.488 -9.020 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.673 -7.827 2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.136 -6.960 3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.696 -7.269 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.552 -5.690 2.710 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.193 -5.098 2.546 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.391 -5.405 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.975 -3.059 2.685 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.865 -1.707 3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.362 -3.766 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.087 -2.115 6.108 1.00 0.00 H new ATOM 228 N ALA A 46 -11.549 -6.349 0.085 1.00 0.00 N ATOM 229 CA ALA A 46 -12.098 -5.107 -0.420 1.00 0.00 C ATOM 230 C ALA A 46 -13.265 -5.363 -1.369 1.00 0.00 C ATOM 231 O ALA A 46 -14.292 -4.698 -1.245 1.00 0.00 O ATOM 232 CB ALA A 46 -10.995 -4.280 -1.094 1.00 0.00 C ATOM 0 H ALA A 46 -10.595 -6.548 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.490 -4.534 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.417 -3.348 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.213 -4.057 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.570 -4.847 -1.923 1.00 0.00 H new ATOM 238 N VAL A 47 -13.151 -6.355 -2.261 1.00 0.00 N ATOM 239 CA VAL A 47 -14.255 -6.725 -3.143 1.00 0.00 C ATOM 240 C VAL A 47 -15.451 -7.135 -2.280 1.00 0.00 C ATOM 241 O VAL A 47 -16.571 -6.688 -2.509 1.00 0.00 O ATOM 242 CB VAL A 47 -13.822 -7.843 -4.111 1.00 0.00 C ATOM 243 CG1 VAL A 47 -14.975 -8.347 -4.979 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.724 -7.335 -5.052 1.00 0.00 C ATOM 0 H VAL A 47 -12.306 -6.912 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.548 -5.877 -3.761 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.463 -8.662 -3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.614 -9.133 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.764 -8.744 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.369 -7.523 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.427 -8.135 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.101 -6.491 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.861 -7.017 -4.466 1.00 0.00 H new ATOM 254 N LEU A 48 -15.207 -7.941 -1.245 1.00 0.00 N ATOM 255 CA LEU A 48 -16.261 -8.429 -0.369 1.00 0.00 C ATOM 256 C LEU A 48 -16.936 -7.286 0.396 1.00 0.00 C ATOM 257 O LEU A 48 -18.145 -7.343 0.608 1.00 0.00 O ATOM 258 CB LEU A 48 -15.661 -9.441 0.614 1.00 0.00 C ATOM 259 CG LEU A 48 -15.195 -10.735 -0.063 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.234 -11.441 0.880 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.376 -11.660 -0.330 1.00 0.00 C ATOM 0 H LEU A 48 -14.274 -8.270 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.027 -8.907 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.816 -8.982 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.403 -9.683 1.375 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.717 -10.492 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.887 -12.367 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.380 -10.794 1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.744 -11.669 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.022 -12.572 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.862 -11.912 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.090 -11.159 -0.983 1.00 0.00 H new ATOM 273 N GLN A 49 -16.184 -6.258 0.815 1.00 0.00 N ATOM 274 CA GLN A 49 -16.747 -5.113 1.524 1.00 0.00 C ATOM 275 C GLN A 49 -17.638 -4.289 0.586 1.00 0.00 C ATOM 276 O GLN A 49 -18.709 -3.853 1.014 1.00 0.00 O ATOM 277 CB GLN A 49 -15.638 -4.232 2.138 1.00 0.00 C ATOM 278 CG GLN A 49 -14.963 -4.819 3.395 1.00 0.00 C ATOM 279 CD GLN A 49 -15.873 -4.913 4.632 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.062 -4.598 4.596 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.342 -5.360 5.759 1.00 0.00 N ATOM 0 H GLN A 49 -15.176 -6.202 0.671 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.359 -5.492 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.873 -4.056 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.064 -3.261 2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.591 -5.816 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.097 -4.206 3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.357 -5.621 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.918 -5.443 6.597 1.00 0.00 H new ATOM 290 N SER A 50 -17.250 -4.103 -0.680 1.00 0.00 N ATOM 291 CA SER A 50 -18.096 -3.444 -1.674 1.00 0.00 C ATOM 292 C SER A 50 -19.363 -4.264 -1.957 1.00 0.00 C ATOM 293 O SER A 50 -20.442 -3.694 -2.139 1.00 0.00 O ATOM 294 CB SER A 50 -17.305 -3.241 -2.971 1.00 0.00 C ATOM 295 OG SER A 50 -16.144 -2.455 -2.726 1.00 0.00 O ATOM 0 H SER A 50 -16.345 -4.404 -1.041 1.00 0.00 H new ATOM 0 HA SER A 50 -18.402 -2.477 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.017 -4.208 -3.384 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.933 -2.751 -3.715 1.00 0.00 H new ATOM 0 HG SER A 50 -15.464 -3.005 -2.284 1.00 0.00 H new ATOM 301 N HIS A 51 -19.251 -5.598 -1.949 1.00 0.00 N ATOM 302 CA HIS A 51 -20.291 -6.507 -2.410 1.00 0.00 C ATOM 303 C HIS A 51 -21.028 -7.108 -1.210 1.00 0.00 C ATOM 304 O HIS A 51 -20.979 -8.314 -0.969 1.00 0.00 O ATOM 305 CB HIS A 51 -19.681 -7.559 -3.355 1.00 0.00 C ATOM 306 CG HIS A 51 -19.135 -6.993 -4.650 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.940 -5.642 -4.979 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.748 -7.753 -5.713 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.439 -5.638 -6.228 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.329 -6.890 -6.697 1.00 0.00 N ATOM 0 H HIS A 51 -18.416 -6.079 -1.614 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.041 -5.969 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.878 -8.078 -2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.442 -8.304 -3.590 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.767 -8.831 -5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.164 -4.750 -6.777 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.993 -7.155 -7.623 1.00 0.00 H new ATOM 318 N LYS A 52 -21.726 -6.266 -0.433 1.00 0.00 N ATOM 319 CA LYS A 52 -22.433 -6.673 0.795 1.00 0.00 C ATOM 320 C LYS A 52 -23.474 -7.776 0.578 1.00 0.00 C ATOM 321 O LYS A 52 -23.764 -8.521 1.512 1.00 0.00 O ATOM 322 CB LYS A 52 -23.123 -5.459 1.445 1.00 0.00 C ATOM 323 CG LYS A 52 -22.161 -4.418 2.028 1.00 0.00 C ATOM 324 CD LYS A 52 -21.297 -4.973 3.171 1.00 0.00 C ATOM 325 CE LYS A 52 -20.672 -3.775 3.913 1.00 0.00 C ATOM 326 NZ LYS A 52 -19.826 -4.168 5.072 1.00 0.00 N ATOM 0 H LYS A 52 -21.818 -5.272 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.664 -7.082 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.755 -4.975 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.780 -5.813 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.511 -4.048 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.734 -3.566 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.903 -5.571 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.519 -5.628 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.068 -3.199 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.469 -3.118 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -19.869 -3.427 5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -20.175 -5.064 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.842 -4.288 4.758 1.00 0.00 H new ATOM 340 N ASN A 53 -24.023 -7.901 -0.636 1.00 0.00 N ATOM 341 CA ASN A 53 -24.958 -8.979 -0.991 1.00 0.00 C ATOM 342 C ASN A 53 -24.289 -10.364 -0.964 1.00 0.00 C ATOM 343 O ASN A 53 -24.982 -11.382 -1.003 1.00 0.00 O ATOM 344 CB ASN A 53 -25.560 -8.686 -2.377 1.00 0.00 C ATOM 345 CG ASN A 53 -26.639 -9.694 -2.777 1.00 0.00 C ATOM 346 OD1 ASN A 53 -26.452 -10.506 -3.677 1.00 0.00 O ATOM 347 ND2 ASN A 53 -27.794 -9.669 -2.124 1.00 0.00 N ATOM 0 H ASN A 53 -23.832 -7.256 -1.403 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.750 -9.006 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.987 -7.683 -2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.765 -8.695 -3.123 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -28.533 -10.328 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -27.943 -8.991 -1.377 1.00 0.00 H new ATOM 354 N GLY A 54 -22.957 -10.417 -0.875 1.00 0.00 N ATOM 355 CA GLY A 54 -22.173 -11.631 -0.968 1.00 0.00 C ATOM 356 C GLY A 54 -21.939 -12.010 -2.424 1.00 0.00 C ATOM 357 O GLY A 54 -22.571 -11.478 -3.341 1.00 0.00 O ATOM 0 H GLY A 54 -22.386 -9.584 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.216 -11.491 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.688 -12.443 -0.454 1.00 0.00 H new ATOM 361 N ILE A 55 -21.008 -12.939 -2.635 1.00 0.00 N ATOM 362 CA ILE A 55 -20.606 -13.412 -3.954 1.00 0.00 C ATOM 363 C ILE A 55 -20.342 -14.904 -3.831 1.00 0.00 C ATOM 364 O ILE A 55 -19.580 -15.319 -2.969 1.00 0.00 O ATOM 365 CB ILE A 55 -19.393 -12.597 -4.503 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.386 -12.099 -3.434 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.871 -11.381 -5.304 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.291 -11.147 -3.954 1.00 0.00 C ATOM 0 H ILE A 55 -20.502 -13.393 -1.874 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.392 -13.255 -4.693 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.862 -13.313 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.941 -11.592 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.905 -12.965 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.008 -10.829 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.478 -11.715 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.467 -10.733 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.639 -10.857 -3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.703 -11.652 -4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.755 -10.257 -4.380 1.00 0.00 H new ATOM 380 N VAL A 56 -21.028 -15.708 -4.642 1.00 0.00 N ATOM 381 CA VAL A 56 -20.864 -17.164 -4.696 1.00 0.00 C ATOM 382 C VAL A 56 -19.419 -17.499 -5.068 1.00 0.00 C ATOM 383 O VAL A 56 -18.831 -16.743 -5.828 1.00 0.00 O ATOM 384 CB VAL A 56 -21.889 -17.760 -5.686 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.317 -17.648 -5.134 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.848 -17.134 -7.091 1.00 0.00 C ATOM 0 H VAL A 56 -21.730 -15.360 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.059 -17.611 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.599 -18.805 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.019 -18.075 -5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.386 -18.190 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.562 -16.599 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.598 -17.609 -7.723 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.057 -16.066 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.860 -17.282 -7.527 1.00 0.00 H new ATOM 396 N LEU A 57 -18.834 -18.607 -4.599 1.00 0.00 N ATOM 397 CA LEU A 57 -17.401 -18.900 -4.810 1.00 0.00 C ATOM 398 C LEU A 57 -16.846 -18.723 -6.249 1.00 0.00 C ATOM 399 O LEU A 57 -15.721 -18.231 -6.345 1.00 0.00 O ATOM 400 CB LEU A 57 -16.923 -20.208 -4.147 1.00 0.00 C ATOM 401 CG LEU A 57 -17.282 -21.533 -4.858 1.00 0.00 C ATOM 402 CD1 LEU A 57 -16.522 -22.695 -4.211 1.00 0.00 C ATOM 403 CD2 LEU A 57 -18.778 -21.882 -4.820 1.00 0.00 C ATOM 0 H LEU A 57 -19.329 -19.323 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.937 -18.077 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.838 -20.160 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.333 -20.244 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.000 -21.385 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.780 -23.625 -4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.449 -22.521 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -16.795 -22.767 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -18.945 -22.825 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.103 -21.977 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -19.348 -21.092 -5.309 1.00 0.00 H new ATOM 415 N PRO A 58 -17.537 -19.021 -7.377 1.00 0.00 N ATOM 416 CA PRO A 58 -16.981 -18.696 -8.691 1.00 0.00 C ATOM 417 C PRO A 58 -17.050 -17.191 -8.983 1.00 0.00 C ATOM 418 O PRO A 58 -16.098 -16.605 -9.489 1.00 0.00 O ATOM 419 CB PRO A 58 -17.792 -19.520 -9.698 1.00 0.00 C ATOM 420 CG PRO A 58 -19.142 -19.704 -9.015 1.00 0.00 C ATOM 421 CD PRO A 58 -18.762 -19.796 -7.538 1.00 0.00 C ATOM 0 HA PRO A 58 -15.921 -18.942 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.893 -19.000 -10.651 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.316 -20.478 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.812 -18.866 -9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.650 -20.605 -9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.558 -19.400 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.607 -20.833 -7.241 1.00 0.00 H new ATOM 429 N ARG A 59 -18.150 -16.528 -8.597 1.00 0.00 N ATOM 430 CA ARG A 59 -18.304 -15.074 -8.698 1.00 0.00 C ATOM 431 C ARG A 59 -17.281 -14.374 -7.809 1.00 0.00 C ATOM 432 O ARG A 59 -16.812 -13.298 -8.164 1.00 0.00 O ATOM 433 CB ARG A 59 -19.758 -14.700 -8.333 1.00 0.00 C ATOM 434 CG ARG A 59 -20.096 -13.237 -8.647 1.00 0.00 C ATOM 435 CD ARG A 59 -21.568 -12.902 -8.366 1.00 0.00 C ATOM 436 NE ARG A 59 -21.856 -11.492 -8.703 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.038 -10.871 -8.560 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.102 -11.531 -8.110 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.143 -9.582 -8.872 1.00 0.00 N ATOM 0 H ARG A 59 -18.966 -16.995 -8.201 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.114 -14.740 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.443 -15.350 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -19.919 -14.885 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.458 -12.584 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.873 -13.032 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.213 -13.560 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.793 -13.083 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.085 -10.939 -9.079 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.025 -12.519 -7.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -24.995 -11.049 -8.005 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.329 -9.073 -9.217 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.037 -9.103 -8.766 1.00 0.00 H new ATOM 453 N LEU A 60 -16.905 -14.990 -6.683 1.00 0.00 N ATOM 454 CA LEU A 60 -15.860 -14.493 -5.803 1.00 0.00 C ATOM 455 C LEU A 60 -14.570 -14.374 -6.607 1.00 0.00 C ATOM 456 O LEU A 60 -14.008 -13.286 -6.638 1.00 0.00 O ATOM 457 CB LEU A 60 -15.725 -15.405 -4.556 1.00 0.00 C ATOM 458 CG LEU A 60 -14.690 -14.986 -3.494 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.269 -15.370 -3.889 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.761 -13.498 -3.161 1.00 0.00 C ATOM 0 H LEU A 60 -17.329 -15.860 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.109 -13.503 -5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.700 -15.466 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.474 -16.410 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.954 -15.542 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.576 -15.054 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.206 -16.451 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.007 -14.880 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.011 -13.257 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.571 -12.914 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.752 -13.258 -2.775 1.00 0.00 H new ATOM 472 N GLN A 61 -14.137 -15.439 -7.300 1.00 0.00 N ATOM 473 CA GLN A 61 -12.960 -15.372 -8.171 1.00 0.00 C ATOM 474 C GLN A 61 -13.148 -14.320 -9.267 1.00 0.00 C ATOM 475 O GLN A 61 -12.206 -13.584 -9.540 1.00 0.00 O ATOM 476 CB GLN A 61 -12.637 -16.726 -8.826 1.00 0.00 C ATOM 477 CG GLN A 61 -11.810 -17.673 -7.947 1.00 0.00 C