USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 675 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 43 LYS NZ :NH3+ -156:sc= -0.0638! (180deg=0) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= -0.733! USER MOD Set 2.1: A 35 ASN : amide:sc= -4.2! C(o=-4.4!,f=-9.2!) USER MOD Set 2.2: A 65 SER OG : rot 28:sc= -0.176 USER MOD Single : A 12 THR OG1 : rot 66:sc= 0.446 USER MOD Single : A 13 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5.6!) USER MOD Single : A 14 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.257 F(o=-4!,f=-0.26) USER MOD Single : A 25 LYS NZ :NH3+ 132:sc= -0.0547 (180deg=-1.1) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 158:sc= -5.26! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 124:sc= -7.16! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.118 K(o=0.12,f=-0.81) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= -4.8 (180deg=-4.94) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -70:sc= -0.706! USER MOD Single : A 59 GLN : amide:sc= -0.85 X(o=-0.85,f=-1.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.355 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 30:sc= 0.348 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.175 K(o=-0.17,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 146.820 -7.139 10.346 1.00 1.23 N ATOM 50 CA GLU A 4 146.682 -7.730 9.021 1.00 1.41 C ATOM 51 C GLU A 4 145.393 -7.267 8.350 1.00 1.11 C ATOM 52 O GLU A 4 144.711 -6.370 8.846 1.00 1.14 O ATOM 53 CB GLU A 4 146.700 -9.257 9.116 1.00 2.24 C ATOM 54 CG GLU A 4 148.028 -9.876 8.711 1.00 2.94 C ATOM 55 CD GLU A 4 148.521 -10.903 9.712 1.00 3.56 C ATOM 56 OE1 GLU A 4 147.756 -11.244 10.638 1.00 3.90 O ATOM 57 OE2 GLU A 4 149.672 -11.366 9.568 1.00 4.13 O ATOM 0 HA GLU A 4 147.525 -7.400 8.414 1.00 1.41 H new ATOM 0 HB2 GLU A 4 146.468 -9.552 10.139 1.00 2.24 H new ATOM 0 HB3 GLU A 4 145.911 -9.662 8.481 1.00 2.24 H new ATOM 0 HG2 GLU A 4 147.922 -10.348 7.734 1.00 2.94 H new ATOM 0 HG3 GLU A 4 148.775 -9.089 8.606 1.00 2.94 H new ATOM 64 N ILE A 5 145.065 -7.884 7.220 1.00 1.12 N ATOM 65 CA ILE A 5 143.857 -7.535 6.482 1.00 1.00 C ATOM 66 C ILE A 5 142.701 -7.235 7.429 1.00 1.10 C ATOM 67 O ILE A 5 142.646 -7.757 8.543 1.00 1.34 O ATOM 68 CB ILE A 5 143.439 -8.666 5.522 1.00 1.18 C ATOM 69 CG1 ILE A 5 142.169 -8.277 4.764 1.00 1.48 C ATOM 70 CG2 ILE A 5 143.228 -9.962 6.291 1.00 1.56 C ATOM 71 CD1 ILE A 5 142.371 -7.137 3.790 1.00 1.75 C ATOM 0 H ILE A 5 145.619 -8.628 6.795 1.00 1.12 H new ATOM 0 HA ILE A 5 144.088 -6.642 5.902 1.00 1.00 H new ATOM 0 HB ILE A 5 144.238 -8.822 4.798 1.00 1.18 H new ATOM 0 HG12 ILE A 5 141.799 -9.147 4.221 1.00 1.48 H new ATOM 0 HG13 ILE A 5 141.398 -7.998 5.482 1.00 1.48 H new ATOM 0 HG21 ILE A 5 142.933 -10.751 5.600 1.00 1.56 H new ATOM 0 HG22 ILE A 5 144.155 -10.244 6.790 1.00 1.56 H new ATOM 0 HG23 ILE A 5 142.444 -9.820 7.035 1.00 1.56 H new ATOM 0 HD11 ILE A 5 141.429 -6.915 3.289 1.00 1.75 H new ATOM 0 HD12 ILE A 5 142.711 -6.253 4.330 1.00 1.75 H new ATOM 0 HD13 ILE A 5 143.119 -7.420 3.049 1.00 1.75 H new ATOM 83 N ILE A 6 141.779 -6.390 6.980 1.00 1.03 N ATOM 84 CA ILE A 6 140.623 -6.020 7.789 1.00 1.25 C ATOM 85 C ILE A 6 139.325 -6.216 7.014 1.00 1.08 C ATOM 86 O ILE A 6 138.501 -7.060 7.366 1.00 1.31 O ATOM 87 CB ILE A 6 140.711 -4.556 8.259 1.00 1.53 C ATOM 88 CG1 ILE A 6 141.990 -4.333 9.068 1.00 1.88 C ATOM 89 CG2 ILE A 6 139.485 -4.189 9.081 1.00 2.10 C ATOM 90 CD1 ILE A 6 142.036 -2.992 9.767 1.00 2.39 C ATOM 0 H ILE A 6 141.810 -5.949 6.061 1.00 1.03 H new ATOM 0 HA ILE A 6 140.625 -6.674 8.661 1.00 1.25 H new ATOM 0 HB ILE A 6 140.742 -3.909 7.382 1.00 1.53 H new ATOM 0 HG12 ILE A 6 142.083 -5.125 9.811 1.00 1.88 H new ATOM 0 HG13 ILE A 6 142.850 -4.417 8.404 1.00 1.88 H new ATOM 0 HG21 ILE A 6 139.562 -3.151 9.406 1.00 2.10 H new ATOM 0 HG22 ILE A 6 138.589 -4.313 8.473 1.00 2.10 H new ATOM 0 HG23 ILE A 6 139.424 -4.839 9.954 1.00 2.10 H new ATOM 0 HD11 ILE A 6 142.970 -2.902 10.321 1.00 2.39 H new ATOM 0 HD12 ILE A 6 141.975 -2.194 9.027 1.00 2.39 H new ATOM 0 HD13 ILE A 6 141.196 -2.912 10.457 1.00 2.39 H new ATOM 102 N GLU A 7 139.148 -5.430 5.957 1.00 0.88 N ATOM 103 CA GLU A 7 137.949 -5.516 5.132 1.00 0.85 C ATOM 104 C GLU A 7 138.304 -5.865 3.690 1.00 0.78 C ATOM 105 O GLU A 7 139.454 -6.181 3.382 1.00 1.00 O ATOM 106 CB GLU A 7 137.179 -4.195 5.174 1.00 0.97 C ATOM 107 CG GLU A 7 136.743 -3.789 6.572 1.00 1.16 C ATOM 108 CD GLU A 7 135.403 -3.081 6.583 1.00 1.67 C ATOM 109 OE1 GLU A 7 135.305 -1.986 5.991 1.00 2.47 O ATOM 110 OE2 GLU A 7 134.450 -3.622 7.183 1.00 2.05 O ATOM 0 H GLU A 7 139.820 -4.726 5.652 1.00 0.88 H new ATOM 0 HA GLU A 7 137.318 -6.309 5.534 1.00 0.85 H new ATOM 0 HB2 GLU A 7 137.804 -3.407 4.754 1.00 0.97 H new ATOM 0 HB3 GLU A 7 136.298 -4.277 4.537 1.00 0.97 H new ATOM 0 HG2 GLU A 7 136.686 -4.676 7.203 1.00 1.16 H new ATOM 0 HG3 GLU A 7 137.498 -3.136 7.009 1.00 1.16 H new ATOM 117 N ILE A 8 137.310 -5.806 2.810 1.00 0.85 N ATOM 118 CA ILE A 8 137.518 -6.116 1.401 1.00 0.82 C ATOM 119 C ILE A 8 136.827 -5.093 0.505 1.00 0.79 C ATOM 120 O ILE A 8 136.640 -5.324 -0.689 1.00 0.86 O ATOM 121 CB ILE A 8 136.996 -7.522 1.051 1.00 0.96 C ATOM 122 CG1 ILE A 8 137.534 -8.552 2.046 1.00 1.78 C ATOM 123 CG2 ILE A 8 137.388 -7.895 -0.371 1.00 1.57 C ATOM 124 CD1 ILE A 8 137.061 -9.963 1.770 1.00 2.47 C ATOM 0 H ILE A 8 136.353 -5.546 3.048 1.00 0.85 H new ATOM 0 HA ILE A 8 138.593 -6.082 1.226 1.00 0.82 H new ATOM 0 HB ILE A 8 135.908 -7.516 1.116 1.00 0.96 H new ATOM 0 HG12 ILE A 8 138.624 -8.532 2.024 1.00 1.78 H new ATOM 0 HG13 ILE A 8 137.230 -8.266 3.053 1.00 1.78 H new ATOM 0 HG21 ILE A 8 137.012 -8.891 -0.603 1.00 1.57 H new ATOM 0 HG22 ILE A 8 136.960 -7.174 -1.067 1.00 1.57 H new ATOM 0 HG23 ILE A 8 138.474 -7.887 -0.463 1.00 1.57 H new ATOM 0 HD11 ILE A 8 137.481 -10.640 2.514 1.00 2.47 H new ATOM 0 HD12 ILE A 8 135.973 -9.998 1.821 1.00 2.47 H new ATOM 0 HD13 ILE A 8 137.388 -10.268 0.776 1.00 2.47 H new ATOM 136 N GLY A 9 136.448 -3.962 1.091 1.00 0.78 N ATOM 137 CA GLY A 9 135.782 -2.920 0.331 1.00 0.79 C ATOM 138 C GLY A 9 136.657 -1.699 0.130 1.00 0.75 C ATOM 139 O GLY A 9 137.442 -1.643 -0.817 1.00 0.76 O ATOM 0 H GLY A 9 136.590 -3.748 2.078 1.00 0.78 H new ATOM 0 HA2 GLY A 9 135.487 -3.316 -0.641 1.00 0.79 H new ATOM 0 HA3 GLY A 9 134.867 -2.627 0.847 1.00 0.79 H new ATOM 143 N PRO A 10 136.542 -0.698 1.014 1.00 0.75 N ATOM 144 CA PRO A 10 137.334 0.533 0.927 1.00 0.75 C ATOM 145 C PRO A 10 138.811 0.291 1.218 1.00 0.70 C ATOM 146 O PRO A 10 139.684 0.793 0.511 1.00 0.70 O ATOM 147 CB PRO A 10 136.716 1.432 2.000 1.00 0.81 C ATOM 148 CG PRO A 10 136.099 0.490 2.975 1.00 0.83 C ATOM 149 CD PRO A 10 135.630 -0.691 2.171 1.00 0.81 C ATOM 0 HA PRO A 10 137.308 0.965 -0.073 1.00 0.75 H new ATOM 0 HB2 PRO A 10 137.472 2.056 2.477 1.00 0.81 H new ATOM 0 HB3 PRO A 10 135.971 2.104 1.573 1.00 0.81 H new ATOM 0 HG2 PRO A 10 136.821 0.184 3.732 1.00 0.83 H new ATOM 0 HG3 PRO A 10 135.267 0.960 3.499 1.00 0.83 H new ATOM 0 HD2 PRO A 10 135.697 -1.618 2.741 1.00 0.81 H new ATOM 0 HD3 PRO A 10 134.590 -0.580 1.863 1.00 0.81 H new ATOM 157 N PHE A 11 139.083 -0.482 2.265 1.00 0.68 N ATOM 158 CA PHE A 11 140.454 -0.792 2.651 1.00 0.65 C ATOM 159 C PHE A 11 141.339 -0.965 1.421 1.00 0.61 C ATOM 160 O PHE A 11 142.505 -0.569 1.422 1.00 0.69 O ATOM 161 CB PHE A 11 140.490 -2.062 3.503 1.00 0.67 C ATOM 162 CG PHE A 11 141.869 -2.444 3.958 1.00 0.69 C ATOM 163 CD1 PHE A 11 142.832 -2.836 3.042 1.00 1.37 C ATOM 164 CD2 PHE A 11 142.203 -2.412 5.303 1.00 1.39 C ATOM 165 CE1 PHE A 11 144.102 -3.189 3.459 1.00 1.44 C ATOM 166 CE2 PHE A 11 143.471 -2.763 5.725 1.00 1.40 C ATOM 167 CZ PHE A 11 144.421 -3.153 4.802 1.00 0.82 C ATOM 0 H PHE A 11 138.371 -0.905 2.861 1.00 0.68 H new ATOM 0 HA PHE A 11 140.838 0.042 3.238 1.00 0.65 H new ATOM 0 HB2 PHE A 11 139.855 -1.921 4.377 1.00 0.67 H new ATOM 0 HB3 PHE A 11 140.065 -2.886 2.930 1.00 0.67 H new ATOM 0 HD1 PHE A 11 142.588 -2.866 1.990 1.00 1.37 H new ATOM 0 HD2 PHE A 11 141.463 -2.109 6.030 1.00 1.39 H new ATOM 0 HE1 PHE A 11 144.844 -3.493 2.735 1.00 1.44 H new ATOM 0 HE2 PHE A 11 143.719 -2.732 6.776 1.00 1.40 H new ATOM 0 HZ PHE A 11 145.412 -3.429 5.130 1.00 0.82 H new ATOM 177 N THR A 12 140.777 -1.558 0.373 1.00 0.61 N ATOM 178 CA THR A 12 141.512 -1.784 -0.864 1.00 0.61 C ATOM 179 C THR A 12 141.480 -0.542 -1.749 1.00 0.62 C ATOM 180 O THR A 12 142.522 0.030 -2.075 1.00 0.59 O ATOM 181 CB THR A 12 140.919 -2.976 -1.614 1.00 0.70 C ATOM 182 OG1 THR A 12 139.649 -3.318 -1.088 1.00 0.88 O ATOM 183 CG2 THR A 12 141.787 -4.215 -1.556 1.00 0.71 C ATOM 0 H THR A 12 139.813 -1.891 0.357 1.00 0.61 H new ATOM 0 HA THR A 12 142.550 -1.999 -0.612 1.00 0.61 H new ATOM 0 HB THR A 12 140.844 -2.653 -2.652 1.00 0.70 H new ATOM 0 HG1 THR A 12 139.018 -2.587 -1.255 1.00 0.88 H new ATOM 0 HG21 THR A 12 141.306 -5.022 -2.109 1.00 0.71 H new ATOM 0 HG22 THR A 12 142.759 -4.000 -2.000 1.00 0.71 H new ATOM 0 HG23 THR A 12 141.922 -4.516 -0.517 1.00 0.71 H new ATOM 191 N GLN A 13 140.278 -0.126 -2.130 1.00 0.70 N ATOM 192 CA GLN A 13 140.111 1.050 -2.972 1.00 0.75 C ATOM 193 C GLN A 13 140.923 2.216 -2.424 1.00 0.69 C ATOM 194 O GLN A 13 141.452 3.030 -3.180 1.00 0.70 O ATOM 195 CB GLN A 13 138.632 1.435 -3.065 1.00 0.86 C ATOM 196 CG GLN A 13 138.159 2.325 -1.927 1.00 1.43 C ATOM 197 CD GLN A 13 136.648 2.396 -1.832 1.00 1.70 C ATOM 198 OE1 GLN A 13 136.092 2.620 -0.756 1.00 2.04 O ATOM 199 NE2 GLN A 13 135.973 2.204 -2.960 1.00 2.43 N ATOM 0 H GLN A 13 139.406 -0.586 -1.869 1.00 0.70 H new ATOM 0 HA GLN A 13 