USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 751 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 100 MET CE :methyl -149:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 77:sc= 1.11 USER MOD Set 2.1: A 72 SER OG : rot -11:sc= 1.44 USER MOD Set 2.2: A 94 TYR OH : rot -132:sc= 0.618 USER MOD Set 3.1: A 69 CYS SG : rot -14:sc= 0.0147 USER MOD Set 3.2: A 70 THR OG1 : rot -130:sc= -2.52! USER MOD Set 4.1: A 32 GLN : amide:sc= -1.4! K(o=-0.17!,f=-3.9) USER MOD Set 4.2: A 41 GLN : amide:sc= 1.23 K(o=-0.17,f=-3.1) USER MOD Single : A 38 ASN : amide:sc= 0.0922 K(o=0.092,f=-0.43) USER MOD Single : A 42 TYR OH : rot 151:sc= 0.482 USER MOD Single : A 43 ASN : amide:sc= -1.3! C(o=-1.3!,f=-7.4!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0.566 (180deg=0.515) USER MOD Single : A 61 ASN : amide:sc= -0.031 K(o=-0.031,f=-2.7) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 1.28 (180deg=0.471) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.39 K(o=-0.39,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 104 LYS NZ :NH3+ -175:sc= 1.33 (180deg=1.26) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.7) USER MOD Single : A 109 MET CE :methyl 163:sc= -0.141 (180deg=-0.644) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 71:sc= -0.521 USER MOD Single : A 118 TYR OH : rot 180:sc= -1.49! USER MOD Single : A 123 LYS NZ :NH3+ -177:sc= 0.137 (180deg=0.133) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A 28 -7.800 -2.469 10.487 1.00 1.27 N ATOM 31 CA PHE A 28 -6.714 -1.760 9.822 1.00 1.21 C ATOM 32 C PHE A 28 -6.102 -2.653 8.748 1.00 0.94 C ATOM 33 O PHE A 28 -6.139 -3.880 8.861 1.00 0.94 O ATOM 34 CB PHE A 28 -5.640 -1.308 10.828 1.00 1.52 C ATOM 35 CG PHE A 28 -4.850 -2.430 11.449 1.00 1.96 C ATOM 36 CD1 PHE A 28 -3.661 -2.855 10.882 1.00 2.75 C ATOM 37 CD2 PHE A 28 -5.307 -3.066 12.594 1.00 2.12 C ATOM 38 CE1 PHE A 28 -2.938 -3.889 11.446 1.00 3.75 C ATOM 39 CE2 PHE A 28 -4.590 -4.099 13.162 1.00 2.99 C ATOM 40 CZ PHE A 28 -3.382 -4.487 12.603 1.00 3.85 C ATOM 0 HA PHE A 28 -7.122 -0.863 9.355 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -4.950 -0.632 10.323 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -6.122 -0.738 11.622 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -3.294 -2.373 9.988 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -6.235 -2.749 13.046 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -2.025 -4.228 10.979 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -4.968 -4.603 14.039 1.00 2.99 H new ATOM 0 HZ PHE A 28 -2.790 -5.257 13.075 1.00 3.85 H new ATOM 50 N GLY A 29 -5.520 -2.043 7.728 1.00 0.85 N ATOM 51 CA GLY A 29 -5.024 -2.808 6.604 1.00 0.73 C ATOM 52 C GLY A 29 -3.520 -2.967 6.630 1.00 0.63 C ATOM 53 O GLY A 29 -2.802 -2.091 7.116 1.00 0.69 O ATOM 0 H GLY A 29 -5.382 -1.035 7.658 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -5.490 -3.793 6.605 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -5.318 -2.317 5.676 1.00 0.73 H new ATOM 57 N ALA A 30 -3.048 -4.090 6.112 1.00 0.66 N ATOM 58 CA ALA A 30 -1.624 -4.384 6.074 1.00 0.59 C ATOM 59 C ALA A 30 -1.251 -5.016 4.745 1.00 0.56 C ATOM 60 O ALA A 30 -1.560 -6.180 4.491 1.00 0.65 O ATOM 61 CB ALA A 30 -1.235 -5.300 7.221 1.00 0.71 C ATOM 0 H ALA A 30 -3.637 -4.819 5.709 1.00 0.66 H new ATOM 0 HA ALA A 30 -1.077 -3.447 6.182 1.00 0.59 H new ATOM 0 HB1 ALA A 30 -0.166 -5.508 7.174 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -1.470 -4.816 8.169 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.790 -6.235 7.144 1.00 0.71 H new ATOM 67 N ILE A 31 -0.613 -4.234 3.896 1.00 0.49 N ATOM 68 CA ILE A 31 -0.201 -4.698 2.586 1.00 0.53 C ATOM 69 C ILE A 31 1.321 -4.850 2.574 1.00 0.43 C ATOM 70 O ILE A 31 2.003 -4.321 3.452 1.00 0.49 O ATOM 71 CB ILE A 31 -0.574 -3.835 1.633 1.00 0.62 C ATOM 72 CG1 ILE A 31 -2.001 -3.313 1.866 1.00 0.82 C ATOM 73 CG2 ILE A 31 -0.472 -4.464 0.245 1.00 1.08 C ATOM 74 CD1 ILE A 31 -3.075 -4.381 1.790 1.00 0.96 C ATOM 0 H ILE A 31 -0.367 -3.264 4.094 1.00 0.49 H new ATOM 0 HA ILE A 31 -0.679 -5.656 2.382 1.00 0.53 H new ATOM 0 HB ILE A 31 0.113 -2.990 1.686 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -2.046 -2.838 2.846 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -2.219 -2.542 1.127 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -0.782 -3.738 -0.507 1.00 1.08 H new ATOM 0 HG22 ILE A 31 0.559 -4.764 0.057 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -1.120 -5.339 0.193 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -4.051 -3.929 1.966 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -3.061 -4.841 0.802 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.886 -5.142 2.547 1.00 0.96 H new ATOM 86 N GLN A 32 1.856 -5.610 1.637 1.00 0.39 N ATOM 87 CA GLN A 32 3.294 -5.673 1.459 1.00 0.34 C ATOM 88 C GLN A 32 3.642 -5.414 0.000 1.00 0.33 C ATOM 89 O GLN A 32 3.200 -6.147 -0.885 1.00 0.36 O ATOM 90 CB GLN A 32 3.837 -7.028 1.916 1.00 0.37 C ATOM 91 CG GLN A 32 5.353 -7.089 1.954 1.00 0.53 C ATOM 92 CD GLN A 32 5.874 -8.354 2.596 1.00 0.58 C ATOM 93 OE1 GLN A 32 5.254 -9.413 2.513 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.009 -8.244 3.261 1.00 0.86 N ATOM 0 H GLN A 32 1.320 -6.189 0.991 1.00 0.39 H new ATOM 0 HA GLN A 32 3.761 -4.903 2.074 1.00 0.34 H new ATOM 0 HB2 GLN A 32 3.447 -7.251 2.909 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.466 -7.804 1.246 1.00 0.37 H new ATOM 0 HG2 GLN A 32 5.740 -7.017 0.938 1.00 0.53 H new ATOM 0 HG3 GLN A 32 5.733 -6.226 2.502 1.00 0.53 H new ATOM 0 HE21 GLN A 32 7.490 -7.346 3.304 1.00 0.86 H new ATOM 0 HE22 GLN A 32 7.405 -9.057 3.732 1.00 0.86 H new ATOM 103 N LEU A 33 4.402 -4.351 -0.245 1.00 0.38 N ATOM 104 CA LEU A 33 4.802 -3.984 -1.602 1.00 0.41 C ATOM 105 C LEU A 33 6.312 -4.089 -1.737 1.00 0.33 C ATOM 106 O LEU A 33 7.025 -3.982 -0.749 1.00 0.36 O ATOM 107 CB LEU A 33 4.400 -2.539 -1.946 1.00 0.56 C ATOM 108 CG LEU A 33 2.968 -2.120 -1.607 1.00 0.91 C ATOM 109 CD1 LEU A 33 2.673 -0.743 -2.172 1.00 1.24 C ATOM 110 CD2 LEU A 33 1.961 -3.136 -2.129 1.00 1.62 C ATOM 0 H LEU A 33 4.755 -3.726 0.480 1.00 0.38 H new ATOM 0 HA LEU A 33 4.295 -4.668 -2.283 1.00 0.41 H new ATOM 0 HB2 LEU A 33 5.082 -1.865 -1.429 1.00 0.56 H new ATOM 0 HB3 LEU A 33 4.553 -2.389 -3.015 1.00 0.56 H new ATOM 0 HG LEU A 33 2.875 -2.081 -0.522 1.00 0.91 H new ATOM 0 HD11 LEU A 33 1.651 -0.459 -1.923 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.366 -0.018 -1.744 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.790 -0.761 -3.255 1.00 1.24 H new ATOM 0 HD21 LEU A 33 0.952 -2.812 -1.874 1.00 1.62 H new ATOM 0 HD22 LEU A 33 2.053 -3.216 -3.212 1.00 1.62 H new ATOM 0 HD23 LEU A 33 2.156 -4.108 -1.675 1.00 1.62 H new ATOM 122 N ASP A 34 6.802 -4.284 -2.949 1.00 0.33 N ATOM 123 CA ASP A 34 8.239 -4.229 -3.193 1.00 0.34 C ATOM 124 C ASP A 34 8.592 -2.976 -3.975 1.00 0.40 C ATOM 125 O ASP A 34 7.702 -2.274 -4.451 1.00 0.43 O ATOM 126 CB ASP A 34 8.783 -5.486 -3.882 1.00 0.38 C ATOM 127 CG ASP A 34 8.248 -5.733 -5.278 1.00 0.51 C ATOM 128 OD1 ASP A 34 8.241 -4.794 -6.108 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.883 -6.890 -5.566 1.00 1.22 O ATOM 0 H ASP A 34 6.235 -4.480 -3.774 1.00 0.33 H new ATOM 0 HA ASP A 34 8.726 -4.189 -2.218 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.869 -5.413 -3.933 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.551 -6.352 -3.262 1.00 0.38 H new ATOM 134 N GLY A 35 9.888 -2.692 -4.075 1.00 0.47 N ATOM 135 CA GLY A 35 10.368 -1.435 -4.634 1.00 0.57 C ATOM 136 C GLY A 35 9.808 -1.076 -6.003 1.00 0.64 C ATOM 137 O GLY A 35 9.844 0.094 -6.392 1.00 0.79 O ATOM 0 H GLY A 35 10.630 -3.324 -3.772 1.00 0.47 H new ATOM 0 HA2 GLY A 35 10.126 -0.631 -3.939 1.00 0.57 H new ATOM 0 HA3 GLY A 35 11.455 -1.479 -4.704 1.00 0.57 H new ATOM 141 N ASP A 36 9.300 -2.054 -6.742 1.00 0.58 N ATOM 142 CA ASP A 36 8.764 -1.783 -8.072 1.00 0.66 C ATOM 143 C ASP A 36 7.281 -1.450 -7.995 1.00 0.61 C ATOM 144 O ASP A 36 6.719 -0.840 -8.905 1.00 0.78 O ATOM 145 CB ASP A 36 8.976 -2.972 -9.005 1.00 0.69 C ATOM 146 CG ASP A 36 8.706 -2.610 -10.450 1.00 1.21 C ATOM 147 OD1 ASP A 36 7.658 -3.040 -10.983 1.00 1.95 O ATOM 148 OD2 ASP A 36 9.527 -1.892 -11.060 1.00 1.56 O ATOM 0 H ASP A 36 9.247 -3.030 -6.449 1.00 0.58 H new ATOM 0 HA ASP A 36 9.302 -0.925 -8.475 1.00 0.66 H new ATOM 0 HB2 ASP A 36 10.000 -3.333 -8.906 1.00 0.69 H new ATOM 0 HB3 ASP A 36 8.320 -3.789 -8.707 1.00 0.69 H new ATOM 153 N GLY A 37 6.652 -1.841 -6.903 1.00 0.51 N ATOM 154 CA GLY A 37 5.240 -1.586 -6.732 1.00 0.53 C ATOM 155 C GLY A 37 4.422 -2.858 -6.742 1.00 0.47 C ATOM 156 O GLY A 37 3.190 -2.808 -6.732 1.00 0.53 O ATOM 0 H GLY A 37 7.095 -2.333 -6.127 1.00 0.51 H new ATOM 0 HA2 GLY A 37 5.079 -1.061 -5.791 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.893 -0.927 -7.528 1.00 0.53 H new ATOM 160 N ASN A 38 5.102 -3.999 -6.767 1.00 0.40 N ATOM 161 CA ASN A 38 4.419 -5.287 -6.752 1.00 0.39 C ATOM 162 C ASN A 38 3.816 -5.551 -5.389 1.00 0.34 C ATOM 163 O ASN A 38 4.335 -5.097 -4.369 1.00 0.40 O ATOM 164 CB ASN A 38 5.368 -6.438 -7.071 1.00 0.44 C ATOM 165 CG ASN A 38 5.938 -6.398 -8.467 1.00 0.70 C ATOM 166 OD1 ASN A 38 5.284 -5.967 -9.415 1.00 1.30 O ATOM 167 ND2 ASN A 38 7.174 -6.841 -8.591 1.00 1.24 N ATOM 0 H ASN A 38 6.120 -4.058 -6.798 1.00 0.40 H new ATOM 0 HA ASN A 38 3.643 -5.236 -7.516 1.00 0.39 H new ATOM 0 HB2 ASN A 38 6.189 -6.427 -6.354 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.838 -7.380 -6.933 1.00 0.44 H new ATOM 0 HD21 ASN A 38 7.628 -6.836 -9.504 1.00 1.24 H new ATOM 0 HD22 ASN A 38 7.675 -7.189 -7.774 1.00 1.24 H new ATOM 174 N ILE A 39 2.722 -6.283 -5.381 1.00 0.32 N ATOM 175 CA ILE A 39 2.131 -6.739 -4.145 1.00 0.32 C ATOM 176 C ILE A 39 2.622 -8.152 -3.840 1.00 0.36 C ATOM 177 O ILE A 39 2.976 -8.905 -4.754 1.00 0.41 O ATOM 178 CB ILE A 39 0.806 -6.737 -4.198 1.00 0.37 C ATOM 179 CG1 ILE A 39 0.276 -5.482 -4.890 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.218 -6.837 -2.791 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.226 -5.478 -5.082 1.00 0.89 C ATOM 0 H ILE A 39 2.224 -6.575 -6.222 1.00 0.32 H new ATOM 0 HA ILE A 39 2.435 -6.050 -3.357 1.00 0.32 H new ATOM 0 HB ILE A 39 0.498 -7.604 -4.782 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.560 -4.608 -4.304 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.758 -5.384 -5.863 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -0.870 -6.834 -2.850 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.553 -7.762 -2.321 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.551 -5.986 -2.196 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.527 -4.556 -5.579 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.517 -6.332 -5.694 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.717 -5.543 -4.111 1.00 0.89 H new ATOM 193 N LEU A 40 2.714 -8.476 -2.561 1.00 0.40 N ATOM 194 CA LEU A 40 3.107 -9.808 -2.129 1.00 0.49 C ATOM 195 C LEU A 40 1.948 -10.487 -1.440 1.00 0.56 C ATOM 196 O LEU A 40 1.520 -11.572 -1.821 1.00 0.73 O ATOM 197 CB LEU A 40 4.281 -9.746 -1.152 1.00 0.55 C ATOM 198 CG LEU A 40 5.635 -9.333 -1.751 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.634 -7.860 -2.132 1.00 1.39 C ATOM 200 CD2 LEU A 40 6.769 -9.641 -0.778 1.00 1.45 C ATOM 0 H LEU A 40 2.520 -7.829 -1.797 1.00 0.40 H new ATOM 0 HA LEU A 40 3.406 -10.370 -3.014 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.029 -9.045 -0.356 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.395 -10.726 -0.689 1.00 0.55 H new ATOM 0 HG LEU A 40 5.796 -9.914 -2.659 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.603 -7.593 -2.553 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.854 -7.676 -2.871 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.444 -7.255 -1.245 1.00 1.39 H new ATOM 0 HD21 LEU A 40 7.719 -9.342 -1.220 1.00 1.45 H new ATOM 0 HD22 LEU A 40 6.611 -9.092 0.150 1.00 1.45 H new ATOM 0 HD23 LEU A 40 6.788 -10.710 -0.568 1.00 1.45 H new ATOM 212 N GLN A 41 1.451 -9.832 -0.406 1.00 0.59 N ATOM 213 CA GLN A 41 0.378 -10.380 0.392 1.00 0.73 C ATOM 214 C GLN A 41 -0.474 -9.277 0.996 1.00 0.61 C ATOM 215 O GLN A 41 0.017 -8.198 1.342 1.00 0.60 O ATOM 216 CB GLN A 41 0.937 -11.278 1.501 1.00 0.99 C ATOM 217 CG GLN A 41 2.011 -10.619 2.355 1.00 0.88 C ATOM 218 CD GLN A 41 2.517 -11.527 3.458 1.00 1.20 C ATOM 219 OE1 GLN A 41 1.776 -12.355 3.988 1.00 1.99 O ATOM 220 NE2 GLN A 41 3.786 -11.386 3.805 1.00 1.30 N ATOM 0 H GLN A 41 1.778 -8.915 -0.101 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.252 -10.979 -0.265 1.00 0.73 H new ATOM 0 HB2 GLN A 41 0.117 -11.592 2.147 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.350 -12.180 1.049 1.00 0.99 H new ATOM 0 HG2 GLN A 41 2.846 -10.326 1.719 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.610 -9.706 2.796 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.367 -10.688 3.341 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.183 -11.976 4.536 1.00 1.30 H new ATOM 229 N TYR A 42 -1.756 -9.558 1.076 1.00 0.68 N ATOM 230 CA TYR A 42 -2.714 -8.688 1.744 1.00 0.69 C ATOM 231 C TYR A 42 -3.039 -9.227 3.129 1.00 0.78 C ATOM 232 O TYR A 42 -2.598 -10.317 3.499 1.00 1.25 O ATOM 233 CB TYR A 42 -4.002 -8.595 0.928 1.00 0.78 C ATOM 234 CG TYR A 42 -4.037 -7.479 -0.087 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.254 -6.960 -0.497 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.876 -6.947 -0.635 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.325 -5.944 -1.424 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.938 -5.925 -1.567 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.164 -5.428 -1.959 1.00 0.63 C ATOM 240 OH TYR A 42 -4.226 -4.417 -2.890 1.00 0.71 O ATOM 0 H TYR A 42 -2.171 -10.401 0.679 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.270 -7.697 1.836 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -4.155 -9.542 0.410 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.840 -8.468 1.614 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -6.167 -7.361 -0.081 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.915 -7.335 -0.331 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.284 -5.554 -1.730 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -2.030 -5.518 -1.986 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.419 -3.864 -2.827 1.00 0.71 H new ATOM 250 N ASN A 43 -3.827 -8.474 3.882 1.00 0.89 N ATOM 251 CA ASN A 43 -4.272 -8.915 5.192 1.00 0.95 C ATOM 252 C ASN A 43 -5.714 -9.398 5.079 1.00 1.08 C ATOM 253 O ASN A 43 -6.307 -9.357 4.002 1.00 1.63 O ATOM 254 CB ASN A 43 -4.168 -7.768 6.208 1.00 0.96 C ATOM 255 CG ASN A 43 -4.043 -8.247 7.650 1.00 1.38 C ATOM 256 OD1 ASN A 43 -4.469 -9.346 8.005 1.00 2.13 O ATOM 257 ND2 ASN A 43 -3.471 -7.412 8.501 1.00 1.66 N ATOM 0 H ASN A 43 -4.171 -7.554 3.606 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.638 -9.730 5.541 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.304 -7.151 5.961 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -5.049 -7.132 6.119 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -3.373 -7.672 9.482 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.128 -6.508 8.176 1.00 1.66 H new ATOM 264 N ALA A 44 -6.281 -9.844 6.186 1.00 1.12 N ATOM 265 CA ALA A 44 -7.658 -10.306 6.208 1.00 1.23 C ATOM 266 C ALA A 44 -8.609 -9.138 6.440 1.00 1.22 C ATOM 267 O ALA A 44 -9.785 -9.333 6.738 1.00 1.39 O ATOM 268 CB ALA A 44 -7.841 -11.362 7.288 1.00 1.48 C ATOM 0 H ALA A 44 -5.806 -9.896 7.087 1.00 1.12 H new ATOM 0 HA ALA A 44 -7.891 -10.752 5.241 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -8.877 -11.700 7.294 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -7.184 -12.208 7.085 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -7.593 -10.935 8.260 1.00 1.48 H new ATOM 274 N ALA A 45 -8.088 -7.925 6.301 1.00 1.21 N ATOM 275 CA ALA A 45 -8.879 -6.719 6.506 1.00 1.34 C ATOM 276 C ALA A 45 -9.535 -6.275 5.207 1.00 1.26 C ATOM 277 O ALA A 45 -10.692 -5.861 5.197 1.00 1.38 O ATOM 278 CB ALA A 45 -8.009 -5.605 7.060 1.00 1.52 C ATOM 0 H ALA A 45 -7.116 -7.751 6.046 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.664 -6.946 7.228 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -8.614 -4.710 7.208 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.582 -5.916 8.014 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -7.205 -5.387 6.357 1.00 1.52 H new ATOM 284 N GLU A 46 -8.786 -6.363 4.113 1.00 1.18 N ATOM 285 CA GLU A 46 -9.298 -5.998 2.800 1.00 1.23 C ATOM 286 C GLU A 46 -10.508 -6.857 2.444 1.00 1.20 C ATOM 287 O GLU A 46 -11.588 -6.336 2.151 1.00 1.42 O ATOM 288 CB GLU A 46 -8.207 -6.159 1.736 1.00 1.27 C ATOM 289 CG GLU A 46 -7.122 -5.087 1.779 1.00 1.10 C ATOM 290 CD GLU A 46 -6.388 -5.018 3.103 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.888 -6.062 3.582 1.00 2.12 O ATOM 292 OE2 GLU A 46 -6.261 -3.750 3.803 1.00 1.31 O ATOM 0 H GLU A 46 -7.818 -6.686 4.112 1.00 1.18 H new ATOM 0 HA GLU A 46 -9.606 -4.953 2.829 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.740 -7.136 1.857 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -8.673 -6.148 0.751 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -6.402 -5.279 0.984 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -7.574 -4.117 1.573 1.00 1.10 H new ATOM 300 N GLY A 47 -10.314 -8.170 2.496 1.00 1.08 N ATOM 301 CA GLY A 47 -11.394 -9.105 2.232 1.00 1.18 C ATOM 302 C GLY A 47 -12.539 -8.978 3.220 1.00 1.25 C ATOM 303 O GLY A 47 -13.698 -9.220 2.874 1.00 1.42 O ATOM 0 H GLY A 47 -9.420 -8.607 2.718 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.772 -8.941 1.223 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -11.004 -10.122 2.265 1.00 1.18 H new ATOM 307 N ASP A 48 -12.215 -8.589 4.448 1.00 1.26 N ATOM 308 CA ASP A 48 -13.219 -8.403 5.490 1.00 1.49 C ATOM 309 C ASP A 48 -14.194 -7.299 5.102 1.00 1.53 C ATOM 310 O ASP A 48 -15.383 -7.357 5.424 1.00 1.74 O ATOM 311 CB ASP A 48 -12.537 -8.066 6.816 1.00 1.72 C ATOM 312 CG ASP A 48 -13.517 -7.843 7.944 1.00 2.01 C ATOM 313 OD1 ASP A 48 -13.724 -6.675 8.333 1.00 2.28 O ATOM 314 OD2 ASP A 48 -14.110 -8.827 8.428 1.00 2.35 O ATOM 0 H ASP A 48 -11.259 -8.395 4.748 1.00 1.26 H new ATOM 0 HA ASP A 48 -13.780 -9.331 5.605 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -11.859 -8.876 7.086 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -11.929 -7.171 6.688 1.00 1.72 H new ATOM 319 N ILE A 49 -13.684 -6.303 4.394 1.00 1.50 N ATOM 320 CA ILE A 49 -14.511 -5.210 3.919 1.00 1.74 C ATOM 321 C ILE A 49 -15.232 -5.622 2.640 1.00 1.73 C ATOM 322 O ILE A 49 -16.460 -5.710 2.614 1.00 2.08 O ATOM 323 CB ILE A 49 -13.791 -4.118 3.696 1.00 1.98 C ATOM 324 CG1 ILE A 49 -13.007 -3.727 4.943 1.00 2.10 C ATOM 325 CG2 ILE A 49 -14.683 -2.967 3.236 1.00 2.43 C ATOM 326 CD1 ILE A 49 -12.190 -2.462 4.781 1.00 2.59 C ATOM 0 H ILE A 49 -12.700 -6.231 4.137 1.00 1.50 H new ATOM 0 HA ILE A 49 -15.242 -4.981 4.695 1.00 1.74 H new ATOM 0 HB ILE A 49 -13.079 -4.336 2.900 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -13.703 -3.595 5.772 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -12.341 -4.546 5.214 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -14.072 -2.082 3.059 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -15.192 -3.247 2.314 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -15.422 -2.749 4.007 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -11.661 -2.249 5.710 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.469 -2.595 3.975 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.852 -1.630 4.542 1.00 2.59 H new ATOM 338 N THR A 50 -14.456 -5.906 1.593 1.00 1.71 N ATOM 339 CA THR A 50 -14.999 -6.303 0.306 1.00 1.95 C ATOM 340 C THR A 50 -13.871 -6.575 -0.689 1.00 1.90 C ATOM 341 O THR A 50 -12.909 -5.808 -0.776 1.00 2.37 O ATOM 342 CB THR A 50 -15.844 -5.397 -0.189 1.00 2.44 C ATOM 343 OG1 THR A 50 -16.389 -5.856 -1.434 1.00 3.41 O ATOM 344 CG2 THR A 50 -15.191 -4.028 -0.385 1.00 2.45 C ATOM 0 H THR A 50 -13.437 -5.866 1.619 1.00 1.71 H new ATOM 0 HA THR A 50 -15.566 -7.220 0.467 1.00 1.95 H new ATOM 0 HB THR A 50 -16.642 -5.275 0.544 1.00 2.44 H new ATOM 0 HG1 THR A 50 -17.009 -5.184 -1.787 1.00 3.41 H new ATOM 0 HG21 THR A 50 -15.924 -3.330 -0.790 1.00 2.45 H new ATOM 0 HG22 THR A 50 -14.828 -3.658 0.574 1.00 2.45 H new ATOM 0 HG23 THR A 50 -14.355 -4.119 -1.079 1.00 2.45 H new ATOM 352 N GLY A 51 -13.956 -7.712 -1.365 1.00 1.87 N ATOM 353 CA GLY A 51 -12.989 -8.073 -2.369 1.00 2.32 C ATOM 354 C GLY A 51 -11.578 -8.112 -1.835 1.00 1.77 C ATOM 355 O GLY A 51 -11.359 -8.275 -0.638 1.00 2.08 O ATOM 0 H GLY A 51 -14.696 -8.401 -1.228 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -13.245 -9.050 -2.778 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.042 -7.359 -3.191 1.00 2.32 H new ATOM 359 N ARG A 52 -10.639 -7.967 -2.747 1.00 1.46 N ATOM 360 CA ARG A 52 -9.211 -7.906 -2.430 1.00 1.09 C ATOM 361 C ARG A 52 -8.762 -9.112 -1.601 1.00 1.03 C ATOM 362 O ARG A 52 -8.634 -9.032 -0.378 1.00 1.29 O ATOM 363 CB ARG A 52 -8.865 -6.598 -1.702 1.00 1.22 C ATOM 364 CG ARG A 52 -9.188 -5.346 -2.505 1.00 1.55 C ATOM 365 CD ARG A 52 -10.276 -4.512 -1.843 1.00 1.67 C ATOM 366 NE ARG A 52 -9.770 -3.709 -0.725 1.00 1.96 N ATOM 367 CZ ARG A 52 -10.518 -3.309 0.307 1.00 2.47 C ATOM 368 NH1 ARG A 52 -11.767 -3.739 0.433 1.00 2.72 N ATOM 369 NH2 ARG A 52 -10.011 -2.496 1.224 1.00 3.14 N ATOM 0 H ARG A 52 -10.839 -7.886 -3.744 1.00 1.46 H new ATOM 0 HA ARG A 52 -8.670 -7.932 -3.376 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -9.409 -6.563 -0.758 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.803 -6.598 -1.458 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -8.286 -4.744 -2.617 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -9.508 -5.630 -3.508 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -10.725 -3.852 -2.585 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -11.066 -5.171 -1.483 1.00 1.67 H new ATOM 0 HE ARG A 52 -8.786 -3.439 -0.736 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -12.159 -4.377 -0.259 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -12.335 -3.431 1.222 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -9.047 -2.174 1.143 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -10.585 -2.193 2.010 1.00 3.14 H new ATOM 383 N ASP A 53 -8.544 -10.231 -2.277 1.00 0.94 N ATOM 384 CA ASP A 53 -8.087 -11.451 -1.617 1.00 1.00 C ATOM 385 C ASP A 53 -6.582 -11.394 -1.365 1.00 0.89 C ATOM 386 O ASP A 53 -5.818 -10.971 -2.235 1.00 0.82 O ATOM 387 CB ASP A 53 -8.438 -12.676 -2.468 1.00 1.18 C ATOM 388 CG ASP A 53 -7.993 -13.979 -1.832 1.00 1.55 C ATOM 389 OD1 ASP A 53 -8.742 -14.526 -0.996 1.00 1.90 O ATOM 390 OD2 ASP A 53 -6.894 -14.463 -2.165 1.00 2.10 O ATOM 0 H ASP A 53 -8.676 -10.322 -3.284 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.593 -11.535 -0.655 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.516 -12.705 -2.629 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.972 -12.578 -3.448 1.00 1.18 H new ATOM 395 N PRO A 54 -6.142 -11.806 -0.162 1.00 1.02 N ATOM 396 CA PRO A 54 -4.728 -11.763 0.249 1.00 1.10 C ATOM 397 C PRO A 54 -3.776 -12.478 -0.711 1.00 1.03 C ATOM 398 O PRO A 54 -2.638 -12.049 -0.892 1.00 