ATOM 478 CD GLN A 61 -11.315 -18.864 -8.781 1.00 0.00 C ATOM 479 OE1 GLN A 61 -12.106 -19.702 -9.200 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.013 -18.984 -9.050 1.00 0.00 N ATOM 0 H GLN A 61 -14.586 -16.354 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.123 -15.093 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.572 -17.220 -9.092 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.096 -16.547 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.961 -17.139 -7.521 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.414 -18.029 -7.112 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.354 -18.288 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.677 -19.772 -9.604 1.00 0.00 H new ATOM 489 N GLY A 62 -14.329 -14.239 -9.887 1.00 0.00 N ATOM 490 CA GLY A 62 -14.595 -13.292 -10.963 1.00 0.00 C ATOM 491 C GLY A 62 -14.353 -11.850 -10.507 1.00 0.00 C ATOM 492 O GLY A 62 -13.525 -11.145 -11.085 1.00 0.00 O ATOM 0 H GLY A 62 -15.126 -14.831 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.955 -13.518 -11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.626 -13.401 -11.300 1.00 0.00 H new ATOM 496 N GLU A 63 -15.034 -11.424 -9.442 1.00 0.00 N ATOM 497 CA GLU A 63 -14.969 -10.042 -8.968 1.00 0.00 C ATOM 498 C GLU A 63 -13.603 -9.741 -8.340 1.00 0.00 C ATOM 499 O GLU A 63 -13.053 -8.655 -8.541 1.00 0.00 O ATOM 500 CB GLU A 63 -16.113 -9.788 -7.979 1.00 0.00 C ATOM 501 CG GLU A 63 -17.498 -9.876 -8.635 1.00 0.00 C ATOM 502 CD GLU A 63 -17.703 -8.788 -9.705 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.655 -7.587 -9.350 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.914 -9.130 -10.892 1.00 0.00 O ATOM 0 H GLU A 63 -15.643 -12.025 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.085 -9.366 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.054 -10.514 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.989 -8.801 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.621 -10.859 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.268 -9.780 -7.869 1.00 0.00 H new ATOM 511 N TYR A 64 -13.021 -10.724 -7.639 1.00 0.00 N ATOM 512 CA TYR A 64 -11.641 -10.667 -7.169 1.00 0.00 C ATOM 513 C TYR A 64 -10.733 -10.316 -8.344 1.00 0.00 C ATOM 514 O TYR A 64 -10.006 -9.327 -8.275 1.00 0.00 O ATOM 515 CB TYR A 64 -11.257 -12.009 -6.528 1.00 0.00 C ATOM 516 CG TYR A 64 -9.779 -12.213 -6.287 1.00 0.00 C ATOM 517 CD1 TYR A 64 -8.968 -12.710 -7.324 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.211 -11.915 -5.035 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.599 -12.903 -7.109 1.00 0.00 C ATOM 520 CE2 TYR A 64 -7.840 -12.124 -4.816 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.030 -12.614 -5.859 1.00 0.00 C ATOM 522 OH TYR A 64 -5.702 -12.814 -5.678 1.00 0.00 O ATOM 0 H TYR A 64 -13.504 -11.585 -7.383 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.527 -9.896 -6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.779 -12.100 -5.576 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.618 -12.814 -7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.402 -12.942 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.830 -11.525 -4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.977 -13.276 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.407 -11.910 -3.850 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.198 -12.192 -6.243 1.00 0.00 H new ATOM 532 N ARG A 65 -10.824 -11.074 -9.439 1.00 0.00 N ATOM 533 CA ARG A 65 -9.941 -10.917 -10.586 1.00 0.00 C ATOM 534 C ARG A 65 -10.196 -9.596 -11.296 1.00 0.00 C ATOM 535 O ARG A 65 -9.250 -9.063 -11.877 1.00 0.00 O ATOM 536 CB ARG A 65 -10.080 -12.143 -11.504 1.00 0.00 C ATOM 537 CG ARG A 65 -9.006 -12.245 -12.609 1.00 0.00 C ATOM 538 CD ARG A 65 -9.514 -11.976 -14.030 1.00 0.00 C ATOM 539 NE ARG A 65 -9.578 -10.539 -14.299 1.00 0.00 N ATOM 540 CZ ARG A 65 -9.979 -9.938 -15.428 1.00 0.00 C ATOM 541 NH1 ARG A 65 -10.426 -10.656 -16.457 1.00 0.00 N ATOM 542 NH2 ARG A 65 -9.924 -8.610 -15.517 1.00 0.00 N ATOM 0 H ARG A 65 -11.516 -11.815 -9.551 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.903 -10.873 -10.255 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.040 -13.044 -10.893 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.064 -12.119 -11.973 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.207 -11.539 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.568 -13.243 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.855 -12.456 -14.753 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.502 -12.418 -14.157 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.284 -9.924 -13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.466 -11.673 -16.390 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.729 -10.189 -17.312 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.579 -8.060 -14.730 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.227 -8.143 -16.372 1.00 0.00 H new ATOM 556 N SER A 66 -11.410 -9.047 -11.262 1.00 0.00 N ATOM 557 CA SER A 66 -11.648 -7.694 -11.752 1.00 0.00 C ATOM 558 C SER A 66 -10.801 -6.680 -10.968 1.00 0.00 C ATOM 559 O SER A 66 -10.256 -5.759 -11.583 1.00 0.00 O ATOM 560 CB SER A 66 -13.139 -7.333 -11.678 1.00 0.00 C ATOM 561 OG SER A 66 -13.925 -8.285 -12.381 1.00 0.00 O ATOM 0 H SER A 66 -12.240 -9.518 -10.901 1.00 0.00 H new ATOM 0 HA SER A 66 -11.348 -7.656 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.456 -7.291 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.299 -6.341 -12.100 1.00 0.00 H new ATOM 0 HG SER A 66 -13.889 -9.147 -11.916 1.00 0.00 H new ATOM 567 N LEU A 67 -10.661 -6.838 -9.642 1.00 0.00 N ATOM 568 CA LEU A 67 -9.834 -5.924 -8.850 1.00 0.00 C ATOM 569 C LEU A 67 -8.332 -6.217 -8.997 1.00 0.00 C ATOM 570 O LEU A 67 -7.564 -5.301 -9.302 1.00 0.00 O ATOM 571 CB LEU A 67 -10.250 -5.964 -7.367 1.00 0.00 C ATOM 572 CG LEU A 67 -9.441 -4.979 -6.490 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.600 -3.514 -6.924 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.881 -5.103 -5.028 1.00 0.00 C ATOM 0 H LEU A 67 -11.105 -7.582 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.004 -4.920 -9.240 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.311 -5.728 -7.286 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.118 -6.976 -6.985 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.392 -5.250 -6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.008 -2.874 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.255 -3.400 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.650 -3.227 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.308 -4.407 -4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.942 -4.869 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.706 -6.121 -4.681 1.00 0.00 H new ATOM 586 N THR A 68 -7.896 -7.457 -8.763 1.00 0.00 N ATOM 587 CA THR A 68 -6.475 -7.801 -8.662 1.00 0.00 C ATOM 588 C THR A 68 -5.789 -7.898 -10.025 1.00 0.00 C ATOM 589 O THR A 68 -4.594 -7.607 -10.136 1.00 0.00 O ATOM 590 CB THR A 68 -6.346 -9.171 -7.988 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.208 -10.077 -8.645 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.734 -9.092 -6.518 1.00 0.00 C ATOM 0 H THR A 68 -8.520 -8.254 -8.638 1.00 0.00 H new ATOM 0 HA THR A 68 -5.995 -7.007 -8.090 1.00 0.00 H new ATOM 0 HB THR A 68 -5.310 -9.503 -8.054 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.299 -10.891 -8.107 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.634 -10.077 -6.062 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.079 -8.387 -6.006 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.767 -8.755 -6.432 1.00 0.00 H new ATOM 600 N GLY A 69 -6.531 -8.316 -11.057 1.00 0.00 N ATOM 601 CA GLY A 69 -5.954 -8.687 -12.336 1.00 0.00 C ATOM 602 C GLY A 69 -5.276 -10.067 -12.231 1.00 0.00 C ATOM 603 O GLY A 69 -4.395 -10.367 -13.041 1.00 0.00 O ATOM 0 H GLY A 69 -7.547 -8.403 -11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.731 -8.712 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.225 -7.938 -12.646 1.00 0.00 H new ATOM 607 N ASP A 70 -5.650 -10.900 -11.245 1.00 