140.473 0.811 -3.972 1.00 0.75 H new ATOM 0 HB2 GLN A 13 138.458 1.947 -4.011 1.00 0.86 H new ATOM 0 HB3 GLN A 13 138.030 0.527 -3.079 1.00 0.86 H new ATOM 0 HG2 GLN A 13 138.561 1.950 -0.986 1.00 1.43 H new ATOM 0 HG3 GLN A 13 138.558 3.330 -2.066 1.00 1.43 H new ATOM 0 HE21 GLN A 13 136.474 2.021 -3.829 1.00 2.43 H new ATOM 0 HE22 GLN A 13 134.954 2.239 -2.957 1.00 2.43 H new ATOM 208 N ASN A 14 141.022 2.285 -1.100 1.00 0.66 N ATOM 209 CA ASN A 14 141.774 3.346 -0.446 1.00 0.63 C ATOM 210 C ASN A 14 143.129 3.528 -1.112 1.00 0.58 C ATOM 211 O ASN A 14 143.389 4.555 -1.738 1.00 0.61 O ATOM 212 CB ASN A 14 141.957 3.032 1.039 1.00 0.62 C ATOM 213 CG ASN A 14 141.504 4.170 1.932 1.00 0.83 C ATOM 214 OD1 ASN A 14 140.586 4.916 1.589 1.00 1.32 O ATOM 215 ND2 ASN A 14 142.147 4.310 3.085 1.00 1.57 N ATOM 0 H ASN A 14 140.590 1.618 -0.461 1.00 0.66 H new ATOM 0 HA ASN A 14 141.211 4.274 -0.542 1.00 0.63 H new ATOM 0 HB2 ASN A 14 141.395 2.132 1.289 1.00 0.62 H new ATOM 0 HB3 ASN A 14 143.007 2.816 1.235 1.00 0.62 H new ATOM 0 HD21 ASN A 14 141.886 5.059 3.727 1.00 1.57 H new ATOM 0 HD22 ASN A 14 142.902 3.669 3.329 1.00 1.57 H new ATOM 222 N LEU A 15 143.990 2.523 -0.985 1.00 0.53 N ATOM 223 CA LEU A 15 145.309 2.590 -1.595 1.00 0.52 C ATOM 224 C LEU A 15 145.180 3.040 -3.042 1.00 0.56 C ATOM 225 O LEU A 15 146.061 3.711 -3.579 1.00 0.57 O ATOM 226 CB LEU A 15 146.013 1.233 -1.525 1.00 0.54 C ATOM 227 CG LEU A 15 147.541 1.293 -1.587 1.00 0.91 C ATOM 228 CD1 LEU A 15 147.999 2.493 -2.402 1.00 1.60 C ATOM 229 CD2 LEU A 15 148.128 1.343 -0.185 1.00 1.65 C ATOM 0 H LEU A 15 143.799 1.663 -0.471 1.00 0.53 H new ATOM 0 HA LEU A 15 145.911 3.312 -1.044 1.00 0.52 H new ATOM 0 HB2 LEU A 15 145.721 0.737 -0.600 1.00 0.54 H new ATOM 0 HB3 LEU A 15 145.655 0.612 -2.346 1.00 0.54 H new ATOM 0 HG LEU A 15 147.900 0.390 -2.080 1.00 0.91 H new ATOM 0 HD11 LEU A 15 149.088 2.517 -2.434 1.00 1.60 H new ATOM 0 HD12 LEU A 15 147.608 2.414 -3.417 1.00 1.60 H new ATOM 0 HD13 LEU A 15 147.629 3.409 -1.941 1.00 1.60 H new ATOM 0 HD21 LEU A 15 149.215 1.385 -0.247 1.00 1.65 H new ATOM 0 HD22 LEU A 15 147.759 2.229 0.332 1.00 1.65 H new ATOM 0 HD23 LEU A 15 147.831 0.451 0.366 1.00 1.65 H new ATOM 241 N GLY A 16 144.061 2.675 -3.662 1.00 0.62 N ATOM 242 CA GLY A 16 143.819 3.059 -5.038 1.00 0.70 C ATOM 243 C GLY A 16 143.782 4.564 -5.204 1.00 0.72 C ATOM 244 O GLY A 16 144.344 5.106 -6.157 1.00 0.75 O ATOM 0 H GLY A 16 143.319 2.121 -3.235 1.00 0.62 H new ATOM 0 HA2 GLY A 16 144.600 2.642 -5.674 1.00 0.70 H new ATOM 0 HA3 GLY A 16 142.873 2.633 -5.373 1.00 0.70 H new ATOM 248 N LYS A 17 143.126 5.246 -4.266 1.00 0.72 N ATOM 249 CA LYS A 17 143.033 6.699 -4.311 1.00 0.77 C ATOM 250 C LYS A 17 144.424 7.318 -4.257 1.00 0.73 C ATOM 251 O LYS A 17 144.865 7.970 -5.205 1.00 0.77 O ATOM 252 CB LYS A 17 142.183 7.215 -3.148 1.00 0.82 C ATOM 253 CG LYS A 17 141.238 8.340 -3.537 1.00 1.25 C ATOM 254 CD LYS A 17 140.417 8.813 -2.348 1.00 1.49 C ATOM 255 CE LYS A 17 139.202 9.611 -2.792 1.00 1.95 C ATOM 256 NZ LYS A 17 138.162 9.679 -1.728 1.00 2.69 N ATOM 0 H LYS A 17 142.654 4.816 -3.471 1.00 0.72 H new ATOM 0 HA LYS A 17 142.555 6.987 -5.248 1.00 0.77 H new ATOM 0 HB2 LYS A 17 141.602 6.389 -2.739 1.00 0.82 H new ATOM 0 HB3 LYS A 17 142.843 7.564 -2.354 1.00 0.82 H new ATOM 0 HG2 LYS A 17 141.811 9.175 -3.940 1.00 1.25 H new ATOM 0 HG3 LYS A 17 140.571 7.999 -4.329 1.00 1.25 H new ATOM 0 HD2 LYS A 17 140.094 7.952 -1.762 1.00 1.49 H new ATOM 0 HD3 LYS A 17 141.039 9.427 -1.696 1.00 1.49 H new ATOM 0 HE2 LYS A 17 139.510 10.621 -3.063 1.00 1.95 H new ATOM 0 HE3 LYS A 17 138.777 9.157 -3.687 1.00 1.95 H new ATOM 0 HZ1 LYS A 17 137.350 10.232 -2.071 1.00 2.69 H new ATOM 0 HZ2 LYS A 17 137.849 8.717 -1.487 1.00 2.69 H new ATOM 0 HZ3 LYS A 17 138.560 10.136 -0.883 1.00 2.69 H new ATOM 270 N PHE A 18 145.117 7.097 -3.146 1.00 0.68 N ATOM 271 CA PHE A 18 146.465 7.621 -2.973 1.00 0.67 C ATOM 272 C PHE A 18 147.433 6.937 -3.931 1.00 0.68 C ATOM 273 O PHE A 18 148.554 7.402 -4.136 1.00 0.71 O ATOM 274 CB PHE A 18 146.932 7.430 -1.529 1.00 0.66 C ATOM 275 CG PHE A 18 145.974 7.979 -0.511 1.00 0.94 C ATOM 276 CD1 PHE A 18 145.612 9.317 -0.531 1.00 1.55 C ATOM 277 CD2 PHE A 18 145.435 7.158 0.466 1.00 1.73 C ATOM 278 CE1 PHE A 18 144.730 9.824 0.404 1.00 1.84 C ATOM 279 CE2 PHE A 18 144.553 7.660 1.405 1.00 2.10 C ATOM 280 CZ PHE A 18 144.200 8.995 1.373 1.00 1.80 C ATOM 0 H PHE A 18 144.768 6.559 -2.353 1.00 0.68 H new ATOM 0 HA PHE A 18 146.448 8.687 -3.198 1.00 0.67 H new ATOM 0 HB2 PHE A 18 147.079 6.366 -1.341 1.00 0.66 H new ATOM 0 HB3 PHE A 18 147.901 7.913 -1.402 1.00 0.66 H new ATOM 0 HD1 PHE A 18 146.024 9.970 -1.286 1.00 1.55 H new ATOM 0 HD2 PHE A 18 145.707 6.113 0.495 1.00 1.73 H new ATOM 0 HE1 PHE A 18 144.455 10.868 0.377 1.00 1.84 H new ATOM 0 HE2 PHE A 18 144.141 7.009 2.162 1.00 2.10 H new ATOM 0 HZ PHE A 18 143.511 9.390 2.105 1.00 1.80 H new ATOM 290 N ALA A 19 146.988 5.832 -4.521 1.00 0.68 N ATOM 291 CA ALA A 19 147.809 5.084 -5.464 1.00 0.74 C ATOM 292 C ALA A 19 148.229 5.968 -6.631 1.00 0.80 C ATOM 293 O ALA A 19 149.417 6.116 -6.915 1.00 0.87 O ATOM 294 CB ALA A 19 147.056 3.862 -5.969 1.00 0.80 C ATOM 0 H ALA A 19 146.062 5.435 -4.362 1.00 0.68 H new ATOM 0 HA ALA A 19 148.708 4.750 -4.946 1.00 0.74 H new ATOM 0 HB1 ALA A 19 147.682 3.314 -6.673 1.00 0.80 H new ATOM 0 HB2 ALA A 19 146.804 3.216 -5.128 1.00 0.80 H new ATOM 0 HB3 ALA A 19 146.141 4.179 -6.469 1.00 0.80 H new ATOM 300 N VAL A 20 147.244 6.557 -7.299 1.00 0.84 N ATOM 301 CA VAL A 20 147.510 7.434 -8.432 1.00 0.92 C ATOM 302 C VAL A 20 148.081 8.766 -7.961 1.00 0.91 C ATOM 303 O VAL A 20 148.843 9.415 -8.678 1.00 0.99 O ATOM 304 CB VAL A 20 146.235 7.695 -9.255 1.00 1.03 C ATOM 305 CG1 VAL A 20 145.202 8.436 -8.420 1.00 1.61 C ATOM 306 CG2 VAL A 20 146.566 8.471 -10.520 1.00 1.34 C ATOM 0 H VAL A 20 146.255 6.443 -7.076 1.00 0.84 H new ATOM 0 HA VAL A 20 148.239 6.928 -9.065 1.00 0.92 H new ATOM 0 HB VAL A 20 145.810 6.735 -9.547 1.00 1.03 H new ATOM 0 HG11 VAL A 20 144.308 8.611 -9.019 1.00 1.61 H new ATOM 0 HG12 VAL A 20 144.942 7.837 -7.547 1.00 1.61 H new ATOM 0 HG13 VAL A 20 145.614 9.391 -8.095 1.00 1.61 H new ATOM 0 HG21 VAL A 20 145.653 8.646 -11.089 1.00 1.34 H new ATOM 0 HG22 VAL A 20 147.016 9.427 -10.253 1.00 1.34 H new ATOM 0 HG23 VAL A 20 147.267 7.897 -11.126 1.00 1.34 H new ATOM 316 N ASP A 21 147.707 9.167 -6.750 1.00 0.87 N ATOM 317 CA ASP A 21 148.182 10.422 -6.180 1.00 0.96 C ATOM 318 C ASP A 21 149.586 10.264 -5.604 1.00 0.98 C ATOM 319 O ASP A 21 150.278 11.250 -5.351 1.00 1.14 O ATOM 320 CB ASP A 21 147.224 10.907 -5.090 1.00 0.99 C ATOM 321 CG ASP A 21 146.651 12.278 -5.391 1.00 1.46 C ATOM 322 OD1 ASP A 21 145.662 12.355 -6.149 1.00 1.99 O ATOM 323 OD2 ASP A 21 147.193 13.275 -4.869 1.00 2.08 O ATOM 0 H ASP A 21 147.077 8.641 -6.145 1.00 0.87 H new ATOM 0 HA ASP A 21 148.218 11.162 -6.979 1.00 0.96 H new ATOM 0 HB2 ASP A 21 146.409 10.191 -4.982 1.00 0.99 H new ATOM 0 HB3 ASP A 21 147.750 10.938 -4.136 1.00 0.99 H new ATOM 328 N GLU A 22 150.002 9.017 -5.400 1.00 0.90 N ATOM 329 CA GLU A 22 151.325 8.734 -4.853 1.00 1.00 C ATOM 330 C GLU A 22 152.211 8.053 -5.892 1.00 0.92 C ATOM 331 O GLU A 22 153.436 8.164 -5.846 1.00 0.92 O ATOM 332 CB GLU A 22 151.210 7.850 -3.609 1.00 1.18 C ATOM 333 CG GLU A 22 150.597 8.558 -2.412 1.00 1.84 C ATOM 334 CD GLU A 22 149.618 9.644 -2.813 1.00 2.79 C ATOM 335 OE1 GLU A 22 150.066 10.781 -3.072 1.00 3.27 O ATOM 336 OE2 GLU A 22 148.403 9.359 -2.868 1.00 3.53 O ATOM 0 H GLU A 22 149.443 8.188 -5.605 1.00 0.90 H new ATOM 0 HA GLU A 22 151.784 9.683 -4.575 1.00 1.00 H new ATOM 0 HB2 GLU A 22 150.607 6.975 -3.850 1.00 1.18 H new ATOM 0 HB3 GLU A 22 152.202 7.489 -3.338 1.00 1.18 H new ATOM 0 HG2 GLU A 22 150.086 7.827 -1.785 1.00 1.84 H new ATOM 0 HG3 GLU A 22 151.392 8.996 -1.808 1.00 1.84 H new ATOM 343 N GLU A 23 151.584 7.346 -6.826 1.00 0.89 N ATOM 344 CA GLU A 23 152.316 6.646 -7.875 1.00 0.91 C ATOM 345 C GLU A 23 153.526 7.456 -8.329 1.00 0.93 C ATOM 346 O GLU A 23 154.543 6.896 -8.737 1.00 0.98 O ATOM 347 CB GLU A 23 151.398 6.367 -9.067 1.00 0.94 C ATOM 348 CG GLU A 23 151.556 4.969 -9.642 1.00 1.03 C ATOM 349 CD GLU A 23 152.323 4.959 -10.950 1.00 1.41 C ATOM 350 OE1 GLU A 23 151.744 5.362 -11.980 1.00 2.01 O ATOM 351 OE2 GLU A 23 153.502 4.549 -10.943 1.00 2.02 O ATOM 0 H GLU A 23 150.571 7.243 -6.878 1.00 0.89 H new ATOM 0 HA GLU A 23 152.669 5.699 -7.467 1.00 0.91 H new ATOM 0 HB2 GLU A 23 150.362 6.509 -8.758 1.00 0.94 H new ATOM 0 HB3 GLU A 23 151.600 7.098 -9.850 1.00 0.94 H new ATOM 0 HG2 GLU A 23 152.072 4.339 -8.918 1.00 1.03 H new ATOM 0 HG3 GLU A 23 150.570 4.532 -9.800 1.00 1.03 H new ATOM 358 N ASN A 24 153.408 8.778 -8.256 1.00 0.95 N ATOM 359 CA ASN A 24 154.491 9.666 -8.660 1.00 1.03 C ATOM 360 C ASN A 24 155.670 9.564 -7.696 1.00 1.02 C ATOM 361 O ASN A 24 156.826 9.518 -8.117 1.00 1.02 O ATOM 362 CB ASN A 24 153.995 11.111 -8.727 1.00 1.11 C ATOM 363 CG ASN A 24 153.322 11.431 -10.047 1.00 1.23 C ATOM 364 OD1 ASN A 24 152.495 10.509 -10.528 1.00 1.55 O flip ATOM 365 ND2 ASN A 24 153.541 12.493 -10.628 1.00 1.09 N flip ATOM 0 H ASN A 24 152.573 9.258 -7.921 1.00 0.95 H new ATOM 0 HA ASN A 24 154.828 9.358 -9.650 1.00 1.03 H new ATOM 0 HB2 ASN A 24 153.293 11.289 -7.912 1.00 1.11 H new ATOM 0 HB3 ASN A 24 154.836 11.788 -8.578 1.00 1.11 H new ATOM 0 HD21 ASN A 24 154.184 13.173 -10.222 1.00 1.09 H new ATOM 0 HD22 ASN A 24 153.080 12.693 -11.515 1.00 1.09 H new ATOM 372 N LYS A 25 155.370 9.532 -6.401 1.00 1.06 N ATOM 373 CA LYS A 25 156.406 9.437 -5.379 1.00 1.06 C ATOM 374 C LYS A 25 157.435 8.370 -5.742 1.00 1.09 C ATOM 375 O LYS A 25 158.410 8.649 -6.442 1.00 1.20 O ATOM 376 CB LYS A 25 155.782 9.124 -4.017 1.00 1.01 C ATOM 377 CG LYS A 25 155.550 10.356 -3.157 1.00 1.43 C ATOM 378 CD LYS A 25 155.705 10.039 -1.678 1.00 1.75 C ATOM 379 CE LYS A 25 156.609 11.046 -0.985 1.00 2.15 C ATOM 380 NZ LYS A 25 157.350 10.435 0.153 1.00 2.31 N ATOM 0 H LYS A 25 154.419 9.570 -6.035 1.00 1.06 H new ATOM 0 HA LYS A 25 156.915 10.399 -5.323 1.00 1.06 H new ATOM 0 HB2 LYS A 25 154.831 8.614 -4.171 1.00 1.01 H new ATOM 0 HB3 LYS A 25 156.431 8.433 -3.479 1.00 1.01 H new ATOM 0 HG2 LYS A 25 156.257 11.137 -3.439 1.00 1.43 H new ATOM 0 HG3 LYS A 25 154.550 10.748 -3.343 1.00 1.43 H new ATOM 0 HD2 LYS A 25 154.725 10.038 -1.200 1.00 1.75 H new ATOM 0 HD3 LYS A 25 156.117 9.037 -1.561 1.00 1.75 H new ATOM 0 HE2 LYS A 25 157.320 11.452 -1.705 1.00 2.15 H new ATOM 0 HE3 LYS A 25 156.011 11.882 -0.622 1.00 2.15 H new ATOM 0 HZ1 LYS A 25 158.356 10.690 0.089 1.00 2.31 H new ATOM 0 HZ2 LYS A 25 156.960 10.787 1.050 1.00 2.31 H new ATOM 0 HZ3 LYS A 25 157.252 9.400 0.115 1.00 2.31 H new ATOM 394 N ILE A 26 157.216 7.148 -5.265 1.00 1.00 N ATOM 395 CA ILE A 26 158.127 6.045 -5.543 1.00 1.05 C ATOM 396 C ILE A 26 158.669 6.126 -6.966 1.00 1.14 C ATOM 397 O ILE A 26 159.856 5.898 -7.203 1.00 1.24 O ATOM 398 CB ILE A 26 157.437 4.682 -5.346 1.00 0.97 C ATOM 399 CG1 ILE A 26 158.469 3.553 -5.379 1.00 1.08 C ATOM 400 CG2 ILE A 26 156.374 4.467 -6.413 1.00 0.94 C ATOM 401 CD1 ILE A 26 159.783 3.917 -4.722 1.00 1.64 C ATOM 0 H ILE A 26 156.416 6.898 -4.684 1.00 1.00 H new ATOM 0 HA ILE A 26 158.952 6.131 -4.836 1.00 1.05 H new ATOM 0 HB ILE A 26 156.951 4.676 -4.370 1.00 0.97 H new ATOM 0 HG12 ILE A 26 158.053 2.677 -4.881 1.00 1.08 H new ATOM 0 HG13 ILE A 26 158.656 3.272 -6.416 1.00 1.08 H new ATOM 0 HG21 ILE A 26 155.896 3.500 -6.260 1.00 0.94 H new ATOM 0 HG22 ILE A 26 155.626 5.257 -6.345 1.00 0.94 H new ATOM 0 HG23 ILE A 26 156.838 4.491 -7.399 1.00 0.94 H new ATOM 0 HD11 ILE A 26 160.467 3.070 -4.782 1.00 1.64 H new ATOM 0 HD12 ILE A 26 160.221 4.774 -5.234 1.00 1.64 H new ATOM 0 HD13 ILE A 26 159.609 4.169 -3.676 1.00 1.64 H new ATOM 413 N GLY A 27 157.793 6.451 -7.910 1.00 1.13 N ATOM 414 CA GLY A 27 158.203 6.555 -9.298 1.00 1.24 C ATOM 415 C GLY A 27 158.513 7.982 -9.706 1.00 1.28 C ATOM 416 O GLY A 27 158.929 8.794 -8.880 1.00 1.28 O ATOM 0 H GLY A 27 156.806 6.644 -7.739 1.00 1.13 H new ATOM 0 HA2 GLY A 27 159.084 5.934 -9.461 1.00 1.24 H new ATOM 0 HA3 GLY A 27 157.413 6.161 -9.937 1.00 1.24 H new ATOM 420 N GLN A 28 158.311 8.287 -10.984 1.00 1.40 N ATOM 421 CA GLN A 28 158.573 9.625 -11.501 1.00 1.46 C ATOM 422 C GLN A 28 157.371 10.153 -12.278 1.00 1.46 C ATOM 423 O GLN A 28 157.025 11.330 -12.182 1.00 1.54 O ATOM 424 CB GLN A 28 159.811 9.615 -12.399 1.00 1.55 C ATOM 425 CG GLN A 28 161.121 9.611 -11.629 1.00 1.73 C ATOM 426 CD GLN A 28 162.328 9.461 -12.534 1.00 2.09 C ATOM 427 OE1 GLN A 28 162.783 8.349 -12.803 1.00 2.69 O ATOM 428 NE2 GLN A 28 162.855 10.584 -13.009 1.00 2.51 N ATOM 0 H GLN A 28 157.967 7.626 -11.680 1.00 1.40 H new ATOM 0 HA GLN A 28 158.754 10.286 -10.653 1.00 1.46 H new ATOM 0 HB2 GLN A 28 159.775 8.736 -13.043 1.00 1.55 H new ATOM 0 HB3 GLN A 28 159.784 10.489 -13.050 1.00 1.55 H new ATOM 0 HG2 GLN A 28 161.209 10.539 -11.063 1.00 1.73 H new ATOM 0 HG3 GLN A 28 161.110 8.796 -10.905 1.00 1.73 H new ATOM 0 HE21 GLN A 28 162.446 11.485 -12.760 1.00 2.51 H new ATOM 0 HE22 GLN A 28 163.669 10.546 -13.623 1.00 2.51 H new ATOM 437 N TYR A 29 156.738 9.274 -13.048 1.00 1.44 N ATOM 438 CA TYR A 29 155.575 9.651 -13.842 1.00 1.50 C ATOM 439 C TYR A 29 154.424 8.675 -13.619 1.00 1.40 C ATOM 440 O TYR A 29 154.420 7.570 -14.162 1.00 1.43 O ATOM 441 CB TYR A 29 155.938 9.699 -15.327 1.00 1.61 C ATOM 442 CG TYR A 29 155.579 11.006 -15.998 1.00 2.04 C ATOM 443 CD1 TYR A 29 154.311 11.212 -16.525 1.00 2.59 C ATOM 444 CD2 TYR A 29 156.509 12.033 -16.103 1.00 2.59 C ATOM 445 CE1 TYR A 29 153.979 12.405 -17.139 1.00 3.11 C ATOM 446 CE2 TYR A 29 156.185 13.229 -16.715 1.00 3.14 C ATOM 447 CZ TYR A 29 154.919 13.410 -17.231 1.00 3.21 C ATOM 448 OH TYR A 29 154.593 14.599 -17.841 1.00 3.85 O ATOM 0 H TYR A 29 157.011 8.295 -13.139 1.00 1.44 H new ATOM 0 HA TYR A 29 155.254 10.642 -13.522 1.00 1.50 H new ATOM 0 HB2 TYR A 29 157.009 9.527 -15.436 1.00 1.61 H new ATOM 0 HB3 TYR A 29 155.430 8.884 -15.843 1.00 1.61 H new ATOM 0 HD1 TYR A 29 153.572 10.427 -16.454 1.00 2.59 H new ATOM 0 HD2 TYR A 29 157.501 11.894 -15.700 1.00 2.59 H new ATOM 0 HE1 TYR A 29 152.989 12.549 -17.545 1.00 3.11 H new ATOM 0 HE2 TYR A 29 156.919 14.018 -16.789 1.00 3.14 H new ATOM 0 HH TYR A 29 155.367 15.200 -17.821 1.00 3.85 H new ATOM 458 N GLY A 30 153.449 9.091 -12.817 1.00 1.41 N ATOM 459 CA GLY A 30 152.306 8.241 -12.538 1.00 1.41 C ATOM 460 C GLY A 30 151.513 7.907 -13.786 1.00 1.35 C ATOM 461 O GLY A 30 151.887 8.300 -14.891 1.00 1.39 O ATOM 0 H GLY A 30 153.430 10.001 -12.356 1.00 1.41 H new ATOM 0 HA2 GLY A 30 152.649 7.318 -12.071 1.00 1.41 H new ATOM 0 HA3 GLY A 30 151.654 8.738 -11.819 1.00 1.41 H new ATOM 465 N ARG A 31 150.414 7.180 -13.610 1.00 1.35 N ATOM 466 CA ARG A 31 149.567 6.793 -14.733 1.00 1.36 C ATOM 467 C ARG A 31 148.153 6.467 -14.262 1.00 1.20 C ATOM 468 O ARG A 31 147.774 6.787 -13.135 1.00 1.15 O ATOM 469 CB ARG A 31 150.166 5.587 -15.459 1.00 1.53 C ATOM 470 CG ARG A 31 150.631 5.897 -16.872 1.00 1.66 C ATOM 471 CD ARG A 31 149.493 5.771 -17.873 1.00 1.94 C ATOM 472 NE ARG A 31 149.980 5.509 -19.224 1.00 2.67 N ATOM 473 CZ ARG A 31 149.182 5.318 -20.270 1.00 3.41 C ATOM 474 NH1 ARG A 31 147.866 5.359 -20.118 1.00 3.66 N ATOM 475 NH2 ARG A 31 149.701 5.085 -21.468 1.00 4.36 N ATOM 0 H ARG A 31 150.089 6.847 -12.702 1.00 1.35 H new ATOM 0 HA ARG A 31 149.515 7.635 -15.423 1.00 1.36 H new ATOM 0 HB2 ARG A 31 151.010 5.209 -14.882 1.00 1.53 H new ATOM 0 HB3 ARG A 31 149.423 4.790 -15.496 1.00 1.53 H new ATOM 0 HG2 ARG A 31 151.039 6.907 -16.909 1.00 1.66 H new ATOM 0 HG3 ARG A 31 151.437 5.217 -17.148 1.00 1.66 H new ATOM 0 HD2 ARG A 31 148.827 4.965 -17.565 1.00 1.94 H new ATOM 0 HD3 ARG A 31 148.905 6.689 -17.871 1.00 1.94 H new ATOM 0 HE ARG A 31 150.988 5.470 -19.374 1.00 2.67 H new ATOM 0 HH11 ARG A 31 147.464 5.537 -19.198 1.00 3.66 H new ATOM 0 HH12 ARG A 31 147.255 5.212 -20.921 1.00 3.66 H new ATOM 0 HH21 ARG A 31 150.713 5.052 -21.588 1.00 4.36 H new ATOM 0 HH22 ARG A 31 149.088 4.939 -22.270 1.00 4.36 H new ATOM 489 N LEU A 32 147.378 5.830 -15.133 1.00 1.20 N ATOM 490 CA LEU A 32 146.005 5.460 -14.807 1.00 1.15 C ATOM 491 C LEU A 32 145.950 4.073 -14.176 1.00 1.05 C ATOM 492 O LEU A 32 146.571 3.130 -14.668 1.00 1.17 O ATOM 493 CB LEU A 32 145.133 5.497 -16.064 1.00 1.27 C ATOM 494 CG LEU A 32 143.772 6.172 -15.889 1.00 1.69 C ATOM 495 CD1 LEU A 32 143.385 6.926 -17.151 1.00 2.14 C ATOM 496 CD2 LEU A 32 142.710 5.144 -15.532 1.00 2.22 C ATOM 0 H LEU A 32 147.677 5.559 -16.070 1.00 1.20 H new ATOM 0 HA LEU A 32 145.622 6.182 -14.086 1.00 1.15 H new ATOM 0 HB2 LEU A 32 145.680 6.015 -16.852 1.00 1.27 H new ATOM 0 HB3 LEU A 32 144.973 4.475 -16.407 1.00 1.27 H new ATOM 0 HG LEU A 32 143.845 6.888 -15.071 1.00 1.69 H new ATOM 0 HD11 LEU A 32 142.414 7.400 -17.008 1.00 2.14 H new ATOM 0 HD12 LEU A 32 144.134 7.689 -17.363 1.00 2.14 H new ATOM 0 HD13 LEU A 32 143.330 6.230 -17.988 1.00 2.14 H new ATOM 0 HD21 LEU A 32 141.748 5.642 -15.411 1.00 2.22 H new ATOM 0 HD22 LEU A 32 142.638 4.404 -16.329 1.00 2.22 H new ATOM 0 HD23 LEU A 32 142.982 4.649 -14.600 1.00 2.22 H new ATOM 508 N THR A 33 145.203 3.955 -13.083 1.00 1.02 N ATOM 509 CA THR A 33 145.066 2.683 -12.383 1.00 1.04 C ATOM 510 C THR A 33 143.771 2.643 -11.577 1.00 1.15 C ATOM 511 O THR A 33 143.787 2.751 -10.351 1.00 1.33 O ATOM 512 CB THR A 33 146.264 2.457 -11.460 1.00 1.03 C ATOM 513 OG1 THR A 33 146.283 1.125 -10.979 1.00 1.93 O ATOM 514 CG2 THR A 33 146.280 3.378 -10.259 1.00 1.42 C ATOM 0 H THR A 33 144.683 4.725 -12.663 1.00 1.02 H new ATOM 0 HA THR A 33 145.033 1.887 -13.126 1.00 1.04 H new ATOM 0 HB THR A 33 147.141 2.670 -12.071 1.00 1.03 H new ATOM 0 HG1 THR A 33 147.193 0.891 -10.699 1.00 1.93 H new ATOM 0 HG21 THR A 33 147.156 3.163 -9.647 1.00 1.42 H new ATOM 0 HG22 THR A 33 146.317 4.414 -10.595 1.00 1.42 H new ATOM 0 HG23 THR A 33 145.378 3.221 -9.668 1.00 1.42 H new ATOM 522 N PHE A 34 142.649 2.490 -12.273 1.00 1.45 N ATOM 523 CA PHE A 34 141.346 2.438 -11.619 1.00 1.68 C ATOM 524 C PHE A 34 140.489 1.306 -12.178 1.00 1.50 C ATOM 525 O PHE A 34 139.325 1.158 -11.806 1.00 1.69 O ATOM 526 CB PHE A 34 140.618 3.773 -11.784 1.00 2.18 C ATOM 527 CG PHE A 34 140.323 4.461 -10.481 1.00 2.65 C ATOM 528 CD1 PHE A 34 141.175 4.316 -9.398 1.00 3.19 C ATOM 529 CD2 PHE A 34 139.194 5.252 -10.340 1.00 3.11 C ATOM 530 CE1 PHE A 34 140.907 4.947 -8.198 1.00 3.73 C ATOM 531 CE2 PHE A 34 138.921 5.886 -9.143 1.00 3.67 C ATOM 532 CZ PHE A 34 139.778 5.733 -8.071 1.00 3.82 C ATOM 0 H PHE A 34 142.616 2.400 -13.288 1.00 1.45 H new ATOM 0 HA PHE A 34 141.512 2.247 -10.559 1.00 1.68 H new ATOM 0 HB2 PHE A 34 141.223 4.433 -12.405 1.00 2.18 H new ATOM 0 HB3 PHE A 34 139.682 3.604 -12.316 1.00 2.18 H new ATOM 0 HD1 PHE A 34 142.059 3.703 -9.493 1.00 3.19 H new ATOM 0 HD2 PHE A 34 138.520 5.374 -11.175 1.00 3.11 H new ATOM 0 HE1 PHE A 34 141.579 4.826 -7.361 1.00 3.73 H new ATOM 0 HE2 PHE A 34 138.038 6.501 -9.046 1.00 3.67 H new ATOM 0 HZ PHE A 34 139.566 6.227 -7.134 1.00 3.82 H new ATOM 542 N ASN A 35 141.067 0.509 -13.072 1.00 1.29 N ATOM 543 CA ASN A 35 140.347 -0.607 -13.674 1.00 1.24 C ATOM 544 C ASN A 35 139.842 -1.567 -12.601 1.00 1.19 C ATOM 545 O ASN A 35 138.636 -1.755 -12.440 1.00 1.35 O ATOM 546 CB ASN A 35 141.249 -1.353 -14.659 1.00 1.19 C ATOM 547 CG ASN A 35 140.474 -2.313 -15.539 1.00 1.36 C ATOM 548 OD1 ASN A 35 140.819 -3.490 -15.650 1.00 1.84 O ATOM 549 ND2 ASN A 35 139.418 -1.815 -16.172 1.00 1.89 N ATOM 0 H ASN A 35 142.029 0.615 -13.394 1.00 1.29 H new ATOM 0 HA ASN A 35 139.489 -0.206 -14.213 1.00 1.24 H new ATOM 0 HB2 ASN A 35 141.772 -0.631 -15.286 1.00 1.19 H new ATOM 0 HB3 ASN A 35 142.009 -1.905 -14.105 1.00 1.19 H new ATOM 0 HD21 ASN A 35 138.858 -2.414 -16.778 1.00 1.89 H new ATOM 0 HD22 ASN A 35 139.167 -0.834 -16.052 1.00 1.89 H new ATOM 556 N LYS A 36 140.773 -2.168 -11.869 1.00 1.05 N ATOM 557 CA LYS A 36 140.426 -3.107 -10.808 1.00 1.01 C ATOM 558 C LYS A 36 141.436 -3.030 -9.669 1.00 0.95 C ATOM 559 O LYS A 36 142.281 -3.911 -9.514 1.00 1.00 O ATOM 560 CB LYS A 36 140.366 -4.533 -11.359 1.00 1.04 C ATOM 561 CG LYS A 36 138.954 -5.013 -11.652 1.00 1.25 C ATOM 562 CD LYS A 36 138.881 -6.530 -11.707 1.00 1.68 C ATOM 563 CE LYS A 36 137.652 -7.002 -12.467 1.00 2.24 C ATOM 564 NZ LYS A 36 136.919 -8.068 -11.730 1.00 2.56 N ATOM 0 H LYS A 36 141.775 -2.022 -11.991 1.00 1.05 H new ATOM 0 HA LYS A 36 139.444 -2.836 -10.420 1.00 1.01 H new ATOM 0 HB2 LYS A 36 140.956 -4.585 -12.274 1.00 1.04 H new ATOM 0 HB3 LYS A 36 140.830 -5.210 -10.642 1.00 1.04 H new ATOM 0 HG2 LYS A 36 138.276 -4.643 -10.883 1.00 1.25 H new ATOM 0 HG3 LYS A 36 138.617 -4.597 -12.601 1.00 1.25 H new ATOM 0 HD2 LYS A 36 139.779 -6.921 -12.186 1.00 1.68 H new ATOM 0 HD3 LYS A 36 138.860 -6.931 -10.694 1.00 1.68 H new ATOM 0 HE2 LYS A 36 136.986 -6.157 -12.641 1.00 2.24 H new ATOM 0 HE3 LYS A 36 137.952 -7.378 -13.445 1.00 2.24 H new ATOM 0 HZ1 LYS A 36 136.088 -8.363 -12.281 1.00 2.56 H new ATOM 0 HZ2 LYS A 36 137.546 -8.885 -11.586 1.00 2.56 H new ATOM 0 HZ3 LYS A 36 136.610 -7.702 -10.807 1.00 2.56 H new ATOM 578 N VAL A 37 141.346 -1.968 -8.876 1.00 0.90 N ATOM 579 CA VAL A 37 142.255 -1.774 -7.754 1.00 0.85 C ATOM 580 C VAL A 37 141.706 -2.405 -6.479 1.00 0.85 C ATOM 581 O VAL A 37 140.762 -1.893 -5.880 1.00 0.91 O ATOM 582 CB VAL A 37 142.517 -0.278 -7.497 1.00 0.86 C ATOM 583 CG1 VAL A 37 143.707 -0.094 -6.568 1.00 1.04 C ATOM 584 CG2 VAL A 37 142.738 0.458 -8.810 1.00 1.40 C ATOM 0 H VAL A 37 140.653 -1.229 -8.990 1.00 0.90 H new ATOM 0 HA VAL A 37 143.192 -2.262 -8.022 1.00 0.85 H new ATOM 0 HB VAL A 37 141.639 0.147 -7.011 1.00 0.86 H new ATOM 0 HG11 VAL A 37 143.876 0.970 -6.399 1.00 1.04 H new ATOM 0 HG12 VAL A 37 143.505 -0.585 -5.616 1.00 1.04 H new ATOM 0 HG13 VAL A 37 144.595 -0.534 -7.022 1.00 1.04 H new ATOM 0 HG21 VAL A 37 142.922 1.513 -8.609 1.00 1.40 H new ATOM 0 HG22 VAL A 37 143.599 0.032 -9.326 1.00 1.40 H new ATOM 0 HG23 VAL A 37 141.852 0.357 -9.437 1.00 1.40 H new ATOM 594 N ILE A 38 142.308 -3.518 -6.066 1.00 0.84 N ATOM 595 CA ILE A 38 141.880 -4.215 -4.858 1.00 0.87 C ATOM 596 C ILE A 38 142.829 -5.363 -4.515 1.00 0.84 C ATOM 597 O ILE A 38 143.835 -5.164 -3.832 1.00 0.76 O ATOM 598 CB ILE A 38 140.445 -4.765 -4.995 1.00 1.00 C ATOM 599 CG1 ILE A 38 140.063 -4.904 -6.471 1.00 1.38 C ATOM 600 CG2 ILE A 38 139.457 -3.863 -4.270 1.00 1.19 C ATOM 601 CD1 ILE A 38 138.937 -5.886 -6.713 1.00 1.55 C ATOM 0 H ILE A 38 143.092 -3.955 -6.550 1.00 0.84 H new ATOM 0 HA ILE A 38 141.898 -3.482 -4.052 1.00 0.87 H new ATOM 0 HB ILE A 38 140.409 -5.753 -4.536 1.00 1.00 H new ATOM 0 HG12 ILE A 38 139.771 -3.927 -6.856 1.00 1.38 H new ATOM 0 HG13 ILE A 38 140.939 -5.221 -7.037 1.00 1.38 H new ATOM 0 HG21 ILE A 38 138.450 -4.266 -4.377 1.00 1.19 H new ATOM 0 HG22 ILE A 38 139.718 -3.814 -3.213 1.00 1.19 H new ATOM 0 HG23 ILE A 38 139.495 -2.862 -4.700 1.00 1.19 H new ATOM 0 HD11 ILE A 38 138.719 -5.934 -7.780 1.00 1.55 H new ATOM 0 HD12 ILE A 38 139.233 -6.873 -6.358 1.00 1.55 H new ATOM 0 HD13 ILE A 38 138.047 -5.559 -6.175 1.00 1.55 H new ATOM 613 N LYS A 39 142.506 -6.564 -4.991 1.00 0.95 N ATOM 614 CA LYS A 39 143.332 -7.739 -4.732 1.00 0.99 C ATOM 615 C LYS A 39 143.525 -7.957 -3.234 1.00 0.93 C ATOM 616 O LYS A 39 143.269 -7.065 -2.425 1.00 0.84 O ATOM 617 CB LYS A 39 144.691 -7.593 -5.417 1.00 1.02 C ATOM 618 CG LYS A 39 144.766 -8.280 -6.770 1.00 1.30 C ATOM 619 CD LYS A 39 143.489 -8.079 -7.570 1.00 1.25 C ATOM 620 CE LYS A 39 143.553 -8.794 -8.910 1.00 1.45 C ATOM 621 NZ LYS A 39 143.122 -10.215 -8.803 1.00 2.18 N ATOM 0 H LYS A 39 141.678 -6.748 -5.558 1.00 0.95 H new ATOM 0 HA LYS A 39 142.817 -8.608 -5.140 1.00 0.99 H new ATOM 0 HB2 LYS A 39 144.913 -6.533 -5.544 1.00 1.02 H new ATOM 0 HB3 LYS A 39 145.463 -8.004 -4.766 1.00 1.02 H new ATOM 0 HG2 LYS A 39 145.614 -7.888 -7.332 1.00 1.30 H new ATOM 0 HG3 LYS A 39 144.944 -9.346 -6.628 1.00 1.30 H new ATOM 0 HD2 LYS A 39 142.638 -8.450 -6.999 1.00 1.25 H new ATOM 0 HD3 LYS A 39 143.324 -7.014 -7.732 1.00 1.25 H new ATOM 0 HE2 LYS A 39 142.918 -8.275 -9.629 1.00 1.45 H new ATOM 0 HE3 LYS A 39 144.572 -8.752 -9.296 1.00 1.45 H new ATOM 0 HZ1 LYS A 39 143.180 -10.667 -9.738 1.00 2.18 H new ATOM 0 HZ2 LYS A 39 143.743 -10.717 -8.137 1.00 2.18 H new ATOM 0 HZ3 LYS A 39 142.141 -10.255 -8.460 1.00 2.18 H new ATOM 635 N PRO A 40 143.981 -9.159 -2.850 1.00 1.01 N ATOM 636 CA PRO A 40 144.212 -9.513 -1.445 1.00 1.01 C ATOM 637 C PRO A 40 145.114 -8.510 -0.734 1.00 0.91 C ATOM 638 O PRO A 40 146.326 -8.706 -0.643 1.00 1.36 O ATOM 639 CB PRO A 40 144.894 -10.880 -1.528 1.00 1.16 C ATOM 640 CG PRO A 40 144.459 -11.444 -2.835 1.00 1.29 C ATOM 641 CD PRO A 40 144.304 -10.270 -3.761 1.00 1.16 C ATOM 0 HA PRO A 40 143.286 -9.519 -0.871 1.00 1.01 H new ATOM 0 HB2 PRO A 40 145.979 -10.784 -1.480 1.00 1.16 H new ATOM 0 HB3 PRO A 40 144.594 -11.523 -0.700 1.00 1.16 H new ATOM 0 HG2 PRO A 40 145.195 -12.150 -3.220 1.00 1.29 H new ATOM 0 HG3 PRO A 40 143.519 -11.987 -2.733 1.00 1.29 H new ATOM 0 HD2 PRO A 40 145.218 -10.077 -4.322 1.00 1.16 H new ATOM 0 HD3 PRO A 40 143.511 -10.435 -4.491 1.00 1.16 H new ATOM 649 N CYS A 41 144.515 -7.437 -0.230 1.00 0.96 N ATOM 650 CA CYS A 41 145.262 -6.402 0.475 1.00 0.85 C ATOM 651 C CYS A 41 145.630 -6.856 1.885 1.00 0.78 C ATOM 652 O CYS A 41 145.473 -8.027 2.231 1.00 0.85 O ATOM 653 CB CYS A 41 144.445 -5.112 0.541 1.00 0.81 C ATOM 654 SG CYS A 41 142.841 -5.296 1.355 1.00 1.61 S ATOM 0 H CYS A 41 143.513 -7.261 -0.297 1.00 0.96 H new ATOM 0 HA CYS A 41 146.183 -6.215 -0.078 1.00 0.85 H new ATOM 0 HB2 CYS A 41 145.024 -4.354 1.069 1.00 0.81 H new ATOM 0 HB3 CYS A 41 144.286 -4.743 -0.472 1.00 0.81 H new ATOM 0 HG CYS A 41 142.751 -4.446 2.335 1.00 1.61 H new ATOM 660 N MET A 42 146.118 -5.921 2.695 1.00 0.71 N ATOM 661 CA MET A 42 146.507 -6.225 4.068 1.00 0.72 C ATOM 662 C MET A 42 147.116 -5.002 4.748 1.00 0.65 C ATOM 663 O MET A 42 147.621 -4.097 4.084 1.00 0.81 O ATOM 664 CB MET A 42 147.505 -7.385 4.092 1.00 0.92 C ATOM 665 CG MET A 42 147.366 -8.281 5.311 1.00 1.25 C ATOM 666 SD MET A 42 148.778 -9.382 5.528 1.00 1.96 S ATOM 667 CE MET A 42 148.165 -10.875 4.751 1.00 2.02 C ATOM 0 H MET A 42 146.253 -4.947 2.424 1.00 0.71 H new ATOM 0 HA MET A 42 145.610 -6.513 4.616 1.00 0.72 H new ATOM 0 HB2 MET A 42 147.372 -7.986 3.192 1.00 0.92 H new ATOM 0 HB3 MET A 42 148.518 -6.983 4.060 1.00 0.92 H new ATOM 0 HG2 MET A 42 147.253 -7.662 6.201 1.00 1.25 H new ATOM 0 HG3 MET A 42 146.457 -8.876 5.218 1.00 1.25 H new ATOM 0 HE1 MET A 42 148.927 -11.652 4.805 1.00 2.02 H new ATOM 0 HE2 MET A 42 147.266 -11.212 5.268 1.00 2.02 H new ATOM 0 HE3 MET A 42 147.928 -10.671 3.707 1.00 2.02 H new ATOM 677 N LYS A 43 147.066 -4.984 6.076 1.00 0.68 N ATOM 678 CA LYS A 43 147.613 -3.874 6.851 1.00 0.70 C ATOM 679 C LYS A 43 148.165 -4.367 8.186 1.00 0.89 C ATOM 680 O LYS A 43 147.659 -5.332 8.758 1.00 1.14 O ATOM 681 CB LYS A 43 146.537 -2.813 7.091 1.00 0.79 C ATOM 682 CG LYS A 43 146.872 -1.852 8.219 1.00 1.10 C ATOM 683 CD LYS A 43 146.086 -2.176 9.479 1.00 1.13 C ATOM 684 CE LYS A 43 145.496 -0.923 10.105 1.00 1.17 C ATOM 685 NZ LYS A 43 146.222 -0.524 11.342 1.00 1.30 N ATOM 0 H LYS A 43 146.652 -5.726 6.640 1.00 0.68 H new ATOM 0 HA LYS A 43 148.429 -3.430 6.281 1.00 0.70 H new ATOM 0 HB2 LYS A 43 146.388 -2.245 6.173 1.00 0.79 H new ATOM 0 HB3 LYS A 43 145.593 -3.309 7.316 1.00 0.79 H new ATOM 0 HG2 LYS A 43 147.940 -1.899 8.433 1.00 1.10 H new ATOM 0 HG3 LYS A 43 146.654 -0.831 7.905 1.00 1.10 H new ATOM 0 HD2 LYS A 43 145.285 -2.876 9.240 1.00 1.13 H new ATOM 0 HD3 LYS A 43 146.738 -2.671 10.199 1.00 1.13 H new ATOM 0 HE2 LYS A 43 145.531 -0.106 9.384 1.00 1.17 H new ATOM 0 HE3 LYS A 43 144.446 -1.095 10.340 1.00 1.17 H new ATOM 0 HZ1 LYS A 43 145.593 0.043 11.946 1.00 1.30 H new ATOM 0 HZ2 LYS A 43 146.522 -1.375 11.858 1.00 1.30 H new ATOM 0 HZ3 LYS A 43 147.058 0.039 11.087 1.00 1.30 H new ATOM 699 N LYS A 44 149.205 -3.700 8.677 1.00 0.94 N ATOM 700 CA LYS A 44 149.822 -4.076 9.945 1.00 1.15 C ATOM 701 C LYS A 44 150.251 -2.842 10.735 1.00 1.11 C ATOM 702 O LYS A 44 151.146 -2.107 10.319 1.00 1.34 O ATOM 703 CB LYS A 44 151.030 -4.982 9.698 1.00 1.32 C ATOM 704 CG LYS A 44 150.677 -6.457 9.614 1.00 1.78 C ATOM 705 CD LYS A 44 151.753 -7.247 8.886 1.00 2.35 C ATOM 706 CE LYS A 44 153.094 -7.143 9.593 1.00 2.93 C ATOM 707 NZ LYS A 44 154.021 -8.237 9.192 1.00 3.69 N ATOM 0 H LYS A 44 149.637 -2.898 8.218 1.00 0.94 H new ATOM 0 HA LYS A 44 149.081 -4.618 10.532 1.00 1.15 H new ATOM 0 HB2 LYS A 44 151.516 -4.680 8.770 1.00 1.32 H new ATOM 0 HB3 LYS A 44 151.754 -4.835 10.500 1.00 1.32 H new ATOM 0 HG2 LYS A 44 150.546 -6.859 10.619 1.00 1.78 H new