USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 83 TYR OH : rot 30:sc= 0.704 USER MOD Set 1.2: A 118 THR OG1 : rot -138:sc= 0.798 USER MOD Set 2.1: A 69 SER OG : rot 176:sc= 1.01 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 143:sc= 1.16 (180deg=-0.0628) USER MOD Set 3.1: A 59 TYR OH : rot 180:sc= 0.947 USER MOD Set 3.2: A 62 LYS NZ :NH3+ 169:sc= 1.1 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0263 K(o=-0.026,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 52 GLN : amide:sc= -3.96! C(o=-4!,f=-6.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 163:sc= 1.11 USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= 0.703 (180deg=-1.87!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.63 K(o=1.6,f=-5.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.38! X(o=-2.4!,f=-1.9) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00974 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 75:sc= -1.66! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 98 GLN : amide:sc= -2.25! C(o=-2.2!,f=-7.5!) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0183) USER MOD Single : A 100 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.025) USER MOD Single : A 103 ASN : amide:sc= -1.61! C(o=-1.6!,f=-11!) USER MOD Single : A 105 MET CE :methyl 139:sc= -0.136 (180deg=-0.638) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.059 (180deg=-0.356) USER MOD Single : A 117 ASN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= 1.5 (180deg=0.378) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl 168:sc= -0.0404 (180deg=-0.29) USER MOD Single : A 127 ASN : amide:sc= -0.0616 K(o=-0.062,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 49 -13.209 -14.873 6.445 1.00 10.99 N ATOM 2 CA ALA A 49 -12.337 -13.681 6.309 1.00 10.59 C ATOM 3 C ALA A 49 -11.110 -13.975 5.452 1.00 10.09 C ATOM 4 O ALA A 49 -10.249 -13.114 5.272 1.00 10.24 O ATOM 5 CB ALA A 49 -11.907 -13.183 7.683 1.00 10.72 C ATOM 0 HA ALA A 49 -12.915 -12.905 5.808 1.00 10.59 H new ATOM 0 HB1 ALA A 49 -11.267 -12.308 7.569 1.00 10.72 H new ATOM 0 HB2 ALA A 49 -12.789 -12.915 8.265 1.00 10.72 H new ATOM 0 HB3 ALA A 49 -11.357 -13.970 8.199 1.00 10.72 H new ATOM 13 N ASN A 50 -11.038 -15.179 4.899 1.00 9.73 N ATOM 14 CA ASN A 50 -9.875 -15.594 4.121 1.00 9.49 C ATOM 15 C ASN A 50 -10.160 -15.480 2.630 1.00 9.07 C ATOM 16 O ASN A 50 -9.671 -16.273 1.828 1.00 9.09 O ATOM 17 CB ASN A 50 -9.470 -17.035 4.461 1.00 9.92 C ATOM 18 CG ASN A 50 -8.911 -17.187 5.865 1.00 10.26 C ATOM 19 OD1 ASN A 50 -9.294 -16.474 6.791 1.00 10.37 O ATOM 20 ND2 ASN A 50 -7.994 -18.127 6.030 1.00 10.66 N ATOM 0 H ASN A 50 -11.770 -15.886 4.974 1.00 9.73 H new ATOM 0 HA ASN A 50 -9.050 -14.930 4.379 1.00 9.49 H new ATOM 0 HB2 ASN A 50 -10.338 -17.685 4.351 1.00 9.92 H new ATOM 0 HB3 ASN A 50 -8.725 -17.375 3.742 1.00 9.92 H new ATOM 0 HD21 ASN A 50 -7.580 -18.280 6.950 1.00 10.66 H new ATOM 0 HD22 ASN A 50 -7.702 -18.699 5.238 1.00 10.66 H new ATOM 27 N GLN A 51 -10.958 -14.486 2.270 1.00 8.96 N ATOM 28 CA GLN A 51 -11.335 -14.264 0.882 1.00 8.86 C ATOM 29 C GLN A 51 -11.768 -12.815 0.687 1.00 8.35 C ATOM 30 O GLN A 51 -11.022 -12.009 0.131 1.00 8.67 O ATOM 31 CB GLN A 51 -12.471 -15.208 0.486 1.00 9.29 C ATOM 32 CG GLN A 51 -12.913 -15.062 -0.962 1.00 9.73 C ATOM 33 CD GLN A 51 -14.184 -15.829 -1.258 1.00 10.28 C ATOM 34 OE1 GLN A 51 -14.459 -16.866 -0.650 1.00 10.58 O ATOM 35 NE2 GLN A 51 -14.974 -15.321 -2.190 1.00 10.65 N ATOM 0 H GLN A 51 -11.360 -13.816 2.925 1.00 8.96 H new ATOM 0 HA GLN A 51 -10.473 -14.466 0.246 1.00 8.86 H new ATOM 0 HB2 GLN A 51 -12.153 -16.236 0.657 1.00 9.29 H new ATOM 0 HB3 GLN A 51 -13.326 -15.026 1.137 1.00 9.29 H new ATOM 0 HG2 GLN A 51 -13.068 -14.007 -1.187 1.00 9.73 H new ATOM 0 HG3 GLN A 51 -12.118 -15.415 -1.619 1.00 9.73 H new ATOM 0 HE21 GLN A 51 -14.709 -14.460 -2.669 1.00 10.65 H new ATOM 0 HE22 GLN A 51 -15.848 -15.790 -2.429 1.00 10.65 H new ATOM 44 N GLN A 52 -12.972 -12.499 1.170 1.00 7.81 N ATOM 45 CA GLN A 52 -13.543 -11.153 1.071 1.00 7.53 C ATOM 46 C GLN A 52 -13.862 -10.794 -0.380 1.00 6.60 C ATOM 47 O GLN A 52 -13.555 -11.547 -1.305 1.00 6.71 O ATOM 48 CB GLN A 52 -12.603 -10.114 1.693 1.00 8.12 C ATOM 49 CG GLN A 52 -12.249 -10.416 3.140 1.00 8.64 C ATOM 50 CD GLN A 52 -13.460 -10.455 4.050 1.00 9.29 C ATOM 51 OE1 GLN A 52 -13.495 -11.216 5.015 1.00 9.82 O ATOM 52 NE2 GLN A 52 -14.451 -9.625 3.762 1.00 9.51 N ATOM 0 H GLN A 52 -13.579 -13.170 1.641 1.00 7.81 H new ATOM 0 HA GLN A 52 -14.478 -11.146 1.631 1.00 7.53 H new ATOM 0 HB2 GLN A 52 -11.687 -10.064 1.105 1.00 8.12 H new ATOM 0 HB3 GLN A 52 -13.071 -9.131 1.638 1.00 8.12 H new ATOM 0 HG2 GLN A 52 -11.733 -11.375 3.190 1.00 8.64 H new ATOM 0 HG3 GLN A 52 -11.553 -9.660 3.503 1.00 8.64 H new ATOM 0 HE21 GLN A 52 -14.382 -9.010 2.951 1.00 9.51 H new ATOM 0 HE22 GLN A 52 -15.284 -9.601 4.351 1.00 9.51 H new ATOM 61 N THR A 53 -14.487 -9.642 -0.578 1.00 5.98 N ATOM 62 CA THR A 53 -14.946 -9.252 -1.900 1.00 5.23 C ATOM 63 C THR A 53 -14.299 -7.948 -2.355 1.00 4.28 C ATOM 64 O THR A 53 -14.721 -7.341 -3.342 1.00 4.32 O ATOM 65 CB THR A 53 -16.479 -9.105 -1.925 1.00 5.71 C ATOM 66 OG1 THR A 53 -16.909 -8.259 -0.846 1.00 6.51 O ATOM 67 CG2 THR A 53 -17.155 -10.466 -1.815 1.00 5.97 C ATOM 0 H THR A 53 -14.686 -8.965 0.158 1.00 5.98 H new ATOM 0 HA THR A 53 -14.650 -10.042 -2.590 1.00 5.23 H new ATOM 0 HB THR A 53 -16.765 -8.652 -2.875 1.00 5.71 H new ATOM 0 HG1 THR A 53 -17.885 -8.169 -0.870 1.00 6.51 H new ATOM 0 HG21 THR A 53 -18.237 -10.337 -1.835 1.00 5.97 H new ATOM 0 HG22 THR A 53 -16.849 -11.093 -2.652 1.00 5.97 H new ATOM 0 HG23 THR A 53 -16.863 -10.943 -0.879 1.00 5.97 H new ATOM 75 N SER A 54 -13.266 -7.526 -1.639 1.00 3.92 N ATOM 76 CA SER A 54 -12.566 -6.294 -1.962 1.00 3.46 C ATOM 77 C SER A 54 -11.523 -6.513 -3.059 1.00 2.50 C ATOM 78 O SER A 54 -11.021 -5.560 -3.660 1.00 2.81 O ATOM 79 CB SER A 54 -11.906 -5.724 -0.703 1.00 4.27 C ATOM 80 OG SER A 54 -11.239 -6.744 0.029 1.00 4.83 O ATOM 0 H SER A 54 -12.895 -8.022 -0.829 1.00 3.92 H new ATOM 0 HA SER A 54 -13.296 -5.578 -2.340 1.00 3.46 H new ATOM 0 HB2 SER A 54 -11.194 -4.947 -0.981 1.00 4.27 H new ATOM 0 HB3 SER A 54 -12.661 -5.254 -0.073 1.00 4.27 H new ATOM 0 HG SER A 54 -10.608 -6.336 0.658 1.00 4.83 H new ATOM 86 N GLY A 55 -11.224 -7.781 -3.331 1.00 1.89 N ATOM 87 CA GLY A 55 -10.186 -8.116 -4.285 1.00 1.43 C ATOM 88 C GLY A 55 -8.821 -8.067 -3.638 1.00 1.16 C ATOM 89 O GLY A 55 -8.241 -6.997 -3.484 1.00 1.28 O ATOM 0 H GLY A 55 -11.686 -8.584 -2.904 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -10.366 -9.112 -4.689 1.00 1.43 H new ATOM 0 HA3 GLY A 55 -10.220 -7.421 -5.124 1.00 1.43 H new ATOM 93 N LYS A 56 -8.306 -9.221 -3.261 1.00 0.98 N ATOM 94 CA LYS A 56 -7.091 -9.288 -2.481 1.00 0.77 C ATOM 95 C LYS A 56 -5.862 -9.382 -3.374 1.00 0.71 C ATOM 96 O LYS A 56 -5.890 -9.998 -4.443 1.00 0.78 O ATOM 97 CB LYS A 56 -7.151 -10.481 -1.536 1.00 0.83 C ATOM 98 CG LYS A 56 -8.281 -10.377 -0.529 1.00 0.96 C ATOM 99 CD LYS A 56 -7.941 -9.480 0.645 1.00 1.29 C ATOM 100 CE LYS A 56 -9.144 -9.349 1.562 1.00 1.31 C ATOM 101 NZ LYS A 56 -8.916 -8.399 2.679 1.00 1.99 N ATOM 0 H LYS A 56 -8.715 -10.128 -3.485 1.00 0.98 H new ATOM 0 HA LYS A 56 -7.008 -8.370 -1.899 1.00 0.77 H new ATOM 0 HB2 LYS A 56 -7.272 -11.394 -2.118 1.00 0.83 H new ATOM 0 HB3 LYS A 56 -6.203 -10.566 -1.004 1.00 0.83 H new ATOM 0 HG2 LYS A 56 -9.171 -9.994 -1.027 1.00 0.96 H new ATOM 0 HG3 LYS A 56 -8.526 -11.373 -0.160 1.00 0.96 H new ATOM 0 HD2 LYS A 56 -7.096 -9.893 1.196 1.00 1.29 H new ATOM 0 HD3 LYS A 56 -7.638 -8.496 0.286 1.00 1.29 H new ATOM 0 HE2 LYS A 56 -10.004 -9.018 0.980 1.00 1.31 H new ATOM 0 HE3 LYS A 56 -9.393 -10.329 1.970 1.00 1.31 H new ATOM 0 HZ1 LYS A 56 -9.151 -8.861 3.581 1.00 1.99 H new ATOM 0 HZ2 LYS A 56 -7.918 -8.108 2.689 1.00 1.99 H new ATOM 0 HZ3 LYS A 56 -9.520 -7.562 2.551 1.00 1.99 H new ATOM 115 N VAL A 57 -4.794 -8.755 -2.919 1.00 0.65 N ATOM 116 CA VAL A 57 -3.529 -8.740 -3.629 1.00 0.65 C ATOM 117 C VAL A 57 -2.577 -9.756 -3.012 1.00 0.69 C ATOM 118 O VAL A 57 -2.500 -9.869 -1.788 1.00 0.68 O ATOM 119 CB VAL A 57 -2.871 -7.349 -3.549 1.00 0.57 C ATOM 120 CG1 VAL A 57 -1.721 -7.238 -4.538 1.00 0.61 C ATOM 121 CG2 VAL A 57 -3.891 -6.245 -3.765 1.00 0.56 C ATOM 0 H VAL A 57 -4.780 -8.238 -2.040 1.00 0.65 H new ATOM 0 HA VAL A 57 -3.727 -8.988 -4.672 1.00 0.65 H new ATOM 0 HB VAL A 57 -2.464 -7.227 -2.545 1.00 0.57 H new ATOM 0 HG11 VAL A 57 -1.272 -6.248 -4.464 1.00 0.61 H new ATOM 0 HG12 VAL A 57 -0.971 -7.995 -4.310 1.00 0.61 H new ATOM 0 HG13 VAL A 57 -2.095 -7.392 -5.550 1.00 0.61 H new ATOM 0 HG21 VAL A 57 -3.397 -5.276 -3.703 1.00 0.56 H new ATOM 0 HG22 VAL A 57 -4.346 -6.358 -4.749 1.00 0.56 H new ATOM 0 HG23 VAL A 57 -4.663 -6.308 -2.999 1.00 0.56 H new ATOM 131 N LEU A 58 -1.852 -10.483 -3.847 1.00 0.80 N ATOM 132 CA LEU A 58 -0.888 -11.455 -3.354 1.00 0.86 C ATOM 133 C LEU A 58 0.533 -10.927 -3.525 1.00 0.85 C ATOM 134 O LEU A 58 1.024 -10.788 -4.645 1.00 0.93 O ATOM 135 CB LEU A 58 -1.050 -12.790 -4.088 1.00 1.02 C ATOM 136 CG LEU A 58 -0.220 -13.945 -3.529 1.00 1.10 C ATOM 137 CD1 LEU A 58 -0.871 -14.494 -2.273 1.00 1.08 C ATOM 138 CD2 LEU A 58 -0.061 -15.043 -4.571 1.00 1.27 C ATOM 0 H LEU A 58 -1.911 -10.420 -4.863 1.00 0.80 H new ATOM 0 HA LEU A 58 -1.074 -11.618 -2.292 1.00 0.86 H new ATOM 0 HB2 LEU A 58 -2.102 -13.074 -4.063 1.00 1.02 H new ATOM 0 HB3 LEU A 58 -0.783 -12.645 -5.135 1.00 1.02 H new ATOM 0 HG LEU A 58 0.772 -13.571 -3.274 1.00 1.10 H new ATOM 0 HD11 LEU A 58 -0.272 -15.317 -1.882 1.00 1.08 H new ATOM 0 HD12 LEU A 58 -0.937 -13.706 -1.523 1.00 1.08 H new ATOM 0 HD13 LEU A 58 -1.872 -14.855 -2.510 1.00 1.08 H new ATOM 0 HD21 LEU A 58 0.533 -15.857 -4.154 1.00 1.27 H new ATOM 0 HD22 LEU A 58 -1.043 -15.420 -4.856 1.00 1.27 H new ATOM 0 HD23 LEU A 58 0.442 -14.640 -5.450 1.00 1.27 H new ATOM 150 N TYR A 59 1.173 -10.615 -2.408 1.00 0.81 N ATOM 151 CA TYR A 59 2.559 -10.164 -2.405 1.00 0.83 C ATOM 152 C TYR A 59 3.394 -11.153 -1.585 1.00 0.90 C ATOM 153 O TYR A 59 3.014 -11.511 -0.471 1.00 0.87 O ATOM 154 CB TYR A 59 2.667 -8.734 -1.822 1.00 0.73 C ATOM 155 CG TYR A 59 2.916 -8.701 -0.331 1.00 0.67 C ATOM 156 CD1 TYR A 59 1.931 -9.091 0.560 1.00 0.63 C ATOM 157 CD2 TYR A 59 4.155 -8.329 0.178 1.00 0.72 C ATOM 158 CE1 TYR A 59 2.173 -9.118 1.916 1.00 0.66 C ATOM 159 CE2 TYR A 59 4.401 -8.341 1.538 1.00 0.73 C ATOM 160 CZ TYR A 59 3.405 -8.740 2.404 1.00 0.71 C ATOM 161 OH TYR A 59 3.643 -8.780 3.763 1.00 0.79 O ATOM 0 H TYR A 59 0.750 -10.666 -1.481 1.00 0.81 H new ATOM 0 HA TYR A 59 2.937 -10.129 -3.427 1.00 0.83 H new ATOM 0 HB2 TYR A 59 3.475 -8.205 -2.328 1.00 0.73 H new ATOM 0 HB3 TYR A 59 1.746 -8.192 -2.039 1.00 0.73 H new ATOM 0 HD1 TYR A 59 0.959 -9.378 0.187 1.00 0.63 H new ATOM 0 HD2 TYR A 59 4.938 -8.026 -0.501 1.00 0.72 H new ATOM 0 HE1 TYR A 59 1.397 -9.435 2.597 1.00 0.66 H new ATOM 0 HE2 TYR A 59 5.366 -8.040 1.919 1.00 0.73 H new ATOM 0 HH TYR A 59 4.560 -8.484 3.943 1.00 0.79 H new ATOM 171 N GLU A 60 4.489 -11.643 -2.155 1.00 1.03 N ATOM 172 CA GLU A 60 5.403 -12.541 -1.438 1.00 1.14 C ATOM 173 C GLU A 60 4.682 -13.782 -0.916 1.00 1.16 C ATOM 174 O GLU A 60 5.120 -14.416 0.047 1.00 1.25 O ATOM 175 CB GLU A 60 6.051 -11.797 -0.276 1.00 1.15 C ATOM 176 CG GLU A 60 6.790 -10.551 -0.711 1.00 1.21 C ATOM 177 CD GLU A 60 8.114 -10.865 -1.371 1.00 2.02 C ATOM 178 OE1 GLU A 60 9.071 -11.226 -0.659 1.00 3.04 O ATOM 179 OE2 GLU A 60 8.208 -10.737 -2.611 1.00 1.94 O ATOM 0 H GLU A 60 4.771 -11.436 -3.113 1.00 1.03 H new ATOM 0 HA GLU A 60 6.168 -12.869 -2.142 1.00 1.14 H new ATOM 0 HB2 GLU A 60 5.282 -11.523 0.447 1.00 1.15 H new ATOM 0 HB3 GLU A 60 6.745 -12.465 0.234 1.00 1.15 H new ATOM 0 HG2 GLU A 60 6.167 -9.986 -1.404 1.00 1.21 H new ATOM 0 HG3 GLU A 60 6.962 -9.913 0.156 1.00 1.21 H new ATOM 186 N GLY A 61 3.577 -14.113 -1.555 1.00 1.11 N ATOM 187 CA GLY A 61 2.788 -15.264 -1.153 1.00 1.17 C ATOM 188 C GLY A 61 1.842 -14.964 0.001 1.00 1.11 C ATOM 189 O GLY A 61 1.346 -15.881 0.657 1.00 1.23 O ATOM 0 H GLY A 61 3.204 -13.602 -2.355 1.00 1.11 H new ATOM 0 HA2 GLY A 61 2.210 -15.617 -2.007 1.00 1.17 H new ATOM 0 HA3 GLY A 61 3.458 -16.074 -0.865 1.00 1.17 H new ATOM 193 N LYS A 62 1.600 -13.686 0.260 1.00 0.99 N ATOM 194 CA LYS A 62 0.648 -13.278 1.285 1.00 0.94 C ATOM 195 C LYS A 62 -0.470 -12.463 0.653 1.00 0.86 C ATOM 196 O LYS A 62 -0.254 -11.771 -0.339 1.00 0.80 O ATOM 197 CB LYS A 62 1.331 -12.443 2.365 1.00 0.87 C ATOM 198 CG LYS A 62 0.529 -12.336 3.653 1.00 0.89 C ATOM 199 CD LYS A 62 1.181 -11.377 4.634 1.00 0.91 C ATOM 200 CE LYS A 62 2.599 -11.795 4.975 1.00 1.15 C ATOM 201 NZ LYS A 62 3.308 -10.753 5.766 1.00 1.52 N ATOM 0 H LYS A 62 2.051 -12.912 -0.227 1.00 0.99 H new ATOM 0 HA LYS A 62 0.238 -14.177 1.746 1.00 0.94 H new ATOM 0 HB2 LYS A 62 2.304 -12.880 2.589 1.00 0.87 H new ATOM 0 HB3 LYS A 62 1.513 -11.441 1.976 1.00 0.87 H new ATOM 0 HG2 LYS A 62 -0.482 -11.996 3.427 1.00 0.89 H new ATOM 0 HG3 LYS A 62 0.439 -13.321 4.110 1.00 0.89 H new ATOM 0 HD2 LYS A 62 1.191 -10.373 4.209 1.00 0.91 H new ATOM 0 HD3 LYS A 62 0.587 -11.331 5.546 1.00 0.91 H new ATOM 0 HE2 LYS A 62 2.577 -12.727 5.539 1.00 1.15 H new ATOM 0 HE3 LYS A 62 3.151 -11.992 4.056 1.00 1.15 H new ATOM 0 HZ1 LYS A 62 4.197 -11.144 6.137 1.00 1.52 H new ATOM 0 HZ2 LYS A 62 3.516 -9.936 5.157 1.00 1.52 H new ATOM 0 HZ3 LYS A 62 2.706 -10.449 6.558 1.00 1.52 H new ATOM 215 N GLU A 63 -1.651 -12.528 1.241 1.00 0.88 N ATOM 216 CA GLU A 63 -2.816 -11.848 0.694 1.00 0.82 C ATOM 217 C GLU A 63 -3.191 -10.626 1.520 1.00 0.70 C ATOM 218 O GLU A 63 -3.280 -10.690 2.748 1.00 0.74 O ATOM 219 CB GLU A 63 -4.003 -12.800 0.619 1.00 0.98 C ATOM 220 CG GLU A 63 -3.897 -13.829 -0.486 1.00 1.11 C ATOM 221 CD GLU A 63 -5.047 -14.812 -0.458 1.00 1.37 C ATOM 222 OE1 GLU A 63 -6.077 -14.538 -1.106 1.00 1.59 O ATOM 223 OE2 GLU A 63 -4.920 -15.866 0.195 1.00 1.49 O ATOM 0 H GLU A 63 -1.831 -13.046 2.101 1.00 0.88 H new ATOM 0 HA GLU A 63 -2.556 -11.514 -0.310 1.00 0.82 H new ATOM 0 HB2 GLU A 63 -4.103 -13.316 1.574 1.00 0.98 H new ATOM 0 HB3 GLU A 63 -4.914 -12.219 0.474 1.00 0.98 H new ATOM 0 HG2 GLU A 63 -3.876 -13.323 -1.451 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -2.956 -14.370 -0.389 1.00 1.11 H new ATOM 230 N PHE A 64 -3.419 -9.522 0.828 1.00 0.59 N ATOM 231 CA PHE A 64 -3.819 -8.273 1.463 1.00 0.49 C ATOM 232 C PHE A 64 -4.923 -7.591 0.678 1.00 0.47 C ATOM 233 O PHE A 64 -5.171 -7.943 -0.467 1.00 0.54 O ATOM 234 CB PHE A 64 -2.627 -7.328 1.590 1.00 0.39 C ATOM 235 CG PHE A 64 -1.879 -7.481 2.883 1.00 0.43 C ATOM 236 CD1 PHE A 64 -2.387 -6.957 4.057 1.00 0.53 C ATOM 237 CD2 PHE A 64 -0.673 -8.155 2.929 1.00 0.46 C ATOM 238 CE1 PHE A 64 -1.708 -7.106 5.250 1.00 0.63 C ATOM 239 CE2 PHE A 64 0.010 -8.302 4.122 1.00 0.56 C ATOM 240 CZ PHE A 64 -0.509 -7.779 5.283 1.00 0.64 C ATOM 0 H PHE A 64 -3.333 -9.464 -0.187 1.00 0.59 H new ATOM 0 HA PHE A 64 -4.193 -8.515 2.458 1.00 0.49 H new ATOM 0 HB2 PHE A 64 -1.943 -7.505 0.760 1.00 0.39 H new ATOM 0 HB3 PHE A 64 -2.977 -6.300 1.501 1.00 0.39 H new ATOM 0 HD1 PHE A 64 -3.326 -6.425 4.041 1.00 0.53 H new ATOM 0 HD2 PHE A 64 -0.260 -8.572 2.022 1.00 0.46 H new ATOM 0 HE1 PHE A 64 -2.119 -6.693 6.159 1.00 0.63 H new ATOM 0 HE2 PHE A 64 0.953 -8.828 4.142 1.00 0.56 H new ATOM 0 HZ PHE A 64 0.022 -7.896 6.216 1.00 0.64 H new ATOM 250 N ASP A 65 -5.574 -6.622 1.295 1.00 0.42 N ATOM 251 CA ASP A 65 -6.654 -5.879 0.640 1.00 0.42 C ATOM 252 C ASP A 65 -6.143 -5.160 -0.594 1.00 0.39 C ATOM 253 O ASP A 65 -6.419 -5.554 -1.727 1.00 0.45 O ATOM 254 CB ASP A 65 -7.266 -4.845 1.595 1.00 0.43 C ATOM 255 CG ASP A 65 -8.354 -5.417 2.469 1.00 0.66 C ATOM 256 OD1 ASP A 65 -9.368 -5.900 1.920 1.00 1.23 O ATOM 257 OD2 ASP A 65 -8.194 -5.397 3.706 1.00 1.04 O ATOM 0 H ASP A 65 -5.379 -6.325 2.251 1.00 0.42 H new ATOM 0 HA ASP A 65 -7.416 -6.603 0.351 1.00 0.42 H new ATOM 0 HB2 ASP A 65 -6.479 -4.433 2.227 1.00 0.43 H new ATOM 0 HB3 ASP A 65 -7.673 -4.018 1.013 1.00 0.43 H new ATOM 262 N TYR A 66 -5.382 -4.106 -0.361 1.00 0.33 N ATOM 263 CA TYR A 66 -4.824 -3.309 -1.436 1.00 0.33 C ATOM 264 C TYR A 66 -3.346 -3.067 -1.198 1.00 0.30 C ATOM 265 O TYR A 66 -2.980 -2.152 -0.467 1.00 0.28 O ATOM 266 CB TYR A 66 -5.528 -1.949 -1.531 1.00 0.36 C ATOM 267 CG TYR A 66 -6.990 -2.001 -1.917 1.00 0.44 C ATOM 268 CD1 TYR A 66 -7.978 -2.200 -0.962 1.00 0.49 C ATOM 269 CD2 TYR A 66 -7.380 -1.826 -3.239 1.00 0.61 C ATOM 270 CE1 TYR A 66 -9.314 -2.226 -1.312 1.00 0.64 C ATOM 271 CE2 TYR A 66 -8.715 -1.846 -3.597 1.00 0.75 C ATOM 272 CZ TYR A 66 -9.677 -2.049 -2.631 1.00 0.74 C ATOM 273 OH TYR A 66 -11.009 -2.064 -2.981 1.00 0.92 O ATOM 0 H TYR A 66 -5.135 -3.780 0.574 1.00 0.33 H new ATOM 0 HA TYR A 66 -4.969 -3.860 -2.365 1.00 0.33 H new ATOM 0 HB2 TYR A 66 -5.442 -1.446 -0.568 1.00 0.36 H new ATOM 0 HB3 TYR A 66 -4.999 -1.335 -2.260 1.00 0.36 H new ATOM 0 HD1 TYR A 66 -7.697 -2.337 0.072 1.00 0.49 H new ATOM 0 HD2 TYR A 66 -6.628 -1.672 -3.999 1.00 0.61 H new ATOM 0 HE1 TYR A 66 -10.070 -2.384 -0.557 1.00 0.64 H new ATOM 0 HE2 TYR A 66 -9.003 -1.703 -4.628 1.00 0.75 H new ATOM 0 HH TYR A 66 -11.095 -1.924 -3.947 1.00 0.92 H new ATOM 283 N VAL A 67 -2.484 -3.892 -1.772 1.00 0.33 N ATOM 284 CA VAL A 67 -1.075 -3.566 -1.754 1.00 0.31 C ATOM 285 C VAL A 67 -0.801 -2.630 -2.923 1.00 0.33 C ATOM 286 O VAL A 67 -1.247 -2.873 -4.047 1.00 0.41 O ATOM 287 CB VAL A 67 -0.132 -4.806 -1.766 1.00 0.33 C ATOM 288 CG1 VAL A 67 -0.825 -6.009 -1.148 1.00 0.36 C ATOM 289 CG2 VAL A 67 0.409 -5.134 -3.151 1.00 0.41 C ATOM 0 H VAL A 67 -2.728 -4.764 -2.241 1.00 0.33 H new ATOM 0 HA VAL A 67 -0.848 -3.077 -0.807 1.00 0.31 H new ATOM 0 HB VAL A 67 0.735 -4.547 -1.158 1.00 0.33 H new ATOM 0 HG11 VAL A 67 -0.151 -6.866 -1.165 1.00 0.36 H new ATOM 0 HG12 VAL A 67 -1.097 -5.782 -0.117 1.00 0.36 H new ATOM 0 HG13 VAL A 67 -1.724 -6.243 -1.718 1.00 0.36 H new ATOM 0 HG21 VAL A 67 1.059 -6.007 -3.090 1.00 0.41 H new ATOM 0 HG22 VAL A 67 -0.421 -5.345 -3.825 1.00 0.41 H new ATOM 0 HG23 VAL A 67 0.977 -4.285 -3.530 1.00 0.41 H new ATOM 299 N PHE A 68 -0.113 -1.544 -2.644 1.00 0.28 N ATOM 300 CA PHE A 68 0.098 -0.505 -3.636 1.00 0.30 C ATOM 301 C PHE A 68 1.343 -0.799 -4.446 1.00 0.27 C ATOM 302 O PHE A 68 2.343 -1.262 -3.913 1.00 0.24 O ATOM 303 CB PHE A 68 0.238 0.854 -2.953 1.00 0.30 C ATOM 304 CG PHE A 68 0.550 1.974 -3.902 1.00 0.35 C ATOM 305 CD1 PHE A 68 -0.301 2.274 -4.951 1.00 0.41 C ATOM 306 CD2 PHE A 68 1.705 2.712 -3.747 1.00 0.37 C ATOM 307 CE1 PHE A 68 -0.001 3.298 -5.831 1.00 0.46 C ATOM 308 CE2 PHE A 68 2.011 3.739 -4.620 1.00 0.44 C ATOM 309 CZ PHE A 68 1.158 4.033 -5.664 1.00 0.48 C ATOM 0 H PHE A 68 0.312 -1.355 -1.736 1.00 0.28 H new ATOM 0 HA PHE A 68 -0.763 -0.483 -4.303 1.00 0.30 H new ATOM 0 HB2 PHE A 68 -0.688 1.083 -2.425 1.00 0.30 H new ATOM 0 HB3 PHE A 68 1.026 0.795 -2.202 1.00 0.30 H new ATOM 0 HD1 PHE A 68 -1.208 1.703 -5.084 1.00 0.41 H new ATOM 0 HD2 PHE A 68 2.378 2.485 -2.934 1.00 0.37 H new ATOM 0 HE1 PHE A 68 -0.671 3.523 -6.647 1.00 0.46 H new ATOM 0 HE2 PHE A 68 2.917 4.311 -4.485 1.00 0.44 H new ATOM 0 HZ PHE A 68 1.395 4.834 -6.348 1.00 0.48 H new ATOM 319 N SER A 69 1.270 -0.532 -5.730 1.00 0.32 N ATOM 320 CA SER A 69 2.388 -0.768 -6.608 1.00 0.32 C ATOM 321 C SER A 69 3.171 0.519 -6.769 1.00 0.36 C ATOM 322 O SER A 69 2.664 1.505 -7.301 1.00 0.44 O ATOM 323 CB SER A 69 1.883 -1.259 -7.960 1.00 0.42 C ATOM 324 OG SER A 69 0.925 -2.289 -7.788 1.00 1.38 O ATOM 0 H SER A 69 0.443 -0.150 -6.189 1.00 0.32 H new ATOM 0 HA SER A 69 3.040 -1.532 -6.184 1.00 0.32 H new ATOM 0 HB2 SER A 69 1.439 -0.430 -8.512 1.00 0.42 H new ATOM 0 HB3 SER A 69 2.719 -1.627 -8.555 1.00 0.42 H new ATOM 0 HG SER A 69 0.563 -2.548 -8.661 1.00 1.38 H new ATOM 330 N ILE A 70 4.395 0.503 -6.298 1.00 0.34 N ATOM 331 CA ILE A 70 5.237 1.671 -6.344 1.00 0.43 C ATOM 332 C ILE A 70 6.267 1.506 -7.445 1.00 0.45 C ATOM 333 O ILE A 70 7.093 0.585 -7.409 1.00 0.43 O ATOM 334 CB ILE A 70 5.931 1.897 -4.986 1.00 0.48 C ATOM 335 CG1 ILE A 70 4.891 1.844 -3.857 1.00 0.52 C ATOM 336 CG2 ILE A 70 6.685 3.221 -4.975 1.00 0.64 C ATOM 337 CD1 ILE A 70 5.408 2.309 -2.514 1.00 0.51 C ATOM 0 H ILE A 70 4.832 -0.316 -5.875 1.00 0.34 H new ATOM 0 HA ILE A 70 4.621 2.545 -6.555 1.00 0.43 H new ATOM 0 HB ILE A 70 6.661 1.103 -4.826 1.00 0.48 H new ATOM 0 HG12 ILE A 70 4.036 2.459 -4.137 1.00 0.52 H new ATOM 0 HG13 ILE A 70 4.529 0.820 -3.760 1.00 0.52 H new ATOM 0 HG21 ILE A 70 7.166 3.358 -4.007 1.00 0.64 H new ATOM 0 HG22 ILE A 70 7.442 3.215 -5.759 1.00 0.64 H new ATOM 0 HG23 ILE A 70 5.987 4.039 -5.152 1.00 0.64 H new ATOM 0 HD11 ILE A 70 4.611 2.240 -1.774 1.00 0.51 H new ATOM 0 HD12 ILE A 70 6.244 1.679 -2.208 1.00 0.51 H new ATOM 0 HD13 ILE A 70 5.743 3.344 -2.591 1.00 0.51 H new ATOM 349 N ASP A 71 6.204 2.399 -8.418 1.00 0.60 N ATOM 350 CA ASP A 71 7.040 2.310 -9.602 1.00 0.75 C ATOM 351 C ASP A 71 8.075 3.424 -9.601 1.00 0.76 C ATOM 352 O ASP A 71 7.734 4.590 -9.390 1.00 0.87 O ATOM 353 CB ASP A 71 6.172 2.403 -10.857 1.00 1.02 C ATOM 354 CG ASP A 71 6.888 1.915 -12.098 1.00 1.89 C ATOM 355 OD1 ASP A 71 7.580 2.724 -12.750 1.00 2.58 O ATOM 356 OD2 ASP A 71 6.745 0.719 -12.433 1.00 2.51 O ATOM 0 H ASP A 71 5.575 3.202 -8.410 1.00 0.60 H new ATOM 0 HA ASP A 71 7.559 1.352 -9.596 1.00 0.75 H new ATOM 0 HB2 ASP A 71 5.265 1.816 -10.711 1.00 1.02 H new ATOM 0 HB3 ASP A 71 5.862 3.438 -11.004 1.00 1.02 H new ATOM 361 N VAL A 72 9.327 3.063 -9.822 1.00 0.87 N ATOM 362 CA VAL A 72 10.413 4.033 -9.847 1.00 0.97 C ATOM 363 C VAL A 72 11.677 3.397 -10.424 1.00 1.04 C ATOM 364 O VAL A 72 12.416 4.028 -11.180 1.00 1.14 O ATOM 365 CB VAL A 72 10.700 4.620 -8.438 1.00 1.08 C ATOM 366 CG1 VAL A 72 11.059 3.522 -7.448 1.00 1.20 C ATOM 367 CG2 VAL A 72 11.803 5.668 -8.499 1.00 1.37 C ATOM 0 H VAL A 72 9.620 2.100 -9.988 1.00 0.87 H new ATOM 0 HA VAL A 72 10.101 4.858 -10.487 1.00 0.97 H new ATOM 0 HB VAL A 72 9.788 5.104 -8.089 1.00 1.08 H new ATOM 0 HG11 VAL A 72 11.255 3.963 -6.471 1.00 1.20 H new ATOM 0 HG12 VAL A 72 10.231 2.818 -7.369 1.00 1.20 H new ATOM 0 HG13 VAL A 72 11.949 2.997 -7.794 1.00 1.20 H new ATOM 0 HG21 VAL A 72 11.985 6.063 -7.500 1.00 1.37 H new ATOM 0 HG22 VAL A 72 12.717 5.213 -8.881 1.00 1.37 H new ATOM 0 HG23 VAL A 72 11.498 6.479 -9.160 1.00 1.37 H new ATOM 377 N ASN A 73 11.904 2.138 -10.076 1.00 1.12 N ATOM 378 CA ASN A 73 13.046 1.396 -10.577 1.00 1.26 C ATOM 379 C ASN A 73 12.615 0.453 -11.691 1.00 1.27 C ATOM 380 O ASN A 73 11.575 -0.199 -11.610 1.00 1.30 O ATOM 381 CB ASN A 73 13.735 0.622 -9.443 1.00 1.47 C ATOM 382 CG ASN A 73 12.821 -0.367 -8.737 1.00 2.10 C ATOM 383 OD1 ASN A 73 11.613 -0.158 -8.624 1.00 2.80 O ATOM 384 ND2 ASN A 73 13.400 -1.447 -8.242 1.00 2.72 N ATOM 0 H ASN A 73 11.305 1.608 -9.443 1.00 1.12 H new ATOM 0 HA ASN A 73 13.766 2.105 -10.984 1.00 1.26 H new ATOM 0 HB2 ASN A 73 14.592 0.085 -9.850 1.00 1.47 H new ATOM 0 HB3 ASN A 73 14.121 1.332 -8.712 1.00 1.47 H new ATOM 0 HD21 ASN A 73 12.843 -2.143 -7.746 1.00 2.72 H new ATOM 0 HD22 ASN A 73 14.404 -1.585 -8.356 1.00 2.72 H new ATOM 391 N GLU A 74 13.423 0.392 -12.733 1.00 1.36 N ATOM 392 CA GLU A 74 13.082 -0.358 -13.928 1.00 1.47 C ATOM 393 C GLU A 74 13.734 -1.735 -13.912 1.00 1.66 C ATOM 394 O GLU A 74 14.922 -1.862 -13.610 1.00 1.85 O ATOM 395 CB GLU A 74 13.528 0.430 -15.161 1.00 1.58 C ATOM 396 CG GLU A 74 13.238 -0.260 -16.480 1.00 1.92 C ATOM 397 CD GLU A 74 13.714 0.553 -17.661 1.00 2.42 C ATOM 398 OE1 GLU A 74 14.911 0.470 -18.000 1.00 3.10 O ATOM 399 OE2 GLU A 74 12.886 1.259 -18.276 1.00 2.76 O ATOM 0 H GLU A 74 14.329 0.858 -12.776 1.00 1.36 H new ATOM 0 HA GLU A 74 12.002 -0.503 -13.959 1.00 1.47 H new ATOM 0 HB2 GLU A 74 13.033 1.401 -15.156 1.00 1.58 H new ATOM 0 HB3 GLU A 74 14.599 0.618 -15.090 1.00 1.58 H new ATOM 0 HG2 GLU A 74 13.723 -1.236 -16.493 1.00 1.92 H new ATOM 0 HG3 GLU A 74 12.166 -0.436 -16.569 1.00 1.92 H new ATOM 406 N GLY A 75 12.946 -2.763 -14.210 1.00 1.72 N ATOM 407 CA GLY A 75 13.479 -4.108 -14.335 1.00 1.98 C ATOM 408 C GLY A 75 13.616 -4.817 -13.004 1.00 1.93 C ATOM 409 O GLY A 75 13.279 -5.996 -12.884 1.00 2.40 O ATOM 0 H GLY A 75 11.941 -2.688 -14.368 1.00 1.72 H new ATOM 0 HA2 GLY A 75 12.828 -4.692 -14.986 1.00 1.98 H new ATOM 0 HA3 GLY A 75 14.455 -4.063 -14.818 1.00 1.98 H new ATOM 413 N GLY A 76 14.113 -4.100 -12.005 1.00 1.65 N ATOM 414 CA GLY A 76 14.294 -4.680 -10.690 1.00 1.58 C ATOM 415 C GLY A 76 12.980 -4.906 -9.969 1.00 1.36 C ATOM 416 O GLY A 76 11.908 -4.704 -10.545 1.00 1.30 O ATOM 0 H GLY A 76 14.395 -3.123 -12.083 1.00 1.65 H new ATOM 0 HA2 GLY A 76 14.821 -5.630 -10.785 1.00 1.58 H new ATOM 0 HA3 GLY A 76 14.925 -4.024 -10.091 1.00 1.58 H new ATOM 420 N PRO A 77 13.025 -5.327 -8.701 1.00 1.34 N ATOM 421 CA PRO A 77 11.815 -5.594 -7.929 1.00 1.20 C ATOM 422 C PRO A 77 11.026 -4.319 -7.657 1.00 0.98 C ATOM 423 O PRO A 77 11.589 -3.300 -7.253 1.00 1.03 O ATOM 424 CB PRO A 77 12.338 -6.196 -6.621 1.00 1.39 C ATOM 425 CG PRO A 77 13.749 -5.727 -6.511 1.00 1.59 C ATOM 426 CD PRO A 77 14.252 -5.567 -7.922 1.00 1.55 C ATOM 0 HA PRO A 77 11.128 -6.254 -8.459 1.00 1.20 H new ATOM 0 HB2 PRO A 77 11.745 -5.863 -5.769 1.00 1.39 H new ATOM 0 HB3 PRO A 77 12.285 -7.285 -6.640 1.00 1.39 H new ATOM 0 HG2 PRO A 77 13.804 -4.783 -5.969 1.00 1.59 H new ATOM 0 HG3 PRO A 77 14.356 -6.446 -5.961 1.00 1.59 H new ATOM 0 HD2 PRO A 77 14.950 -4.734 -8.007 1.00 1.55 H new ATOM 0 HD3 PRO A 77 14.776 -6.459 -8.264 1.00 1.55 H new ATOM 434 N SER A 78 9.727 -4.383 -7.891 1.00 0.87 N ATOM 435 CA SER A 78 8.848 -3.245 -7.679 1.00 0.69 C ATOM 436 C SER A 78 8.376 -3.209 -6.229 1.00 0.53 C ATOM 437 O SER A 78 8.354 -4.238 -5.553 1.00 0.64 O ATOM 438 CB SER A 78 7.659 -3.329 -8.637 1.00 0.86 C ATOM 439 OG SER A 78 8.102 -3.315 -9.986 1.00 1.55 O ATOM 0 H SER A 78 9.253 -5.220 -8.231 1.00 0.87 H new ATOM 0 HA SER A 78 9.394 -2.323 -7.881 1.00 0.69 H new ATOM 0 HB2 SER A 78 7.093 -4.240 -8.444 1.00 0.86 H new ATOM 0 HB3 SER A 78 6.984 -2.491 -8.462 1.00 0.86 H new ATOM 0 HG SER A 78 7.328 -3.371 -10.585 1.00 1.55 H new ATOM 445 N TYR A 79 7.998 -2.031 -5.751 1.00 0.36 N ATOM 446 CA TYR A 79 7.639 -1.871 -4.356 1.00 0.35 C ATOM 447 C TYR A 79 6.149 -2.077 -4.195 1.00 0.32 C ATOM 448 O TYR A 79 5.360 -1.410 -4.850 1.00 0.43 O ATOM 449 CB TYR A 79 8.009 -0.469 -3.863 1.00 0.43 C ATOM 450 CG TYR A 79 9.486 -0.151 -3.886 1.00 0.54 C ATOM 451 CD1 TYR A 79 10.423 -1.039 -3.376 1.00 0.69 C ATOM 452 CD2 TYR A 79 9.940 1.055 -4.406 1.00 0.75 C ATOM 453 CE1 TYR A 79 11.771 -0.734 -3.385 1.00 0.80 C ATOM 454 CE2 TYR A 79 11.285 1.367 -4.414 1.00 0.89 C ATOM 455 CZ TYR A 79 12.196 0.469 -3.903 1.00 0.83 C ATOM 456 OH TYR A 79 13.534 0.780 -3.903 1.00 1.00 O ATOM 0 H TYR A 79 7.933 -1.179 -6.308 1.00 0.36 H new ATOM 0 HA TYR A 79 8.185 -2.608 -3.767 1.00 0.35 H new ATOM 0 HB2 TYR A 79 7.486 0.265 -4.476 1.00 0.43 H new ATOM 0 HB3 TYR A 79 7.644 -0.351 -2.843 1.00 0.43 H new ATOM 0 HD1 TYR A 79 10.094 -1.982 -2.966 1.00 0.69 H new ATOM 0 HD2 TYR A 79 9.229 1.760 -4.811 1.00 0.75 H new ATOM 0 HE1 TYR A 79 12.488 -1.437 -2.987 1.00 0.80 H new ATOM 0 HE2 TYR A 79 11.621 2.310 -4.819 1.00 0.89 H new ATOM 0 HH TYR A 79 13.664 1.664 -4.305 1.00 1.00 H new ATOM 466 N LYS A 80 5.754 -3.014 -3.357 1.00 0.23 N ATOM 467 CA LYS A 80 4.341 -3.231 -3.119 1.00 0.21 C ATOM 468 C LYS A 80 4.009 -2.916 -1.670 1.00 0.19 C ATOM 469 O LYS A 80 4.675 -3.401 -0.762 1.00 0.20 O ATOM 470 CB LYS A 80 3.929 -4.670 -3.445 1.00 0.25 C ATOM 471 CG LYS A 80 4.359 -5.135 -4.824 1.00 0.29 C ATOM 472 CD LYS A 80 3.736 -4.302 -5.937 1.00 0.30 C ATOM 473 CE LYS A 80 2.356 -4.810 -6.316 1.00 0.48 C ATOM 474 NZ LYS A 80 2.140 -4.782 -7.788 1.00 0.80 N ATOM 0 H LYS A 80 6.380 -3.629 -2.837 1.00 0.23 H new ATOM 0 HA LYS A 80 3.784 -2.565 -3.778 1.00 0.21 H new ATOM 0 HB2 LYS A 80 4.356 -5.338 -2.697 1.00 0.25 H new ATOM 0 HB3 LYS A 80 2.845 -4.754 -3.365 1.00 0.25 H new ATOM 0 HG2 LYS A 80 5.445 -5.084 -4.900 1.00 0.29 H new ATOM 0 HG3 LYS A 80 4.079 -6.180 -4.956 1.00 0.29 H new ATOM 0 HD2 LYS A 80 3.666 -3.262 -5.617 1.00 0.30 H new ATOM 0 HD3 LYS A 80 4.384 -4.323 -6.813 1.00 0.30 H new ATOM 0 HE2 LYS A 80 2.231 -5.829 -5.950 1.00 0.48 H new ATOM 0 HE3 LYS A 80 1.597 -4.200 -5.826 1.00 0.48 H new ATOM 0 HZ1 LYS A 80 1.582 -5.612 -8.073 1.00 0.80 H new ATOM 0 HZ2 LYS A 80 1.628 -3.915 -8.047 1.00 0.80 H new ATOM 0 HZ3 LYS A 80 3.059 -4.800 -8.274 1.00 0.80 H new ATOM 488 N LEU A 81 2.976 -2.117 -1.466 1.00 0.20 N ATOM 489 CA LEU A 81 2.618 -1.645 -0.134 1.00 0.18 C ATOM 490 C LEU A 81 1.312 -2.281 0.332 1.00 0.19 C ATOM 491 O LEU A 81 0.238 -1.733 0.097 1.00 0.20 O ATOM 492 CB LEU A 81 2.452 -0.127 -0.172 1.00 0.19 C ATOM 493 CG LEU A 81 2.886 0.644 1.072 1.00 0.19 C ATOM 494 CD1 LEU A 81 2.098 1.928 1.180 1.00 0.23 C ATOM 495 CD2 LEU A 81 2.723 -0.188 2.331 1.00 0.20 C ATOM 0 H LEU A 81 2.365 -1.778 -2.209 1.00 0.20 H new ATOM 0 HA LEU A 81 3.409 -1.923 0.562 1.00 0.18 H new ATOM 0 HB2 LEU A 81 3.016 0.255 -1.023 1.00 0.19 H new ATOM 0 HB3 LEU A 81 1.402 0.095 -0.360 1.00 0.19 H new ATOM 0 HG LEU A 81 3.946 0.880 0.972 1.00 0.19 H new ATOM 0 HD11 LEU A 81 2.412 2.474 2.070 1.00 0.23 H new ATOM 0 HD12 LEU A 81 2.277 2.540 0.296 1.00 0.23 H new ATOM 0 HD13 LEU A 81 1.035 1.698 1.252 1.00 0.23 H new ATOM 0 HD21 LEU A 81 3.042 0.394 3.196 1.00 0.20 H new ATOM 0 HD22 LEU A 81 1.676 -0.469 2.449 1.00 0.20 H new ATOM 0 HD23 LEU A 81 3.334 -1.088 2.254 1.00 0.20 H new ATOM 507 N PRO A 82 1.389 -3.442 0.988 1.00 0.22 N ATOM 508 CA PRO A 82 0.211 -4.149 1.508 1.00 0.23 C ATOM 509 C PRO A 82 -0.566 -3.347 2.546 1.00 0.20 C ATOM 510 O PRO A 82 -0.057 -3.041 3.624 1.00 0.19 O ATOM 511 CB PRO A 82 0.802 -5.404 2.143 1.00 0.28 C ATOM 512 CG PRO A 82 2.119 -5.575 1.489 1.00 0.31 C ATOM 513 CD PRO A 82 2.625 -4.185 1.249 1.00 0.27 C ATOM 0 HA PRO A 82 -0.513 -4.346 0.717 1.00 0.23 H new ATOM 0 HB2 PRO A 82 0.908 -5.289 3.222 1.00 0.28 H new ATOM 0 HB3 PRO A 82 0.162 -6.271 1.976 1.00 0.28 H new ATOM 0 HG2 PRO A 82 2.803 -6.138 2.124 1.00 0.31 H new ATOM 0 HG3 PRO A 82 2.025 -6.126 0.553 1.00 0.31 H new ATOM 0 HD2 PRO A 82 3.160 -3.792 2.114 1.00 0.27 H new ATOM 0 HD3 PRO A 82 3.311 -4.143 0.403 1.00 0.27 H new ATOM 521 N TYR A 83 -1.804 -3.026 2.212 1.00 0.22 N ATOM 522 CA TYR A 83 -2.661 -2.237 3.076 1.00 0.21 C ATOM 523 C TYR A 83 -3.992 -2.947 3.309 1.00 0.21 C ATOM 524 O TYR A 83 -4.656 -3.359 2.357 1.00 0.22 O ATOM 525 CB TYR A 83 -2.880 -0.860 2.424 1.00 0.27 C ATOM 526 CG TYR A 83 -3.949 0.007 3.062 1.00 0.41 C ATOM 527 CD1 TYR A 83 -3.917 0.299 4.415 1.00 0.50 C ATOM 528 CD2 TYR A 83 -4.974 0.553 2.299 1.00 0.62 C ATOM 529 CE1 TYR A 83 -4.874 1.109 4.994 1.00 0.73 C ATOM 530 CE2 TYR A 83 -5.938 1.362 2.873 1.00 0.82 C ATOM 531 CZ TYR A 83 -5.883 1.636 4.224 1.00 0.86 C ATOM 532 OH TYR A 83 -6.832 2.447 4.804 1.00 1.10 O ATOM 0 H TYR A 83 -2.242 -3.305 1.334 1.00 0.22 H new ATOM 0 HA TYR A 83 -2.186 -2.108 4.049 1.00 0.21 H new ATOM 0 HB2 TYR A 83 -1.936 -0.315 2.444 1.00 0.27 H new ATOM 0 HB3 TYR A 83 -3.139 -1.012 1.376 1.00 0.27 H new ATOM 0 HD1 TYR A 83 -3.130 -0.114 5.028 1.00 0.50 H new ATOM 0 HD2 TYR A 83 -5.019 0.342 1.241 1.00 0.62 H new ATOM 0 HE1 TYR A 83 -4.830 1.328 6.051 1.00 0.73 H new ATOM 0 HE2 TYR A 83 -6.730 1.777 2.267 1.00 0.82 H new ATOM 0 HH TYR A 83 -6.435 2.925 5.562 1.00 1.10 H new ATOM 542 N ASN A 84 -4.362 -3.112 4.575 1.00 0.27 N ATOM 543 CA ASN A 84 -5.707 -3.561 4.922 1.00 0.31 C ATOM 544 C ASN A 84 -6.525 -2.320 5.188 1.00 0.32 C ATOM 545 O ASN A 84 -6.028 -1.376 5.787 1.00 0.39 O ATOM 546 CB ASN A 84 -5.737 -4.440 6.184 1.00 0.44 C ATOM 547 CG ASN A 84 -4.739 -5.576 6.173 1.00 1.14 C ATOM 548 OD1 ASN A 84 -5.005 -6.651 5.644 1.00 1.98 O ATOM 549 ND2 ASN A 84 -3.592 -5.353 6.789 1.00 2.00 N ATOM 0 H ASN A 84 -3.753 -2.942 5.375 1.00 0.27 H new ATOM 0 HA ASN A 84 -6.096 -4.164 4.102 1.00 0.31 H new ATOM 0 HB2 ASN A 84 -5.546 -3.812 7.055 1.00 0.44 H new ATOM 0 HB3 ASN A 84 -6.739 -4.853 6.302 1.00 0.44 H new ATOM 0 HD21 ASN A 84 -2.888 -6.089 6.838 1.00 2.00 H new ATOM 0 HD22 ASN A 84 -3.411 -4.445 7.216 1.00 2.00 H new ATOM 556 N THR A 85 -7.771 -2.321 4.775 1.00 0.32 N ATOM 557 CA THR A 85 -8.555 -1.094 4.732 1.00 0.34 C ATOM 558 C THR A 85 -8.819 -0.481 6.114 1.00 0.35 C ATOM 559 O THR A 85 -9.336 0.634 6.216 1.00 0.40 O ATOM 560 CB THR A 85 -9.880 -1.329 3.993 1.00 0.37 C ATOM 561 OG1 THR A 85 -10.514 -2.522 4.483 1.00 0.38 O ATOM 562 CG2 THR A 85 -9.625 -1.469 2.505 1.00 0.41 C ATOM 0 H THR A 85 -8.270 -3.154 4.463 1.00 0.32 H new ATOM 0 HA THR A 85 -7.951 -0.369 4.186 1.00 0.34 H new ATOM 0 HB THR A 85 -10.535 -0.475 4.169 1.00 0.37 H new ATOM 0 HG1 THR A 85 -11.359 -2.663 4.007 1.00 0.38 H new ATOM 0 HG21 THR A 85 -10.570 -1.635 1.988 1.00 0.41 H new ATOM 0 HG22 THR A 85 -9.161 -0.558 2.128 1.00 0.41 H new ATOM 0 HG23 THR A 85 -8.961 -2.315 2.328 1.00 0.41 H new ATOM 570 N SER A 86 -8.460 -1.197 7.166 1.00 0.33 N ATOM 571 CA SER A 86 -8.614 -0.688 8.522 1.00 0.37 C ATOM 572 C SER A 86 -7.263 -0.282 9.125 1.00 0.31 C ATOM 573 O SER A 86 -7.171 0.035 10.311 1.00 0.33 O ATOM 574 CB SER A 86 -9.302 -1.735 9.391 1.00 0.49 C ATOM 575 OG SER A 86 -10.566 -2.083 8.846 1.00 1.30 O ATOM 0 H SER A 86 -8.059 -2.133 7.109 1.00 0.33 H new ATOM 0 HA SER A 86 -9.235 0.207 8.485 1.00 0.37 H new ATOM 0 HB2 SER A 86 -8.675 -2.623 9.465 1.00 0.49 H new ATOM 0 HB3 SER A 86 -9.430 -1.349 10.403 1.00 0.49 H new ATOM 0 HG SER A 86 -10.993 -2.757 9.415 1.00 1.30 H new ATOM 581 N ASP A 87 -6.224 -0.278 8.298 1.00 0.29 N ATOM 582 CA ASP A 87 -4.880 0.089 8.747 1.00 0.28 C ATOM 583 C ASP A 87 -4.659 1.594 8.676 1.00 0.20 C ATOM 584 O ASP A 87 -5.340 2.301 7.930 1.00 0.22 O ATOM 585 CB ASP A 87 -3.802 -0.609 7.917 1.00 0.38 C ATOM 586 CG ASP A 87 -3.435 -1.978 8.441 1.00 0.93 C ATOM 587 OD1 ASP A 87 -3.262 -2.120 9.666 1.00 1.37 O ATOM 588 OD2 ASP A 87 -3.331 -2.928 7.633 1.00 1.55 O ATOM 0 H ASP A 87 -6.284 -0.525 7.310 1.00 0.29 H new ATOM 0 HA ASP A 87 -4.801 -0.236 9.784 1.00 0.28 H new ATOM 0 HB2 ASP A 87 -4.150 -0.703 6.888 1.00 0.38 H new ATOM 0 HB3 ASP A 87 -2.909 0.015 7.896 1.00 0.38 H new ATOM 593 N ASP A 88 -3.719 2.084 9.476 1.00 0.19 N ATOM 594 CA ASP A 88 -3.373 3.500 9.479 1.00 0.14 C ATOM 595 C ASP A 88 -2.206 3.770 8.540 1.00 0.12 C ATOM 596 O ASP A 88 -1.291 2.951 8.433 1.00 0.15 O ATOM 597 CB ASP A 88 -3.033 3.986 10.888 1.00 0.18 C ATOM 598 CG ASP A 88 -4.221 3.892 11.821 1.00 0.24 C ATOM 599 OD1 ASP A 88 -5.041 4.827 11.848 1.00 0.41 O ATOM 600 OD2 ASP A 88 -4.330 2.879 12.548 1.00 0.39 O ATOM 0 H ASP A 88 -3.181 1.519 10.133 1.00 0.19 H new ATOM 0 HA ASP A 88 -4.245 4.052 9.128 1.00 0.14 H new ATOM 0 HB2 ASP A 88 -2.210 3.393 11.288 1.00 0.18 H new ATOM 0 HB3 ASP A 88 -2.689 5.019 10.842 1.00 0.18 H new ATOM 605 N PRO A 89 -2.226 4.918 7.849 1.00 0.11 N ATOM 606 CA PRO A 89 -1.272 5.226 6.777 1.00 0.11 C ATOM 607 C PRO A 89 0.184 5.108 7.185 1.00 0.10 C ATOM 608 O PRO A 89 0.910 4.263 6.661 1.00 0.11 O ATOM 609 CB PRO A 89 -1.578 6.683 6.418 1.00 0.13 C ATOM 610 CG PRO A 89 -2.435 7.196 7.525 1.00 0.15 C ATOM 611 CD PRO A 89 -3.180 6.015 