0.00 N ATOM 608 CA ASP A 70 -5.102 -12.245 -11.024 1.00 0.00 C ATOM 609 C ASP A 70 -6.231 -13.184 -10.595 1.00 0.00 C ATOM 610 O ASP A 70 -7.286 -12.709 -10.183 1.00 0.00 O ATOM 611 CB ASP A 70 -4.030 -12.219 -9.915 1.00 0.00 C ATOM 612 CG ASP A 70 -3.125 -13.472 -9.910 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.142 -14.274 -10.878 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.378 -13.648 -8.916 1.00 0.00 O ATOM 0 H ASP A 70 -6.363 -10.647 -10.561 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.647 -12.593 -11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.409 -11.332 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.522 -12.130 -8.946 1.00 0.00 H new ATOM 619 N TRP A 71 -6.021 -14.495 -10.649 1.00 0.00 N ATOM 620 CA TRP A 71 -6.924 -15.479 -10.071 1.00 0.00 C ATOM 621 C TRP A 71 -6.390 -15.849 -8.684 1.00 0.00 C ATOM 622 O TRP A 71 -5.184 -15.778 -8.440 1.00 0.00 O ATOM 623 CB TRP A 71 -7.011 -16.709 -10.987 1.00 0.00 C ATOM 624 CG TRP A 71 -7.454 -16.386 -12.382 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.681 -16.458 -13.487 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.762 -15.925 -12.846 1.00 0.00 C ATOM 627 NE1 TRP A 71 -7.403 -16.061 -14.594 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.689 -15.692 -14.254 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.981 -15.609 -12.208 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.765 -15.171 -14.989 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -11.067 -15.081 -12.937 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.974 -14.896 -14.329 1.00 0.00 C ATOM 0 H TRP A 71 -5.206 -14.908 -11.103 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.932 -15.075 -9.974 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.035 -17.192 -11.027 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.705 -17.428 -10.551 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.650 -16.779 -13.502 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.033 -16.043 -15.544 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.084 -15.774 -11.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.665 -14.984 -16.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.979 -14.816 -12.422 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.829 -14.544 -14.887 1.00 0.00 H new ATOM 643 N ILE A 72 -7.290 -16.233 -7.767 1.00 0.00 N ATOM 644 CA ILE A 72 -6.917 -16.554 -6.387 1.00 0.00 C ATOM 645 C ILE A 72 -5.835 -17.649 -6.371 1.00 0.00 C ATOM 646 O ILE A 72 -5.997 -18.673 -7.043 1.00 0.00 O ATOM 647 CB ILE A 72 -8.172 -16.927 -5.565 1.00 0.00 C ATOM 648 CG1 ILE A 72 -8.779 -15.605 -5.062 1.00 0.00 C ATOM 649 CG2 ILE A 72 -7.910 -17.891 -4.396 1.00 0.00 C ATOM 650 CD1 ILE A 72 -10.162 -15.748 -4.442 1.00 0.00 C ATOM 0 H ILE A 72 -8.287 -16.328 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.482 -15.676 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.856 -17.478 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.106 -15.167 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.838 -14.905 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.846 -18.096 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.496 -18.823 -4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.202 -17.438 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.517 -14.771 -4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.852 -16.155 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -10.109 -16.421 -3.586 1.00 0.00 H new ATOM 662 N PRO A 73 -4.773 -17.486 -5.562 1.00 0.00 N ATOM 663 CA PRO A 73 -3.714 -18.469 -5.415 1.00 0.00 C ATOM 664 C PRO A 73 -4.122 -19.600 -4.442 1.00 0.00 C ATOM 665 O PRO A 73 -3.350 -19.914 -3.550 1.00 0.00 O ATOM 666 CB PRO A 73 -2.492 -17.646 -4.956 1.00 0.00 C ATOM 667 CG PRO A 73 -3.138 -16.583 -4.082 1.00 0.00 C ATOM 668 CD PRO A 73 -4.432 -16.276 -4.820 1.00 0.00 C ATOM 0 HA PRO A 73 -3.489 -19.004 -6.338 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.777 -18.252 -4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.954 -17.210 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.326 -16.949 -3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.507 -15.699 -3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.225 -16.011 -4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.305 -15.429 -5.494 1.00 0.00 H new ATOM 676 N PHE A 74 -5.320 -20.197 -4.526 1.00 0.00 N ATOM 677 CA PHE A 74 -5.774 -21.179 -3.528 1.00 0.00 C ATOM 678 C PHE A 74 -4.843 -22.390 -3.482 1.00 0.00 C ATOM 679 O PHE A 74 -4.170 -22.618 -2.478 1.00 0.00 O ATOM 680 CB PHE A 74 -7.249 -21.589 -3.727 1.00 0.00 C ATOM 681 CG PHE A 74 -7.587 -22.330 -5.009 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.726 -21.644 -6.232 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.760 -23.727 -4.974 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.027 -22.353 -7.410 1.00 0.00 C ATOM 685 CE2 PHE A 74 -8.087 -24.431 -6.147 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.211 -23.746 -7.367 1.00 0.00 C ATOM 0 H PHE A 74 -5.991 -20.018 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.727 -20.690 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.544 -22.215 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.861 -20.688 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.601 -20.572 -6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.641 -24.260 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.117 -21.826 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.243 -25.499 -6.110 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.447 -24.289 -8.270 1.00 0.00 H new ATOM 696 N LYS A 75 -4.732 -23.127 -4.581 1.00 0.00 N ATOM 697 CA LYS A 75 -3.929 -24.345 -4.663 1.00 0.00 C ATOM 698 C LYS A 75 -2.437 -24.012 -4.652 1.00 0.00 C ATOM 699 O LYS A 75 -1.613 -24.836 -4.266 1.00 0.00 O ATOM 700 CB LYS A 75 -4.378 -25.076 -5.939 1.00 0.00 C ATOM 701 CG LYS A 75 -3.985 -26.559 -6.034 1.00 0.00 C ATOM 702 CD LYS A 75 -4.615 -27.432 -4.930 1.00 0.00 C ATOM 703 CE LYS A 75 -4.258 -28.924 -5.069 1.00 0.00 C ATOM 704 NZ LYS A 75 -4.899 -29.584 -6.240 1.00 0.00 N ATOM 0 H LYS A 75 -5.204 -22.893 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.080 -24.993 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.463 -25.002 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.961 -24.553 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.286 -26.945 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.900 -26.644 -5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.282 -27.073 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.699 -27.319 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.176 -29.024 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.556 -29.446 -4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.616 -30.584 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.933 -29.519 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.596 -29.110 -7.115 1.00 0.00 H new ATOM 718 N GLN A 76 -2.108 -22.784 -5.053 1.00 0.00 N ATOM 719 CA GLN A 76 -0.776 -22.230 -5.133 1.00 0.00 C ATOM 720 C GLN A 76 -0.271 -21.923 -3.708 1.00 0.00 C ATOM 721 O GLN A 76 0.885 -22.206 -3.394 1.00 0.00 O ATOM 722 CB GLN A 76 -0.819 -20.989 -6.054 1.00 0.00 C ATOM 723 CG GLN A 76 -1.416 -21.205 -7.475 1.00 0.00 C ATOM 724 CD GLN A 76 -2.941 -20.995 -7.604 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.725 -21.475 -6.798 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.438 -20.273 -8.600 1.00 0.00 N ATOM 0 H GLN A 76 -2.819 -22.114 -5.348 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.067 -22.934 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.398 -20.212 -5.554 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.197 -20.609 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.915 -20.526 -8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.180 -22.219 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.813 -19.858 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.446 -20.133 -8.675 1.00 0.00 H new ATOM 735 N LEU A 77 -1.136 -21.393 -2.825 1.00 0.00 N ATOM 736 CA LEU A 77 -0.889 -21.235 -1.384 1.00 0.00 C ATOM 737 C LEU A 77 -0.965 -22.596 -0.681 1.00 0.00 C ATOM 738 O LEU A 77 -0.270 -22.799 0.317 1.00 0.00 O ATOM 739 CB LEU A 77 -1.897 -20.259 -0.749 1.00 0.00 C ATOM 740 CG LEU A 77 -1.704 -18.769 -1.118 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.916 -17.935 -0.664 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.440 -18.165 -0.495 1.00 0.00 C ATOM 0 H LEU A 77 -2.056 -21.052 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 77 0.111 -20.821 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.903 -20.561 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.838 -20.357 0.335 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.603 -18.737 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.760 -16.890 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.817 -18.305 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.031 -18.018 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.355 -17.118 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.501 -18.235 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.435 -18.712 -0.845 1.00 0.00 H new ATOM 754 N GLY A 78 -1.760 -23.535 -1.214 1.00 0.00 N ATOM 755 CA GLY A 78 -1.819 -24.928 -0.782 1.00 0.00 C ATOM 756 C GLY A 78 -3.183 -25.346 -0.226 1.00 0.00 C ATOM 757 O GLY A 78 -3.300 -26.457 0.302 1.00 0.00 O ATOM 0 H GLY A 78 -2.399 -23.333 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.569 -25.571 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.059 -25.094 -0.018 1.00 0.00 H new ATOM 761 N TYR A 79 -4.211 -24.502 -0.340 1.00 0.00 N ATOM 762 CA TYR A 79 -5.585 -24.841 0.020 1.00 0.00 C ATOM 763 C TYR A 79 -6.171 -25.656 -1.129 1.00 0.00 C ATOM 764 O TYR A 79 -5.945 -25.296 -2.285 1.00 0.00 O ATOM 765 CB TYR A 79 -6.404 -23.563 0.204 1.00 0.00 C ATOM 766 CG TYR A 79 -5.747 -22.618 1.179 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.847 -22.853 2.559 1.00 0.00 C ATOM 768 CD2 TYR A 79 -5.027 -21.514 0.699 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.191 -22.005 3.463 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.376 -20.655 1.598 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.445 -20.901 2.991 1.00 0.00 C ATOM 772 OH TYR A 79 -3.794 -20.073 3.859 1.00 0.00 O ATOM 0 H TYR A 79 -4.108 -23.550 -0.691 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.607 -25.407 0.952 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.526 -23.067 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.402 -23.818 0.560 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.429 -23.686 2.925 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.974 -21.325 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.256 -22.196 4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.822 -19.805 1.227 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.333 -19.370 3.356 1.00 0.00 H new ATOM 782 N PRO A 80 -6.933 -26.728 -0.874 1.00 0.00 N ATOM 783 CA PRO A 80 -7.352 -27.605 -1.953 1.00 0.00 C ATOM 784 C PRO A 80 -8.373 -26.960 -2.890 1.00 0.00 C ATOM 785 O PRO A 80 -8.425 -27.329 -4.066 1.00 0.00 O ATOM 786 CB PRO A 80 -7.910 -28.859 -1.271 1.00 0.00 C ATOM 787 CG PRO A 80 -8.358 -28.346 0.098 1.00 0.00 C ATOM 788 CD PRO A 80 -7.285 -27.304 0.415 1.00 0.00 C ATOM 0 HA PRO A 80 -6.510 -27.840 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.741 -29.286 -1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.153 -29.638 -1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.355 -27.907 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.386 -29.142 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.662 -26.543 1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.419 -27.761 0.894 1.00 0.00 H new ATOM 796 N THR A 81 -9.169 -26.005 -2.404 1.00 0.00 N ATOM 797 CA THR A 81 -10.304 -25.452 -3.130 1.00 0.00 C ATOM 798 C THR A 81 -10.461 -23.968 -2.796 1.00 0.00 C ATOM 799 O THR A 81 -9.881 -23.480 -1.818 1.00 0.00 O ATOM 800 CB THR A 81 -11.551 -26.264 -2.723 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.594 -26.314 -1.304 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.528 -27.695 -3.266 1.00 0.00 C ATOM 0 H THR A 81 -9.037 -25.591 -1.481 1.00 0.00 H new ATOM 0 HA THR A 81 -10.159 -25.523 -4.208 1.00 0.00 H new ATOM 0 HB THR A 81 -12.428 -25.773 -3.144 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.282 -26.952 -1.020 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.429 -28.219 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.487 -27.670 -4.355 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.651 -28.216 -2.882 1.00 0.00 H new ATOM 810 N LEU A 82 -11.281 -23.254 -3.575 1.00 0.00 N ATOM 811 CA LEU A 82 -11.629 -21.863 -3.277 1.00 0.00 C ATOM 812 C LEU A 82 -12.349 -21.795 -1.945 1.00 0.00 C ATOM 813 O LEU A 82 -12.075 -20.886 -1.171 1.00 0.00 O ATOM 814 CB LEU A 82 -12.529 -21.241 -4.373 1.00 0.00 C ATOM 815 CG LEU A 82 -11.837 -20.796 -5.676 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.696 -19.811 -5.398 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.323 -21.979 -6.498 1.00 0.00 C ATOM 0 H LEU A 82 -11.717 -23.620 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.701 -21.292 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.301 -21.967 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.035 -20.375 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.600 -20.289 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.231 -19.518 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.092 -18.927 -4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.953 -20.286 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.844 -21.611 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.600 -22.544 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.158 -22.626 -6.765 1.00 0.00 H new ATOM 829 N GLU A 83 -13.239 -22.753 -1.655 1.00 0.00 N ATOM 830 CA GLU A 83 -13.901 -22.770 -0.361 1.00 0.00 C ATOM 831 C GLU A 83 -12.848 -22.896 0.730 1.00 0.00 C ATOM 832 O GLU A 83 -12.877 -22.089 1.642 1.00 0.00 O ATOM 833 CB GLU A 83 -15.027 -23.821 -0.276 1.00 0.00 C ATOM 834 CG GLU A 83 -14.577 -25.286 -0.194 1.00 0.00 C ATOM 835 CD GLU A 83 -15.771 -26.244 -0.048 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.349 -26.667 -1.077 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.126 -26.578 1.109 1.00 0.00 O ATOM 0 H GLU A 83 -13.507 -23.507 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.425 -21.826 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.638 -23.600 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.669 -23.708 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.012 -25.543 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.904 -25.412 0.654 1.00 0.00 H new ATOM 844 N ALA A 84 -11.875 -23.813 0.631 1.00 0.00 N ATOM 845 CA ALA A 84 -10.884 -24.020 1.687 1.00 0.00 C ATOM 846 C ALA A 84 -10.035 -22.771 1.910 1.00 0.00 C ATOM 847 O ALA A 84 -9.787 -22.389 3.055 1.00 0.00 O ATOM 848 CB ALA A 84 -10.018 -25.233 1.350 1.00 0.00 C ATOM 0 H ALA A 84 -11.756 -24.425 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.408 -24.215 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.281 -25.384 2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.648 -26.118 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.506 -25.063 0.403 1.00 0.00 H new ATOM 854 N TYR A 85 -9.634 -22.095 0.833 1.00 0.00 N ATOM 855 CA TYR A 85 -8.976 -20.800 0.921 1.00 0.00 C ATOM 856 C TYR A 85 -9.853 -19.811 1.700 1.00 0.00 C ATOM 857 O TYR A 85 -9.376 -19.195 2.652 1.00 0.00 O ATOM 858 CB TYR A 85 -8.654 -20.306 -0.489 1.00 0.00 C ATOM 859 CG TYR A 85 -8.241 -18.852 -0.530 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.965 -18.476 -0.075 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.134 -17.877 -1.009 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.569 -17.130 -0.081 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.748 -16.526 -1.021 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.466 -16.146 -0.554 1.00 0.00 C ATOM 865 OH TYR A 85 -7.097 -14.832 -0.564 1.00 0.00 O ATOM 0 H TYR A 85 -9.758 -22.433 