ATOM 0 HG3 LYS A 44 149.725 -6.575 9.097 1.00 1.78 H new ATOM 0 HD2 LYS A 44 151.456 -8.294 8.820 1.00 2.35 H new ATOM 0 HD3 LYS A 44 151.849 -6.878 7.865 1.00 2.35 H new ATOM 0 HE2 LYS A 44 153.550 -6.179 9.366 1.00 2.93 H new ATOM 0 HE3 LYS A 44 152.939 -7.176 10.671 1.00 2.93 H new ATOM 0 HZ1 LYS A 44 154.924 -8.129 9.697 1.00 3.69 H new ATOM 0 HZ2 LYS A 44 153.598 -9.156 9.432 1.00 3.69 H new ATOM 0 HZ3 LYS A 44 154.190 -8.191 8.167 1.00 3.69 H new ATOM 721 N THR A 45 149.604 -2.622 11.876 1.00 1.30 N ATOM 722 CA THR A 45 149.913 -1.481 12.723 1.00 1.31 C ATOM 723 C THR A 45 151.258 -1.663 13.422 1.00 1.42 C ATOM 724 O THR A 45 151.792 -2.771 13.480 1.00 1.54 O ATOM 725 CB THR A 45 148.809 -1.277 13.762 1.00 1.41 C ATOM 726 OG1 THR A 45 147.531 -1.449 13.176 1.00 1.86 O ATOM 727 CG2 THR A 45 148.839 0.092 14.406 1.00 1.82 C ATOM 0 H THR A 45 148.861 -3.222 12.233 1.00 1.30 H new ATOM 0 HA THR A 45 149.974 -0.598 12.087 1.00 1.31 H new ATOM 0 HB THR A 45 148.994 -2.026 14.532 1.00 1.41 H new ATOM 0 HG1 THR A 45 146.838 -1.316 13.857 1.00 1.86 H new ATOM 0 HG21 THR A 45 148.030 0.170 15.132 1.00 1.82 H new ATOM 0 HG22 THR A 45 149.795 0.236 14.910 1.00 1.82 H new ATOM 0 HG23 THR A 45 148.714 0.857 13.640 1.00 1.82 H new ATOM 735 N ILE A 46 151.801 -0.569 13.951 1.00 1.46 N ATOM 736 CA ILE A 46 153.085 -0.614 14.645 1.00 1.63 C ATOM 737 C ILE A 46 153.121 0.364 15.817 1.00 1.60 C ATOM 738 O ILE A 46 153.536 1.514 15.668 1.00 1.54 O ATOM 739 CB ILE A 46 154.250 -0.292 13.691 1.00 1.82 C ATOM 740 CG1 ILE A 46 154.278 -1.289 12.532 1.00 1.66 C ATOM 741 CG2 ILE A 46 155.571 -0.310 14.444 1.00 2.27 C ATOM 742 CD1 ILE A 46 153.377 -0.903 11.379 1.00 1.54 C ATOM 0 H ILE A 46 151.373 0.356 13.913 1.00 1.46 H new ATOM 0 HA ILE A 46 153.199 -1.630 15.023 1.00 1.63 H new ATOM 0 HB ILE A 46 154.101 0.707 13.283 1.00 1.82 H new ATOM 0 HG12 ILE A 46 155.301 -1.381 12.168 1.00 1.66 H new ATOM 0 HG13 ILE A 46 153.981 -2.271 12.901 1.00 1.66 H new ATOM 0 HG21 ILE A 46 156.385 -0.081 13.756 1.00 2.27 H new ATOM 0 HG22 ILE A 46 155.547 0.435 15.239 1.00 2.27 H new ATOM 0 HG23 ILE A 46 155.729 -1.298 14.877 1.00 2.27 H new ATOM 0 HD11 ILE A 46 153.448 -1.656 10.594 1.00 1.54 H new ATOM 0 HD12 ILE A 46 152.346 -0.839 11.728 1.00 1.54 H new ATOM 0 HD13 ILE A 46 153.687 0.064 10.983 1.00 1.54 H new ATOM 754 N TYR A 47 152.690 -0.098 16.985 1.00 1.71 N ATOM 755 CA TYR A 47 152.680 0.743 18.177 1.00 1.76 C ATOM 756 C TYR A 47 153.867 0.427 19.080 1.00 1.90 C ATOM 757 O TYR A 47 154.278 -0.727 19.203 1.00 2.07 O ATOM 758 CB TYR A 47 151.372 0.557 18.948 1.00 1.86 C ATOM 759 CG TYR A 47 151.191 -0.836 19.508 1.00 2.03 C ATOM 760 CD1 TYR A 47 151.824 -1.220 20.684 1.00 2.34 C ATOM 761 CD2 TYR A 47 150.387 -1.766 18.862 1.00 2.51 C ATOM 762 CE1 TYR A 47 151.662 -2.492 21.199 1.00 2.52 C ATOM 763 CE2 TYR A 47 150.219 -3.040 19.371 1.00 2.71 C ATOM 764 CZ TYR A 47 150.858 -3.398 20.539 1.00 2.44 C ATOM 765 OH TYR A 47 150.693 -4.666 21.049 1.00 2.68 O ATOM 0 H TYR A 47 152.344 -1.046 17.132 1.00 1.71 H new ATOM 0 HA TYR A 47 152.760 1.782 17.857 1.00 1.76 H new ATOM 0 HB2 TYR A 47 151.337 1.276 19.767 1.00 1.86 H new ATOM 0 HB3 TYR A 47 150.535 0.785 18.288 1.00 1.86 H new ATOM 0 HD1 TYR A 47 152.453 -0.513 21.204 1.00 2.34 H new ATOM 0 HD2 TYR A 47 149.885 -1.489 17.947 1.00 2.51 H new ATOM 0 HE1 TYR A 47 152.162 -2.775 22.113 1.00 2.52 H new ATOM 0 HE2 TYR A 47 149.590 -3.751 18.856 1.00 2.71 H new ATOM 0 HH TYR A 47 150.096 -5.178 20.465 1.00 2.68 H new ATOM 775 N GLU A 48 154.413 1.463 19.709 1.00 1.89 N ATOM 776 CA GLU A 48 155.554 1.302 20.602 1.00 2.03 C ATOM 777 C GLU A 48 155.136 0.632 21.904 1.00 2.29 C ATOM 778 O GLU A 48 155.148 -0.593 22.019 1.00 2.42 O ATOM 779 CB GLU A 48 156.202 2.659 20.886 1.00 1.92 C ATOM 780 CG GLU A 48 157.177 2.635 22.052 1.00 2.04 C ATOM 781 CD GLU A 48 158.545 3.173 21.678 1.00 2.13 C ATOM 782 OE1 GLU A 48 158.747 3.508 20.492 1.00 2.47 O ATOM 783 OE2 GLU A 48 159.413 3.258 22.572 1.00 2.55 O ATOM 0 H GLU A 48 154.083 2.424 19.616 1.00 1.89 H new ATOM 0 HA GLU A 48 156.284 0.660 20.109 1.00 2.03 H new ATOM 0 HB2 GLU A 48 156.726 2.996 19.992 1.00 1.92 H new ATOM 0 HB3 GLU A 48 155.420 3.390 21.092 1.00 1.92 H new ATOM 0 HG2 GLU A 48 156.770 3.225 22.873 1.00 2.04 H new ATOM 0 HG3 GLU A 48 157.279 1.612 22.415 1.00 2.04 H new ATOM 790 N ASN A 49 154.767 1.446 22.880 1.00 2.40 N ATOM 791 CA ASN A 49 154.341 0.943 24.180 1.00 2.70 C ATOM 792 C ASN A 49 153.337 1.892 24.826 1.00 2.79 C ATOM 793 O ASN A 49 152.309 1.464 25.350 1.00 2.93 O ATOM 794 CB ASN A 49 155.549 0.756 25.100 1.00 2.93 C ATOM 795 CG ASN A 49 155.875 -0.706 25.336 1.00 3.30 C ATOM 796 OD1 ASN A 49 156.347 -1.084 26.408 1.00 3.97 O ATOM 797 ND2 ASN A 49 155.624 -1.538 24.331 1.00 3.06 N ATOM 0 H ASN A 49 154.753 2.463 22.798 1.00 2.40 H new ATOM 0 HA ASN A 49 153.857 -0.022 24.028 1.00 2.70 H new ATOM 0 HB2 ASN A 49 156.415 1.253 24.663 1.00 2.93 H new ATOM 0 HB3 ASN A 49 155.352 1.241 26.056 1.00 2.93 H new ATOM 0 HD21 ASN A 49 155.823 -2.533 24.431 1.00 3.06 H new ATOM 0 HD22 ASN A 49 155.232 -1.181 23.459 1.00 3.06 H new ATOM 804 N GLU A 50 153.643 3.185 24.780 1.00 2.75 N ATOM 805 CA GLU A 50 152.768 4.198 25.357 1.00 2.87 C ATOM 806 C GLU A 50 152.391 5.243 24.313 1.00 2.69 C ATOM 807 O GLU A 50 152.135 6.401 24.642 1.00 2.77 O ATOM 808 CB GLU A 50 153.450 4.873 26.548 1.00 3.04 C ATOM 809 CG GLU A 50 152.477 5.519 27.521 1.00 2.98 C ATOM 810 CD GLU A 50 153.177 6.213 28.672 1.00 3.38 C ATOM 811 OE1 GLU A 50 154.395 5.994 28.846 1.00 3.71 O ATOM 812 OE2 GLU A 50 152.509 6.976 29.401 1.00 3.85 O ATOM 0 H GLU A 50 154.490 3.555 24.349 1.00 2.75 H new ATOM 0 HA GLU A 50 151.858 3.706 25.701 1.00 2.87 H new ATOM 0 HB2 GLU A 50 154.047 4.133 27.081 1.00 3.04 H new ATOM 0 HB3 GLU A 50 154.139 5.632 26.179 1.00 3.04 H new ATOM 0 HG2 GLU A 50 151.861 6.242 26.986 1.00 2.98 H new ATOM 0 HG3 GLU A 50 151.805 4.757 27.916 1.00 2.98 H new ATOM 819 N ARG A 51 152.360 4.825 23.051 1.00 2.48 N ATOM 820 CA ARG A 51 152.016 5.724 21.956 1.00 2.33 C ATOM 821 C ARG A 51 153.242 6.498 21.482 1.00 2.20 C ATOM 822 O ARG A 51 153.167 7.697 21.216 1.00 2.29 O ATOM 823 CB ARG A 51 150.921 6.698 22.392 1.00 2.56 C ATOM 824 CG ARG A 51 149.909 7.005 21.300 1.00 2.37 C ATOM 825 CD ARG A 51 148.914 8.066 21.745 1.00 2.72 C ATOM 826 NE ARG A 51 148.732 9.103 20.733 1.00 2.74 N ATOM 827 CZ ARG A 51 147.808 10.055 20.813 1.00 3.24 C ATOM 828 NH1 ARG A 51 146.987 10.099 21.854 1.00 3.74 N ATOM 829 NH2 ARG A 51 147.704 10.964 19.853 1.00 3.79 N ATOM 0 H ARG A 51 152.569 3.869 22.762 1.00 2.48 H new ATOM 0 HA ARG A 51 151.646 5.121 21.127 1.00 2.33 H new ATOM 0 HB2 ARG A 51 150.398 6.282 23.253 1.00 2.56 H new ATOM 0 HB3 ARG A 51 151.384 7.629 22.719 1.00 2.56 H new ATOM 0 HG2 ARG A 51 150.430 7.346 20.405 1.00 2.37 H new ATOM 0 HG3 ARG A 51 149.375 6.094 21.031 1.00 2.37 H new ATOM 0 HD2 ARG A 51 147.954 7.596 21.959 1.00 2.72 H new ATOM 0 HD3 ARG A 51 149.260 8.521 22.673 1.00 2.72 H new ATOM 0 HE ARG A 51 149.348 9.096 19.920 1.00 2.74 H new ATOM 0 HH11 ARG A 51 147.064 9.402 22.594 1.00 3.74 H new ATOM 0 HH12 ARG A 51 146.278 10.830 21.914 1.00 3.74 H new ATOM 0 HH21 ARG A 51 148.334 10.933 19.051 1.00 3.79 H new ATOM 0 HH22 ARG A 51 146.994 11.694 19.916 1.00 3.79 H new ATOM 843 N GLU A 52 154.372 5.804 21.381 1.00 2.05 N ATOM 844 CA GLU A 52 155.614 6.428 20.941 1.00 1.97 C ATOM 845 C GLU A 52 155.759 6.361 19.424 1.00 1.82 C ATOM 846 O GLU A 52 156.661 6.971 18.850 1.00 1.87 O ATOM 847 CB GLU A 52 156.813 5.754 21.610 1.00 2.05 C ATOM 848 CG GLU A 52 157.784 6.733 22.249 1.00 2.28 C ATOM 849 CD GLU A 52 159.224 6.267 22.161 1.00 2.56 C ATOM 850 OE1 GLU A 52 159.711 6.053 21.031 1.00 2.92 O ATOM 851 OE2 GLU A 52 159.866 6.117 23.223 1.00 3.07 O ATOM 0 H GLU A 52 154.452 4.811 21.598 1.00 2.05 H new ATOM 0 HA GLU A 52 155.583 7.477 21.235 1.00 1.97 H new ATOM 0 HB2 GLU A 52 156.452 5.064 22.372 1.00 2.05 H new ATOM 0 HB3 GLU A 52 157.346 5.159 20.868 1.00 2.05 H new ATOM 0 HG2 GLU A 52 157.690 7.703 21.761 1.00 2.28 H new ATOM 0 HG3 GLU A 52 157.515 6.875 23.296 1.00 2.28 H new ATOM 858 N ILE A 53 154.868 5.616 18.779 1.00 1.69 N ATOM 859 CA ILE A 53 154.900 5.472 17.329 1.00 1.60 C ATOM 860 C ILE A 53 153.494 5.310 16.763 1.00 1.58 C ATOM 861 O ILE A 53 152.921 6.252 16.214 1.00 1.64 O ATOM 862 CB ILE A 53 155.810 4.289 16.899 1.00 1.63 C ATOM 863 CG1 ILE A 53 155.502 3.826 15.468 1.00 1.53 C ATOM 864 CG2 ILE A 53 155.704 3.123 17.872 1.00 2.05 C ATOM 865 CD1 ILE A 53 156.112 2.484 15.130 1.00 1.63 C ATOM 0 H ILE A 53 154.115 5.103 19.238 1.00 1.69 H new ATOM 0 HA ILE A 53 155.326 6.387 16.917 1.00 1.60 H new ATOM 0 HB ILE A 53 156.836 4.656 16.918 1.00 1.63 H new ATOM 0 HG12 ILE A 53 154.421 3.770 15.336 1.00 1.53 H new ATOM 0 HG13 ILE A 53 155.871 4.573 14.765 1.00 1.53 H new ATOM 0 HG21 ILE A 53 156.354 2.313 17.541 1.00 2.05 H new ATOM 0 HG22 ILE A 53 156.009 3.450 18.866 1.00 2.05 H new ATOM 0 HG23 ILE A 53 154.673 2.771 17.907 1.00 2.05 H new ATOM 0 HD11 ILE A 53 155.856 2.216 14.105 1.00 1.63 H new ATOM 0 HD12 ILE A 53 157.196 2.541 15.230 1.00 1.63 H new ATOM 0 HD13 ILE A 53 155.724 1.726 15.811 1.00 1.63 H new ATOM 877 N LYS A 54 152.948 4.116 16.900 1.00 1.58 N ATOM 878 CA LYS A 54 151.609 3.818 16.406 1.00 1.56 C ATOM 879 C LYS A 54 151.548 3.936 14.887 1.00 1.45 C ATOM 880 O LYS A 54 150.719 4.667 14.345 1.00 1.49 O ATOM 881 CB LYS A 54 150.586 4.759 17.043 1.00 1.70 C ATOM 882 CG LYS A 54 149.541 4.042 17.883 1.00 1.79 C ATOM 883 CD LYS A 54 149.105 4.886 19.069 1.00 2.13 C ATOM 884 CE LYS A 54 147.684 5.398 