8.052 1.00 0.13 C ATOM 0 HA PRO A 89 -1.390 4.516 5.959 1.00 0.11 H new ATOM 0 HB2 PRO A 89 -0.661 7.266 6.329 1.00 0.13 H new ATOM 0 HB3 PRO A 89 -2.093 6.751 5.460 1.00 0.13 H new ATOM 0 HG2 PRO A 89 -1.829 7.655 8.306 1.00 0.15 H new ATOM 0 HG3 PRO A 89 -3.122 7.961 7.164 1.00 0.15 H new ATOM 0 HD2 PRO A 89 -3.441 6.136 9.103 1.00 0.13 H new ATOM 0 HD3 PRO A 89 -4.111 5.848 7.510 1.00 0.13 H new ATOM 619 N TRP A 90 0.600 5.932 8.131 1.00 0.12 N ATOM 620 CA TRP A 90 2.003 6.017 8.489 1.00 0.14 C ATOM 621 C TRP A 90 2.478 4.727 9.134 1.00 0.13 C ATOM 622 O TRP A 90 3.655 4.412 9.085 1.00 0.14 O ATOM 623 CB TRP A 90 2.268 7.207 9.409 1.00 0.19 C ATOM 624 CG TRP A 90 2.060 8.535 8.743 1.00 0.95 C ATOM 625 CD1 TRP A 90 2.950 9.200 7.950 1.00 1.84 C ATOM 626 CD2 TRP A 90 0.890 9.357 8.810 1.00 1.69 C ATOM 627 NE1 TRP A 90 2.403 10.384 7.516 1.00 2.31 N ATOM 628 CE2 TRP A 90 1.140 10.503 8.031 1.00 2.19 C ATOM 629 CE3 TRP A 90 -0.347 9.235 9.449 1.00 2.57 C ATOM 630 CZ2 TRP A 90 0.199 11.518 7.878 1.00 2.98 C ATOM 631 CZ3 TRP A 90 -1.278 10.243 9.296 1.00 3.51 C ATOM 632 CH2 TRP A 90 -1.002 11.372 8.514 1.00 3.56 C ATOM 0 H TRP A 90 -0.013 6.550 8.663 1.00 0.12 H new ATOM 0 HA TRP A 90 2.569 6.169 7.570 1.00 0.14 H new ATOM 0 HB2 TRP A 90 1.613 7.138 10.277 1.00 0.19 H new ATOM 0 HB3 TRP A 90 3.292 7.150 9.777 1.00 0.19 H new ATOM 0 HD1 TRP A 90 3.940 8.847 7.700 1.00 1.84 H new ATOM 0 HE1 TRP A 90 2.863 11.063 6.909 1.00 2.31 H new ATOM 0 HE3 TRP A 90 -0.571 8.367 10.052 1.00 2.57 H new ATOM 0 HZ2 TRP A 90 0.411 12.390 7.278 1.00 2.98 H new ATOM 0 HZ3 TRP A 90 -2.236 10.160 9.788 1.00 3.51 H new ATOM 0 HH2 TRP A 90 -1.753 12.142 8.412 1.00 3.56 H new ATOM 643 N LEU A 91 1.559 3.983 9.726 1.00 0.13 N ATOM 644 CA LEU A 91 1.896 2.698 10.324 1.00 0.15 C ATOM 645 C LEU A 91 2.136 1.659 9.235 1.00 0.15 C ATOM 646 O LEU A 91 3.169 0.987 9.210 1.00 0.18 O ATOM 647 CB LEU A 91 0.771 2.224 11.247 1.00 0.17 C ATOM 648 CG LEU A 91 0.319 3.242 12.291 1.00 0.21 C ATOM 649 CD1 LEU A 91 -0.679 2.628 13.245 1.00 0.24 C ATOM 650 CD2 LEU A 91 1.517 3.788 13.040 1.00 0.33 C ATOM 0 H LEU A 91 0.576 4.244 9.806 1.00 0.13 H new ATOM 0 HA LEU A 91 2.806 2.821 10.911 1.00 0.15 H new ATOM 0 HB2 LEU A 91 -0.088 1.948 10.635 1.00 0.17 H new ATOM 0 HB3 LEU A 91 1.100 1.321 11.761 1.00 0.17 H new ATOM 0 HG LEU A 91 -0.175 4.068 11.779 1.00 0.21 H new ATOM 0 HD11 LEU A 91 -0.986 3.373 13.979 1.00 0.24 H new ATOM 0 HD12 LEU A 91 -1.552 2.286 12.688 1.00 0.24 H new ATOM 0 HD13 LEU A 91 -0.220 1.782 13.756 1.00 0.24 H new ATOM 0 HD21 LEU A 91 1.183 4.513 13.782 1.00 0.33 H new ATOM 0 HD22 LEU A 91 2.037 2.971 13.540 1.00 0.33 H new ATOM 0 HD23 LEU A 91 2.195 4.274 12.338 1.00 0.33 H new ATOM 662 N THR A 92 1.172 1.553 8.331 1.00 0.14 N ATOM 663 CA THR A 92 1.254 0.639 7.201 1.00 0.16 C ATOM 664 C THR A 92 2.482 0.939 6.350 1.00 0.14 C ATOM 665 O THR A 92 3.232 0.040 5.960 1.00 0.15 O ATOM 666 CB THR A 92 -0.005 0.766 6.328 1.00 0.17 C ATOM 667 OG1 THR A 92 -1.168 0.547 7.126 1.00 0.25 O ATOM 668 CG2 THR A 92 0.019 -0.216 5.172 1.00 0.20 C ATOM 0 H THR A 92 0.311 2.099 8.361 1.00 0.14 H new ATOM 0 HA THR A 92 1.332 -0.375 7.592 1.00 0.16 H new ATOM 0 HB THR A 92 -0.028 1.773 5.912 1.00 0.17 H new ATOM 0 HG1 THR A 92 -1.338 1.337 7.681 1.00 0.25 H new ATOM 0 HG21 THR A 92 -0.886 -0.098 4.576 1.00 0.20 H new ATOM 0 HG22 THR A 92 0.892 -0.023 4.548 1.00 0.20 H new ATOM 0 HG23 THR A 92 0.068 -1.233 5.560 1.00 0.20 H new ATOM 676 N ALA A 93 2.690 2.219 6.094 1.00 0.12 N ATOM 677 CA ALA A 93 3.771 2.674 5.255 1.00 0.12 C ATOM 678 C ALA A 93 5.110 2.451 5.937 1.00 0.11 C ATOM 679 O ALA A 93 6.080 2.045 5.300 1.00 0.11 O ATOM 680 CB ALA A 93 3.572 4.139 4.942 1.00 0.12 C ATOM 0 H ALA A 93 2.109 2.970 6.466 1.00 0.12 H new ATOM 0 HA ALA A 93 3.771 2.103 4.327 1.00 0.12 H new ATOM 0 HB1 ALA A 93 4.386 4.489 4.308 1.00 0.12 H new ATOM 0 HB2 ALA A 93 2.623 4.274 4.423 1.00 0.12 H new ATOM 0 HB3 ALA A 93 3.563 4.711 5.870 1.00 0.12 H new ATOM 686 N TYR A 94 5.142 2.703 7.239 1.00 0.11 N ATOM 687 CA TYR A 94 6.348 2.533 8.031 1.00 0.12 C ATOM 688 C TYR A 94 6.770 1.073 8.021 1.00 0.15 C ATOM 689 O TYR A 94 7.952 0.755 7.878 1.00 0.15 O ATOM 690 CB TYR A 94 6.095 2.991 9.467 1.00 0.15 C ATOM 691 CG TYR A 94 7.354 3.311 10.232 1.00 0.19 C ATOM 692 CD1 TYR A 94 8.141 2.296 10.745 1.00 0.23 C ATOM 693 CD2 TYR A 94 7.753 4.622 10.439 1.00 0.20 C ATOM 694 CE1 TYR A 94 9.296 2.574 11.447 1.00 0.28 C ATOM 695 CE2 TYR A 94 8.906 4.912 11.141 1.00 0.26 C ATOM 696 CZ TYR A 94 9.674 3.884 11.643 1.00 0.30 C ATOM 697 OH TYR A 94 10.829 4.167 12.340 1.00 0.36 O ATOM 0 H TYR A 94 4.336 3.029 7.772 1.00 0.11 H new ATOM 0 HA TYR A 94 7.146 3.138 7.600 1.00 0.12 H new ATOM 0 HB2 TYR A 94 5.456 3.874 9.450 1.00 0.15 H new ATOM 0 HB3 TYR A 94 5.547 2.212 9.996 1.00 0.15 H new ATOM 0 HD1 TYR A 94 7.846 1.268 10.594 1.00 0.23 H new ATOM 0 HD2 TYR A 94 7.153 5.429 10.045 1.00 0.20 H new ATOM 0 HE1 TYR A 94 9.900 1.770 11.840 1.00 0.28 H new ATOM 0 HE2 TYR A 94 9.204 5.938 11.296 1.00 0.26 H new ATOM 0 HH TYR A 94 10.952 5.138 12.388 1.00 0.36 H new ATOM 707 N ASN A 95 5.787 0.189 8.161 1.00 0.17 N ATOM 708 CA ASN A 95 6.034 -1.247 8.149 1.00 0.21 C ATOM 709 C ASN A 95 6.701 -1.669 6.845 1.00 0.20 C ATOM 710 O ASN A 95 7.739 -2.325 6.855 1.00 0.22 O ATOM 711 CB ASN A 95 4.731 -2.026 8.347 1.00 0.27 C ATOM 712 CG ASN A 95 4.965 -3.522 8.426 1.00 1.06 C ATOM 713 OD1 ASN A 95 5.230 -4.057 9.500 1.00 1.64 O ATOM 714 ND2 ASN A 95 4.865 -4.207 7.297 1.00 1.91 N ATOM 0 H ASN A 95 4.807 0.445 8.285 1.00 0.17 H new ATOM 0 HA ASN A 95 6.706 -1.477 8.976 1.00 0.21 H new ATOM 0 HB2 ASN A 95 4.243 -1.688 9.261 1.00 0.27 H new ATOM 0 HB3 ASN A 95 4.051 -1.809 7.523 1.00 0.27 H new ATOM 0 HD21 ASN A 95 5.010 -5.217 7.299 1.00 1.91 H new ATOM 0 HD22 ASN A 95 4.643 -3.725 6.426 1.00 1.91 H new ATOM 721 N PHE A 96 6.111 -1.273 5.720 1.00 0.18 N ATOM 722 CA PHE A 96 6.674 -1.595 4.413 1.00 0.18 C ATOM 723 C PHE A 96 8.023 -0.924 4.221 1.00 0.15 C ATOM 724 O PHE A 96 8.945 -1.512 3.652 1.00 0.17 O ATOM 725 CB PHE A 96 5.723 -1.189 3.290 1.00 0.18 C ATOM 726 CG PHE A 96 6.354 -1.255 1.927 1.00 0.20 C ATOM 727 CD1 PHE A 96 6.802 -2.464 1.420 1.00 0.24 C ATOM 728 CD2 PHE A 96 6.511 -0.110 1.160 1.00 0.20 C ATOM 729 CE1 PHE A 96 7.391 -2.532 0.174 1.00 0.29 C ATOM 730 CE2 PHE A 96 7.100 -0.174 -0.088 1.00 0.25 C ATOM 731 CZ PHE A 96 7.539 -1.386 -0.581 1.00 0.29 C ATOM 0 H PHE A 96 5.247 -0.731 5.687 1.00 0.18 H new ATOM 0 HA PHE A 96 6.814 -2.675 4.374 1.00 0.18 H new ATOM 0 HB2 PHE A 96 4.848 -1.839 3.310 1.00 0.18 H new ATOM 0 HB3 PHE A 96 5.370 -0.174 3.471 1.00 0.18 H new ATOM 0 HD1 PHE A 96 6.689 -3.364 2.007 1.00 0.24 H new ATOM 0 HD2 PHE A 96 6.170 0.841 1.542 1.00 0.20 H new ATOM 0 HE1 PHE A 96 7.736 -3.481 -0.210 1.00 0.29 H new ATOM 0 HE2 PHE A 96 7.217 0.724 -0.677 1.00 0.25 H new ATOM 0 HZ PHE A 96 7.998 -1.438 -1.557 1.00 0.29 H new ATOM 741 N LEU A 97 8.138 0.297 4.711 1.00 0.12 N ATOM 742 CA LEU A 97 9.369 1.054 4.581 1.00 0.12 C ATOM 743 C LEU A 97 10.525 0.324 5.249 1.00 0.14 C ATOM 744 O LEU A 97 11.622 0.271 4.713 1.00 0.20 O ATOM 745 CB LEU A 97 9.208 2.451 5.177 1.00 0.10 C ATOM 746 CG LEU A 97 9.725 3.579 4.298 1.00 0.10 C ATOM 747 CD1 LEU A 97 8.924 3.627 3.011 1.00 0.13 C ATOM 748 CD2 LEU A 97 9.642 4.909 5.023 1.00 0.10 C ATOM 0 H LEU A 97 7.391 0.786 5.204 1.00 0.12 H new ATOM 0 HA LEU A 97 9.593 1.154 3.519 1.00 0.12 H new ATOM 0 HB2 LEU A 97 8.152 2.624 5.383 1.00 0.10 H new ATOM 0 HB3 LEU A 97 9.729 2.486 6.134 1.00 0.10 H new ATOM 0 HG LEU A 97 10.772 3.390 4.063 1.00 0.10 H new ATOM 0 HD11 LEU A 97 9.295 4.436 2.381 1.00 0.13 H new ATOM 0 HD12 LEU A 97 9.027 2.679 2.483 1.00 0.13 H new ATOM 0 HD13 LEU A 97 7.873 3.801 3.243 1.00 0.13 H new ATOM 0 HD21 LEU A 97 10.017 5.701 4.375 1.00 0.10 H new ATOM 0 HD22 LEU A 97 8.605 5.116 5.286 1.00 0.10 H new ATOM 0 HD23 LEU A 97 10.244 4.867 5.930 1.00 0.10 H new ATOM 760 N GLN A 98 10.277 -0.253 6.413 1.00 0.19 N ATOM 761 CA GLN A 98 11.311 -1.012 7.104 1.00 0.26 C ATOM 762 C GLN A 98 11.460 -2.408 6.505 1.00 0.27 C ATOM 763 O GLN A 98 12.548 -2.985 6.509 1.00 0.33 O ATOM 764 CB GLN A 98 11.010 -1.091 8.597 1.00 0.34 C ATOM 765 CG GLN A 98 11.007 0.268 9.281 1.00 1.08 C ATOM 766 CD GLN A 98 12.348 0.988 9.216 1.00 1.95 C ATOM 767 OE1 GLN A 98 13.124 0.824 8.273 1.00 2.43 O ATOM 768 NE2 GLN A 98 12.626 1.797 10.221 1.00 2.80 N ATOM 0 H GLN A 98 9.380 -0.213 6.897 1.00 0.19 H new ATOM 0 HA GLN A 98 12.259 -0.490 6.973 1.00 0.26 H new ATOM 0 HB2 GLN A 98 10.039 -1.565 8.741 1.00 0.34 H new ATOM 0 HB3 GLN A 98 11.751 -1.730 9.077 1.00 0.34 H new ATOM 0 HG2 GLN A 98 10.245 0.896 8.820 1.00 1.08 H new ATOM 0 HG3 GLN A 98 10.724 0.139 10.326 1.00 1.08 H new ATOM 0 HE21 GLN A 98 11.960 