1.68 O ATOM 399 CB PRO A 54 -4.722 -12.465 1.617 1.00 1.35 C ATOM 400 CG PRO A 54 -6.039 -13.157 1.716 1.00 1.43 C ATOM 401 CD PRO A 54 -6.994 -12.330 0.913 1.00 1.25 C ATOM 0 HA PRO A 54 -4.368 -10.734 0.267 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -3.899 -13.176 1.690 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -4.595 -11.746 2.426 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -5.977 -14.173 1.326 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -6.364 -13.233 2.754 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.818 -12.928 0.522 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -7.435 -11.529 1.507 1.00 1.25 H new ATOM 409 N LYS A 55 -4.242 -13.553 -1.333 1.00 0.89 N ATOM 410 CA LYS A 55 -3.391 -14.360 -2.206 1.00 0.96 C ATOM 411 C LYS A 55 -3.594 -13.986 -3.670 1.00 0.82 C ATOM 412 O LYS A 55 -2.985 -14.574 -4.566 1.00 0.92 O ATOM 413 CB LYS A 55 -3.686 -15.851 -2.021 1.00 1.26 C ATOM 414 CG LYS A 55 -3.341 -16.393 -0.644 1.00 1.53 C ATOM 415 CD LYS A 55 -3.585 -17.894 -0.580 1.00 2.06 C ATOM 416 CE LYS A 55 -3.199 -18.478 0.766 1.00 2.89 C ATOM 417 NZ LYS A 55 -3.408 -19.948 0.802 1.00 3.61 N ATOM 0 H LYS A 55 -5.202 -13.888 -1.251 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.356 -14.159 -1.930 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.745 -16.026 -2.212 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.130 -16.415 -2.770 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -2.297 -16.179 -0.415 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.943 -15.889 0.112 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -4.638 -18.098 -0.775 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -3.014 -18.388 -1.366 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -2.153 -18.253 0.975 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -3.790 -18.006 1.551 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -3.134 -20.315 1.736 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -4.411 -20.160 0.627 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -2.825 -20.400 0.068 1.00 3.61 H new ATOM 431 N GLN A 56 -4.443 -13.000 -3.901 1.00 0.72 N ATOM 432 CA GLN A 56 -4.830 -12.606 -5.240 1.00 0.73 C ATOM 433 C GLN A 56 -3.932 -11.479 -5.761 1.00 0.63 C ATOM 434 O GLN A 56 -3.969 -11.123 -6.941 1.00 0.79 O ATOM 435 CB GLN A 56 -6.302 -12.184 -5.192 1.00 0.87 C ATOM 436 CG GLN A 56 -6.796 -11.448 -6.415 1.00 1.32 C ATOM 437 CD GLN A 56 -8.251 -11.047 -6.292 1.00 1.92 C ATOM 438 OE1 GLN A 56 -9.145 -11.793 -6.679 1.00 2.50 O ATOM 439 NE2 GLN A 56 -8.495 -9.865 -5.748 1.00 2.41 N ATOM 0 H GLN A 56 -4.883 -12.451 -3.163 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.709 -13.438 -5.933 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.915 -13.074 -5.050 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.454 -11.550 -4.319 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -6.187 -10.557 -6.572 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -6.668 -12.080 -7.294 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -7.721 -9.276 -5.440 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -9.457 -9.543 -5.637 1.00 2.41 H new ATOM 448 N VAL A 57 -3.097 -10.941 -4.884 1.00 0.52 N ATOM 449 CA VAL A 57 -2.269 -9.791 -5.225 1.00 0.48 C ATOM 450 C VAL A 57 -0.783 -10.129 -5.263 1.00 0.55 C ATOM 451 O VAL A 57 0.013 -9.543 -4.542 1.00 0.97 O ATOM 452 CB VAL A 57 -2.460 -8.791 -4.376 1.00 0.52 C ATOM 453 CG1 VAL A 57 -3.762 -8.067 -4.698 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.470 -9.287 -2.933 1.00 0.58 C ATOM 0 H VAL A 57 -2.974 -11.282 -3.930 1.00 0.52 H new ATOM 0 HA VAL A 57 -2.578 -9.489 -6.226 1.00 0.48 H new ATOM 0 HB VAL A 57 -1.631 -8.092 -4.485 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -3.907 -7.248 -3.993 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -3.716 -7.669 -5.712 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.596 -8.765 -4.619 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.629 -8.445 -2.260 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.274 -10.012 -2.803 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.515 -9.760 -2.704 1.00 0.58 H new ATOM 464 N ILE A 58 -0.394 -11.072 -6.105 1.00 0.51 N ATOM 465 CA ILE A 58 1.022 -11.366 -6.270 1.00 0.57 C ATOM 466 C ILE A 58 1.423 -11.195 -7.726 1.00 0.57 C ATOM 467 O ILE A 58 0.644 -11.508 -8.626 1.00 0.66 O ATOM 468 CB ILE A 58 1.349 -12.587 -5.859 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.689 -12.924 -4.519 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.867 -12.717 -5.739 1.00 1.09 C ATOM 471 CD1 ILE A 58 1.043 -14.299 -3.999 1.00 1.01 C ATOM 0 H ILE A 58 -1.023 -11.638 -6.675 1.00 0.51 H new ATOM 0 HA ILE A 58 1.564 -10.658 -5.643 1.00 0.57 H new ATOM 0 HB ILE A 58 0.984 -13.295 -6.603 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.984 -12.178 -3.781 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.393 -12.854 -4.629 1.00 0.93 H new ATOM 0 HG21 ILE A 58 3.121 -13.722 -5.402 1.00 1.09 H new ATOM 0 HG22 ILE A 58 3.326 -12.534 -6.711 1.00 1.09 H new ATOM 0 HG23 ILE A 58 3.239 -11.988 -5.019 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.540 -14.469 -3.047 1.00 1.01 H new ATOM 0 HD12 ILE A 58 0.723 -15.053 -4.718 1.00 1.01 H new ATOM 0 HD13 ILE A 58 2.121 -14.368 -3.857 1.00 1.01 H new ATOM 483 N GLY A 59 2.605 -10.625 -7.960 1.00 0.59 N ATOM 484 CA GLY A 59 3.041 -10.360 -9.316 1.00 0.66 C ATOM 485 C GLY A 59 2.279 -9.206 -9.918 1.00 0.56 C ATOM 486 O GLY A 59 2.382 -8.927 -11.112 1.00 0.65 O ATOM 0 H GLY A 59 3.264 -10.344 -7.234 1.00 0.59 H new ATOM 0 HA2 GLY A 59 4.108 -10.137 -9.321 1.00 0.66 H new ATOM 0 HA3 GLY A 59 2.899 -11.251 -9.927 1.00 0.66 H new ATOM 490 N LYS A 60 1.515 -8.538 -9.075 1.00 0.48 N ATOM 491 CA LYS A 60 0.625 -7.488 -9.510 1.00 0.45 C ATOM 492 C LYS A 60 1.075 -6.157 -8.946 1.00 0.38 C ATOM 493 O LYS A 60 1.502 -6.083 -7.798 1.00 0.43 O ATOM 494 CB LYS A 60 -0.792 -7.813 -9.047 1.00 0.49 C ATOM 495 CG LYS A 60 -1.466 -8.896 -9.872 1.00 0.80 C ATOM 496 CD LYS A 60 -2.870 -9.184 -9.366 1.00 1.12 C ATOM 497 CE LYS A 60 -3.584 -10.209 -10.237 1.00 1.27 C ATOM 498 NZ LYS A 60 -4.929 -10.554 -9.700 1.00 1.82 N ATOM 0 H LYS A 60 1.497 -8.711 -8.070 1.00 0.48 H new ATOM 0 HA LYS A 60 0.642 -7.420 -10.598 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -0.762 -8.128 -8.004 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -1.396 -6.907 -9.089 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -1.510 -8.586 -10.916 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -0.870 -9.808 -9.835 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -2.819 -9.550 -8.341 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -3.446 -8.259 -9.346 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -3.687 -9.817 -11.249 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -2.978 -11.112 -10.305 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -5.318 -11.360 -10.230 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -4.847 -10.807 -8.695 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -5.563 -9.736 -9.800 1.00 1.82 H new ATOM 512 N ASN A 61 1.000 -5.114 -9.751 1.00 0.43 N ATOM 513 CA ASN A 61 1.393 -3.790 -9.305 1.00 0.42 C ATOM 514 C ASN A 61 0.245 -3.138 -8.546 1.00 0.39 C ATOM 515 O ASN A 61 -0.812 -2.861 -9.118 1.00 0.42 O ATOM 516 CB ASN A 61 1.807 -2.915 -10.492 1.00 0.52 C ATOM 517 CG ASN A 61 2.444 -1.603 -10.061 1.00 0.58 C ATOM 518 OD1 ASN A 61 1.757 -0.618 -9.804 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.766 -1.575 -10.005 1.00 0.71 N ATOM 0 H ASN A 61 0.671 -5.157 -10.716 1.00 0.43 H new ATOM 0 HA ASN A 61 2.251 -3.889 -8.641 1.00 0.42 H new ATOM 0 HB2 ASN A 61 2.509 -3.467 -11.117 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.931 -2.704 -11.106 1.00 0.52 H new ATOM 0 HD21 ASN A 61 4.247 -0.715 -9.741 1.00 0.71 H new ATOM 0 HD22 ASN A 61 4.304 -2.413 -10.225 1.00 0.71 H new ATOM 526 N PHE A 62 0.455 -2.933 -7.249 1.00 0.38 N ATOM 527 CA PHE A 62 -0.523 -2.281 -6.379 1.00 0.40 C ATOM 528 C PHE A 62 -1.070 -1.006 -7.009 1.00 0.47 C ATOM 529 O PHE A 62 -2.277 -0.798 -7.055 1.00 0.70 O ATOM 530 CB PHE A 62 0.133 -1.954 -5.032 1.00 0.43 C ATOM 531 CG PHE A 62 -0.797 -1.349 -4.016 1.00 0.45 C ATOM 532 CD1 PHE A 62 -0.778 0.013 -3.761 1.00 0.51 C ATOM 533 CD2 PHE A 62 -1.702 -2.142 -3.329 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.641 0.571 -2.839 1.00 0.55 C ATOM 535 CE2 PHE A 62 -2.567 -1.591 -2.404 1.00 0.56 C ATOM 536 CZ PHE A 62 -2.493 -0.229 -2.120 1.00 0.53 C ATOM 0 H PHE A 62 1.310 -3.214 -6.769 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.358 -2.965 -6.232 1.00 0.40 H new ATOM 0 HB2 PHE A 62 0.558 -2.868 -4.618 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.961 -1.266 -5.203 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.080 0.645 -4.290 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -1.731 -3.205 -3.519 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.645 1.640 -2.683 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -3.296 -2.212 -1.904 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.104 0.195 -1.337 1.00 0.53 H new ATOM 546 N PHE A 63 -0.172 -0.185 -7.535 1.00 0.46 N ATOM 547 CA PHE A 63 -0.531 1.138 -8.033 1.00 0.55 C ATOM 548 C PHE A 63 -1.144 1.066 -9.429 1.00 0.66 C ATOM 549 O PHE A 63 -1.378 2.092 -10.069 1.00 0.91 O ATOM 550 CB PHE A 63 0.711 2.030 -8.069 1.00 0.57 C ATOM 551 CG PHE A 63 1.468 2.067 -6.771 1.00 0.57 C ATOM 552 CD1 PHE A 63 2.517 1.189 -6.540 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.135 2.979 -5.785 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.217 1.222 -5.350 1.00 1.10 C ATOM 555 CE2 PHE A 63 1.831 3.016 -4.594 1.00 1.04 C ATOM 556 CZ PHE A 63 2.874 2.137 -4.377 1.00 1.16 C ATOM 0 H PHE A 63 0.818 -0.413 -7.629 1.00 0.46 H new ATOM 0 HA PHE A 63 -1.275 1.559 -7.357 1.00 0.55 H new ATOM 0 HB2 PHE A 63 1.377 1.679 -8.857 1.00 0.57 H new ATOM 0 HB3 PHE A 63 0.411 3.044 -8.333 1.00 0.57 H new ATOM 0 HD1 PHE A 63 2.789 0.471 -7.300 1.00 0.82 H new ATOM 0 HD2 PHE A 63 0.321 3.670 -5.949 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.031 0.533 -5.182 1.00 1.10 H new ATOM 0 HE2 PHE A 63 1.560 3.732 -3.832 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.421 2.166 -3.446 1.00 1.16 H new ATOM 566 N LYS A 64 -1.403 -0.144 -9.899 1.00 0.57 N ATOM 567 CA LYS A 64 -1.911 -0.338 -11.245 1.00 0.72 C ATOM 568 C LYS A 64 -3.214 -1.126 -11.228 1.00 0.72 C ATOM 569 O LYS A 64 -4.208 -0.711 -11.826 1.00 0.90 O ATOM 570 CB LYS A 64 -0.875 -1.071 -12.093 1.00 0.82 C ATOM 571 CG LYS A 64 -1.118 -0.964 -13.591 1.00 1.56 C ATOM 572 CD LYS A 64 -0.912 0.459 -14.083 1.00 2.11 C ATOM 573 CE LYS A 64 0.516 0.930 -13.847 1.00 2.85 C ATOM 574 NZ LYS A 64 0.704 2.349 -14.241 1.00 3.58 N ATOM 0 H LYS A 64 -1.270 -1.005 -9.368 1.00 0.57 H new ATOM 0 HA LYS A 64 -2.107 0.642 -11.679 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.114 -0.673 -11.866 1.00 0.82 H new ATOM 0 HB3 LYS A 64 -0.867 -2.124 -11.810 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.442 -1.636 -14.120 1.00 1.56 H new ATOM 0 HG3 LYS A 64 -2.133 -1.287 -13.821 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -1.143 0.514 -15.147 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -1.606 1.126 -13.571 1.00 2.11 H new ATOM 0 HE2 LYS A 64 0.768 0.809 -12.794 1.00 2.85 H new ATOM 0 HE3 LYS A 64 1.204 0.302 -14.413 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 1.689 2.631 -14.065 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 0.488 2.460 -15.252 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 