18.896 1.00 2.09 C ATOM 885 NZ LYS A 54 147.364 6.488 19.859 1.00 2.33 N ATOM 0 H LYS A 54 153.412 3.329 17.352 1.00 1.58 H new ATOM 0 HA LYS A 54 151.369 2.791 16.682 1.00 1.56 H new ATOM 0 HB2 LYS A 54 151.110 5.482 17.669 1.00 1.70 H new ATOM 0 HB3 LYS A 54 150.084 5.323 16.257 1.00 1.70 H new ATOM 0 HG2 LYS A 54 148.675 3.806 17.265 1.00 1.79 H new ATOM 0 HG3 LYS A 54 149.946 3.095 18.239 1.00 1.79 H new ATOM 0 HD2 LYS A 54 149.171 4.294 19.982 1.00 2.13 H new ATOM 0 HD3 LYS A 54 149.785 5.730 19.186 1.00 2.13 H new ATOM 0 HE2 LYS A 54 147.551 5.763 17.878 1.00 2.09 H new ATOM 0 HE3 LYS A 54 146.983 4.575 19.033 1.00 2.09 H new ATOM 0 HZ1 LYS A 54 146.381 6.797 19.719 1.00 2.33 H new ATOM 0 HZ2 LYS A 54 147.482 6.138 20.831 1.00 2.33 H new ATOM 0 HZ3 LYS A 54 148.005 7.291 19.700 1.00 2.33 H new ATOM 899 N GLY A 55 152.428 3.211 14.204 1.00 1.39 N ATOM 900 CA GLY A 55 152.450 3.250 12.755 1.00 1.33 C ATOM 901 C GLY A 55 151.499 2.249 12.139 1.00 1.32 C ATOM 902 O GLY A 55 150.830 1.499 12.850 1.00 1.72 O ATOM 0 H GLY A 55 153.125 2.598 14.628 1.00 1.39 H new ATOM 0 HA2 GLY A 55 152.188 4.252 12.417 1.00 1.33 H new ATOM 0 HA3 GLY A 55 153.462 3.050 12.404 1.00 1.33 H new ATOM 906 N TYR A 56 151.435 2.237 10.814 1.00 1.03 N ATOM 907 CA TYR A 56 150.554 1.320 10.108 1.00 0.99 C ATOM 908 C TYR A 56 151.023 1.099 8.676 1.00 0.82 C ATOM 909 O TYR A 56 151.140 2.044 7.896 1.00 0.79 O ATOM 910 CB TYR A 56 149.123 1.856 10.109 1.00 1.07 C ATOM 911 CG TYR A 56 148.937 3.088 9.251 1.00 1.09 C ATOM 912 CD1 TYR A 56 148.679 2.977 7.891 1.00 1.71 C ATOM 913 CD2 TYR A 56 149.021 4.361 9.802 1.00 1.46 C ATOM 914 CE1 TYR A 56 148.509 4.100 7.103 1.00 1.80 C ATOM 915 CE2 TYR A 56 148.851 5.488 9.021 1.00 1.52 C ATOM 916 CZ TYR A 56 148.596 5.353 7.673 1.00 1.28 C ATOM 917 OH TYR A 56 148.428 6.473 6.892 1.00 1.44 O ATOM 0 H TYR A 56 151.981 2.850 10.209 1.00 1.03 H new ATOM 0 HA TYR A 56 150.580 0.362 10.628 1.00 0.99 H new ATOM 0 HB2 TYR A 56 148.451 1.074 9.757 1.00 1.07 H new ATOM 0 HB3 TYR A 56 148.832 2.089 11.133 1.00 1.07 H new ATOM 0 HD1 TYR A 56 148.610 1.997 7.442 1.00 1.71 H new ATOM 0 HD2 TYR A 56 149.222 4.471 10.857 1.00 1.46 H new ATOM 0 HE1 TYR A 56 148.309 3.997 6.047 1.00 1.80 H new ATOM 0 HE2 TYR A 56 148.918 6.470 9.465 1.00 1.52 H new ATOM 0 HH TYR A 56 148.519 7.276 7.447 1.00 1.44 H new ATOM 927 N GLU A 57 151.281 -0.158 8.334 1.00 0.78 N ATOM 928 CA GLU A 57 151.724 -0.507 6.990 1.00 0.68 C ATOM 929 C GLU A 57 150.533 -0.935 6.141 1.00 0.62 C ATOM 930 O GLU A 57 149.836 -1.894 6.473 1.00 0.82 O ATOM 931 CB GLU A 57 152.766 -1.627 7.036 1.00 0.82 C ATOM 932 CG GLU A 57 153.238 -1.969 8.440 1.00 1.50 C ATOM 933 CD GLU A 57 154.639 -2.548 8.460 1.00 1.91 C ATOM 934 OE1 GLU A 57 155.312 -2.509 7.409 1.00 2.68 O ATOM 935 OE2 GLU A 57 155.063 -3.040 9.527 1.00 2.08 O ATOM 0 H GLU A 57 151.191 -0.952 8.968 1.00 0.78 H new ATOM 0 HA GLU A 57 152.184 0.373 6.540 1.00 0.68 H new ATOM 0 HB2 GLU A 57 152.345 -2.521 6.576 1.00 0.82 H new ATOM 0 HB3 GLU A 57 153.627 -1.335 6.435 1.00 0.82 H new ATOM 0 HG2 GLU A 57 153.211 -1.071 9.057 1.00 1.50 H new ATOM 0 HG3 GLU A 57 152.547 -2.684 8.887 1.00 1.50 H new ATOM 942 N TYR A 58 150.293 -0.212 5.054 1.00 0.42 N ATOM 943 CA TYR A 58 149.172 -0.515 4.171 1.00 0.38 C ATOM 944 C TYR A 58 149.646 -1.090 2.840 1.00 0.45 C ATOM 945 O TYR A 58 150.153 -0.366 1.984 1.00 0.74 O ATOM 946 CB TYR A 58 148.344 0.747 3.923 1.00 0.40 C ATOM 947 CG TYR A 58 146.859 0.551 4.129 1.00 0.36 C ATOM 948 CD1 TYR A 58 146.365 0.022 5.316 1.00 1.28 C ATOM 949 CD2 TYR A 58 145.950 0.898 3.138 1.00 1.23 C ATOM 950 CE1 TYR A 58 145.008 -0.156 5.507 1.00 1.33 C ATOM 951 CE2 TYR A 58 144.592 0.724 3.322 1.00 1.29 C ATOM 952 CZ TYR A 58 144.126 0.197 4.507 1.00 0.63 C ATOM 953 OH TYR A 58 142.775 0.023 4.694 1.00 0.82 O ATOM 0 H TYR A 58 150.857 0.586 4.763 1.00 0.42 H new ATOM 0 HA TYR A 58 148.555 -1.267 4.663 1.00 0.38 H new ATOM 0 HB2 TYR A 58 148.693 1.536 4.589 1.00 0.40 H new ATOM 0 HB3 TYR A 58 148.518 1.090 2.903 1.00 0.40 H new ATOM 0 HD1 TYR A 58 147.053 -0.254 6.101 1.00 1.28 H new ATOM 0 HD2 TYR A 58 146.311 1.311 2.208 1.00 1.23 H new ATOM 0 HE1 TYR A 58 144.640 -0.569 6.434 1.00 1.33 H new ATOM 0 HE2 TYR A 58 143.899 1.000 2.541 1.00 1.29 H new ATOM 0 HH TYR A 58 142.566 -0.935 4.701 1.00 0.82 H new ATOM 963 N GLN A 59 149.460 -2.394 2.668 1.00 0.50 N ATOM 964 CA GLN A 59 149.850 -3.069 1.436 1.00 0.58 C ATOM 965 C GLN A 59 148.618 -3.359 0.586 1.00 0.62 C ATOM 966 O GLN A 59 147.768 -4.164 0.967 1.00 0.92 O ATOM 967 CB GLN A 59 150.590 -4.371 1.750 1.00 0.84 C ATOM 968 CG GLN A 59 152.103 -4.223 1.763 1.00 1.13 C ATOM 969 CD GLN A 59 152.813 -5.527 2.067 1.00 1.39 C ATOM 970 OE1 GLN A 59 152.293 -6.609 1.793 1.00 1.67 O ATOM 971 NE2 GLN A 59 154.008 -5.431 2.637 1.00 2.16 N ATOM 0 H GLN A 59 149.041 -3.006 3.368 1.00 0.50 H new ATOM 0 HA GLN A 59 150.520 -2.415 0.878 1.00 0.58 H new ATOM 0 HB2 GLN A 59 150.261 -4.741 2.721 1.00 0.84 H new ATOM 0 HB3 GLN A 59 150.313 -5.124 1.012 1.00 0.84 H new ATOM 0 HG2 GLN A 59 152.436 -3.849 0.795 1.00 1.13 H new ATOM 0 HG3 GLN A 59 152.385 -3.478 2.507 1.00 1.13 H new ATOM 0 HE21 GLN A 59 154.401 -4.513 2.846 1.00 2.16 H new ATOM 0 HE22 GLN A 59 154.533 -6.275 2.865 1.00 2.16 H new ATOM 980 N LEU A 60 148.516 -2.690 -0.558 1.00 0.47 N ATOM 981 CA LEU A 60 147.378 -2.873 -1.441 1.00 0.63 C ATOM 982 C LEU A 60 147.807 -3.369 -2.818 1.00 0.64 C ATOM 983 O LEU A 60 148.896 -3.050 -3.296 1.00 0.64 O ATOM 984 CB LEU A 60 146.598 -1.563 -1.577 1.00 0.71 C ATOM 985 CG LEU A 60 145.088 -1.681 -1.367 1.00 1.03 C ATOM 986 CD1 LEU A 60 144.494 -2.705 -2.320 1.00 1.36 C ATOM 987 CD2 LEU A 60 144.778 -2.047 0.077 1.00 1.79 C ATOM 0 H LEU A 60 149.208 -2.019 -0.892 1.00 0.47 H new ATOM 0 HA LEU A 60 146.735 -3.633 -0.997 1.00 0.63 H new ATOM 0 HB2 LEU A 60 146.994 -0.846 -0.858 1.00 0.71 H new ATOM 0 HB3 LEU A 60 146.780 -1.152 -2.570 1.00 0.71 H new ATOM 0 HG LEU A 60 144.634 -0.713 -1.580 1.00 1.03 H new ATOM 0 HD11 LEU A 60 143.419 -2.775 -2.155 1.00 1.36 H new ATOM 0 HD12 LEU A 60 144.684 -2.398 -3.348 1.00 1.36 H new ATOM 0 HD13 LEU A 60 144.952 -3.678 -2.141 1.00 1.36 H new ATOM 0 HD21 LEU A 60 143.699 -2.127 0.209 1.00 1.79 H new ATOM 0 HD22 LEU A 60 145.245 -3.002 0.318 1.00 1.79 H new ATOM 0 HD23 LEU A 60 145.168 -1.275 0.740 1.00 1.79 H new ATOM 999 N TYR A 61 146.933 -4.144 -3.452 1.00 0.69 N ATOM 1000 CA TYR A 61 147.202 -4.683 -4.779 1.00 0.74 C ATOM 1001 C TYR A 61 146.234 -4.088 -5.796 1.00 0.74 C ATOM 1002 O TYR A 61 145.063 -4.465 -5.847 1.00 0.88 O ATOM 1003 CB TYR A 61 147.078 -6.208 -4.769 1.00 0.83 C ATOM 1004 CG TYR A 61 148.340 -6.919 -4.338 1.00 0.91 C ATOM 1005 CD1 TYR A 61 148.659 -7.054 -2.992 1.00 1.45 C ATOM 1006 CD2 TYR A 61 149.212 -7.459 -5.275 1.00 1.51 C ATOM 1007 CE1 TYR A 61 149.811 -7.705 -2.593 1.00 1.57 C ATOM 1008 CE2 TYR A 61 150.365 -8.113 -4.884 1.00 1.65 C ATOM 1009 CZ TYR A 61 150.660 -8.233 -3.543 1.00 1.27 C ATOM 1010 OH TYR A 61 151.807 -8.883 -3.150 1.00 1.50 O ATOM 0 H TYR A 61 146.028 -4.413 -3.065 1.00 0.69 H new ATOM 0 HA TYR A 61 148.220 -4.415 -5.062 1.00 0.74 H new ATOM 0 HB2 TYR A 61 146.265 -6.493 -4.101 1.00 0.83 H new ATOM 0 HB3 TYR A 61 146.804 -6.548 -5.768 1.00 0.83 H new ATOM 0 HD1 TYR A 61 147.996 -6.643 -2.245 1.00 1.45 H new ATOM 0 HD2 TYR A 61 148.985 -7.366 -6.327 1.00 1.51 H new ATOM 0 HE1 TYR A 61 150.045 -7.800 -1.543 1.00 1.57 H new ATOM 0 HE2 TYR A 61 151.032 -8.528 -5.626 1.00 1.65 H new ATOM 0 HH TYR A 61 152.293 -9.196 -3.941 1.00 1.50 H new ATOM 1020 N VAL A 62 146.725 -3.150 -6.598 1.00 0.91 N ATOM 1021 CA VAL A 62 145.898 -2.499 -7.603 1.00 0.98 C ATOM 1022 C VAL A 62 145.915 -3.262 -8.921 1.00 1.01 C ATOM 1023 O VAL A 62 146.842 -3.124 -9.719 1.00 1.06 O ATOM 1024 CB VAL A 62 146.359 -1.052 -7.857 1.00 1.01 C ATOM 1025 CG1 VAL A 62 147.867 -0.997 -8.050 1.00 1.73 C ATOM 1026 CG2 VAL A 62 145.638 -0.467 -9.062 1.00 1.80 C ATOM 0 H VAL A 62 147.691 -2.825 -6.571 1.00 0.91 H new ATOM 0 HA VAL A 62 144.881 -2.489 -7.210 1.00 0.98 H new ATOM 0 HB VAL A 62 146.107 -0.451 -6.984 1.00 1.01 H new ATOM 0 HG11 VAL A 62 148.174 0.034 -8.228 1.00 1.73 H new ATOM 0 HG12 VAL A 62 148.362 -1.373 -7.155 1.00 1.73 H new ATOM 0 HG13 VAL A 62 148.147 -1.612 -8.905 1.00 1.73 H new ATOM 0 HG21 VAL A 62 145.976 0.556 -9.227 1.00 1.80 H new ATOM 0 HG22 VAL A 62 145.857 -1.068 -9.944 1.00 1.80 H new ATOM 0 HG23 VAL A 62 144.563 -0.469 -8.879 1.00 1.80 H new ATOM 1036 N TYR A 63 144.879 -4.063 -9.149 1.00 0.99 N ATOM 1037 CA TYR A 63 144.775 -4.840 -10.378 1.00 1.03 C ATOM 1038 C TYR A 63 144.122 -4.012 -11.479 1.00 1.06 C ATOM 1039 O TYR A 63 142.928 -4.146 -11.747 1.00 1.08 O ATOM 1040 CB TYR A 63 143.970 -6.119 -10.136 1.00 1.02 C ATOM 1041 CG TYR A 63 144.015 -7.091 -11.294 1.00 1.11 C ATOM 1042 CD1 TYR A 63 145.065 -7.990 -11.431 1.00 1.58 C ATOM 1043 CD2 TYR A 63 143.007 -7.108 -12.250 1.00 1.66 C ATOM 1044 CE1 TYR A 63 145.109 -8.879 -12.488 1.00 1.75 C ATOM 1045 CE2 TYR A 63 143.044 -7.994 -13.310 1.00 1.79 C ATOM 1046 CZ TYR A 63 144.097 -8.877 -13.424 1.00 1.49 C ATOM 1047 OH TYR A 63 144.137 -9.761 -14.478 1.00 1.74 O ATOM 0 H TYR A 63 144.102 -4.191 -8.501 1.00 0.99 H new ATOM 0 HA TYR A 63 145.781 -5.114 -10.696 1.00 1.03 H new ATOM 0 HB2 TYR A 63 144.350 -6.614 -9.242 1.00 1.02 H new ATOM 0 HB3 TYR A 63 142.932 -5.853 -9.936 1.00 1.02 H new ATOM 0 HD1 TYR A 63 145.860 -7.994 -10.700 1.00 1.58 H new ATOM 0 HD2 TYR A 63 142.181 -6.418 -12.163 1.00 1.66 H new ATOM 0 HE1 TYR A 63 145.932 -9.572 -12.580 1.00 1.75 H new ATOM 0 HE2 TYR A 63 142.253 -7.995 -14.045 1.00 1.79 H new ATOM 0 HH TYR A 63 143.349 -9.630 -15.045 1.00 1.74 H new ATOM 1057 N ALA A 64 144.913 -3.150 -12.110 1.00 1.09 N ATOM 1058 CA ALA A 64 144.413 -2.292 -13.177 1.00 1.14 C ATOM 1059 C ALA A 64 144.170 -3.084 -14.456 1.00 1.49 C ATOM 1060 O ALA A 64 144.412 -4.290 -14.508 1.00 1.73 O ATOM 1061 CB ALA A 64 145.387 -1.153 -13.438 1.00 1.16 C ATOM 0 H ALA A 64 145.904 -3.028 -11.900 1.00 1.09 H new ATOM 0 HA ALA A 64 143.459 -1.876 -12.854 1.00 1.14 H new ATOM 0 HB1 ALA A 64 145.001 -0.520 -14.237 1.00 1.16 H new ATOM 0 HB2 ALA A 64 145.505 -0.560 -12.531 1.00 1.16 H new ATOM 0 HB3 ALA A 64 146.354 -1.561 -13.733 1.00 1.16 H new ATOM 1067 N SER A 65 143.690 -2.396 -15.487 1.00 1.64 N ATOM 1068 CA SER A 65 143.414 -3.034 -16.768 1.00 2.12 C ATOM 1069 C SER A 65 144.710 -3.371 -17.497 1.00 1.88 C ATOM 1070 O SER A 65 144.889 -4.488 -17.982 1.00 2.20 O ATOM 1071 CB SER A 65 142.548 -2.122 -17.639 1.00 2.65 C ATOM 1072 OG SER A 65 141.380 -2.794 -18.078 1.00 3.24 O ATOM 0 H SER A 65 143.484 -1.397 -15.460 1.00 1.64 H new ATOM 0 HA SER A 65 142.874 -3.961 -16.576 1.00 2.12 H new ATOM 0 HB2 SER A 65 142.269 -1.233 -17.074 1.00 2.65 H new ATOM 0 HB3 SER A 65 143.123 -1.785 -18.501 1.00 2.65 H new ATOM 0 HG SER A 65 141.138 -3.487 -17.429 1.00 3.24 H new ATOM 1078 N ASP A 66 145.611 -2.397 -17.573 1.00 1.61 N ATOM 1079 CA ASP A 66 146.888 -2.588 -18.243 1.00 1.59 C ATOM 1080 C ASP A 66 147.652 -3.760 -17.641 1.00 1.52 C ATOM 1081 O ASP A 66 148.584 -4.286 -18.248 1.00 1.80 O ATOM 1082 CB ASP A 66 147.731 -1.314 -18.157 1.00 1.69 C ATOM 1083 CG ASP A 66 149.044 -1.438 -18.906 1.00 2.27 C ATOM 1084 OD1 ASP A 66 149.214 -2.429 -19.647 1.00 2.62 O ATOM 1085 OD2 ASP A 66 149.902 -0.544 -18.751 1.00 2.97 O ATOM 0 H ASP A 66 145.478 -1.466 -17.177 1.00 1.61 H new ATOM 0 HA ASP A 66 146.687 -2.811 -19.291 1.00 1.59 H new ATOM 0 HB2 ASP A 66 147.162 -0.477 -18.562 1.00 1.69 H new ATOM 0 HB3 ASP A 66 147.933 -1.085 -17.111 1.00 1.69 H new ATOM 1090 N LYS A 67 147.246 -4.163 -16.444 1.00 1.41 N ATOM 1091 CA LYS A 67 147.883 -5.275 -15.747 1.00 1.36 C ATOM 1092 C LYS A 67 147.627 -5.198 -14.246 1.00 1.29 C ATOM 1093 O LYS A 67 146.861 -4.355 -13.777 1.00 1.27 O ATOM 1094 CB LYS A 67 149.389 -5.281 -16.017 1.00 1.48 C ATOM 1095 CG LYS A 67 149.805 -6.247 -17.113 1.00 1.75 C ATOM 1096 CD LYS A 67 150.931 -7.159 -16.655 1.00 2.11 C ATOM 1097 CE LYS A 67 150.986 -8.434 -17.481 1.00 2.85 C ATOM 1098 NZ LYS A 67 150.884 -9.651 -16.630 1.00 3.39 N ATOM 0 H LYS A 67 146.475 -3.734 -15.933 1.00 1.41 H new ATOM 0 HA LYS A 67 147.449 -6.200 -16.125 1.00 1.36 H new ATOM 0 HB2 LYS A 67 149.705 -4.275 -16.292 1.00 1.48 H new ATOM 0 HB3 LYS A 67 149.914 -5.540 -15.097 1.00 1.48 H new ATOM 0 HG2 LYS A 67 148.947 -6.849 -17.413 1.00 1.75 H new ATOM 0 HG3 LYS A 67 150.124 -5.686 -17.992 1.00 1.75 H new ATOM 0 HD2 LYS A 67 151.882 -6.632 -16.733 1.00 2.11 H new ATOM 0 HD3 LYS A 67 150.792 -7.411 -15.604 1.00 2.11 H new ATOM 0 HE2 LYS A 67 150.174 -8.431 -18.209 1.00 2.85 H new ATOM 0 HE3 LYS A 67 151.919 -8.462 -18.044 1.00 2.85 H new ATOM 0 HZ1 LYS A 67 150.925 -10.499 -17.231 1.00 3.39 H new ATOM 0 HZ2 LYS A 67 151.673 -9.668 -15.952 1.00 3.39 H new ATOM 0 HZ3 LYS A 67 149.982 -9.638 -16.112 1.00 3.39 H new ATOM 1112 N LEU A 68 148.274 -6.085 -13.496 1.00 1.29 N ATOM 1113 CA LEU A 68 148.119 -6.119 -12.047 1.00 1.25 C ATOM 1114 C LEU A 68 149.225 -5.322 -11.363 1.00 1.26 C ATOM 1115 O LEU A 68 150.396 -5.431 -11.726 1.00 1.58 O ATOM 1116 CB LEU A 68 148.130 -7.564 -11.545 1.00 1.30 C ATOM 1117 CG LEU A 68 149.485 -8.268 -11.627 1.00 1.58 C ATOM 1118 CD1 LEU A 68 150.057 -8.489 -10.236 1.00 1.84 C ATOM 1119 CD2 LEU A 68 149.353 -9.590 -12.368 1.00 1.86 C ATOM 0 H LEU A 68 148.911 -6.790 -13.869 1.00 1.29 H new ATOM 0 HA LEU A 68 147.161 -5.663 -11.798 1.00 1.25 H new ATOM 0 HB2 LEU A 68 147.794 -7.575 -10.508 1.00 1.30 H new ATOM 0 HB3 LEU A 68 147.404 -8.138 -12.121 1.00 1.30 H new ATOM 0 HG LEU A 68 150.172 -7.630 -12.182 1.00 1.58 H new ATOM 0 HD11 LEU A 68 151.021 -8.991 -10.315 1.00 1.84 H new ATOM 0 HD12 LEU A 68 150.188 -7.528 -9.739 1.00 1.84 H new ATOM 0 HD13 LEU A 68 149.372 -9.107 -9.655 1.00 1.84 H new ATOM 0 HD21 LEU A 68 150.326 -10.078 -12.417 1.00 1.86 H new ATOM 0 HD22 LEU A 68 148.650 -10.234 -11.840 1.00 1.86 H new ATOM 0 HD23 LEU A 68 148.988 -9.406 -13.378 1.00 1.86 H new ATOM 1131 N PHE A 69 148.846 -4.521 -10.374 1.00 1.10 N ATOM 1132 CA PHE A 69 149.807 -3.705 -9.641 1.00 1.10 C ATOM 1133 C PHE A 69 149.644 -3.889 -8.136 1.00 0.95 C ATOM 1134 O PHE A 69 148.878 -4.739 -7.683 1.00 1.26 O ATOM 1135 CB PHE A 69 149.639 -2.230 -10.008 1.00 1.20 C ATOM 1136 CG PHE A 69 150.278 -1.860 -11.317 1.00 1.20 C ATOM 1137 CD1 PHE A 69 149.857 -2.448 -12.498 1.00 1.74 C ATOM 1138 CD2 PHE A 69 151.299 -0.925 -11.364 1.00 1.93 C ATOM 1139 CE1 PHE A 69 150.443 -2.111 -13.704 1.00 2.31 C ATOM 1140 CE2 PHE A 69 151.889 -0.583 -12.567 1.00 2.42 C ATOM 1141 CZ PHE A 69 151.460 -1.177 -13.738 1.00 2.42 C ATOM 0 H PHE A 69 147.881 -4.419 -10.061 1.00 1.10 H new ATOM 0 HA PHE A 69 150.809 -4.030 -9.921 1.00 1.10 H new ATOM 0 HB2 PHE A 69 148.576 -1.994 -10.053 1.00 1.20 H new ATOM 0 HB3 PHE A 69 150.069 -1.616 -9.217 1.00 1.20 H new ATOM 0 HD1 PHE A 69 149.062 -3.178 -12.477 1.00 1.74 H new ATOM 0 HD2 PHE A 69 151.638 -0.458 -10.451 1.00 1.93 H new ATOM 0 HE1 PHE A 69 150.106 -2.577 -14.618 1.00 2.31 H new ATOM 0 HE2 PHE A 69 152.684 0.148 -12.591 1.00 2.42 H new ATOM 0 HZ PHE A 69 151.919 -0.911 -14.679 1.00 2.42 H new ATOM 1151 N ARG A 70 150.369 -3.085 -7.366 1.00 0.96 N ATOM 1152 CA ARG A 70 150.307 -3.155 -5.913 1.00 0.83 C ATOM 1153 C ARG A 70 151.275 -2.164 -5.280 1.00 0.73 C ATOM 1154 O ARG A 70 152.440 -2.083 -5.671 1.00 0.78 O ATOM 1155 CB ARG A 70 150.620 -4.574 -5.433 1.00 0.89 C ATOM 1156 CG ARG A 70 150.793 -4.682 -3.927 1.00 0.81 C ATOM 1157 CD ARG A 70 151.866 -5.693 -3.560 1.00 1.02 C ATOM 1158 NE ARG A 70 153.175 -5.067 -3.393 1.00 1.19 N ATOM 1159 CZ ARG A 70 154.253 -5.718 -2.969 1.00 1.16 C ATOM 1160 NH1 ARG A 70 154.176 -7.008 -2.669 1.00 1.50 N ATOM 1161 NH2 ARG A 70 155.409 -5.080 -2.843 1.00 1.91 N ATOM 0 H ARG A 70 151.008 -2.376 -7.726 1.00 0.96 H new ATOM 0 HA ARG A 70 149.295 -2.893 -5.605 1.00 0.83 H new ATOM 0 HB2 ARG A 70 149.816 -5.240 -5.747 1.00 0.89 H new ATOM 0 HB3 ARG A 70 151.531 -4.921 -5.921 1.00 0.89 H new ATOM 0 HG2 ARG A 70 151.057 -3.706 -3.519 1.00 0.81 H new ATOM 0 HG3 ARG A 70 149.847 -4.973 -3.471 1.00 0.81 H new ATOM 0 HD2 ARG A 70 151.586 -6.199 -2.636 1.00 1.02 H new ATOM 0 HD3 ARG A 70 151.926 -6.456 -4.336 1.00 1.02 H new ATOM 0 HE ARG A 70 153.267 -4.075 -3.614 1.00 1.19 H new ATOM 0 HH11 ARG A 70 153.288 -7.502 -2.764 1.00 1.50 H new ATOM 0 HH12 ARG A 70 155.004 -7.506 -2.344 1.00 1.50 H new ATOM 0 HH21 ARG A 70 155.472 -4.088 -3.072 1.00 1.91 H new ATOM 0 HH22 ARG A 70 156.235 -5.581 -2.517 1.00 1.91 H new ATOM 1175 N ALA A 71 150.787 -1.414 -4.299 1.00 0.68 N ATOM 1176 CA ALA A 71 151.610 -0.430 -3.611 1.00 0.62 C ATOM 1177 C ALA A 71 151.804 -0.816 -2.152 1.00 0.52 C ATOM 1178 O ALA A 71 151.092 -1.673 -1.630 1.00 0.58 O ATOM 1179 CB ALA A 71 150.984 0.952 -3.717 1.00 0.67 C ATOM 0 H ALA A 71 149.826 -1.469 -3.963 1.00 0.68 H new ATOM 0 HA ALA A 71 152.588 -0.406 -4.091 1.00 0.62 H new ATOM 0 HB1 ALA A 71 151.611 1.676 -3.198 1.00 0.67 H new ATOM 0 HB2 ALA A 71 150.898 1.233 -4.767 1.00 0.67 H new ATOM 0 HB3 ALA A 71 149.993 0.938 -3.263 1.00 0.67 H new ATOM 1185 N ASP A 72 152.769 -0.183 -1.493 1.00 0.47 N ATOM 1186 CA ASP A 72 153.039 -0.476 -0.095 1.00 0.44 C ATOM 1187 C ASP A 72 153.147 0.805 0.720 1.00 0.44 C ATOM 1188 O ASP A 72 154.008 1.649 0.464 1.00 0.51 O ATOM 1189 CB ASP A 72 154.325 -1.293 0.041 1.00 0.51 C ATOM 1190 CG ASP A 72 154.221 -2.363 1.110 1.00 0.66 C ATOM 1191 OD1 ASP A 72 153.855 -2.024 2.255 1.00 1.42 O ATOM 1192 OD2 ASP A 72 154.505 -3.539 0.803 1.00 1.19 O ATOM 0 H ASP A 72 153.372 0.531 -1.903 1.00 0.47 H new ATOM 0 HA ASP A 72 152.205 -1.061 0.293 1.00 0.44 H new ATOM 0 HB2 ASP A 72 154.558 -1.761 -0.916 1.00 0.51 H new ATOM 0 HB3 ASP A 72 155.153 -0.625 0.279 1.00 0.51 H new ATOM 1197 N ILE A 73 152.269 0.938 1.705 1.00 0.46 N ATOM 1198 CA ILE A 73 152.264 2.107 2.569 1.00 0.51 C ATOM 1199 C ILE A 73 152.823 1.757 3.940 1.00 0.52 C ATOM 1200 O ILE A 73 152.511 0.707 4.499 1.00 0.77 O ATOM 1201 CB ILE A 73 150.845 2.684 2.733 1.00 0.56 C ATOM 1202 CG1 ILE A 73 150.358 3.285 1.413 1.00 0.68 C ATOM 1203 CG2 ILE A 73 150.822 3.730 3.838 1.00 1.11 C ATOM 1204 CD1 ILE A 73 148.870 3.556 1.385 1.00 1.01 C ATOM 0 H ILE A 73 151.550 0.248 1.925 1.00 0.46 H new ATOM 0 HA ILE A 73 152.893 2.861 2.096 1.00 0.51 H new ATOM 0 HB ILE A 73 150.171 1.874 3.012 1.00 0.56 H new ATOM 0 HG12 ILE A 73 150.892 4.217 1.228 1.00 0.68 H new ATOM 0 HG13 ILE A 73 150.611 2.606 0.599 1.00 0.68 H new ATOM 0 HG21 ILE A 73 149.813 4.128 3.941 1.00 1.11 H new ATOM 0 HG22 ILE A 73 151.130 3.273 4.778 1.00 1.11 H new ATOM 0 HG23 ILE A 73 151.507 4.540 3.587 1.00 1.11 H new ATOM 0 HD11 ILE A 73 148.596 3.981 0.420 1.00 1.01 H new ATOM 0 HD12 ILE A 73 148.327 2.623 1.538 1.00 1.01 H new ATOM 0 HD13 ILE A 73 148.613 4.259 2.177 1.00 1.01 H new ATOM 1216 N SER A 74 153.656 2.636 4.475 1.00 0.62 N ATOM 1217 CA SER A 74 154.259 2.411 5.779 1.00 0.67 C ATOM 1218 C SER A 74 154.428 3.726 6.525 1.00 0.74 C ATOM 1219 O SER A 74 155.013 4.672 6.001 1.00 0.86 O ATOM 1220 CB SER A 74 155.617 1.726 5.622 1.00 0.74 C ATOM 1221 OG SER A 74 156.529 2.559 4.924 1.00 1.03 O ATOM 0 H SER A 74 153.930 3.511 4.027 1.00 0.62 H new ATOM 0 HA SER A 74 153.597 