1.909 10.985 1.00 2.80 H new ATOM 0 HE22 GLN A 98 13.507 2.311 10.233 1.00 2.80 H new ATOM 777 N LYS A 99 10.363 -2.934 5.976 1.00 0.27 N ATOM 778 CA LYS A 99 10.357 -4.259 5.369 1.00 0.31 C ATOM 779 C LYS A 99 11.248 -4.290 4.133 1.00 0.30 C ATOM 780 O LYS A 99 12.029 -5.220 3.942 1.00 0.35 O ATOM 781 CB LYS A 99 8.915 -4.651 5.010 1.00 0.34 C ATOM 782 CG LYS A 99 8.757 -5.998 4.307 1.00 0.42 C ATOM 783 CD LYS A 99 8.999 -5.894 2.804 1.00 0.47 C ATOM 784 CE LYS A 99 8.652 -7.189 2.085 1.00 0.79 C ATOM 785 NZ LYS A 99 9.533 -8.311 2.505 1.00 1.30 N ATOM 0 H LYS A 99 9.460 -2.460 5.955 1.00 0.27 H new ATOM 0 HA LYS A 99 10.755 -4.980 6.083 1.00 0.31 H new ATOM 0 HB2 LYS A 99 8.322 -4.666 5.925 1.00 0.34 H new ATOM 0 HB3 LYS A 99 8.494 -3.875 4.370 1.00 0.34 H new ATOM 0 HG2 LYS A 99 9.456 -6.715 4.737 1.00 0.42 H new ATOM 0 HG3 LYS A 99 7.754 -6.384 4.486 1.00 0.42 H new ATOM 0 HD2 LYS A 99 8.401 -5.080 2.395 1.00 0.47 H new ATOM 0 HD3 LYS A 99 10.044 -5.645 2.620 1.00 0.47 H new ATOM 0 HE2 LYS A 99 7.613 -7.449 2.287 1.00 0.79 H new ATOM 0 HE3 LYS A 99 8.741 -7.041 1.009 1.00 0.79 H new ATOM 0 HZ1 LYS A 99 9.309 -9.157 1.944 1.00 1.30 H new ATOM 0 HZ2 LYS A 99 10.527 -8.047 2.352 1.00 1.30 H new ATOM 0 HZ3 LYS A 99 9.380 -8.514 3.513 1.00 1.30 H new ATOM 799 N ASN A 100 11.147 -3.264 3.302 1.00 0.26 N ATOM 800 CA ASN A 100 11.912 -3.229 2.067 1.00 0.29 C ATOM 801 C ASN A 100 13.189 -2.421 2.258 1.00 0.28 C ATOM 802 O ASN A 100 13.983 -2.251 1.334 1.00 0.36 O ATOM 803 CB ASN A 100 11.088 -2.626 0.929 1.00 0.33 C ATOM 804 CG ASN A 100 11.437 -3.222 -0.423 1.00 0.52 C ATOM 805 OD1 ASN A 100 10.763 -4.133 -0.903 1.00 1.13 O ATOM 806 ND2 ASN A 100 12.507 -2.735 -1.033 1.00 1.10 N ATOM 0 H ASN A 100 10.549 -2.453 3.458 1.00 0.26 H new ATOM 0 HA ASN A 100 12.170 -4.255 1.804 1.00 0.29 H new ATOM 0 HB2 ASN A 100 10.028 -2.784 1.129 1.00 0.33 H new ATOM 0 HB3 ASN A 100 11.249 -1.548 0.900 1.00 0.33 H new ATOM 0 HD21 ASN A 100 12.798 -3.116 -1.933 1.00 1.10 H new ATOM 0 HD22 ASN A 100 13.040 -1.979 -0.602 1.00 1.10 H new ATOM 813 N ASP A 101 13.362 -1.928 3.486 1.00 0.25 N ATOM 814 CA ASP A 101 14.495 -1.073 3.854 1.00 0.27 C ATOM 815 C ASP A 101 14.540 0.175 2.975 1.00 0.24 C ATOM 816 O ASP A 101 15.494 0.406 2.235 1.00 0.28 O ATOM 817 CB ASP A 101 15.817 -1.845 3.775 1.00 0.38 C ATOM 818 CG ASP A 101 16.978 -1.078 4.381 1.00 1.09 C ATOM 819 OD1 ASP A 101 16.947 -0.813 5.603 1.00 1.17 O ATOM 820 OD2 ASP A 101 17.932 -0.743 3.644 1.00 2.01 O ATOM 0 H ASP A 101 12.719 -2.110 4.256 1.00 0.25 H new ATOM 0 HA ASP A 101 14.355 -0.756 4.887 1.00 0.27 H new ATOM 0 HB2 ASP A 101 15.708 -2.799 4.291 1.00 0.38 H new ATOM 0 HB3 ASP A 101 16.040 -2.070 2.732 1.00 0.38 H new ATOM 825 N LEU A 102 13.487 0.975 3.053 1.00 0.20 N ATOM 826 CA LEU A 102 13.400 2.211 2.295 1.00 0.20 C ATOM 827 C LEU A 102 13.777 3.396 3.167 1.00 0.19 C ATOM 828 O LEU A 102 14.001 3.258 4.371 1.00 0.22 O ATOM 829 CB LEU A 102 11.979 2.441 1.763 1.00 0.19 C ATOM 830 CG LEU A 102 11.459 1.469 0.697 1.00 0.24 C ATOM 831 CD1 LEU A 102 12.559 0.584 0.145 1.00 0.26 C ATOM 832 CD2 LEU A 102 10.319 0.643 1.259 1.00 0.23 C ATOM 0 H LEU A 102 12.674 0.786 3.640 1.00 0.20 H new ATOM 0 HA LEU A 102 14.091 2.122 1.457 1.00 0.20 H new ATOM 0 HB2 LEU A 102 11.293 2.411 2.610 1.00 0.19 H new ATOM 0 HB3 LEU A 102 11.933 3.449 1.351 1.00 0.19 H new ATOM 0 HG LEU A 102 11.086 2.059 -0.140 1.00 0.24 H new ATOM 0 HD11 LEU A 102 12.143 -0.087 -0.606 1.00 0.26 H new ATOM 0 HD12 LEU A 102 13.331 1.204 -0.310 1.00 0.26 H new ATOM 0 HD13 LEU A 102 12.995 -0.002 0.954 1.00 0.26 H new ATOM 0 HD21 LEU A 102 9.956 -0.044 0.495 1.00 0.23 H new ATOM 0 HD22 LEU A 102 10.671 0.075 2.120 1.00 0.23 H new ATOM 0 HD23 LEU A 102 9.508 1.304 1.567 1.00 0.23 H new ATOM 844 N ASN A 103 13.824 4.557 2.543 1.00 0.20 N ATOM 845 CA ASN A 103 14.128 5.804 3.222 1.00 0.21 C ATOM 846 C ASN A 103 12.857 6.362 3.851 1.00 0.18 C ATOM 847 O ASN A 103 11.799 6.365 3.223 1.00 0.16 O ATOM 848 CB ASN A 103 14.686 6.794 2.196 1.00 0.26 C ATOM 849 CG ASN A 103 15.337 8.032 2.793 1.00 0.35 C ATOM 850 OD1 ASN A 103 14.848 8.616 3.756 1.00 0.87 O ATOM 851 ND2 ASN A 103 16.452 8.442 2.215 1.00 0.88 N ATOM 0 H ASN A 103 13.651 4.663 1.543 1.00 0.20 H new ATOM 0 HA ASN A 103 14.864 5.637 4.008 1.00 0.21 H new ATOM 0 HB2 ASN A 103 15.419 6.278 1.576 1.00 0.26 H new ATOM 0 HB3 ASN A 103 13.876 7.108 1.537 1.00 0.26 H new ATOM 0 HD21 ASN A 103 16.935 9.268 2.567 1.00 0.88 H new ATOM 0 HD22 ASN A 103 16.830 7.932 1.416 1.00 0.88 H new ATOM 858 N PRO A 104 12.952 6.834 5.104 1.00 0.21 N ATOM 859 CA PRO A 104 11.826 7.426 5.841 1.00 0.21 C ATOM 860 C PRO A 104 11.184 8.589 5.086 1.00 0.22 C ATOM 861 O PRO A 104 10.062 8.996 5.386 1.00 0.23 O ATOM 862 CB PRO A 104 12.468 7.909 7.145 1.00 0.28 C ATOM 863 CG PRO A 104 13.679 7.056 7.301 1.00 0.32 C ATOM 864 CD PRO A 104 14.183 6.823 5.906 1.00 0.28 C ATOM 0 HA PRO A 104 11.016 6.713 5.993 1.00 0.21 H new ATOM 0 HB2 PRO A 104 12.731 8.965 7.091 1.00 0.28 H new ATOM 0 HB3 PRO A 104 11.789 7.792 7.989 1.00 0.28 H new ATOM 0 HG2 PRO A 104 14.432 7.551 7.914 1.00 0.32 H new ATOM 0 HG3 PRO A 104 13.436 6.115 7.794 1.00 0.32 H new ATOM 0 HD2 PRO A 104 14.876 7.603 5.592 1.00 0.28 H new ATOM 0 HD3 PRO A 104 14.712 5.874 5.821 1.00 0.28 H new ATOM 872 N MET A 105 11.906 9.103 4.096 1.00 0.24 N ATOM 873 CA MET A 105 11.406 10.158 3.224 1.00 0.29 C ATOM 874 C MET A 105 10.196 9.673 2.425 1.00 0.26 C ATOM 875 O MET A 105 9.363 10.470 1.986 1.00 0.34 O ATOM 876 CB MET A 105 12.515 10.604 2.269 1.00 0.35 C ATOM 877 CG MET A 105 12.162 11.820 1.429 1.00 0.44 C ATOM 878 SD MET A 105 11.898 13.302 2.421 1.00 0.92 S ATOM 879 CE MET A 105 13.514 13.508 3.168 1.00 2.08 C ATOM 0 H MET A 105 12.855 8.799 3.876 1.00 0.24 H new ATOM 0 HA MET A 105 11.095 11.001 3.841 1.00 0.29 H new ATOM 0 HB2 MET A 105 13.411 10.825 2.849 1.00 0.35 H new ATOM 0 HB3 MET A 105 12.761 9.776 1.604 1.00 0.35 H new ATOM 0 HG2 MET A 105 12.962 12.006 0.713 1.00 0.44 H new ATOM 0 HG3 MET A 105 11.261 11.609 0.853 1.00 0.44 H new ATOM 0 HE1 MET A 105 13.782 14.565 3.171 1.00 2.08 H new ATOM 0 HE2 MET A 105 13.491 13.137 4.193 1.00 2.08 H new ATOM 0 HE3 MET A 105 14.253 12.948 2.596 1.00 2.08 H new ATOM 889 N PHE A 106 10.084 8.355 2.267 1.00 0.20 N ATOM 890 CA PHE A 106 9.032 7.771 1.448 1.00 0.19 C ATOM 891 C PHE A 106 7.749 7.605 2.248 1.00 0.16 C ATOM 892 O PHE A 106 6.662 7.542 1.677 1.00 0.17 O ATOM 893 CB PHE A 106 9.465 6.408 0.904 1.00 0.19 C ATOM 894 CG PHE A 106 10.534 6.471 -0.153 1.00 0.24 C ATOM 895 CD1 PHE A 106 10.267 7.032 -1.391 1.00 0.31 C ATOM 896 CD2 PHE A 106 11.805 5.965 0.092 1.00 0.24 C ATOM 897 CE1 PHE A 106 11.245 7.088 -2.367 1.00 0.37 C ATOM 898 CE2 PHE A 106 12.783 6.019 -0.883 1.00 0.31 C ATOM 899 CZ PHE A 106 12.503 6.580 -2.112 1.00 0.36 C ATOM 0 H PHE A 106 10.711 7.674 2.697 1.00 0.20 H new ATOM 0 HA PHE A 106 8.848 8.451 0.616 1.00 0.19 H new ATOM 0 HB2 PHE A 106 9.826 5.798 1.732 1.00 0.19 H new ATOM 0 HB3 PHE A 106 8.593 5.901 0.491 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.284 7.430 -1.596 1.00 0.31 H new ATOM 0 HD2 PHE A 106 12.030 5.526 1.053 1.00 0.24 H new ATOM 0 HE1 PHE A 106 11.025 7.529 -3.328 1.00 0.37 H new ATOM 0 HE2 PHE A 106 13.767 5.622 -0.683 1.00 0.31 H new ATOM 0 HZ PHE A 106 13.267 6.622 -2.874 1.00 0.36 H new ATOM 909 N LEU A 107 7.893 7.573 3.570 1.00 0.14 N ATOM 910 CA LEU A 107 6.803 7.242 4.492 1.00 0.12 C ATOM 911 C LEU A 107 5.547 8.075 4.239 1.00 0.13 C ATOM 912 O LEU A 107 4.446 7.533 4.186 1.00 0.14 O ATOM 913 CB LEU A 107 7.300 7.420 5.934 1.00 0.13 C ATOM 914 CG LEU A 107 6.259 7.256 7.041 1.00 0.13 C ATOM 915 CD1 LEU A 107 5.569 5.918 6.921 1.00 0.12 C ATOM 916 CD2 LEU A 107 6.920 7.360 8.400 1.00 0.15 C ATOM 0 H LEU A 107 8.776 7.777 4.038 1.00 0.14 H new ATOM 0 HA LEU A 107 6.516 6.204 4.323 1.00 0.12 H new ATOM 0 HB2 LEU A 107 8.100 6.701 6.110 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.739 8.414 6.023 1.00 0.13 H new ATOM 0 HG LEU A 107 5.520 8.050 6.936 1.00 0.13 H new ATOM 0 HD11 LEU A 107 4.831 5.817 7.717 1.00 0.12 H new ATOM 0 HD12 LEU A 107 5.071 5.851 5.954 1.00 0.12 H new ATOM 0 HD13 LEU A 107 6.306 5.120 7.006 1.00 0.12 H new ATOM 0 HD21 LEU A 107 6.168 7.242 9.180 1.00 0.15 H new ATOM 0 HD22 LEU A 107 7.673 6.578 8.499 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.396 8.336 8.500 1.00 0.15 H new ATOM 928 N ASP A 108 5.707 9.378 4.068 1.00 0.17 N ATOM 929 CA ASP A 108 4.559 10.252 3.844 1.00 0.19 C ATOM 930 C ASP A 108 3.859 9.916 2.530 1.00 0.17 C ATOM 931 O ASP A 108 2.634 9.844 2.475 1.00 0.18 O ATOM 932 CB ASP A 108 4.988 11.722 3.840 1.00 0.28 C ATOM 933 CG ASP A 108 5.509 12.183 5.182 1.00 0.94 C ATOM 934 OD1 ASP A 108 6.698 11.944 5.476 1.00 1.63 O ATOM 935 OD2 