0.066 2.952 -13.683 1.00 3.58 H new ATOM 588 N ASP A 65 -3.205 -2.259 -10.536 1.00 0.60 N ATOM 589 CA ASP A 65 -4.348 -3.168 -10.539 1.00 0.69 C ATOM 590 C ASP A 65 -5.400 -2.793 -9.502 1.00 0.74 C ATOM 591 O ASP A 65 -6.413 -2.178 -9.830 1.00 1.10 O ATOM 592 CB ASP A 65 -3.902 -4.614 -10.312 1.00 0.79 C ATOM 593 CG ASP A 65 -3.708 -5.373 -11.607 1.00 1.38 C ATOM 594 OD1 ASP A 65 -2.541 -5.627 -11.978 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.716 -5.701 -12.268 1.00 2.20 O ATOM 0 H ASP A 65 -2.420 -2.571 -9.965 1.00 0.60 H new ATOM 0 HA ASP A 65 -4.804 -3.077 -11.525 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.969 -4.618 -9.749 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -4.645 -5.128 -9.702 1.00 0.79 H new ATOM 600 N VAL A 66 -5.155 -3.158 -8.247 1.00 0.70 N ATOM 601 CA VAL A 66 -6.190 -3.074 -7.220 1.00 0.82 C ATOM 602 C VAL A 66 -6.122 -1.743 -6.467 1.00 0.70 C ATOM 603 O VAL A 66 -6.683 -1.594 -5.382 1.00 0.80 O ATOM 604 CB VAL A 66 -6.107 -4.079 -6.347 1.00 1.05 C ATOM 605 CG1 VAL A 66 -7.467 -4.358 -5.712 1.00 1.45 C ATOM 606 CG2 VAL A 66 -5.546 -5.347 -6.983 1.00 1.77 C ATOM 0 H VAL A 66 -4.257 -3.512 -7.918 1.00 0.70 H new ATOM 0 HA VAL A 66 -7.146 -3.143 -7.740 1.00 0.82 H new ATOM 0 HB VAL A 66 -5.411 -3.769 -5.567 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -7.376 -5.181 -5.003 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -7.814 -3.467 -5.190 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -8.183 -4.626 -6.489 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -5.497 -6.138 -6.235 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -6.194 -5.661 -7.801 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.546 -5.149 -7.368 1.00 1.77 H new ATOM 616 N ALA A 67 -5.418 -0.778 -7.042 1.00 0.56 N ATOM 617 CA ALA A 67 -5.308 0.548 -6.447 1.00 0.53 C ATOM 618 C ALA A 67 -4.749 1.552 -7.455 1.00 0.49 C ATOM 619 O ALA A 67 -3.608 1.999 -7.338 1.00 0.61 O ATOM 620 CB ALA A 67 -4.442 0.501 -5.196 1.00 0.60 C ATOM 0 H ALA A 67 -4.913 -0.888 -7.922 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.307 0.878 -6.161 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.371 1.500 -4.765 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.889 -0.177 -4.469 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.445 0.147 -5.457 1.00 0.60 H new ATOM 626 N PRO A 68 -5.544 1.908 -8.477 1.00 0.44 N ATOM 627 CA PRO A 68 -5.119 2.826 -9.530 1.00 0.47 C ATOM 628 C PRO A 68 -5.202 4.294 -9.117 1.00 0.55 C ATOM 629 O PRO A 68 -4.776 5.177 -9.863 1.00 0.81 O ATOM 630 CB PRO A 68 -6.100 2.544 -10.683 1.00 0.56 C ATOM 631 CG PRO A 68 -6.985 1.430 -10.214 1.00 0.69 C ATOM 632 CD PRO A 68 -6.904 1.425 -8.715 1.00 0.47 C ATOM 0 HA PRO A 68 -4.072 2.667 -9.789 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -6.685 3.432 -10.922 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.565 2.261 -11.589 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -8.012 1.584 -10.547 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -6.657 0.475 -10.624 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.652 2.077 -8.265 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.060 0.428 -8.302 1.00 0.47 H new ATOM 640 N CYS A 69 -5.756 4.567 -7.938 1.00 0.51 N ATOM 641 CA CYS A 69 -5.801 5.937 -7.448 1.00 0.61 C ATOM 642 C CYS A 69 -4.488 6.269 -6.752 1.00 0.59 C ATOM 643 O CYS A 69 -3.911 7.318 -7.031 1.00 0.81 O ATOM 644 CB CYS A 69 -6.994 6.184 -6.508 1.00 0.85 C ATOM 645 SG CYS A 69 -6.778 5.633 -4.777 1.00 0.81 S ATOM 0 H CYS A 69 -6.171 3.872 -7.317 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.939 6.596 -8.305 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.213 7.252 -6.504 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.868 5.681 -6.922 1.00 0.85 H new ATOM 0 HG CYS A 69 -5.747 4.845 -4.698 1.00 0.81 H new ATOM 650 N THR A 70 -3.822 5.206 -6.331 1.00 0.61 N ATOM 651 CA THR A 70 -2.800 5.303 -5.311 1.00 0.58 C ATOM 652 C THR A 70 -1.492 5.814 -5.912 1.00 0.55 C ATOM 653 O THR A 70 -0.746 6.564 -5.275 1.00 0.64 O ATOM 654 CB THR A 70 -2.611 4.117 -4.778 1.00 0.63 C ATOM 655 OG1 THR A 70 -3.876 3.449 -4.665 1.00 1.33 O ATOM 656 CG2 THR A 70 -1.975 4.220 -3.405 1.00 1.07 C ATOM 0 H THR A 70 -3.975 4.262 -6.685 1.00 0.61 H new ATOM 0 HA THR A 70 -3.125 6.006 -4.544 1.00 0.58 H new ATOM 0 HB THR A 70 -1.936 3.554 -5.422 1.00 0.63 H new ATOM 0 HG1 THR A 70 -3.981 3.100 -3.755 1.00 1.33 H new ATOM 0 HG21 THR A 70 -1.833 3.221 -2.994 1.00 1.07 H new ATOM 0 HG22 THR A 70 -1.009 4.719 -3.488 1.00 1.07 H new ATOM 0 HG23 THR A 70 -2.625 4.795 -2.745 1.00 1.07 H new ATOM 664 N ASP A 71 -1.252 5.447 -7.168 1.00 0.55 N ATOM 665 CA ASP A 71 -0.080 5.916 -7.900 1.00 0.63 C ATOM 666 C ASP A 71 -0.137 7.432 -8.060 1.00 0.70 C ATOM 667 O ASP A 71 -0.966 7.960 -8.804 1.00 0.88 O ATOM 668 CB ASP A 71 -0.013 5.244 -9.271 1.00 0.76 C ATOM 669 CG ASP A 71 1.263 5.565 -10.027 1.00 0.96 C ATOM 670 OD1 ASP A 71 1.390 6.696 -10.547 1.00 1.85 O ATOM 671 OD2 ASP A 71 2.134 4.678 -10.127 1.00 1.34 O ATOM 0 H ASP A 71 -1.857 4.823 -7.702 1.00 0.55 H new ATOM 0 HA ASP A 71 0.816 5.654 -7.337 1.00 0.63 H new ATOM 0 HB2 ASP A 71 -0.092 4.164 -9.144 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.870 5.559 -9.866 1.00 0.76 H new ATOM 676 N SER A 72 0.729 8.126 -7.336 1.00 0.66 N ATOM 677 CA SER A 72 0.738 9.586 -7.311 1.00 0.77 C ATOM 678 C SER A 72 2.071 10.078 -6.751 1.00 0.76 C ATOM 679 O SER A 72 2.735 9.352 -6.016 1.00 0.71 O ATOM 680 CB SER A 72 -0.414 10.123 -6.442 1.00 0.88 C ATOM 681 OG SER A 72 -1.683 9.748 -6.956 1.00 1.56 O ATOM 0 H SER A 72 1.445 7.697 -6.750 1.00 0.66 H new ATOM 0 HA SER A 72 0.606 9.952 -8.329 1.00 0.77 H new ATOM 0 HB2 SER A 72 -0.308 9.746 -5.425 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.351 11.210 -6.387 1.00 0.88 H new ATOM 0 HG SER A 72 -1.574 9.374 -7.855 1.00 1.56 H new ATOM 687 N PRO A 73 2.488 11.308 -7.084 1.00 0.90 N ATOM 688 CA PRO A 73 3.728 11.891 -6.549 1.00 0.99 C ATOM 689 C PRO A 73 3.709 11.970 -5.023 1.00 0.96 C ATOM 690 O PRO A 73 4.736 11.804 -4.364 1.00 1.05 O ATOM 691 CB PRO A 73 3.762 13.298 -7.160 1.00 1.13 C ATOM 692 CG PRO A 73 2.883 13.216 -8.361 1.00 1.17 C ATOM 693 CD PRO A 73 1.811 12.224 -8.017 1.00 1.05 C ATOM 0 HA PRO A 73 4.603 11.290 -6.797 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.398 14.044 -6.454 1.00 1.13 H new ATOM 0 HB3 PRO A 73 4.777 13.586 -7.432 1.00 1.13 H new ATOM 0 HG2 PRO A 73 2.453 14.189 -8.598 1.00 1.17 H new ATOM 0 HG3 PRO A 73 3.447 12.894 -9.237 1.00 1.17 H new ATOM 0 HD2 PRO A 73 0.950 12.706 -7.554 1.00 1.05 H new ATOM 0 HD3 PRO A 73 1.447 11.701 -8.902 1.00 1.05 H new ATOM 701 N GLU A 74 2.520 12.180 -4.473 1.00 0.91 N ATOM 702 CA GLU A 74 2.349 12.356 -3.035 1.00 0.96 C ATOM 703 C GLU A 74 2.337 11.027 -2.281 1.00 0.93 C ATOM 704 O GLU A 74 2.389 11.008 -1.054 1.00 1.25 O ATOM 705 CB GLU A 74 1.061 13.136 -2.758 1.00 1.07 C ATOM 706 CG GLU A 74 -0.169 12.551 -3.437 1.00 0.90 C ATOM 707 CD GLU A 74 -1.388 13.442 -3.314 1.00 1.59 C ATOM 708 OE1 GLU A 74 -2.250 13.157 -2.453 1.00 2.56 O ATOM 709 OE2 GLU A 74 -1.483 14.436 -4.060 1.00 1.58 O ATOM 0 H GLU A 74 1.652 12.233 -5.006 1.00 0.91 H new ATOM 0 HA GLU A 74 3.207 12.920 -2.670 1.00 0.96 H new ATOM 0 HB2 GLU A 74 0.890 13.167 -1.682 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.192 14.166 -3.090 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.049 12.385 -4.492 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.391 11.577 -3.000 1.00 0.90 H new ATOM 716 N PHE A 75 2.277 9.914 -3.002 1.00 0.80 N ATOM 717 CA PHE A 75 2.263 8.605 -2.357 1.00 0.79 C ATOM 718 C PHE A 75 3.303 7.684 -2.980 1.00 0.66 C ATOM 719 O PHE A 75 4.286 7.326 -2.337 1.00 0.66 O ATOM 720 CB PHE A 75 0.877 7.961 -2.443 1.00 0.87 C ATOM 721 CG PHE A 75 0.775 6.683 -1.661 1.00 1.53 C ATOM 722 CD1 PHE A 75 1.007 5.464 -2.275 1.00 2.26 C ATOM 723 CD2 PHE A 75 0.436 6.696 -0.317 1.00 1.74 C ATOM 724 CE1 PHE A 75 0.905 4.283 -1.565 1.00 3.20 C ATOM 725 CE2 PHE A 75 0.335 5.519 0.398 1.00 2.61 C ATOM 726 CZ PHE A 75 0.603 4.324 -0.200 1.00 3.36 C ATOM 0 H PHE A 75 2.238 9.889 -4.021 1.00 0.80 H new ATOM 0 HA PHE A 75 2.510 8.754 -1.306 1.00 0.79 H new ATOM 0 HB2 PHE A 75 0.131 8.666 -2.076 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.639 7.761 -3.488 1.00 0.87 H new ATOM 0 HD1 PHE A 75 1.271 5.436 -3.322 1.00 2.26 H new ATOM 0 HD2 PHE A 75 0.249 7.638 0.177 1.00 1.74 H new ATOM 0 HE1 PHE A 75 1.057 3.335 -2.060 1.00 3.20 H new ATOM 0 HE2 PHE A 75 0.042 5.546 1.437 1.00 2.61 H new ATOM 0 HZ PHE A 75 0.582 3.412 0.378 1.00 3.36 H new ATOM 736 N TYR A 76 3.073 7.306 -4.233 1.00 0.59 N ATOM 737 CA TYR A 76 4.005 6.461 -4.974 1.00 0.50 C ATOM 738 C TYR A 76 5.386 7.105 -5.015 1.00 0.47 C ATOM 739 O TYR A 76 6.395 6.431 -4.838 1.00 0.49 O ATOM 740 CB TYR A 76 3.484 6.215 -6.398 1.00 0.51 C ATOM 741 CG TYR A 76 4.421 5.409 -7.272 1.00 0.49 C ATOM 742 CD1 TYR A 76 5.119 6.006 -8.315 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.609 4.051 -7.048 1.00 0.51 C ATOM 744 CE1 TYR A 76 5.974 5.270 -9.115 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.462 3.308 -7.841 1.00 0.59 C ATOM 746 CZ TYR A 76 6.145 3.936 -8.885 1.00 0.65 C ATOM 747 OH TYR A 76 6.984 3.176 -9.670 1.00 0.79 O ATOM 0 H TYR A 76 2.242 7.574 -4.761 1.00 0.59 H new ATOM 0 HA TYR A 76 4.087 5.501 -4.464 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.526 5.698 -6.338 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.297 7.177 -6.876 1.00 0.51 H new ATOM 0 HD1 TYR A 76 4.992 7.062 -8.504 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.079 3.568 -6.240 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.506 5.751 -9.922 1.00 0.66 H new ATOM 0 HE2 TYR A 76 5.599 2.253 -7.656 1.00 0.59 H new ATOM 0 HH TYR A 76 6.977 2.249 -9.353 1.00 0.79 H new ATOM 757 N GLY A 77 5.416 8.417 -5.226 1.00 0.48 N ATOM 758 CA GLY A 77 6.671 9.146 -5.229 1.00 0.50 C ATOM 759 C GLY A 77 7.407 9.045 -3.906 1.00 0.52 C ATOM 760 O GLY A 77 8.636 9.001 -3.873 1.00 0.60 O ATOM 0 H GLY A 77 4.590 8.990 -5.396 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.308 8.762 -6.025 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.477 10.195 -5.454 1.00 0.50 H new ATOM 764 N LYS A 78 6.654 8.992 -2.814 1.00 0.53 N ATOM 765 CA LYS A 78 7.239 8.884 -1.486 1.00 0.60 C ATOM 766 C LYS A 78 7.653 7.445 -1.208 1.00 0.59 C ATOM 767 O LYS A 78 8.679 7.193 -0.579 1.00 0.66 O ATOM 768 CB LYS A 78 6.249 9.378 -0.429 1.00 0.69 C ATOM 769 CG LYS A 78 5.783 10.807 -0.664 1.00 0.77 C ATOM 770 CD LYS A 78 6.951 11.780 -0.637 1.00 1.17 C ATOM 771 CE LYS A 78 6.542 13.159 -1.126 1.00 1.41 C ATOM 772 NZ LYS A 78 7.665 14.131 -1.043 1.00 2.09 N ATOM 0 H LYS A 78 5.634 9.022 -2.824 1.00 0.53 H new ATOM 0 HA LYS A 78 8.129 9.511 -1.441 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.382 8.718 -0.416 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.715 9.312 0.554 1.00 0.69 H new ATOM 0 HG2 LYS A 78 5.274 10.872 -1.626 1.00 0.77 H new ATOM 0 HG3 LYS A 78 5.057 11.085 0.100 1.00 0.77 H new ATOM 0 HD2 LYS A 78 7.340 11.854 0.379 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.759 11.397 -1.261 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.196 13.091 -2.157 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.703 13.521 -0.532 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 7.346 15.060 -1.385 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 7.979 14.215 -0.055 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 8.456 13.798 -1.630 1.00 2.09 H new ATOM 786 N PHE A 79 6.845 6.509 -1.693 1.00 