1.764 6.355 1.00 0.67 H new ATOM 0 HB2 SER A 74 156.021 1.482 6.605 1.00 0.74 H new ATOM 0 HB3 SER A 74 155.494 0.785 5.085 1.00 0.74 H new ATOM 0 HG SER A 74 156.314 3.499 5.100 1.00 1.03 H new ATOM 1227 N GLU A 75 153.914 3.783 7.748 1.00 0.77 N ATOM 1228 CA GLU A 75 154.015 4.988 8.556 1.00 0.86 C ATOM 1229 C GLU A 75 154.370 4.640 9.990 1.00 0.90 C ATOM 1230 O GLU A 75 153.499 4.618 10.853 1.00 1.14 O ATOM 1231 CB GLU A 75 152.696 5.764 8.520 1.00 0.98 C ATOM 1232 CG GLU A 75 152.043 5.795 7.148 1.00 1.37 C ATOM 1233 CD GLU A 75 151.789 7.207 6.656 1.00 1.91 C ATOM 1234 OE1 GLU A 75 151.451 8.074 7.488 1.00 2.47 O ATOM 1235 OE2 GLU A 75 151.928 7.444 5.437 1.00 2.48 O ATOM 0 H GLU A 75 153.425 3.010 8.199 1.00 0.77 H new ATOM 0 HA GLU A 75 154.806 5.613 8.141 1.00 0.86 H new ATOM 0 HB2 GLU A 75 152.003 5.318 9.233 1.00 0.98 H new ATOM 0 HB3 GLU A 75 152.877 6.787 8.850 1.00 0.98 H new ATOM 0 HG2 GLU A 75 152.681 5.274 6.434 1.00 1.37 H new ATOM 0 HG3 GLU A 75 151.099 5.252 7.187 1.00 1.37 H new ATOM 1242 N ASP A 76 155.646 4.364 10.251 1.00 0.99 N ATOM 1243 CA ASP A 76 156.062 4.015 11.596 1.00 1.12 C ATOM 1244 C ASP A 76 156.984 5.072 12.181 1.00 1.28 C ATOM 1245 O ASP A 76 157.176 6.138 11.596 1.00 1.38 O ATOM 1246 CB ASP A 76 156.744 2.647 11.613 1.00 1.44 C ATOM 1247 CG ASP A 76 155.774 1.514 11.343 1.00 1.63 C ATOM 1248 OD1 ASP A 76 154.576 1.796 11.135 1.00 1.90 O ATOM 1249 OD2 ASP A 76 156.213 0.345 11.339 1.00 2.30 O ATOM 0 H ASP A 76 156.394 4.376 9.558 1.00 0.99 H new ATOM 0 HA ASP A 76 155.167 3.967 12.217 1.00 1.12 H new ATOM 0 HB2 ASP A 76 157.536 2.630 10.864 1.00 1.44 H new ATOM 0 HB3 ASP A 76 157.218 2.492 12.582 1.00 1.44 H new ATOM 1342 N ARG A 82 157.524 7.397 7.073 1.00 0.99 N ATOM 1343 CA ARG A 82 156.106 7.471 6.784 1.00 0.89 C ATOM 1344 C ARG A 82 155.854 8.025 5.388 1.00 1.00 C ATOM 1345 O ARG A 82 156.291 9.127 5.056 1.00 1.24 O ATOM 1346 CB ARG A 82 155.399 8.314 7.848 1.00 1.19 C ATOM 1347 CG ARG A 82 154.095 8.940 7.376 1.00 1.45 C ATOM 1348 CD ARG A 82 154.258 10.427 7.103 1.00 2.30 C ATOM 1349 NE ARG A 82 153.033 11.024 6.579 1.00 2.67 N ATOM 1350 CZ ARG A 82 151.927 11.186 7.298 1.00 3.05 C ATOM 1351 NH1 ARG A 82 151.894 10.796 8.565 1.00 3.29 N ATOM 1352 NH2 ARG A 82 150.853 11.738 6.751 1.00 3.67 N ATOM 0 HA ARG A 82 155.695 6.462 6.810 1.00 0.89 H new ATOM 0 HB2 ARG A 82 155.196 7.688 8.717 1.00 1.19 H new ATOM 0 HB3 ARG A 82 156.072 9.106 8.176 1.00 1.19 H new ATOM 0 HG2 ARG A 82 153.756 8.438 6.470 1.00 1.45 H new ATOM 0 HG3 ARG A 82 153.324 8.790 8.131 1.00 1.45 H new ATOM 0 HD2 ARG A 82 154.544 10.935 8.024 1.00 2.30 H new ATOM 0 HD3 ARG A 82 155.069 10.578 6.390 1.00 2.30 H new ATOM 0 HE ARG A 82 153.026 11.334 5.607 1.00 2.67 H new ATOM 0 HH11 ARG A 82 152.718 10.371 8.989 1.00 3.29 H new ATOM 0 HH12 ARG A 82 151.044 10.921 9.115 1.00 3.29 H new ATOM 0 HH21 ARG A 82 150.875 12.039 5.777 1.00 3.67 H new ATOM 0 HH22 ARG A 82 150.005 11.861 7.304 1.00 3.67 H new ATOM 1366 N LYS A 83 155.146 7.248 4.572 1.00 1.02 N ATOM 1367 CA LYS A 83 154.839 7.666 3.208 1.00 1.35 C ATOM 1368 C LYS A 83 154.457 6.486 2.321 1.00 0.98 C ATOM 1369 O LYS A 83 154.786 5.338 2.616 1.00 0.87 O ATOM 1370 CB LYS A 83 156.039 8.393 2.602 1.00 1.88 C ATOM 1371 CG LYS A 83 157.379 7.816 3.028 1.00 1.59 C ATOM 1372 CD LYS A 83 158.137 7.237 1.845 1.00 1.69 C ATOM 1373 CE LYS A 83 159.427 7.998 1.583 1.00 2.37 C ATOM 1374 NZ LYS A 83 160.553 7.084 1.247 1.00 2.70 N ATOM 0 H LYS A 83 154.777 6.333 4.829 1.00 1.02 H new ATOM 0 HA LYS A 83 153.982 8.338 3.258 1.00 1.35 H new ATOM 0 HB2 LYS A 83 155.965 8.355 1.515 1.00 1.88 H new ATOM 0 HB3 LYS A 83 155.998 9.444 2.887 1.00 1.88 H new ATOM 0 HG2 LYS A 83 157.978 8.595 3.500 1.00 1.59 H new ATOM 0 HG3 LYS A 83 157.221 7.039 3.776 1.00 1.59 H new ATOM 0 HD2 LYS A 83 158.364 6.188 2.035 1.00 1.69 H new ATOM 0 HD3 LYS A 83 157.507 7.270 0.956 1.00 1.69 H new ATOM 0 HE2 LYS A 83 159.274 8.701 0.764 1.00 2.37 H new ATOM 0 HE3 LYS A 83 159.687 8.586 2.463 1.00 2.37 H new ATOM 0 HZ1 LYS A 83 161.414 7.642 1.076 1.00 2.70 H new ATOM 0 HZ2 LYS A 83 160.717 6.429 2.038 1.00 2.70 H new ATOM 0 HZ3 LYS A 83 160.316 6.541 0.392 1.00 2.70 H new ATOM 1388 N LEU A 84 153.775 6.793 1.218 1.00 1.02 N ATOM 1389 CA LEU A 84 153.359 5.781 0.253 1.00 0.78 C ATOM 1390 C LEU A 84 154.354 5.751 -0.900 1.00 0.78 C ATOM 1391 O LEU A 84 154.791 6.800 -1.373 1.00 0.88 O ATOM 1392 CB LEU A 84 151.952 6.079 -0.269 1.00 0.92 C ATOM 1393 CG LEU A 84 150.971 6.608 0.779 1.00 1.61 C ATOM 1394 CD1 LEU A 84 151.141 8.109 0.959 1.00 2.17 C ATOM 1395 CD2 LEU A 84 149.541 6.275 0.384 1.00 2.32 C ATOM 0 H LEU A 84 153.498 7.743 0.971 1.00 1.02 H new ATOM 0 HA LEU A 84 153.338 4.807 0.742 1.00 0.78 H new ATOM 0 HB2 LEU A 84 152.027 6.809 -1.075 1.00 0.92 H new ATOM 0 HB3 LEU A 84 151.541 5.167 -0.702 1.00 0.92 H new ATOM 0 HG LEU A 84 151.187 6.122 1.731 1.00 1.61 H new ATOM 0 HD11 LEU A 84 150.435 8.468 1.708 1.00 2.17 H new ATOM 0 HD12 LEU A 84 152.158 8.323 1.287 1.00 2.17 H new ATOM 0 HD13 LEU A 84 150.952 8.613 0.011 1.00 2.17 H new ATOM 0 HD21 LEU A 84 148.856 6.658 1.140 1.00 2.32 H new ATOM 0 HD22 LEU A 84 149.313 6.734 -0.578 1.00 2.32 H new ATOM 0 HD23 LEU A 84 149.427 5.194 0.306 1.00 2.32 H new ATOM 1407 N LEU A 85 154.745 4.557 -1.329 1.00 0.71 N ATOM 1408 CA LEU A 85 155.728 4.439 -2.399 1.00 0.75 C ATOM 1409 C LEU A 85 155.460 3.238 -3.300 1.00 0.73 C ATOM 1410 O LEU A 85 154.975 3.396 -4.420 1.00 0.78 O ATOM 1411 CB LEU A 85 157.125 4.328 -1.789 1.00 0.81 C ATOM 1412 CG LEU A 85 157.153 3.826 -0.342 1.00 0.79 C ATOM 1413 CD1 LEU A 85 158.573 3.489 0.080 1.00 0.95 C ATOM 1414 CD2 LEU A 85 156.557 4.862 0.600 1.00 0.93 C ATOM 0 H LEU A 85 154.403 3.670 -0.960 1.00 0.71 H new ATOM 0 HA LEU A 85 155.655 5.332 -3.020 1.00 0.75 H new ATOM 0 HB2 LEU A 85 157.723 3.656 -2.404 1.00 0.81 H new ATOM 0 HB3 LEU A 85 157.603 5.307 -1.829 1.00 0.81 H new ATOM 0 HG LEU A 85 156.549 2.920 -0.287 1.00 0.79 H new ATOM 0 HD11 LEU A 85 158.572 3.134 1.111 1.00 0.95 H new ATOM 0 HD12 LEU A 85 158.971 2.711 -0.571 1.00 0.95 H new ATOM 0 HD13 LEU A 85 159.196 4.380 0.004 1.00 0.95 H new ATOM 0 HD21 LEU A 85 156.587 4.484 1.622 1.00 0.93 H new ATOM 0 HD22 LEU A 85 157.133 5.785 0.537 1.00 0.93 H new ATOM 0 HD23 LEU A 85 155.523 5.060 0.317 1.00 0.93 H new ATOM 1426 N ARG A 86 155.802 2.047 -2.804 1.00 0.71 N ATOM 1427 CA ARG A 86 155.626 0.802 -3.554 1.00 0.75 C ATOM 1428 C ARG A 86 154.469 0.894 -4.543 1.00 0.78 C ATOM 1429 O ARG A 86 153.440 1.504 -4.255 1.00 0.99 O ATOM 1430 CB ARG A 86 155.395 -0.364 -2.592 1.00 0.72 C ATOM 1431 CG ARG A 86 156.447 -1.456 -2.697 1.00 0.94 C ATOM 1432 CD ARG A 86 156.961 -1.868 -1.327 1.00 1.14 C ATOM 1433 NE ARG A 86 158.408 -2.062 -1.321 1.00 1.53 N ATOM 1434 CZ ARG A 86 159.014 -3.098 -1.892 1.00 1.87 C ATOM 1435 NH1 ARG A 86 158.299 -4.028 -2.511 1.00 2.22 N ATOM 1436 NH2 ARG A 86 160.335 -3.205 -1.845 1.00 2.55 N ATOM 0 H ARG A 86 156.206 1.919 -1.876 1.00 0.71 H new ATOM 0 HA ARG A 86 156.539 0.631 -4.124 1.00 0.75 H new ATOM 0 HB2 ARG A 86 155.378 0.016 -1.571 1.00 0.72 H new ATOM 0 HB3 ARG A 86 154.414 -0.796 -2.787 1.00 0.72 H new ATOM 0 HG2 ARG A 86 156.023 -2.323 -3.204 1.00 0.94 H new ATOM 0 HG3 ARG A 86 157.278 -1.104 -3.308 1.00 0.94 H new ATOM 0 HD2 ARG A 86 156.695 -1.105 -0.595 1.00 1.14 H new ATOM 0 HD3 ARG A 86 156.470 -2.791 -1.018 1.00 1.14 H new ATOM 0 HE ARG A 86 158.986 -1.364 -0.853 1.00 1.53 H new ATOM 0 HH11 ARG A 86 157.283 -3.949 -2.549 1.00 2.22 H new ATOM 0 HH12 ARG A 86 158.765 -4.823 -2.949 1.00 2.22 H new ATOM 0 HH21 ARG A 86 160.888 -2.491 -1.370 1.00 2.55 H new ATOM 0 HH22 ARG A 86 160.798 -4.001 -2.284 1.00 2.55 H new ATOM 1450 N PHE A 87 154.653 0.290 -5.714 1.00 0.85 N ATOM 1451 CA PHE A 87 153.630 0.305 -6.754 1.00 0.88 C ATOM 1452 C PHE A 87 153.974 -0.678 -7.868 1.00 0.99 C ATOM 1453 O PHE A 87 154.096 -0.295 -9.031 1.00 1.30 O ATOM 1454 CB PHE A 87 153.486 1.714 -7.332 1.00 0.93 C ATOM 1455 CG PHE A 87 152.063 2.108 -7.607 1.00 0.87 C ATOM 1456 CD1 PHE A 87 151.266 2.622 -6.597 1.00 1.42 C ATOM 1457 CD2 PHE A 87 151.523 1.967 -8.875 1.00 1.47 C ATOM 1458 CE1 PHE A 87 149.958 2.986 -6.846 1.00 1.44 C ATOM 1459 CE2 PHE A 87 150.214 2.329 -9.131 1.00 1.49 C ATOM 1460 CZ PHE A 87 149.430 2.840 -8.114 1.00 0.92 C ATOM 0 H PHE A 87 155.502 -0.216 -5.966 1.00 0.85 H new ATOM 0 HA PHE A 87 152.684 0.003 -6.305 1.00 0.88 H new ATOM 0 HB2 PHE A 87 153.925 2.430 -6.637 1.00 0.93 H new ATOM 0 HB3 PHE A 87 154.058 1.778 -8.258 1.00 0.93 H new ATOM 0 HD1 PHE A 87 151.673 2.739 -5.603 1.00 1.42 H new ATOM 0 HD2 PHE A 87 152.132 1.569 -9.673 1.00 1.47 H new ATOM 0 HE1 PHE A 87 149.347 3.385 -6.049 1.00 1.44 H new ATOM 0 HE2 PHE A 87 149.805 2.213 -10.124 1.00 1.49 H new ATOM 0 HZ PHE A 87 148.407 3.125 -8.310 1.00 0.92 H new ATOM 1470 N ASN A 88 154.129 -1.947 -7.505 1.00 0.84 N ATOM 1471 CA ASN A 88 154.460 -2.984 -8.476 1.00 0.95 C ATOM 1472 C ASN A 88 153.502 -4.165 -8.359 1.00 1.06 C ATOM 1473 O ASN A 88 152.555 -4.134 -7.574 1.00 1.54 O ATOM 1474 CB ASN A 88 155.900 -3.459 -8.275 1.00 1.41 C ATOM 1475 CG ASN A 88 156.559 -3.873 -9.576 1.00 1.92 C ATOM 1476 OD1 ASN A 88 155.993 -3.698 -10.655 1.00 2.49 O ATOM 1477 ND2 ASN A 88 157.762 -4.426 -9.480 1.00 2.46 N ATOM 0 H ASN A 88 154.031 -2.282 -6.547 1.00 0.84 H new ATOM 0 HA ASN A 88 154.361 -2.557 -9.474 1.00 0.95 H new ATOM 0 HB2 ASN A 88 156.482 -2.661 -7.814 1.00 1.41 H new ATOM 0 HB3 ASN A 88 155.909 -4.301 -7.583 1.00 1.41 H new ATOM 0 HD21 ASN A 88 158.255 -4.725 -10.322 1.00 2.46 H new ATOM 0 HD22 ASN A 88 158.194 -4.552 -8.565 1.00 2.46 H new