ASP A 108 4.724 12.781 5.955 1.00 0.96 O ATOM 0 H ASP A 108 6.610 9.853 4.079 1.00 0.17 H new ATOM 0 HA ASP A 108 3.858 10.089 4.663 1.00 0.19 H new ATOM 0 HB2 ASP A 108 5.761 11.868 3.085 1.00 0.28 H new ATOM 0 HB3 ASP A 108 4.140 12.343 3.552 1.00 0.28 H new ATOM 940 N GLN A 109 4.646 9.683 1.488 1.00 0.20 N ATOM 941 CA GLN A 109 4.121 9.398 0.159 1.00 0.20 C ATOM 942 C GLN A 109 3.257 8.138 0.165 1.00 0.17 C ATOM 943 O GLN A 109 2.104 8.159 -0.280 1.00 0.19 O ATOM 944 CB GLN A 109 5.289 9.247 -0.823 1.00 0.26 C ATOM 945 CG GLN A 109 4.941 8.497 -2.093 1.00 0.43 C ATOM 946 CD GLN A 109 6.132 8.343 -3.019 1.00 0.47 C ATOM 947 OE1 GLN A 109 7.027 9.184 -3.042 1.00 0.86 O ATOM 948 NE2 GLN A 109 6.153 7.262 -3.783 1.00 0.53 N ATOM 0 H GLN A 109 5.665 9.686 1.540 1.00 0.20 H new ATOM 0 HA GLN A 109 3.487 10.227 -0.155 1.00 0.20 H new ATOM 0 HB2 GLN A 109 5.656 10.238 -1.089 1.00 0.26 H new ATOM 0 HB3 GLN A 109 6.106 8.729 -0.321 1.00 0.26 H new ATOM 0 HG2 GLN A 109 4.555 7.511 -1.835 1.00 0.43 H new ATOM 0 HG3 GLN A 109 4.143 9.025 -2.616 1.00 0.43 H new ATOM 0 HE21 GLN A 109 5.389 6.588 -3.733 1.00 0.53 H new ATOM 0 HE22 GLN A 109 6.933 7.104 -4.421 1.00 0.53 H new ATOM 957 N VAL A 110 3.816 7.053 0.681 1.00 0.14 N ATOM 958 CA VAL A 110 3.102 5.787 0.754 1.00 0.14 C ATOM 959 C VAL A 110 1.877 5.897 1.658 1.00 0.13 C ATOM 960 O VAL A 110 0.792 5.440 1.302 1.00 0.15 O ATOM 961 CB VAL A 110 4.023 4.641 1.242 1.00 0.13 C ATOM 962 CG1 VAL A 110 4.779 4.039 0.086 1.00 0.16 C ATOM 963 CG2 VAL A 110 5.020 5.133 2.266 1.00 0.14 C ATOM 0 H VAL A 110 4.764 7.024 1.056 1.00 0.14 H new ATOM 0 HA VAL A 110 2.769 5.549 -0.256 1.00 0.14 H new ATOM 0 HB VAL A 110 3.382 3.888 1.700 1.00 0.13 H new ATOM 0 HG11 VAL A 110 5.420 3.236 0.449 1.00 0.16 H new ATOM 0 HG12 VAL A 110 4.073 3.639 -0.641 1.00 0.16 H new ATOM 0 HG13 VAL A 110 5.391 4.806 -0.387 1.00 0.16 H new ATOM 0 HG21 VAL A 110 5.651 4.304 2.587 1.00 0.14 H new ATOM 0 HG22 VAL A 110 5.642 5.912 1.824 1.00 0.14 H new ATOM 0 HG23 VAL A 110 4.488 5.539 3.126 1.00 0.14 H new ATOM 973 N ALA A 111 2.054 6.540 2.808 1.00 0.11 N ATOM 974 CA ALA A 111 0.975 6.706 3.781 1.00 0.10 C ATOM 975 C ALA A 111 -0.180 7.522 3.211 1.00 0.10 C ATOM 976 O ALA A 111 -1.343 7.160 3.378 1.00 0.10 O ATOM 977 CB ALA A 111 1.506 7.360 5.044 1.00 0.10 C ATOM 0 H ALA A 111 2.940 6.958 3.092 1.00 0.11 H new ATOM 0 HA ALA A 111 0.591 5.715 4.022 1.00 0.10 H new ATOM 0 HB1 ALA A 111 0.694 7.479 5.761 1.00 0.10 H new ATOM 0 HB2 ALA A 111 2.285 6.733 5.478 1.00 0.10 H new ATOM 0 HB3 ALA A 111 1.921 8.338 4.800 1.00 0.10 H new ATOM 983 N LYS A 112 0.134 8.620 2.539 1.00 0.13 N ATOM 984 CA LYS A 112 -0.901 9.478 1.976 1.00 0.16 C ATOM 985 C LYS A 112 -1.660 8.770 0.859 1.00 0.17 C ATOM 986 O LYS A 112 -2.845 9.031 0.654 1.00 0.20 O ATOM 987 CB LYS A 112 -0.299 10.794 1.476 1.00 0.20 C ATOM 988 CG LYS A 112 0.182 11.694 2.607 1.00 0.32 C ATOM 989 CD LYS A 112 -0.949 12.073 3.555 1.00 0.56 C ATOM 990 CE LYS A 112 -1.945 13.025 2.910 1.00 0.97 C ATOM 991 NZ LYS A 112 -1.310 14.318 2.538 1.00 1.37 N ATOM 0 H LYS A 112 1.089 8.937 2.371 1.00 0.13 H new ATOM 0 HA LYS A 112 -1.614 9.706 2.768 1.00 0.16 H new ATOM 0 HB2 LYS A 112 0.537 10.576 0.812 1.00 0.20 H new ATOM 0 HB3 LYS A 112 -1.044 11.327 0.886 1.00 0.20 H new ATOM 0 HG2 LYS A 112 0.968 11.186 3.165 1.00 0.32 H new ATOM 0 HG3 LYS A 112 0.622 12.599 2.188 1.00 0.32 H new ATOM 0 HD2 LYS A 112 -1.468 11.171 3.878 1.00 0.56 H new ATOM 0 HD3 LYS A 112 -0.532 12.537 4.449 1.00 0.56 H new ATOM 0 HE2 LYS A 112 -2.370 12.559 2.021 1.00 0.97 H new ATOM 0 HE3 LYS A 112 -2.770 13.210 3.598 1.00 0.97 H new ATOM 0 HZ1 LYS A 112 -2.048 15.033 2.375 1.00 1.37 H new ATOM 0 HZ2 LYS A 112 -0.687 14.633 3.309 1.00 1.37 H new ATOM 0 HZ3 LYS A 112 -0.751 14.193 1.670 1.00 1.37 H new ATOM 1005 N PHE A 113 -0.997 7.865 0.147 1.00 0.19 N ATOM 1006 CA PHE A 113 -1.691 7.083 -0.867 1.00 0.21 C ATOM 1007 C PHE A 113 -2.601 6.066 -0.184 1.00 0.20 C ATOM 1008 O PHE A 113 -3.734 5.849 -0.609 1.00 0.23 O ATOM 1009 CB PHE A 113 -0.716 6.378 -1.811 1.00 0.25 C ATOM 1010 CG PHE A 113 -1.353 6.028 -3.127 1.00 0.32 C ATOM 1011 CD1 PHE A 113 -2.203 4.940 -3.234 1.00 0.35 C ATOM 1012 CD2 PHE A 113 -1.122 6.808 -4.248 1.00 0.37 C ATOM 1013 CE1 PHE A 113 -2.811 4.634 -4.436 1.00 0.43 C ATOM 1014 CE2 PHE A 113 -1.723 6.505 -5.455 1.00 0.45 C ATOM 1015 CZ PHE A 113 -2.571 5.418 -5.549 1.00 0.47 C ATOM 0 H PHE A 113 -0.003 7.658 0.249 1.00 0.19 H new ATOM 0 HA PHE A 113 -2.288 7.764 -1.474 1.00 0.21 H new ATOM 0 HB2 PHE A 113 0.146 7.021 -1.986 1.00 0.25 H new ATOM 0 HB3 PHE A 113 -0.345 5.470 -1.336 1.00 0.25 H new ATOM 0 HD1 PHE A 113 -2.393 4.324 -2.368 1.00 0.35 H new ATOM 0 HD2 PHE A 113 -0.465 7.662 -4.178 1.00 0.37 H new ATOM 0 HE1 PHE A 113 -3.473 3.783 -4.506 1.00 0.43 H new ATOM 0 HE2 PHE A 113 -1.530 7.117 -6.324 1.00 0.45 H new ATOM 0 HZ PHE A 113 -3.045 5.181 -6.490 1.00 0.47 H new ATOM 1025 N ILE A 114 -2.087 5.454 0.878 1.00 0.18 N ATOM 1026 CA ILE A 114 -2.887 4.597 1.745 1.00 0.18 C ATOM 1027 C ILE A 114 -4.163 5.316 2.164 1.00 0.17 C ATOM 1028 O ILE A 114 -5.272 4.794 2.025 1.00 0.21 O ATOM 1029 CB ILE A 114 -2.088 4.231 3.004 1.00 0.16 C ATOM 1030 CG1 ILE A 114 -1.006 3.216 2.676 1.00 0.19 C ATOM 1031 CG2 ILE A 114 -2.996 3.699 4.096 1.00 0.18 C ATOM 1032 CD1 ILE A 114 0.154 3.280 3.632 1.00 0.17 C ATOM 0 H ILE A 114 -1.110 5.537 1.160 1.00 0.18 H new ATOM 0 HA ILE A 114 -3.142 3.692 1.194 1.00 0.18 H new ATOM 0 HB ILE A 114 -1.614 5.141 3.372 1.00 0.16 H new ATOM 0 HG12 ILE A 114 -1.434 2.214 2.696 1.00 0.19 H new ATOM 0 HG13 ILE A 114 -0.646 3.388 1.662 1.00 0.19 H new ATOM 0 HG21 ILE A 114 -2.401 3.449 4.974 1.00 0.18 H new ATOM 0 HG22 ILE A 114 -3.731 4.459 4.360 1.00 0.18 H new ATOM 0 HG23 ILE A 114 -3.510 2.806 3.739 1.00 0.18 H new ATOM 0 HD11 ILE A 114 0.898 2.534 3.352 1.00 0.17 H new ATOM 0 HD12 ILE A 114 0.603 4.272 3.593 1.00 0.17 H new ATOM 0 HD13 ILE A 114 -0.197 3.080 4.644 1.00 0.17 H new ATOM 1044 N ILE A 115 -3.972 6.523 2.680 1.00 0.14 N ATOM 1045 CA ILE A 115 -5.058 7.390 3.093 1.00 0.17 C ATOM 1046 C ILE A 115 -6.069 7.599 1.978 1.00 0.21 C ATOM 1047 O ILE A 115 -7.261 7.407 2.179 1.00 0.30 O ATOM 1048 CB ILE A 115 -4.498 8.748 3.555 1.00 0.19 C ATOM 1049 CG1 ILE A 115 -3.946 8.605 4.969 1.00 0.18 C ATOM 1050 CG2 ILE A 115 -5.543 9.844 3.489 1.00 0.30 C ATOM 1051 CD1 ILE A 115 -3.195 9.816 5.461 1.00 0.22 C ATOM 0 H ILE A 115 -3.047 6.928 2.823 1.00 0.14 H new ATOM 0 HA ILE A 115 -5.574 6.904 3.921 1.00 0.17 H new ATOM 0 HB ILE A 115 -3.696 9.041 2.877 1.00 0.19 H new ATOM 0 HG12 ILE A 115 -4.771 8.401 5.651 1.00 0.18 H new ATOM 0 HG13 ILE A 115 -3.283 7.741 5.003 1.00 0.18 H new ATOM 0 HG21 ILE A 115 -5.105 10.785 3.824 1.00 0.30 H new ATOM 0 HG22 ILE A 115 -5.893 9.952 2.462 1.00 0.30 H new ATOM 0 HG23 ILE A 115 -6.383 9.585 4.134 1.00 0.30 H new ATOM 0 HD11 ILE A 115 -2.835 9.634 6.474 1.00 0.22 H new ATOM 0 HD12 ILE A 115 -2.347 10.010 4.804 1.00 0.22 H new ATOM 0 HD13 ILE A 115 -3.859 10.680 5.462 1.00 0.22 H new ATOM 1063 N ASP A 116 -5.587 7.965 0.800 1.00 0.21 N ATOM 1064 CA ASP A 116 -6.472 8.312 -0.298 1.00 0.31 C ATOM 1065 C ASP A 116 -7.271 7.105 -0.771 1.00 0.32 C ATOM 1066 O ASP A 116 -8.411 7.246 -1.211 1.00 0.44 O ATOM 1067 CB ASP A 116 -5.689 8.918 -1.456 1.00 0.43 C ATOM 1068 CG ASP A 116 -6.604 9.383 -2.568 1.00 0.90 C ATOM 1069 OD1 ASP A 116 -7.664 9.959 -2.261 1.00 1.43 O ATOM 1070 OD2 ASP A 116 -6.259 9.173 -3.755 1.00 1.21 O ATOM 0 H ASP A 116 -4.593 8.029 0.582 1.00 0.21 H new ATOM 0 HA ASP A 116 -7.176 9.057 0.072 1.00 0.31 H new ATOM 0 HB2 ASP A 116 -5.098 9.760 -1.095 1.00 0.43 H new ATOM 0 HB3 ASP A 116 -4.988 8.181 -1.846 1.00 0.43 H new ATOM 1075 N ASN A 117 -6.686 5.921 -0.643 1.00 0.29 N ATOM 1076 CA ASN A 117 -7.356 4.685 -1.040 1.00 0.37 C ATOM 1077 C ASN A 117 -8.628 4.473 -0.215 1.00 0.42 C ATOM 1078 O ASN A 117 -9.585 3.847 -0.674 1.00 0.59 O ATOM 1079 CB ASN A 117 -6.410 3.488 -0.883 1.00 0.38 C ATOM 1080 CG ASN A 117 -7.018 2.192 -1.386 1.00 0.49 C ATOM 1081 OD1 ASN A 117 -6.916 1.863 -2.568 1.00 0.61 O ATOM 1082 ND2 ASN A 117 -7.642 1.441 -0.493 1.00 0.49 N ATOM 0 H ASN A 117 -5.747 5.788 -0.267 1.00 0.29 H new ATOM 0 HA ASN A 117 -7.637 4.769 -2.090 1.00 0.37 H new ATOM 0 HB2 ASN A 117 -5.486 3.686 -1.427 1.00 0.38 H new ATOM 0 HB3 ASN A 117 -6.144 3.376 0.168 1.00 0.38 H new ATOM 0 HD21 ASN A 117 -8.060 0.554 -0.775 1.00 0.49 H new ATOM 0 HD22 ASN A 117 -7.705 1.749 0.477 1.00 0.49 H new ATOM 1089 N THR A 118 -8.633 4.993 1.007 1.00 0.36 N ATOM 1090 CA THR A 118 -9.817 4.946 1.849 1.00 0.45 C ATOM 1091 C THR A 118 -10.394 6.346 2.064 1.00 0.48 C ATOM 1092 O THR A 118 -11.296 6.547 2.881 1.00 0.87 O ATOM 1093 CB THR A 118 -9.512 4.285 3.206 1.00 0.52 C ATOM 1094 OG1 