0.52 N ATOM 787 CA PHE A 79 7.185 5.092 -1.654 1.00 0.50 C ATOM 788 C PHE A 79 8.511 4.868 -2.376 1.00 0.51 C ATOM 789 O PHE A 79 9.400 4.181 -1.883 1.00 0.56 O ATOM 790 CB PHE A 79 6.055 4.277 -2.310 1.00 0.48 C ATOM 791 CG PHE A 79 6.330 2.805 -2.418 1.00 0.51 C ATOM 792 CD1 PHE A 79 5.836 1.930 -1.464 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.082 2.294 -3.468 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.077 0.578 -1.558 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.326 0.944 -3.562 1.00 0.61 C ATOM 796 CZ PHE A 79 6.854 0.094 -2.627 1.00 0.65 C ATOM 0 H PHE A 79 5.941 6.709 -2.122 1.00 0.52 H new ATOM 0 HA PHE A 79 7.295 4.762 -0.621 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.140 4.421 -1.736 1.00 0.48 H new ATOM 0 HB3 PHE A 79 5.871 4.673 -3.309 1.00 0.48 H new ATOM 0 HD1 PHE A 79 5.256 2.313 -0.638 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.479 2.963 -4.217 1.00 0.53 H new ATOM 0 HE1 PHE A 79 5.675 -0.102 -0.821 1.00 0.67 H new ATOM 0 HE2 PHE A 79 7.901 0.561 -4.392 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.073 -0.961 -2.699 1.00 0.65 H new ATOM 806 N LYS A 80 8.647 5.497 -3.530 1.00 0.51 N ATOM 807 CA LYS A 80 9.832 5.331 -4.365 1.00 0.58 C ATOM 808 C LYS A 80 11.026 6.096 -3.810 1.00 0.63 C ATOM 809 O LYS A 80 12.170 5.800 -4.155 1.00 0.66 O ATOM 810 CB LYS A 80 9.547 5.792 -5.793 1.00 0.64 C ATOM 811 CG LYS A 80 8.522 4.934 -6.507 1.00 0.69 C ATOM 812 CD LYS A 80 9.023 3.512 -6.708 1.00 0.72 C ATOM 813 CE LYS A 80 10.198 3.469 -7.673 1.00 0.93 C ATOM 814 NZ LYS A 80 10.558 2.079 -8.058 1.00 1.09 N ATOM 0 H LYS A 80 7.948 6.132 -3.915 1.00 0.51 H new ATOM 0 HA LYS A 80 10.080 4.270 -4.367 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.195 6.823 -5.771 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.477 5.784 -6.362 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.597 4.916 -5.931 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.286 5.377 -7.474 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.323 3.091 -5.748 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.214 2.890 -7.090 1.00 0.72 H new ATOM 0 HE2 LYS A 80 9.952 4.040 -8.568 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.061 3.952 -7.214 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.532 2.061 -8.423 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 10.488 1.459 -7.226 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 9.906 1.743 -8.795 1.00 1.09 H new ATOM 828 N GLU A 81 10.761 7.066 -2.944 1.00 0.67 N ATOM 829 CA GLU A 81 11.818 7.913 -2.407 1.00 0.78 C ATOM 830 C GLU A 81 12.728 7.092 -1.500 1.00 0.67 C ATOM 831 O GLU A 81 13.950 7.243 -1.526 1.00 0.70 O ATOM 832 CB GLU A 81 11.208 9.105 -1.656 1.00 0.94 C ATOM 833 CG GLU A 81 12.155 10.282 -1.479 1.00 1.25 C ATOM 834 CD GLU A 81 12.763 10.360 -0.094 1.00 1.57 C ATOM 835 OE1 GLU A 81 13.901 9.886 0.093 1.00 2.07 O ATOM 836 OE2 GLU A 81 12.109 10.921 0.811 1.00 2.04 O ATOM 0 H GLU A 81 9.826 7.285 -2.599 1.00 0.67 H new ATOM 0 HA GLU A 81 12.420 8.306 -3.226 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.322 9.444 -2.193 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.876 8.769 -0.674 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.955 10.209 -2.216 1.00 1.25 H new ATOM 0 HG3 GLU A 81 11.616 11.207 -1.684 1.00 1.25 H new ATOM 843 N GLY A 82 12.126 6.185 -0.739 1.00 0.62 N ATOM 844 CA GLY A 82 12.896 5.327 0.141 1.00 0.62 C ATOM 845 C GLY A 82 13.668 4.284 -0.638 1.00 0.62 C ATOM 846 O GLY A 82 14.854 4.060 -0.392 1.00 0.72 O ATOM 0 H GLY A 82 11.118 6.029 -0.716 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.588 5.932 0.726 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.228 4.834 0.847 1.00 0.62 H new ATOM 850 N VAL A 83 12.977 3.654 -1.587 1.00 0.58 N ATOM 851 CA VAL A 83 13.579 2.677 -2.495 1.00 0.66 C ATOM 852 C VAL A 83 14.843 3.234 -3.141 1.00 0.73 C ATOM 853 O VAL A 83 15.897 2.597 -3.129 1.00 0.85 O ATOM 854 CB VAL A 83 12.735 2.350 -3.466 1.00 0.68 C ATOM 855 CG1 VAL A 83 13.297 1.219 -4.323 1.00 0.83 C ATOM 856 CG2 VAL A 83 11.366 1.979 -2.925 1.00 0.65 C ATOM 0 H VAL A 83 11.982 3.807 -1.749 1.00 0.58 H new ATOM 0 HA VAL A 83 13.823 1.798 -1.898 1.00 0.66 H new ATOM 0 HB VAL A 83 12.613 3.232 -4.094 1.00 0.68 H new ATOM 0 HG11 VAL A 83 12.585 0.971 -5.111 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.239 1.536 -4.771 1.00 0.83 H new ATOM 0 HG13 VAL A 83 13.469 0.341 -3.700 1.00 0.83 H new ATOM 0 HG21 VAL A 83 10.706 1.718 -3.753 1.00 0.65 H new ATOM 0 HG22 VAL A 83 11.459 1.126 -2.253 1.00 0.65 H new ATOM 0 HG23 VAL A 83 10.948 2.826 -2.381 1.00 0.65 H new ATOM 866 N ALA A 84 14.733 4.452 -3.664 1.00 0.70 N ATOM 867 CA ALA A 84 15.817 5.083 -4.412 1.00 0.81 C ATOM 868 C ALA A 84 17.067 5.273 -3.557 1.00 0.92 C ATOM 869 O ALA A 84 18.170 5.425 -4.083 1.00 1.14 O ATOM 870 CB ALA A 84 15.353 6.416 -4.973 1.00 0.85 C ATOM 0 H ALA A 84 13.895 5.027 -3.582 1.00 0.70 H new ATOM 0 HA ALA A 84 16.084 4.417 -5.233 1.00 0.81 H new ATOM 0 HB1 ALA A 84 16.167 6.880 -5.529 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.505 6.255 -5.638 1.00 0.85 H new ATOM 0 HB3 ALA A 84 15.054 7.071 -4.155 1.00 0.85 H new ATOM 876 N SER A 85 16.898 5.256 -2.244 1.00 0.92 N ATOM 877 CA SER A 85 18.023 5.396 -1.342 1.00 1.12 C ATOM 878 C SER A 85 18.468 4.028 -0.828 1.00 1.16 C ATOM 879 O SER A 85 19.415 3.435 -1.347 1.00 1.40 O ATOM 880 CB SER A 85 17.672 6.320 -0.179 1.00 1.38 C ATOM 881 OG SER A 85 18.813 6.599 0.622 1.00 1.82 O ATOM 0 H SER A 85 15.994 5.147 -1.783 1.00 0.92 H new ATOM 0 HA SER A 85 18.851 5.843 -1.893 1.00 1.12 H new ATOM 0 HB2 SER A 85 17.259 7.252 -0.564 1.00 1.38 H new ATOM 0 HB3 SER A 85 16.899 5.858 0.435 1.00 1.38 H new ATOM 0 HG SER A 85 18.559 7.194 1.358 1.00 1.82 H new ATOM 887 N GLY A 86 17.776 3.531 0.187 1.00 1.12 N ATOM 888 CA GLY A 86 18.153 2.271 0.797 1.00 1.47 C ATOM 889 C GLY A 86 17.091 1.767 1.742 1.00 1.35 C ATOM 890 O GLY A 86 16.531 0.682 1.561 1.00 1.65 O ATOM 0 H GLY A 86 16.958 3.979 0.600 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.329 1.529 0.019 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.091 2.395 1.337 1.00 1.47 H new ATOM 894 N ASN A 87 16.823 2.565 2.764 1.00 1.30 N ATOM 895 CA ASN A 87 15.831 2.226 3.766 1.00 1.28 C ATOM 896 C ASN A 87 14.530 2.939 3.456 1.00 0.81 C ATOM 897 O ASN A 87 14.520 4.144 3.205 1.00 1.19 O ATOM 898 CB ASN A 87 16.306 2.626 5.169 1.00 1.94 C ATOM 899 CG ASN A 87 17.636 2.008 5.548 1.00 2.79 C ATOM 900 OD1 ASN A 87 17.692 0.897 6.083 1.00 3.50 O ATOM 901 ND2 ASN A 87 18.717 2.727 5.282 1.00 3.16 N ATOM 0 H ASN A 87 17.286 3.461 2.920 1.00 1.30 H new ATOM 0 HA ASN A 87 15.680 1.147 3.745 1.00 1.28 H new ATOM 0 HB2 ASN A 87 16.389 3.712 5.222 1.00 1.94 H new ATOM 0 HB3 ASN A 87 15.553 2.328 5.899 1.00 1.94 H new ATOM 0 HD21 ASN A 87 19.641 2.366 5.521 1.00 3.16 H new ATOM 0 HD22 ASN A 87 18.625 3.641 4.839 1.00 3.16 H new ATOM 908 N LEU A 88 13.438 2.204 3.462 1.00 0.61 N ATOM 909 CA LEU A 88 12.147 2.793 3.218 1.00 0.75 C ATOM 910 C LEU A 88 11.302 2.659 4.468 1.00 0.56 C ATOM 911 O LEU A 88 10.840 1.570 4.794 1.00 1.00 O ATOM 912 CB LEU A 88 11.447 2.112 2.036 1.00 1.61 C ATOM 913 CG LEU A 88 10.454 2.978 1.242 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.663 2.111 0.280 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.508 3.744 2.156 1.00 2.90 C ATOM 0 H LEU A 88 13.423 1.199 3.633 1.00 0.61 H new ATOM 0 HA LEU A 88 12.279 3.846 2.968 1.00 0.75 H new ATOM 0 HB2 LEU A 88 12.211 1.750 1.348 1.00 1.61 H new ATOM 0 HB3 LEU A 88 10.915 1.238 2.411 1.00 1.61 H new ATOM 0 HG LEU A 88 11.032 3.712 0.681 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.962 2.732 -0.278 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.346 1.621 -0.414 1.00 2.96 H new ATOM 0 HD13 LEU A 88 9.112 1.356 0.840 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.825 4.342 1.553 1.00 2.90 H new ATOM 0 HD22 LEU A 88 8.937 3.040 2.761 1.00 2.90 H new ATOM 0 HD23 LEU A 88 10.084 4.399 2.809 1.00 2.90 H new ATOM 927 N ASN A 89 11.142 3.749 5.186 1.00 0.54 N ATOM 928 CA ASN A 89 10.216 3.778 6.298 1.00 0.47 C ATOM 929 C ASN A 89 9.645 5.176 6.470 1.00 0.59 C ATOM 930 O ASN A 89 10.260 6.067 7.056 1.00 0.97 O ATOM 931 CB ASN A 89 10.850 3.251 7.594 1.00 0.50 C ATOM 932 CG ASN A 89 12.001 4.086 8.130 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.783 4.672 7.376 1.00 2.24 O ATOM 934 ND2 ASN A 89 12.105 4.146 9.450 1.00 1.82 N ATOM 0 H ASN A 89 11.639 4.624 5.021 1.00 0.54 H new ATOM 0 HA ASN A 89 9.393 3.101 6.069 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.077 3.190 8.360 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.207 2.236 7.420 1.00 0.50 H new ATOM 0 HD21 ASN A 89 12.853 4.692 9.878 1.00 1.82 H new ATOM 0 HD22 ASN A 89 11.437 3.646 10.037 1.00 1.82 H new ATOM 941 N THR A 90 8.480 5.381 5.885 1.00 0.51 N ATOM 942 CA THR A 90 7.805 6.661 5.944 1.00 0.61 C ATOM 943 C THR A 90 6.301 6.449 6.061 1.00 0.53 C ATOM 944 O THR A 90 5.771 5.455 5.564 1.00 0.51 O ATOM 945 CB THR A 90 8.074 7.394 4.866 1.00 0.75 C ATOM 946 OG1 THR A 90 9.495 7.425 4.650 1.00 1.63 O ATOM 947 CG2 THR A 90 7.557 8.822 4.990 1.00 1.39 C ATOM 0 H THR A 90 7.977 4.667 5.358 1.00 0.51 H new ATOM 0 HA THR A 90 8.167 7.197 6.822 1.00 0.61 H new ATOM 0 HB THR A 90 7.565 6.929 4.022 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.693 7.963 3.855 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.802 9.378 4.085 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.475 8.807 5.125 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.023 9.304 5.849 1.00 1.39 H new ATOM 955 N MET A 91 5.635 7.323 6.794 1.00 0.55 N ATOM 956 CA MET A 91 4.188 7.290 6.886 1.00 0.51 C ATOM 957 C MET A 91 3.610 8.604 6.382 1.00 0.57 C ATOM 958 O MET A 91 3.896 9.672 6.922 1.00 0.75 O ATOM 959 CB MET A 91 3.715 7.002 8.321 1.00 0.60 C ATOM 960 CG MET A 91 4.197 7.999 9.371 1.00 1.14 C ATOM 961 SD MET A 91 5.968 7.882 9.699 1.00 1.61 S ATOM 962 CE MET A 91 6.154 9.134 10.966 1.00 1.77 C ATOM 0 H MET A 91 6.076 8.066 7.336 1.00 0.55 H new ATOM 0 HA MET A 91 3.826 6.475 6.259 1.00 0.51 H new ATOM 0 HB2 MET A 91 2.625 6.984 8.332 1.00 0.60 H new ATOM 0 HB3 MET A 91 4.053 6.006 8.606 1.00 0.60 H new ATOM 0 HG2 MET A 91 3.961 9.010 9.039 1.00 1.14 H new ATOM 0 HG3 MET A 91 3.650 7.833 10.299 1.00 1.14 H new ATOM 0 HE1 MET A 91 7.198 9.185 11.276 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.845 10.101 10.570 1.00 1.77 H new ATOM 0 HE3 MET A 91 5.532 8.878 11.824 1.00 1.77 H new ATOM 972 N PHE A 92 2.827 8.524 5.325 1.00 0.49 N ATOM 973 CA PHE A 92 2.200 9.703 4.754 1.00 0.55 C ATOM 974 C PHE A 92 0.695 9.522 4.775 1.00 0.48 C ATOM 975 O PHE A 92 0.207 8.399 4.749 1.00 0.47 O ATOM 976 CB PHE A 92 2.678 9.931 3.318 1.00 0.72 C ATOM 977 CG PHE A 92 2.271 11.258 2.740 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.175 11.356 1.897 1.00 1.25 C ATOM 979 CD2 PHE A 92 2.985 12.405 3.042 1.00 1.83 C ATOM 980 CE1 PHE A 92 0.799 12.575 1.365 1.00 2.19 C ATOM 981 CE2 PHE A 92 2.614 13.625 2.513 1.00 2.86 C ATOM 982 CZ PHE A 92 1.520 13.711 1.673 1.00 3.01 C ATOM 0 H PHE A 92 2.608 7.653 4.842 1.00 0.49 H new ATOM 0 HA PHE A 92 2.477 10.575 5.346 1.00 0.55 H new ATOM 0 HB2 PHE A 92 3.765 9.853 3.291 1.00 0.72 H new ATOM 0 HB3 PHE A 92 2.286 9.135 2.685 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.608 10.470 1.653 1.00 1.25 H new ATOM 0 HD2 PHE A 92 3.841 12.345 3.698 1.00 1.83 H new ATOM 0 HE1 PHE A 92 -0.057 12.639 0.710 1.00 2.19 H new ATOM 0 HE2 PHE A 92 3.179 14.513 2.756 1.00 2.86 H new ATOM 0 HZ PHE A 92 1.230 14.665 