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.038 -20.890 1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.854 -20.916 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.528 -20.447 -1.125 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.282 -19.232 0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.112 -18.165 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.588 -16.849 0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.431 -15.774 -1.388 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.551 -14.370 -1.300 1.00 0.00 H new ATOM 875 N LEU A 86 -11.143 -19.697 1.357 1.00 0.00 N ATOM 876 CA LEU A 86 -12.075 -18.796 2.040 1.00 0.00 C ATOM 877 C LEU A 86 -12.321 -19.198 3.507 1.00 0.00 C ATOM 878 O LEU A 86 -12.415 -18.319 4.358 1.00 0.00 O ATOM 879 CB LEU A 86 -13.391 -18.735 1.250 1.00 0.00 C ATOM 880 CG LEU A 86 -13.263 -18.051 -0.126 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.401 -18.504 -1.037 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.286 -16.528 0.025 1.00 0.00 C ATOM 0 H LEU A 86 -11.568 -20.228 0.597 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.624 -17.804 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.765 -19.749 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.134 -18.201 1.842 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.311 -18.339 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.306 -18.018 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.355 -19.585 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.356 -18.233 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.195 -16.064 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.226 -16.222 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.454 -16.212 0.655 1.00 0.00 H new ATOM 894 N ARG A 87 -12.368 -20.500 3.834 1.00 0.00 N ATOM 895 CA ARG A 87 -12.417 -20.986 5.233 1.00 0.00 C ATOM 896 C ARG A 87 -11.209 -20.462 6.011 1.00 0.00 C ATOM 897 O ARG A 87 -11.330 -20.179 7.198 1.00 0.00 O ATOM 898 CB ARG A 87 -12.408 -22.532 5.364 1.00 0.00 C ATOM 899 CG ARG A 87 -13.741 -23.302 5.273 1.00 0.00 C ATOM 900 CD ARG A 87 -14.237 -23.451 3.833 1.00 0.00 C ATOM 901 NE ARG A 87 -15.155 -24.576 3.573 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.339 -24.872 4.128 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.819 -24.210 5.180 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.052 -25.858 3.601 1.00 0.00 N ATOM 0 H ARG A 87 -12.373 -21.248 3.141 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.361 -20.615 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.749 -22.923 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.952 -22.777 6.323 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.616 -24.291 5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.497 -22.783 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.738 -22.527 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.370 -23.559 3.181 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.839 -25.232 2.859 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.281 -23.448 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.725 -24.466 5.574 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.696 -26.370 2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.956 -26.105 4.003 1.00 0.00 H new ATOM 918 N SER A 88 -10.055 -20.359 5.355 1.00 0.00 N ATOM 919 CA SER A 88 -8.761 -20.081 5.974 1.00 0.00 C ATOM 920 C SER A 88 -8.478 -18.578 6.192 1.00 0.00 C ATOM 921 O SER A 88 -7.348 -18.219 6.533 1.00 0.00 O ATOM 922 CB SER A 88 -7.674 -20.772 5.150 1.00 0.00 C ATOM 923 OG SER A 88 -7.955 -22.163 5.065 1.00 0.00 O ATOM 0 H SER A 88 -9.993 -20.471 4.343 1.00 0.00 H new ATOM 0 HA SER A 88 -8.771 -20.488 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.629 -20.338 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.699 -20.615 5.610 1.00 0.00 H new ATOM 0 HG SER A 88 -8.626 -22.319 4.368 1.00 0.00 H new ATOM 929 N VAL A 89 -9.473 -17.694 6.033 1.00 0.00 N ATOM 930 CA VAL A 89 -9.354 -16.251 6.294 1.00 0.00 C ATOM 931 C VAL A 89 -10.476 -15.763 7.244 1.00 0.00 C ATOM 932 O VAL A 89 -11.062 -14.703 7.027 1.00 0.00 O ATOM 933 CB VAL A 89 -9.197 -15.536 4.921 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.317 -15.882 3.928 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.999 -14.016 4.998 1.00 0.00 C ATOM 0 H VAL A 89 -10.402 -17.967 5.713 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.460 -15.989 6.861 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.261 -15.944 4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.149 -15.351 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.319 -16.956 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.279 -15.584 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.900 -13.611 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.859 -13.561 5.489 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.097 -13.795 5.569 1.00 0.00 H new ATOM 945 N PRO A 90 -10.807 -16.481 8.341 1.00 0.00 N ATOM 946 CA PRO A 90 -11.998 -16.180 9.140 1.00 0.00 C ATOM 947 C PRO A 90 -11.903 -14.860 9.923 1.00 0.00 C ATOM 948 O PRO A 90 -12.925 -14.341 10.374 1.00 0.00 O ATOM 949 CB PRO A 90 -12.159 -17.376 10.084 1.00 0.00 C ATOM 950 CG PRO A 90 -10.722 -17.833 10.318 1.00 0.00 C ATOM 951 CD PRO A 90 -10.048 -17.557 8.974 1.00 0.00 C ATOM 0 HA PRO A 90 -12.861 -16.037 8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.647 -17.090 11.016 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.764 -18.164 9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.249 -17.278 11.128 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.673 -18.889 10.584 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -9.007 -17.266 9.115 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -10.048 -18.450 8.350 1.00 0.00 H new ATOM 959 N ALA A 91 -10.691 -14.310 10.103 1.00 0.00 N ATOM 960 CA ALA A 91 -10.484 -13.058 10.829 1.00 0.00 C ATOM 961 C ALA A 91 -10.752 -11.824 9.957 1.00 0.00 C ATOM 962 O ALA A 91 -10.738 -10.710 10.475 1.00 0.00 O ATOM 963 CB ALA A 91 -9.047 -13.027 11.368 1.00 0.00 C ATOM 0 H ALA A 91 -9.830 -14.725 9.747 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.198 -13.021 11.651 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.882 -12.097 11.911 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.892 -13.872 12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.345 -13.091 10.537 1.00 0.00 H new ATOM 969 N VAL A 92 -10.965 -11.997 8.644 1.00 0.00 N ATOM 970 CA VAL A 92 -11.092 -10.885 7.696 1.00 0.00 C ATOM 971 C VAL A 92 -12.282 -11.113 6.747 1.00 0.00 C ATOM 972 O VAL A 92 -12.839 -10.156 6.208 1.00 0.00 O ATOM 973 CB VAL A 92 -9.754 -10.702 6.935 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.727 -9.400 6.127 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.514 -10.695 7.846 1.00 0.00 C ATOM 0 H VAL A 92 -11.054 -12.916 8.210 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.299 -9.961 8.236 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.707 -11.571 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.771 -9.312 5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.536 -9.408 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.855 -8.552 6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.618 -10.563 7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.592 -9.876 8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.452 -11.641 8.383 1.00 0.00 H new ATOM 985 N VAL A 93 -12.722 -12.357 6.575 1.00 0.00 N ATOM 986 CA VAL A 93 -13.715 -12.789 5.599 1.00 0.00 C ATOM 987 C VAL A 93 -14.646 -13.787 6.309 1.00 0.00 C ATOM 988 O VAL A 93 -14.330 -14.308 7.380 1.00 0.00 O ATOM 989 CB VAL A 93 -12.942 -13.360 4.383 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.744 -14.215 3.384 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.245 -12.219 3.622 1.00 0.00 C ATOM 0 H VAL A 93 -12.376 -13.130 7.143 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.351 -11.991 5.216 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.233 -14.055 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.086 -14.551 