THR A 118 -8.233 4.717 3.694 1.00 0.51 O ATOM 1095 CG2 THR A 118 -9.528 2.772 3.076 1.00 0.66 C ATOM 0 H THR A 118 -7.829 5.452 1.435 1.00 0.36 H new ATOM 0 HA THR A 118 -10.560 4.340 1.331 1.00 0.45 H new ATOM 0 HB THR A 118 -10.284 4.586 3.915 1.00 0.52 H new ATOM 0 HG1 THR A 118 -7.752 3.952 4.074 1.00 0.51 H new ATOM 0 HG21 THR A 118 -9.311 2.321 4.044 1.00 0.66 H new ATOM 0 HG22 THR A 118 -10.511 2.446 2.737 1.00 0.66 H new ATOM 0 HG23 THR A 118 -8.774 2.461 2.353 1.00 0.66 H new ATOM 1103 N LYS A 119 -9.871 7.308 1.310 1.00 0.36 N ATOM 1104 CA LYS A 119 -10.348 8.681 1.362 1.00 0.37 C ATOM 1105 C LYS A 119 -11.341 8.931 0.230 1.00 0.55 C ATOM 1106 O LYS A 119 -12.550 8.945 0.450 1.00 1.19 O ATOM 1107 CB LYS A 119 -9.168 9.672 1.294 1.00 0.39 C ATOM 1108 CG LYS A 119 -9.580 11.101 0.969 1.00 0.74 C ATOM 1109 CD LYS A 119 -8.496 12.111 1.332 1.00 0.84 C ATOM 1110 CE LYS A 119 -7.212 11.923 0.530 1.00 0.97 C ATOM 1111 NZ LYS A 119 -7.396 12.206 -0.921 1.00 1.55 N ATOM 0 H LYS A 119 -9.108 7.157 0.650 1.00 0.36 H new ATOM 0 HA LYS A 119 -10.859 8.840 2.311 1.00 0.37 H new ATOM 0 HB2 LYS A 119 -8.644 9.664 2.250 1.00 0.39 H new ATOM 0 HB3 LYS A 119 -8.460 9.328 0.540 1.00 0.39 H new ATOM 0 HG2 LYS A 119 -9.805 11.179 -0.095 1.00 0.74 H new ATOM 0 HG3 LYS A 119 -10.496 11.344 1.508 1.00 0.74 H new ATOM 0 HD2 LYS A 119 -8.877 13.119 1.167 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -8.270 12.026 2.395 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -6.439 12.580 0.929 1.00 0.97 H new ATOM 0 HE3 LYS A 119 -6.857 10.900 0.655 1.00 0.97 H new ATOM 0 HZ1 LYS A 119 -6.484 12.480 -1.340 1.00 1.55 H new ATOM 0 HZ2 LYS A 119 -7.754 11.354 -1.398 1.00 1.55 H new ATOM 0 HZ3 LYS A 119 -8.078 12.982 -1.040 1.00 1.55 H new ATOM 1125 N GLY A 120 -10.828 9.120 -0.980 1.00 1.13 N ATOM 1126 CA GLY A 120 -11.698 9.307 -2.124 1.00 1.33 C ATOM 1127 C GLY A 120 -11.202 8.598 -3.366 1.00 1.62 C ATOM 1128 O GLY A 120 -11.926 8.510 -4.358 1.00 2.09 O ATOM 0 H GLY A 120 -9.830 9.147 -1.188 1.00 1.13 H new ATOM 0 HA2 GLY A 120 -12.696 8.943 -1.878 1.00 1.33 H new ATOM 0 HA3 GLY A 120 -11.790 10.373 -2.333 1.00 1.33 H new ATOM 1132 N GLN A 121 -9.974 8.083 -3.301 1.00 2.16 N ATOM 1133 CA GLN A 121 -9.338 7.425 -4.437 1.00 2.71 C ATOM 1134 C GLN A 121 -9.217 8.392 -5.610 1.00 2.44 C ATOM 1135 O GLN A 121 -10.070 8.426 -6.499 1.00 3.00 O ATOM 1136 CB GLN A 121 -10.102 6.154 -4.822 1.00 3.65 C ATOM 1137 CG GLN A 121 -10.044 5.078 -3.747 1.00 4.49 C ATOM 1138 CD GLN A 121 -10.965 3.908 -4.023 1.00 5.40 C ATOM 1139 OE1 GLN A 121 -10.584 2.943 -4.684 1.00 5.92 O ATOM 1140 NE2 GLN A 121 -12.180 3.977 -3.500 1.00 5.94 N ATOM 0 H GLN A 121 -9.396 8.111 -2.461 1.00 2.16 H new ATOM 0 HA GLN A 121 -8.330 7.124 -4.152 1.00 2.71 H new ATOM 0 HB2 GLN A 121 -11.144 6.408 -5.018 1.00 3.65 H new ATOM 0 HB3 GLN A 121 -9.691 5.756 -5.750 1.00 3.65 H new ATOM 0 HG2 GLN A 121 -9.020 4.714 -3.662 1.00 4.49 H new ATOM 0 HG3 GLN A 121 -10.306 5.520 -2.786 1.00 4.49 H new ATOM 0 HE21 GLN A 121 -12.456 4.796 -2.958 1.00 5.94 H new ATOM 0 HE22 GLN A 121 -12.839 3.211 -3.639 1.00 5.94 H new ATOM 1149 N MET A 122 -8.134 9.171 -5.573 1.00 1.98 N ATOM 1150 CA MET A 122 -7.878 10.268 -6.505 1.00 2.42 C ATOM 1151 C MET A 122 -8.698 11.489 -6.112 1.00 2.93 C ATOM 1152 O MET A 122 -9.929 11.492 -6.226 1.00 3.59 O ATOM 1153 CB MET A 122 -8.138 9.879 -7.967 1.00 2.91 C ATOM 1154 CG MET A 122 -7.854 11.007 -8.949 1.00 3.78 C ATOM 1155 SD MET A 122 -6.195 11.700 -8.767 1.00 4.43 S ATOM 1156 CE MET A 122 -5.181 10.261 -9.100 1.00 5.09 C ATOM 0 H MET A 122 -7.396 9.053 -4.879 1.00 1.98 H new ATOM 0 HA MET A 122 -6.817 10.510 -6.437 1.00 2.42 H new ATOM 0 HB2 MET A 122 -7.519 9.019 -8.223 1.00 2.91 H new ATOM 0 HB3 MET A 122 -9.177 9.567 -8.074 1.00 2.91 H new ATOM 0 HG2 MET A 122 -7.977 10.635 -9.966 1.00 3.78 H new ATOM 0 HG3 MET A 122 -8.590 11.798 -8.808 1.00 3.78 H new ATOM 0 HE1 MET A 122 -4.144 10.570 -9.236 1.00 5.09 H new ATOM 0 HE2 MET A 122 -5.246 9.568 -8.261 1.00 5.09 H new ATOM 0 HE3 MET A 122 -5.534 9.769 -10.006 1.00 5.09 H new ATOM 1166 N LEU A 123 -7.987 12.510 -5.633 1.00 3.22 N ATOM 1167 CA LEU A 123 -8.575 13.760 -5.150 1.00 4.12 C ATOM 1168 C LEU A 123 -9.258 13.545 -3.805 1.00 4.02 C ATOM 1169 O LEU A 123 -8.737 13.928 -2.758 1.00 4.70 O ATOM 1170 CB LEU A 123 -9.568 14.349 -6.163 1.00 4.88 C ATOM 1171 CG LEU A 123 -9.999 15.792 -5.901 1.00 5.87 C ATOM 1172 CD1 LEU A 123 -8.791 16.713 -5.894 1.00 6.52 C ATOM 1173 CD2 LEU A 123 -10.999 16.242 -6.949 1.00 6.54 C ATOM 0 H LEU A 123 -6.969 12.491 -5.569 1.00 3.22 H new ATOM 0 HA LEU A 123 -7.763 14.477 -5.025 1.00 4.12 H new ATOM 0 HB2 LEU A 123 -9.121 14.297 -7.156 1.00 4.88 H new ATOM 0 HB3 LEU A 123 -10.458 13.720 -6.180 1.00 4.88 H new ATOM 0 HG LEU A 123 -10.476 15.839 -4.922 1.00 5.87 H new ATOM 0 HD11 LEU A 123 -9.115 17.737 -5.706 1.00 6.52 H new ATOM 0 HD12 LEU A 123 -8.100 16.401 -5.110 1.00 6.52 H new ATOM 0 HD13 LEU A 123 -8.290 16.663 -6.860 1.00 6.52 H new ATOM 0 HD21 LEU A 123 -11.297 17.271 -6.749 1.00 6.54 H new ATOM 0 HD22 LEU A 123 -10.543 16.181 -7.937 1.00 6.54 H new ATOM 0 HD23 LEU A 123 -11.877 15.597 -6.915 1.00 6.54 H new ATOM 1185 N GLY A 124 -10.412 12.906 -3.837 1.00 3.47 N ATOM 1186 CA GLY A 124 -11.141 12.639 -2.620 1.00 3.55 C ATOM 1187 C GLY A 124 -12.638 12.738 -2.818 1.00 3.60 C ATOM 1188 O GLY A 124 -13.123 12.660 -3.946 1.00 4.13 O ATOM 0 H GLY A 124 -10.859 12.566 -4.688 1.00 3.47 H new ATOM 0 HA2 GLY A 124 -10.889 11.642 -2.259 1.00 3.55 H new ATOM 0 HA3 GLY A 124 -10.830 13.345 -1.850 1.00 3.55 H new ATOM 1192 N LEU A 125 -13.363 12.902 -1.723 1.00 3.52 N ATOM 1193 CA LEU A 125 -14.810 13.034 -1.774 1.00 4.14 C ATOM 1194 C LEU A 125 -15.220 14.482 -1.551 1.00 4.84 C ATOM 1195 O LEU A 125 -15.429 15.239 -2.499 1.00 5.10 O ATOM 1196 CB LEU A 125 -15.464 12.145 -0.713 1.00 4.72 C ATOM 1197 CG LEU A 125 -15.364 10.639 -0.965 1.00 4.91 C ATOM 1198 CD1 LEU A 125 -16.003 9.869 0.179 1.00 5.60 C ATOM 1199 CD2 LEU A 125 -16.018 10.270 -2.288 1.00 5.61 C ATOM 0 H LEU A 125 -12.970 12.947 -0.783 1.00 3.52 H new ATOM 0 HA LEU A 125 -15.147 12.718 -2.761 1.00 4.14 H new ATOM 0 HB2 LEU A 125 -15.008 12.366 0.252 1.00 4.72 H new ATOM 0 HB3 LEU A 125 -16.518 12.414 -0.637 1.00 4.72 H new ATOM 0 HG LEU A 125 -14.310 10.368 -1.020 1.00 4.91 H new ATOM 0 HD11 LEU A 125 -15.924 8.799 -0.014 1.00 5.60 H new ATOM 0 HD12 LEU A 125 -15.490 10.108 1.110 1.00 5.60 H new ATOM 0 HD13 LEU A 125 -17.054 10.146 0.262 1.00 5.60 H new ATOM 0 HD21 LEU A 125 -15.935 9.195 -2.447 1.00 5.61 H new ATOM 0 HD22 LEU A 125 -17.070 10.554 -2.265 1.00 5.61 H new ATOM 0 HD23 LEU A 125 -15.518 10.797 -3.101 1.00 5.61 H new ATOM 1211 N GLY A 126 -15.317 14.856 -0.288 1.00 5.52 N ATOM 1212 CA GLY A 126 -15.640 16.219 0.066 1.00 6.43 C ATOM 1213 C GLY A 126 -16.014 16.331 1.525 1.00 7.04 C ATOM 1214 O GLY A 126 -15.243 15.933 2.396 1.00 7.19 O ATOM 0 H GLY A 126 -15.176 14.232 0.507 1.00 5.52 H new ATOM 0 HA2 GLY A 126 -14.787 16.864 -0.144 1.00 6.43 H new ATOM 0 HA3 GLY A 126 -16.466 16.572 -0.552 1.00 6.43 H new ATOM 1218 N ASN A 127 -17.205 16.841 1.786 1.00 7.66 N ATOM 1219 CA ASN A 127 -17.700 16.966 3.149 1.00 8.46 C ATOM 1220 C ASN A 127 -18.835 15.979 3.389 1.00 9.17 C ATOM 1221 O ASN A 127 -19.984 16.242 3.036 1.00 9.63 O ATOM 1222 CB ASN A 127 -18.172 18.397 3.432 1.00 8.87 C ATOM 1223 CG ASN A 127 -17.026 19.366 3.663 1.00 9.56 C ATOM 1224 OD1 ASN A 127 -15.963 18.987 4.159 1.00 9.78 O ATOM 1225 ND2 ASN A 127 -17.236 20.626 3.315 1.00 10.13 N ATOM 0 H ASN A 127 -17.850 17.177 1.071 1.00 7.66 H new ATOM 0 HA ASN A 127 -16.881 16.737 3.831 1.00 8.46 H new ATOM 0 HB2 ASN A 127 -18.773 18.748 2.593 1.00 8.87 H new ATOM 0 HB3 ASN A 127 -18.819 18.393 4.309 1.00 8.87 H new ATOM 0 HD21 ASN A 127 -16.504 21.322 3.455 1.00 10.13 H new ATOM 0 HD22 ASN A 127 -18.130 20.900 2.907 1.00 10.13 H new ATOM 1232 N PRO A 128 -18.516 14.810 3.969 1.00 9.47 N ATOM 1233 CA PRO A 128 -19.498 13.756 4.237 1.00 10.33 C ATOM 1234 C PRO A 128 -20.581 14.215 5.208 1.00 11.23 C ATOM 1235 O PRO A 128 -20.257 14.477 6.389 1.00 11.71 O ATOM 1236 CB PRO A 128 -18.667 12.623 4.854 1.00 10.58 C ATOM 1237 CG PRO A 128 -17.256 12.927 4.479 1.00 9.76 C ATOM 1238 CD PRO A 128 -17.169 14.422 4.420 1.00 9.24 C ATOM 1239 OXT PRO A 128 -21.749 14.327 4.782 1.00 11.59 O ATOM 0 HA PRO A 128 -20.028 13.458 3.332 1.00 10.33 H new ATOM 0 HB2 PRO A 128 -18.789 12.590 5.937 1.00 10.58 H new ATOM 0 HB3 PRO A 128 -18.977 11.652 4.468 1.00 10.58 H new ATOM 0 HG2 PRO A 128 -16.559 12.522 5.213 1.00 9.76 H new ATOM 0 HG3 PRO A 128 -17.001 12.481 3.518 1.00 9.76 H new ATOM 0 HD2 PRO A 128 -16.929 14.852 5.392 1.00 9.24 H new ATOM 0 HD3 PRO A 128 -16.398 14.755 3.725 1.00 9.24 H new TER 1247 PRO A 128