1.258 1.00 3.01 H new ATOM 992 N GLU A 93 -0.035 10.614 4.803 1.00 0.48 N ATOM 993 CA GLU A 93 -1.480 10.539 4.873 1.00 0.47 C ATOM 994 C GLU A 93 -2.096 10.827 3.513 1.00 0.45 C ATOM 995 O GLU A 93 -2.189 11.976 3.073 1.00 0.53 O ATOM 996 CB GLU A 93 -2.019 11.488 5.944 1.00 0.58 C ATOM 997 CG GLU A 93 -1.390 12.871 5.921 1.00 1.30 C ATOM 998 CD GLU A 93 -1.905 13.749 7.034 1.00 1.73 C ATOM 999 OE1 GLU A 93 -2.929 14.431 6.832 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -1.281 13.764 8.113 1.00 2.04 O ATOM 0 H GLU A 93 0.344 11.561 4.779 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.762 9.525 5.158 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -3.097 11.589 5.816 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -1.855 11.042 6.925 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -0.307 12.777 6.006 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -1.595 13.346 4.961 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.529 9.760 2.866 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.024 9.826 1.505 1.00 0.51 C ATOM 1009 C TYR A 94 -4.526 9.572 1.485 1.00 0.42 C ATOM 1010 O TYR A 94 -5.086 9.026 2.439 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.279 8.796 0.644 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.616 8.847 -0.832 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -3.266 7.789 -1.451 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.280 9.951 -1.604 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.570 7.828 -2.798 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.585 9.998 -2.951 1.00 1.83 C ATOM 1017 CZ TYR A 94 -3.241 8.946 -3.539 1.00 2.64 C ATOM 1018 OH TYR A 94 -3.516 8.969 -4.886 1.00 3.37 O ATOM 0 H TYR A 94 -2.547 8.824 3.270 1.00 0.44 H new ATOM 0 HA TYR A 94 -2.845 10.820 1.094 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.207 8.949 0.764 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.502 7.798 1.020 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.539 6.920 -0.870 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.772 10.786 -1.145 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -4.062 6.990 -3.269 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.308 10.860 -3.539 1.00 1.83 H new ATOM 0 HH TYR A 94 -2.724 9.272 -5.376 1.00 3.37 H new ATOM 1028 N THR A 95 -5.170 9.971 0.401 1.00 0.46 N ATOM 1029 CA THR A 95 -6.603 9.819 0.269 1.00 0.46 C ATOM 1030 C THR A 95 -6.945 8.661 -0.665 1.00 0.47 C ATOM 1031 O THR A 95 -6.399 8.554 -1.762 1.00 0.60 O ATOM 1032 CB THR A 95 -7.143 10.934 -0.196 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.638 12.058 0.545 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.662 10.912 -0.107 1.00 1.09 C ATOM 0 H THR A 95 -4.717 10.405 -0.403 1.00 0.46 H new ATOM 0 HA THR A 95 -7.009 9.605 1.258 1.00 0.46 H new ATOM 0 HB THR A 95 -6.871 11.020 -1.248 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.037 12.884 0.199 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.063 11.847 -0.499 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.049 10.077 -0.692 1.00 1.09 H new ATOM 0 HG23 THR A 95 -8.964 10.796 0.934 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.814 7.775 -0.203 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.321 6.693 -1.035 1.00 0.53 C ATOM 1044 C PHE A 96 -9.732 7.045 -1.476 1.00 0.62 C ATOM 1045 O PHE A 96 -10.670 6.999 -0.681 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.317 5.365 -0.272 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.939 4.884 0.087 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.933 4.846 -0.866 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.653 4.463 1.374 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.667 4.398 -0.540 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.388 4.015 1.706 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.395 3.982 0.748 1.00 1.03 C ATOM 0 H PHE A 96 -8.184 7.784 0.747 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.676 6.573 -1.905 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.903 5.477 0.640 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.812 4.606 -0.877 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.141 5.170 -1.875 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.427 4.485 2.127 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.892 4.373 -1.292 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.177 3.691 2.714 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.407 3.631 1.006 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.860 7.442 -2.734 1.00 0.66 N ATOM 1063 CA ASP A 97 -11.125 7.949 -3.258 1.00 0.88 C ATOM 1064 C ASP A 97 -11.602 7.145 -4.458 1.00 0.95 C ATOM 1065 O ASP A 97 -12.575 7.514 -5.117 1.00 1.74 O ATOM 1066 CB ASP A 97 -10.971 9.417 -3.659 1.00 1.17 C ATOM 1067 CG ASP A 97 -9.825 9.638 -4.628 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.012 9.434 -5.844 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -8.730 10.026 -4.176 1.00 2.57 O ATOM 0 H ASP A 97 -9.101 7.423 -3.415 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.870 7.853 -2.469 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -11.899 9.765 -4.113 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.808 10.019 -2.765 1.00 1.17 H new ATOM 1074 N TYR A 98 -10.928 6.041 -4.736 1.00 1.21 N ATOM 1075 CA TYR A 98 -11.271 5.214 -5.883 1.00 1.30 C ATOM 1076 C TYR A 98 -12.480 4.335 -5.572 1.00 1.26 C ATOM 1077 O TYR A 98 -13.611 4.680 -5.914 1.00 2.02 O ATOM 1078 CB TYR A 98 -10.070 4.362 -6.289 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.273 3.553 -7.546 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -10.412 2.173 -7.488 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.338 4.170 -8.788 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.609 1.430 -8.633 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.532 3.432 -9.939 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.624 2.064 -9.863 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.864 1.326 -10.996 1.00 3.21 O ATOM 0 H TYR A 98 -10.142 5.697 -4.185 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.535 5.863 -6.717 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.208 5.014 -6.427 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -9.828 3.684 -5.471 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -10.365 1.674 -6.532 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.235 5.243 -8.855 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.751 0.361 -8.570 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -10.611 3.929 -10.895 1.00 2.79 H new ATOM 0 HH TYR A 98 -10.843 1.914 -11.780 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.239 3.207 -4.915 1.00 1.11 N ATOM 1096 CA GLN A 99 -13.323 2.321 -4.513 1.00 1.70 C ATOM 1097 C GLN A 99 -13.861 2.749 -3.155 1.00 1.80 C ATOM 1098 O GLN A 99 -15.064 2.705 -2.904 1.00 2.28 O ATOM 1099 CB GLN A 99 -12.858 0.862 -4.484 1.00 2.11 C ATOM 1100 CG GLN A 99 -11.622 0.609 -3.634 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.325 -0.869 -3.488 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -11.812 -1.525 -2.567 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -10.527 -1.406 -4.396 1.00 2.81 N ATOM 0 H GLN A 99 -11.308 2.886 -4.651 1.00 1.11 H new ATOM 0 HA GLN A 99 -14.125 2.394 -5.247 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -13.673 0.242 -4.111 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -12.653 0.539 -5.505 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.764 1.108 -4.085 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -11.765 1.049 -2.647 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -10.144 -0.828 -5.144 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -10.295 -2.398 -4.348 1.00 2.81 H new ATOM 1112 N MET A 100 -12.956 3.173 -2.289 1.00 1.50 N ATOM 1113 CA MET A 100 -13.325 3.747 -1.007 1.00 1.55 C ATOM 1114 C MET A 100 -13.678 5.208 -1.210 1.00 1.40 C ATOM 1115 O MET A 100 -13.039 5.887 -2.011 1.00 1.30 O ATOM 1116 CB MET A 100 -12.166 3.612 -0.013 1.00 1.54 C ATOM 1117 CG MET A 100 -12.522 4.005 1.412 1.00 1.64 C ATOM 1118 SD MET A 100 -11.134 3.819 2.550 1.00 2.37 S ATOM 1119 CE MET A 100 -11.941 4.143 4.118 1.00 2.85 C ATOM 0 H MET A 100 -11.950 3.129 -2.454 1.00 1.50 H new ATOM 0 HA MET A 100 -14.185 3.216 -0.600 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.816 2.580 -0.017 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.336 4.231 -0.353 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.862 5.041 1.425 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.355 3.392 1.757 1.00 1.64 H new ATOM 0 HE1 MET A 100 -11.230 4.601 4.805 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.782 4.819 3.962 1.00 2.85 H new ATOM 0 HE3 MET A 100 -12.302 3.206 4.542 1.00 2.85 H new ATOM 1129 N THR A 101 -14.712 5.682 -0.534 1.00 1.46 N ATOM 1130 CA THR A 101 -15.017 7.096 -0.550 1.00 1.40 C ATOM 1131 C THR A 101 -13.846 7.868 0.034 1.00 1.14 C ATOM 1132 O THR A 101 -13.164 7.352 0.915 1.00 1.13 O ATOM 1133 CB THR A 101 -16.123 7.365 0.116 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.340 6.362 1.125 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.323 7.434 -0.810 1.00 2.05 C ATOM 0 H THR A 101 -15.346 5.112 0.026 1.00 1.46 H new ATOM 0 HA THR A 101 -15.181 7.401 -1.584 1.00 1.40 H new ATOM 0 HB THR A 101 -16.006 8.340 0.588 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.162 6.567 1.618 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.218 7.657 -0.230 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.166 8.218 -1.551 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.448 6.476 -1.316 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.551 9.063 -0.512 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.381 9.867 -0.129 1.00 1.00 C ATOM 1145 C PRO A 102 -12.121 9.917 1.377 1.00 0.92 C ATOM 1146 O PRO A 102 -12.639 10.784 2.086 1.00 1.15 O ATOM 1147 CB PRO A 102 -12.729 11.255 -0.655 1.00 1.32 C ATOM 1148 CG PRO A 102 -13.587 11.001 -1.847 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.331 9.717 -1.581 1.00 1.44 C ATOM 0 HA PRO A 102 -11.464 9.441 -0.536 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.257 11.842 0.096 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -11.832 11.813 -0.924 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.282 11.825 -2.006 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -12.981 10.917 -2.749 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.357 9.909 -1.266 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -14.383 9.094 -2.474 1.00 1.44 H new ATOM 1157 N THR A 103 -11.341 8.961 1.864 1.00 0.73 N ATOM 1158 CA THR A 103 -10.931 8.947 3.257 1.00 0.70 C ATOM 1159 C THR A 103 -9.449 9.303 3.385 1.00 0.58 C ATOM 1160 O THR A 103 -8.655 9.000 2.491 1.00 0.54 O ATOM 1161 CB THR A 103 -11.158 7.761 3.799 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.484 7.330 3.459 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.010 7.778 5.313 1.00 1.40 C ATOM 0 H THR A 103 -10.980 8.184 1.311 1.00 0.73 H new ATOM 0 HA THR A 103 -11.520 9.694 3.790 1.00 0.70 H new ATOM 0 HB THR A 103 -10.413 7.071 3.402 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.496 7.007 2.534 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.206 6.782 5.709 1.00 1.40 H new ATOM 0 HG22 THR A 103 -9.996 8.080 5.576 1.00 1.40 H new ATOM 0 HG23 THR A 103 -11.721 8.485 5.740 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.098 9.990 4.467 1.00 0.60 N ATOM 1172 CA LYS A 104 -7.720 10.381 4.728 1.00 0.59 C ATOM 1173 C LYS A 104 -7.106 9.484 