2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.161 -15.081 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.553 -13.619 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.704 -12.628 2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.992 -11.507 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.545 -11.713 4.287 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.819 -14.013 5.725 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.920 -14.800 6.283 1.00 0.00 C ATOM 1003 C ARG A 94 -17.553 -15.545 5.121 1.00 0.00 C ATOM 1004 O ARG A 94 -17.465 -15.077 3.988 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.878 -13.829 7.009 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.257 -14.404 7.381 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.046 -13.503 8.343 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.221 -12.128 7.832 1.00 0.00 N ATOM 1009 CZ ARG A 94 -20.654 -11.085 8.555 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -21.130 -11.262 9.787 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -20.605 -9.861 8.039 1.00 0.00 N ATOM 0 H ARG A 94 -16.041 -13.635 4.804 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.609 -15.538 7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.392 -13.482 7.921 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.028 -12.955 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.839 -14.552 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.124 -15.385 7.838 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -21.026 -13.945 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.530 -13.465 9.303 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.995 -11.959 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -21.168 -12.198 10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.457 -10.461 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.239 -9.719 7.097 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.933 -9.064 8.585 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.194 -16.677 5.367 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.823 -17.472 4.320 1.00 0.00 C ATOM 1027 C ILE A 95 -20.114 -18.091 4.858 1.00 0.00 C ATOM 1028 O ILE A 95 -20.235 -18.350 6.056 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.841 -18.544 3.784 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.322 -19.507 4.869 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.656 -17.909 3.034 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.361 -20.581 4.348 1.00 0.00 C ATOM 0 H ILE A 95 -18.294 -17.073 6.302 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.081 -16.831 3.477 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.428 -19.139 3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.817 -18.928 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.173 -19.996 5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.991 -18.694 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -17.028 -17.332 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.109 -17.251 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.043 -21.216 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.867 -21.188 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.489 -20.103 3.901 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.051 -18.370 3.956 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.273 -19.106 4.224 1.00 0.00 C ATOM 1046 C GLU A 96 -22.345 -20.208 3.170 1.00 0.00 C ATOM 1047 O GLU A 96 -22.652 -19.942 2.006 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.495 -18.169 4.167 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.538 -17.110 5.282 1.00 0.00 C ATOM 1050 CD GLU A 96 -23.637 -17.687 6.713 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -24.145 -18.820 6.906 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -23.202 -16.992 7.665 1.00 0.00 O ATOM 0 H GLU A 96 -20.972 -18.076 2.982 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.275 -19.538 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.504 -17.663 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.402 -18.771 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -22.642 -16.493 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -24.391 -16.454 5.109 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.988 -21.437 3.553 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.193 -22.615 2.720 1.00 0.00 C ATOM 1061 C ALA A 97 -23.671 -23.000 2.819 1.00 0.00 C ATOM 1062 O ALA A 97 -24.178 -23.254 3.916 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.281 -23.756 3.187 1.00 0.00 C ATOM 0 H ALA A 97 -21.549 -21.639 4.451 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.939 -22.408 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.442 -24.631 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.240 -23.443 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.512 -24.006 4.222 1.00 0.00 H new ATOM 1069 N SER A 98 -24.364 -23.005 1.681 1.00 0.00 N ATOM 1070 CA SER A 98 -25.745 -23.440 1.589 1.00 0.00 C ATOM 1071 C SER A 98 -25.781 -24.963 1.710 1.00 0.00 C ATOM 1072 O SER A 98 -24.864 -25.665 1.275 1.00 0.00 O ATOM 1073 CB SER A 98 -26.338 -22.967 0.254 1.00 0.00 C ATOM 1074 OG SER A 98 -27.705 -23.346 0.129 1.00 0.00 O ATOM 0 H SER A 98 -23.972 -22.702 0.790 1.00 0.00 H new ATOM 0 HA SER A 98 -26.344 -23.011 2.392 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.251 -21.883 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.765 -23.390 -0.571 1.00 0.00 H new ATOM 0 HG SER A 98 -28.055 -23.029 -0.730 1.00 0.00 H new ATOM 1080 N ARG A 99 -26.903 -25.478 2.213 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.213 -26.912 2.208 1.00 0.00 C ATOM 1082 C ARG A 99 -27.188 -27.505 0.795 1.00 0.00 C ATOM 1083 O ARG A 99 -26.951 -28.705 0.645 1.00 0.00 O ATOM 1084 CB ARG A 99 -28.540 -27.209 2.945 1.00 0.00 C ATOM 1085 CG ARG A 99 -29.860 -26.901 2.205 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.050 -25.422 1.845 1.00 0.00 C ATOM 1087 NE ARG A 99 -31.378 -25.160 1.264 1.00 0.00 N ATOM 1088 CZ ARG A 99 -31.731 -24.053 0.593 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -30.854 -23.069 0.380 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -32.977 -23.934 0.135 1.00 0.00 N ATOM 0 H ARG A 99 -27.632 -24.907 2.641 1.00 0.00 H new ATOM 0 HA ARG A 99 -26.420 -27.413 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -28.545 -28.266 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -28.539 -26.644 3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -29.897 -27.493 1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -30.695 -27.222 2.827 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -29.919 -24.812 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -29.279 -25.120 1.137 1.00 0.00 H new ATOM 0 HE ARG A 99 -32.090 -25.881 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -29.899 -23.152 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -31.139 -22.234 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -33.653 -24.681 0.296 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -33.255 -23.096 -0.376 1.00 0.00 H new ATOM 1104 N SER A 100 -27.404 -26.682 -0.240 1.00 0.00 N ATOM 1105 CA SER A 100 -27.376 -27.112 -1.638 1.00 0.00 C ATOM 1106 C SER A 100 -25.948 -27.387 -2.140 1.00 0.00 C ATOM 1107 O SER A 100 -25.779 -27.960 -3.218 1.00 0.00 O ATOM 1108 CB SER A 100 -28.064 -26.043 -2.500 1.00 0.00 C ATOM 1109 OG SER A 100 -29.305 -25.654 -1.923 1.00 0.00 O ATOM 0 H SER A 100 -27.605 -25.689 -0.125 1.00 0.00 H new ATOM 0 HA SER A 100 -27.913 -28.057 -1.717 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.414 -25.173 -2.597 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.230 -26.431 -3.505 1.00 0.00 H new ATOM 0 HG SER A 100 -29.727 -24.971 -2.485 1.00 0.00 H new ATOM 1115 N GLY A 101 -24.915 -26.978 -1.386 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.510 -27.227 -1.698 1.00 0.00 C ATOM 1117 C GLY A 101 -22.809 -26.013 -2.313 1.00 0.00 C ATOM 1118 O GLY A 101 -21.598 -26.063 -2.527 1.00 0.00 O ATOM 0 H GLY A 101 -25.044 -26.452 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -22.987 -27.518 -0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.440 -28.068 -2.388 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.534 -24.923 -2.599 1.00 0.00 N ATOM 1123 CA GLU A 102 -22.919 -23.655 -2.976 1.00 0.00 C ATOM 1124 C GLU A 102 -22.352 -23.009 -1.707 1.00 0.00 C ATOM 1125 O GLU A 102 -22.749 -23.357 -0.593 1.00 0.00 O ATOM 1126 CB GLU A 102 -23.958 -22.734 -3.644 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.489 -23.271 -4.984 1.00 0.00 C ATOM 1128 CD GLU A 102 -23.369 -23.504 -6.019 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -22.629 -22.544 -6.344 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -23.224 -24.650 -6.513 1.00 0.00 O ATOM 0 H GLU A 102 -24.553 -24.900 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 102 -22.118 -23.821 -3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.796 -22.592 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.510 -21.754 -3.807 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -25.018 -24.208 -4.811 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.214 -22.566 -5.392 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.485 -22.009 -1.858 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.029 -21.170 -0.760 1.00 0.00 C ATOM 1139 C ILE A 103 -21.006 -19.733 -1.252 1.00 0.00 C ATOM 1140 O ILE A 103 -20.582 -19.464 -2.378 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.709 -21.695 -0.120 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.068 -20.694 0.865 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.654 -22.246 -1.088 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.126 -19.657 0.228 1.00 0.00 C ATOM 0 H ILE A 103 -21.077 -21.759 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.721 -21.211 0.081 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.063 -22.562 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.864 -20.164 1.389 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.511 -21.254 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.783 -22.580 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.072 -23.087 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.357 -21.463 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.728 -19.002 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.304 -20.170 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.678 -19.063 -0.501 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.458 -18.827 -0.391 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.558 -17.399 -0.636 1.00 0.00 C ATOM 1158 C VAL A 104 -20.536 -16.755 0.304 1.00 0.00 C ATOM 1159 O VAL A 104 -20.423 -17.156 1.460 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.014 -16.934 -0.376 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.228 -15.531 -0.964 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.063 -17.899 -0.971 1.00 0.00 C ATOM 0 H VAL A 104 -21.780 -19.085 0.542 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.339 -17.115 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.153 -16.921 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.253 -15.211 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.538 -14.830 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.045 -15.555 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.064 -17.524 -0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -23.923 -17.969 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -23.943 -18.886 -0.525 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.757 -15.805 -0.203 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.620 -15.223 0.497 1.00 0.00 C ATOM 1174 C CYS A 105 -18.969 -13.801 0.924 1.00 0.00 C ATOM 1175 O CYS A 105 -19.657 -13.107 0.177 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.400 -15.214 -0.443 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.288 -16.740 -1.432 1.00 0.00 S ATOM 0 H CYS A 105 -19.903 -15.411 -1.132 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.383 -15.812 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.463 -14.354 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.490 -15.096 0.145 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.167 -16.703 -2.389 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.432 -13.350 2.059 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.695 -12.054 2.677 1.00 0.00 C ATOM 1185 C TYR A 106 -17.427 -11.518 3.331 1.00 0.00 C ATOM 1186 O TYR A 106 -16.477 -12.263 3.553 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.765 -12.220 3.760 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.122 -12.586 3.228 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.928 -11.586 2.656 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.571 -13.918 3.307 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.225 -11.899 2.230 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.849 -14.250 2.829 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.692 -13.235 2.305 1.00 0.00 C ATOM 1194 OH TYR A 106 -24.950 -13.531 1.870 1.00 0.00 O ATOM 0 H TYR A 106 -17.769 -13.908 2.597 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.033 -11.359 1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.441 -12.989 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.845 -11.290 4.322 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.549 -10.581 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.936 -14.681 3.733 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.869 -11.123 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.190 -15.274 2.860 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.120 -14.489 1.987 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.416 -10.233 3.687 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.308 -9.644 4.429 1.00 0.00 C ATOM 1206 C ALA A 107 -16.564 -9.750 5.930 1.00 0.00 C ATOM 1207 O ALA A 107 -17.682 -10.034 6.362 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.149 -8.172 4.038 1.00 0.00 C ATOM 0 H ALA A 107 -18.168 -9.579 3.470 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.394 -10.185 4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.320 -7.735 4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -15.947 -8.099 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.067 -7.632 4.271 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.528 -9.447 6.711 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.605 -9.305 8.169 1.00 0.00 C ATOM 1216 C VAL A 108 -14.699 -8.179 8.702 1.00 0.00 C ATOM 1217 O VAL A 108 -15.045 -7.579 9.723 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.360 -10.690 8.833 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.277 -10.739 9.923 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.664 -11.224 9.438 1.00 0.00 C ATOM 0 H VAL A 108 -14.590 -9.289 6.342 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.609 -8.983 8.447 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.993 -11.308 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.197 -11.754 10.311 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.320 -10.436 9.499 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.545 -10.061 10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.480 -12.194 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.028 -10.526 10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.412 -11.332 8.653 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.591 -7.840 8.029 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.706 -6.729 8.398 1.00 0.00 C ATOM 1232 C ALA A 109 -12.107 -6.126 7.121 1.00 0.00 C ATOM 1233 O ALA A 109 -12.757 -6.270 6.066 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.623 -7.208 9.376 1.00 0.00 C ATOM 1235 OXT ALA A 109 -11.019 -5.503 7.173 1.00 0.00 O ATOM 0 H ALA A 109 -13.280 -8.341 7.197 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.272 -5.952 8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.975 -6.372 9.640 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.094 -7.600 10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.030 -7.993 8.906 1.00 0.00 H new TER 1241 ALA A 109