5.787 1.00 0.58 C ATOM 1174 O LYS A 104 -7.414 9.597 6.974 1.00 0.75 O ATOM 1175 CB LYS A 104 -7.657 11.838 5.191 1.00 0.75 C ATOM 1176 CG LYS A 104 -7.618 12.852 4.060 1.00 1.45 C ATOM 1177 CD LYS A 104 -6.193 13.103 3.581 1.00 1.90 C ATOM 1178 CE LYS A 104 -5.342 13.732 4.677 1.00 2.46 C ATOM 1179 NZ LYS A 104 -3.971 14.075 4.211 1.00 3.08 N ATOM 0 H LYS A 104 -9.759 10.290 5.184 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.155 10.277 3.802 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.523 12.045 5.819 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -6.772 11.971 5.814 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -8.224 12.494 3.228 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -8.060 13.790 4.396 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -5.743 12.162 3.263 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -6.210 13.758 2.710 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -5.834 14.634 5.041 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -5.274 13.043 5.519 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -3.408 14.420 5.014 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -3.519 13.229 3.809 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -4.027 14.816 3.483 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.255 8.578 5.344 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.556 7.674 6.241 1.00 0.47 C ATOM 1195 C VAL A 105 -4.057 7.916 6.158 1.00 0.40 C ATOM 1196 O VAL A 105 -3.589 8.596 5.250 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.812 6.401 5.967 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.275 6.077 6.240 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.441 6.054 4.532 1.00 0.94 C ATOM 0 H VAL A 105 -6.029 8.447 4.358 1.00 0.45 H new ATOM 0 HA VAL A 105 -5.914 7.878 7.250 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.194 5.789 6.624 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.465 5.029 6.009 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.499 6.264 7.290 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.910 6.706 5.616 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.664 5.004 4.342 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -6.016 6.677 3.847 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.377 6.233 4.378 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.314 7.390 7.112 1.00 0.43 N ATOM 1210 CA LYS A 106 -1.875 7.520 7.097 1.00 0.42 C ATOM 1211 C LYS A 106 -1.269 6.158 6.827 1.00 0.40 C ATOM 1212 O LYS A 106 -1.473 5.204 7.582 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.354 8.113 8.410 1.00 0.48 C ATOM 1214 CG LYS A 106 0.127 8.464 8.366 1.00 0.71 C ATOM 1215 CD LYS A 106 0.541 9.346 9.534 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.167 10.691 9.496 1.00 1.56 C ATOM 1217 NZ LYS A 106 0.319 11.606 10.562 1.00 1.69 N ATOM 0 H LYS A 106 -3.686 6.869 7.906 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.582 8.211 6.306 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -1.926 9.010 8.648 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -1.528 7.401 9.217 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.717 7.547 8.378 1.00 0.71 H new ATOM 0 HG3 LYS A 106 0.350 8.975 7.429 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.313 8.840 10.472 1.00 0.83 H new ATOM 0 HD3 LYS A 106 1.620 9.501 9.510 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -0.012 11.155 8.522 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -1.240 10.539 9.610 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -0.189 12.511 10.501 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 0.149 11.176 11.493 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 1.338 11.772 10.439 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.537 6.072 5.738 1.00 0.37 N ATOM 1232 CA VAL A 107 -0.049 4.822 5.239 1.00 0.42 C ATOM 1233 C VAL A 107 1.434 4.723 5.533 1.00 0.40 C ATOM 1234 O VAL A 107 2.196 5.649 5.245 1.00 0.54 O ATOM 1235 CB VAL A 107 -0.277 4.725 3.939 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.187 3.387 3.399 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.749 4.945 3.619 1.00 1.27 C ATOM 0 H VAL A 107 -0.266 6.879 5.175 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.570 4.000 5.731 1.00 0.42 H new ATOM 0 HB VAL A 107 0.299 5.509 3.448 1.00 0.46 H new ATOM 0 HG11 VAL A 107 -0.014 3.337 2.329 1.00 1.26 H new ATOM 0 HG12 VAL A 107 1.257 3.276 3.573 1.00 1.26 H new ATOM 0 HG13 VAL A 107 -0.348 2.584 3.906 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.904 4.859 2.544 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -2.349 4.195 4.133 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -2.049 5.939 3.951 1.00 1.27 H new ATOM 1247 N HIS A 108 1.831 3.637 6.165 1.00 0.34 N ATOM 1248 CA HIS A 108 3.197 3.488 6.610 1.00 0.34 C ATOM 1249 C HIS A 108 3.907 2.433 5.785 1.00 0.32 C ATOM 1250 O HIS A 108 3.567 1.258 5.851 1.00 0.44 O ATOM 1251 CB HIS A 108 3.236 3.104 8.089 1.00 0.45 C ATOM 1252 CG HIS A 108 4.490 3.537 8.790 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.498 4.001 10.084 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.779 3.581 8.373 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.729 4.317 10.432 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.530 4.074 9.414 1.00 0.68 N ATOM 0 H HIS A 108 1.225 2.846 6.381 1.00 0.34 H new ATOM 0 HA HIS A 108 3.708 4.442 6.480 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.377 3.546 8.593 1.00 0.45 H new ATOM 0 HB3 HIS A 108 3.135 2.022 8.178 1.00 0.45 H new ATOM 0 HD2 HIS A 108 6.148 3.284 7.402 1.00 0.54 H new ATOM 0 HE1 HIS A 108 6.031 4.710 11.392 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.538 4.226 9.401 1.00 0.68 H new ATOM 1265 N MET A 109 4.898 2.860 5.029 1.00 0.30 N ATOM 1266 CA MET A 109 5.716 1.942 4.243 1.00 0.39 C ATOM 1267 C MET A 109 7.036 1.712 4.965 1.00 0.34 C ATOM 1268 O MET A 109 7.768 2.666 5.217 1.00 0.45 O ATOM 1269 CB MET A 109 6.015 2.516 2.846 1.00 0.65 C ATOM 1270 CG MET A 109 4.798 2.728 1.948 1.00 0.87 C ATOM 1271 SD MET A 109 3.737 4.085 2.487 1.00 2.22 S ATOM 1272 CE MET A 109 4.824 5.489 2.247 1.00 2.49 C ATOM 0 H MET A 109 5.162 3.841 4.938 1.00 0.30 H new ATOM 0 HA MET A 109 5.166 1.008 4.127 1.00 0.39 H new ATOM 0 HB2 MET A 109 6.527 3.471 2.967 1.00 0.65 H new ATOM 0 HB3 MET A 109 6.708 1.845 2.337 1.00 0.65 H new ATOM 0 HG2 MET A 109 5.136 2.923 0.930 1.00 0.87 H new ATOM 0 HG3 MET A 109 4.213 1.809 1.919 1.00 0.87 H new ATOM 0 HE1 MET A 109 4.237 6.407 2.242 1.00 2.49 H new ATOM 0 HE2 MET A 109 5.552 5.528 3.057 1.00 2.49 H new ATOM 0 HE3 MET A 109 5.345 5.387 1.295 1.00 2.49 H new ATOM 1282 N LYS A 110 7.332 0.465 5.326 1.00 0.32 N ATOM 1283 CA LYS A 110 8.580 0.164 6.023 1.00 0.35 C ATOM 1284 C LYS A 110 9.176 -1.178 5.590 1.00 0.32 C ATOM 1285 O LYS A 110 8.526 -2.217 5.654 1.00 0.45 O ATOM 1286 CB LYS A 110 8.385 0.219 7.544 1.00 0.50 C ATOM 1287 CG LYS A 110 7.331 -0.730 8.092 1.00 0.97 C ATOM 1288 CD LYS A 110 7.109 -0.483 9.575 1.00 0.91 C ATOM 1289 CE LYS A 110 6.171 -1.505 10.194 1.00 1.31 C ATOM 1290 NZ LYS A 110 5.907 -1.204 11.626 1.00 1.57 N ATOM 0 H LYS A 110 6.734 -0.343 5.151 1.00 0.32 H new ATOM 0 HA LYS A 110 9.298 0.934 5.742 1.00 0.35 H new ATOM 0 HB2 LYS A 110 9.337 -0.003 8.025 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.116 1.237 7.824 1.00 0.50 H new ATOM 0 HG2 LYS A 110 6.395 -0.594 7.551 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.644 -1.762 7.932 1.00 0.97 H new ATOM 0 HD2 LYS A 110 8.067 -0.511 10.094 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.699 0.517 9.717 1.00 0.91 H new ATOM 0 HE2 LYS A 110 5.230 -1.517 9.644 1.00 1.31 H new ATOM 0 HE3 LYS A 110 6.605 -2.501 10.104 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 5.263 -1.920 12.018 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 6.803 -1.217 12.154 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 5.470 -0.264 11.708 1.00 1.57 H new ATOM 1304 N LYS A 111 10.425 -1.112 5.147 1.00 0.37 N ATOM 1305 CA LYS A 111 11.181 -2.262 4.639 1.00 0.38 C ATOM 1306 C LYS A 111 11.271 -3.369 5.687 1.00 0.43 C ATOM 1307 O LYS A 111 11.720 -3.117 6.808 1.00 0.60 O ATOM 1308 CB LYS A 111 12.595 -1.787 4.290 1.00 0.49 C ATOM 1309 CG LYS A 111 13.229 -2.479 3.098 1.00 0.56 C ATOM 1310 CD LYS A 111 14.663 -2.018 2.911 1.00 1.03 C ATOM 1311 CE LYS A 111 15.289 -2.594 1.652 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.689 -2.126 1.470 1.00 2.13 N ATOM 0 H LYS A 111 10.957 -0.242 5.128 1.00 0.37 H new ATOM 0 HA LYS A 111 10.673 -2.664 3.762 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.564 -0.715 4.094 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.236 -1.934 5.159 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.205 -3.559 3.243 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.653 -2.265 2.198 1.00 0.56 H new ATOM 0 HD2 LYS A 111 14.690 -0.929 2.863 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.254 -2.314 3.777 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.273 -3.683 1.703 1.00 1.49 H new ATOM 0 HE3 LYS A 111 14.694 -2.307 0.785 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.083 -2.540 0.601 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 16.701 -1.089 1.396 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.263 -2.422 2.285 1.00 2.13 H new ATOM 1326 N ALA A 112 10.873 -4.594 5.322 1.00 0.44 N ATOM 1327 CA ALA A 112 10.877 -5.697 6.281 1.00 0.59 C ATOM 1328 C ALA A 112 10.512 -7.040 5.651 1.00 0.92 C ATOM 1329 O ALA A 112 9.332 -7.368 5.525 1.00 1.57 O ATOM 1330 CB ALA A 112 9.924 -5.406 7.435 1.00 0.96 C ATOM 0 H ALA A 112 10.550 -4.841 4.386 1.00 0.44 H new ATOM 0 HA ALA A 112 11.900 -5.775 6.649 1.00 0.59 H new ATOM 0 HB1 ALA A 112 9.940 -6.238 8.139 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.236 -4.494 7.944 1.00 0.96 H new ATOM 0 HB3 ALA A 112 8.913 -5.277 7.048 1.00 0.96 H new ATOM 1336 N LEU A 113 11.533 -7.796 5.248 1.00 1.01 N ATOM 1337 CA LEU A 113 11.384 -9.210 4.875 1.00 1.49 C ATOM 1338 C LEU A 113 12.700 -9.801 4.405 1.00 1.26 C ATOM 1339 O LEU A 113 13.741 -9.142 4.441 1.00 2.05 O ATOM 1340 CB LEU A 113 10.302 -9.450 3.798 1.00 2.52 C ATOM 1341 CG LEU A 113 10.244 -8.496 2.598 1.00 3.38 C ATOM 1342 CD1 LEU A 113 11.621 -8.153 2.069 1.00 3.91 C ATOM 1343 CD2 LEU A 113 9.419 -9.137 1.497 1.00 4.41 C ATOM 0 H LEU A 113 12.489 -7.449 5.170 1.00 1.01 H new ATOM 0 HA LEU A 113 11.059 -9.714 5.785 1.00 1.49 H new ATOM 0 HB2 LEU A 113 10.435 -10.461 3.413 1.00 2.52 H new ATOM 0 HB3 LEU A 113 9.330 -9.423 4.291 1.00 2.52 H new ATOM 0 HG LEU A 113 9.785 -7.565 2.931 1.00 3.38 H new ATOM 0 HD11 LEU A 113 11.526 -7.475 1.220 1.00 3.91 H new ATOM 0 HD12 LEU A 113 12.203 -7.671 2.855 1.00 3.91 H new ATOM 0 HD13 LEU A 113 12.126 -9.065 1.751 1.00 3.91 H new ATOM 0 HD21 LEU A 113 9.372 -8.466 0.640 1.00 4.41 H new ATOM 0 HD22 LEU A 113 9.881 -10.077 1.197 1.00 4.41 H new ATOM 0 HD23 LEU A 113 8.410 -9.329 1.863 1.00 4.41 H new ATOM 1355 N SER A 114 12.633 -11.041 3.952 1.00 1.21 N ATOM 1356 CA SER A 114 13.756 -11.685 3.312 1.00 1.56 C ATOM 1357 C SER A 114 13.870 -11.157 1.890 1.00 1.72 C ATOM 1358 O SER A 114 13.431 -11.801 0.934 1.00 2.36 O ATOM 1359 CB SER A 114 13.553 -13.201 3.303 1.00 2.13 C ATOM 1360 OG SER A 114 14.761 -13.880 3.012 1.00 2.55 O ATOM 0 H SER A 114 11.799 -11.624 4.019 1.00 1.21 H new ATOM 0 HA SER A 114 14.674 -11.467 3.859 1.00 1.56 H new ATOM 0 HB2 SER A 114 13.176 -13.525 4.273 1.00 2.13 H new ATOM 0 HB3 SER A 114 12.798 -13.465 2.563 1.00 2.13 H new ATOM 0 HG SER A 114 14.602 -14.847 3.014 1.00 2.55 H new ATOM 1366 N GLY A 115 14.408 -9.960 1.755 1.00 1.73 N ATOM 1367 CA GLY A 115 14.429 -9.330 0.466 1.00 2.05 C ATOM 1368 C GLY A 115 14.598 -7.830 0.545 1.00 1.87 C ATOM 1369 O GLY A 115 15.428 -7.327 1.304 1.00 2.62 O ATOM 0 H GLY A 115 14.827 -9.419 2.512 1.00 1.73 H new ATOM 0 HA2 GLY A 115 15.242 -9.751 -0.125 1.00 2.05 H new ATOM 0 HA3 GLY A 115 13.502 -9.559 -0.059 1.00 2.05 H new ATOM 1373 N ASP A 116 13.783 -7.120 -0.222 1.00 1.38 N ATOM 1374 CA ASP A 116 13.863 -5.667 -0.303 1.00 1.29 C ATOM 1375 C ASP A 116 12.473 -5.059 -0.428 1.00 1.01 C ATOM 1376 O ASP A 116 12.311 -3.942 -0.911 1.00 1.32 O ATOM 1377 CB ASP A 116 14.732 -5.239 -1.497 1.00 1.58 C ATOM 1378 CG ASP A 116 14.075 -5.498 -2.847 1.00 2.09 C ATOM 1379 OD1 ASP A 116 13.770 -4.523 -3.563 1.00 2.76 O ATOM 1380 OD2 ASP A 116 13.869 -6.679 -3.200 1.00 2.42 O ATOM 0 H ASP A 116 13.052 -7.531 -0.803 1.00 1.38 H new ATOM 0 HA ASP A 116 14.323 -5.302 0.615 1.00 1.29 H new ATOM 0 HB2 ASP A 116 14.959 -4.176 -1.409 1.00 1.58 H new ATOM 0 HB3 ASP A 116 15.682 -5.772 -1.455 1.00 1.58 H new ATOM 1385 N SER A 117 11.480 -5.778 0.060 1.00 0.60 N ATOM 1386 CA SER A 117 10.115 -5.319 -0.020 1.00 0.36 C ATOM 1387 C SER A 117 9.724 -4.693 1.315 1.00 0.34 C ATOM 1388 O SER A 117 10.435 -4.844 2.314 1.00 0.54 O ATOM 1389 CB SER A 117 9.172 -6.468 -0.391 1.00 0.35 C ATOM 1390 OG SER A 117 9.704 -7.261 -1.442 1.00 1.07 O ATOM 0 H SER A 117 11.598 -6.683 0.516 1.00 0.60 H new ATOM 0 HA SER A 117 10.030 -4.568 -0.806 1.00 0.36 H new ATOM 0 HB2 SER A 117 8.997 -7.093 0.485 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.206 -6.064 -0.693 1.00 0.35 H new ATOM 0 HG SER A 117 10.465 -7.779 -1.107 1.00 1.07 H new ATOM 1396 N TYR A 118 8.608 -3.996 1.338 1.00 0.22 N ATOM 1397 CA TYR A 118 8.244 -3.185 2.476 1.00 0.24 C ATOM 1398 C TYR A 118 6.849 -3.538 2.945 1.00 0.24 C ATOM 1399 O TYR A 118 6.031 -4.043 2.177 1.00 0.26 O ATOM 1400 CB TYR A 118 8.304 -1.707 2.080 1.00 0.30 C ATOM 1401 CG TYR A 118 9.353 -1.431 1.029 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.013 -1.385 -0.315 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.684 -1.256 1.375 1.00 0.57 C ATOM 1404 CE1 TYR A 118 9.972 -1.174 -1.284 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.647 -1.037 0.412 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.288 -1.000 -0.915 1.00 0.67 C ATOM 1407 OH TYR A 118 12.250 -0.803 -1.875 1.00 0.86 O ATOM 0 H TYR A 118 7.933 -3.976 0.573 1.00 0.22 H new ATOM 0 HA TYR A 118 8.942 -3.374 3.292 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.329 -1.395 1.706 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.514 -1.106 2.965 1.00 0.30 H new ATOM 0 HD1 TYR A 118 7.982 -1.516 -0.607 1.00 0.42 H new ATOM 0 HD2 TYR A 118 10.972 -1.292 2.415 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.693 -1.145 -2.327 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.678 -0.895 0.699 1.00 0.72 H new ATOM 0 HH TYR A 118 13.124 -0.697 -1.445 1.00 0.86 H new ATOM 1417 N TRP A 119 6.580 -3.245 4.193 1.00 0.27 N ATOM 1418 CA TRP A 119 5.277 -3.464 4.763 1.00 0.30 C ATOM 1419 C TRP A 119 4.535 -2.149 4.810 1.00 0.33 C ATOM 1420 O TRP A 119 4.905 -1.237 5.549 1.00 0.38 O ATOM 1421 CB TRP A 119 5.403 -4.059 6.162 1.00 0.36 C ATOM 1422 CG TRP A 119 5.418 -5.557 6.174 1.00 0.38 C ATOM 1423 CD1 TRP A 119 6.510 -6.370 6.241 1.00 0.48 C ATOM 1424 CD2 TRP A 119 4.278 -6.421 6.117 1.00 0.42 C ATOM 1425 NE1 TRP A 119 6.119 -7.687 6.234 1.00 0.52 N ATOM 1426 CE2 TRP A 119 4.753 -7.744 6.155 1.00 0.48 C ATOM 1427 CE3 TRP A 119 2.900 -6.203 6.037 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 3.901 -8.844 6.119 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 2.054 -7.295 5.999 1.00 0.63 C ATOM 1430 CH2 TRP A 119 2.558 -8.601 6.040 1.00 0.62 C ATOM 0 H TRP A 119 7.260 -2.848 4.842 1.00 0.27 H new ATOM 0 HA TRP A 119 4.722 -4.171 4.146 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.319 -3.690 6.624 1.00 0.36 H new ATOM 0 HB3 TRP A 119 4.573 -3.707 6.774 1.00 0.36 H new ATOM 0 HD1 TRP A 119 7.533 -6.029 6.292 1.00 0.48 H new ATOM 0 HE1 TRP A 119 6.744 -8.491 6.280 1.00 0.52 H new ATOM 0 HE3 TRP A 119 2.503 -5.199 6.005 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 4.287 -9.852 6.152 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 0.987 -7.139 5.937 1.00 0.63 H new ATOM 0 HH2 TRP A 119 1.871 -9.434 6.009 1.00 0.62 H new ATOM 1441 N VAL A 120 3.517 -2.050 3.982 1.00 0.33 N ATOM 1442 CA VAL A 120 2.736 -0.842 3.871 1.00 0.37 C ATOM 1443 C VAL A 120 1.394 -0.997 4.603 1.00 0.40 C ATOM 1444 O VAL A 120 0.486 -1.713 4.177 1.00 0.55 O ATOM 1445 CB VAL A 120 2.590 -0.497 2.586 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.059 -1.645 1.737 1.00 0.90 C ATOM 1447 CG2 VAL A 120 1.721 0.733 2.426 1.00 0.91 C ATOM 0 H VAL A 120 3.210 -2.805 3.369 1.00 0.33 H new ATOM 0 HA VAL A 120 3.266 -0.024 4.360 1.00 0.37 H new ATOM 0 HB VAL A 120 3.588 -0.253 2.222 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.958 -1.316 0.703 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.753 -2.484 1.785 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.086 -1.957 2.115 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.629 0.978 1.368 1.00 0.91 H new ATOM 0 HG22 VAL A 120 0.732 0.536 2.841 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.176 1.571 2.954 1.00 0.91 H new ATOM 1457 N PHE A 121 1.296 -0.311 5.732 1.00 0.39 N ATOM 1458 CA PHE A 121 0.136 -0.418 6.605 1.00 0.41 C ATOM 1459 C PHE A 121 -0.771 0.786 6.441 1.00 0.41 C ATOM 1460 O PHE A 121 -0.304 1.915 6.320 1.00 0.49 O ATOM 1461 CB PHE A 121 0.568 -0.509 8.072 1.00 0.48 C ATOM 1462 CG PHE A 121 1.313 -1.763 8.425 1.00 0.53 C ATOM 1463 CD1 PHE A 121 2.690 -1.833 8.277 1.00 0.56 C ATOM 1464 CD2 PHE A 121 0.636 -2.879 8.887 1.00 0.69 C ATOM 1465 CE1 PHE A 121 3.375 -2.992 8.586 1.00 0.65 C ATOM 1466 CE2 PHE A 121 1.317 -4.037 9.200 1.00 0.79 C ATOM 1467 CZ PHE A 121 2.696 -4.075 9.103 1.00 0.73 C ATOM 0 H PHE A 121 2.013 0.332 6.068 1.00 0.39 H new ATOM 0 HA PHE A 121 -0.403 -1.323 6.325 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.197 0.350 8.306 1.00 0.48 H new ATOM 0 HB3 PHE A 121 -0.318 -0.438 8.703 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.233 -0.972 7.916 1.00 0.56 H new ATOM 0 HD2 PHE A 121 -0.437 -2.842 9.004 1.00 0.69 H new ATOM 0 HE1 PHE A 121 4.441 -3.050 8.423 1.00 0.65 H new ATOM 0 HE2 PHE A 121 0.774 -4.914 9.521 1.00 0.79 H new ATOM 0 HZ PHE A 121 3.239 -4.949 9.431 1.00 0.73 H new ATOM 1477 N VAL A 122 -2.066 0.536 6.462 1.00 0.42 N ATOM 1478 CA VAL A 122 -3.056 1.594 6.331 1.00 0.51 C ATOM 1479 C VAL A 122 -3.668 1.899 7.695 1.00 0.54 C ATOM 1480 O VAL A 122 -4.502 1.144 8.202 1.00 0.76 O ATOM 1481 CB VAL A 122 -4.021 1.247 5.486 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -5.001 2.396 5.271 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.446 0.784 4.157 1.00 1.16 C ATOM 0 H VAL A 122 -2.462 -0.398 6.569 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.554 2.479 5.940 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.564 0.413 5.931 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -5.780 2.084 4.575 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -5.454 2.671 6.224 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -4.470 3.255 4.860 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.259 0.507 3.486 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.866 1.592 3.710 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -2.800 -0.079 4.321 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.249 3.011 8.284 1.00 0.52 N ATOM 1494 CA LYS A 123 -3.750 3.430 9.584 1.00 0.66 C ATOM 1495 C LYS A 123 -4.705 4.605 9.415 1.00 0.55 C ATOM 1496 O LYS A 123 -4.352 5.609 8.803 1.00 0.51 O ATOM 1497 CB LYS A 123 -2.590 3.843 10.495 1.00 0.93 C ATOM 1498 CG LYS A 123 -1.490 2.797 10.631 1.00 1.36 C ATOM 1499 CD LYS A 123 -1.972 1.555 11.361 1.00 1.80 C ATOM 1500 CE LYS A 123 -0.835 0.570 11.573 1.00 2.62 C ATOM 1501 NZ LYS A 123 -1.263 -0.635 12.330 1.00 3.31 N ATOM 0 H LYS A 123 -2.558 3.642 7.878 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.278 2.593 10.040 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.152 4.764 10.110 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -2.985 4.068 11.486 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -1.130 2.518 9.640 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -0.645 3.228 11.168 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.397 1.837 12.324 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.768 1.079 10.789 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -0.437 0.265 10.605 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -0.025 1.064 12.110 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -0.442 -1.252 12.493 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -1.666 -0.346 13.244 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -1.981 -1.151 11.783 1.00 3.31 H new ATOM 1515 N ARG A 124 -5.911 4.487 9.946 1.00 0.67 N ATOM 1516 CA ARG A 124 -6.882 5.567 9.838 1.00 0.76 C ATOM 1517 C ARG A 124 -6.592 6.645 10.871 1.00 0.85 C ATOM 1518 O ARG A 124 -6.164 6.346 11.989 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.309 5.045 10.017 1.00 1.03 C ATOM 1520 CG ARG A 124 -8.734 4.032 8.968 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.219 3.725 9.071 1.00 2.10 C ATOM 1522 NE ARG A 124 -10.584 3.201 10.386 1.00 2.55 N ATOM 1523 CZ ARG A 124 -11.573 3.688 11.132 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -12.287 4.724 10.707 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -11.838 3.145 12.308 1.00 4.03 N ATOM 0 H ARG A 124 -6.240 3.664 10.451 1.00 0.67 H new ATOM 0 HA ARG A 124 -6.796 5.996 8.840 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -8.397 4.589 11.003 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.999 5.889 9.993 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -8.508 4.417 7.974 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -8.160 3.113 9.092 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.790 4.631 8.871 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.493 3.000 8.304 1.00 2.10 H new ATOM 0 HE ARG A 124 -10.049 2.415 10.754 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -12.079 5.151 9.804 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.044 5.093 11.283 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -11.285 2.355 12.641 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -12.595 3.516 12.882 1.00 4.03 H new ATOM 1539 N VAL A 125 -6.815 7.892 10.487 1.00 1.06 N ATOM 1540 CA VAL A 125 -6.592 9.018 11.378 1.00 1.33 C ATOM 1541 C VAL A 125 -7.810 9.222 12.271 1.00 2.00 C ATOM 1542 O VAL A 125 -7.774 8.771 13.434 1.00 2.87 O ATOM 1543 CB VAL A 125 -6.340 10.135 10.706 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -5.976 11.274 11.657 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -5.237 9.923 9.680 1.00 2.08 C ATOM 1546 OXT VAL A 125 -8.817 9.786 11.793 1.00 2.26 O ATOM 0 H VAL A 125 -7.152 8.150 9.559 1.00 1.06 H new ATOM 0 HA VAL A 125 -5.719 8.789 11.989 1.00 1.33 H new ATOM 0 HB VAL A 125 -7.249 10.411 10.172 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -5.774 12.178 11.082 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -6.805 11.456 12.340 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -5.088 11.002 12.228 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -5.053 10.855 9.146 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -4.324 9.609 10.187 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -5.542 9.153 8.972 1.00 2.08 H new