USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 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 64 TYR OH : rot 27:sc= -0.366 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.711 X(o=0.94,f=0.8) USER MOD Set 1.3: A 84 HIS : no HD1:sc= 0.478 K(o=0.94,f=-3.8!) USER MOD Set 1.4: A 99 HIS : no HD1:sc= 0.526 K(o=0.94,f=-0.84) USER MOD Set 1.5: A 115 TYR OH : rot 58:sc= 1.01 USER MOD Set 2.1: A 74 HIS : no HD1:sc= -3.44! K(o=-3.8!,f=-4.3) USER MOD Set 2.2: A 104 HIS : no HD1:sc= -0.381 K(o=-3.8,f=-6) USER MOD Set 3.1: A 30 TYR OH : rot -120:sc=-0.00108 USER MOD Set 3.2: A 32 MET CE :methyl 157:sc= -0.0122 (180deg=-0.871) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot -119:sc= -0.526 USER MOD Single : A 24 GLN : amide:sc= -1.19! C(o=-1.2!,f=-7!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 33 SER OG : rot -39:sc= 0.528 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 68:sc= 1.05 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -96:sc= 0.542 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0872 (180deg=-0.425) USER MOD Single : A 70 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.19) USER MOD Single : A 71 ASN :FLIP amide:sc= 0.508 F(o=0,f=0.51) USER MOD Single : A 72 ASN : amide:sc= 0.0152 X(o=0.015,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.45) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.069) USER MOD Single : A 102 THR OG1 : rot 65:sc= 1 USER MOD Single : A 103 TYR OH : rot -35:sc= 0.64 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0942 K(o=-0.094,f=-2.4!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 175:sc= -0.938 USER MOD Single : A 121 TYR OH : rot 180:sc= -0.0371 USER MOD Single : A 122 THR OG1 : rot 77:sc= 0.414 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.599 -8.204 -9.145 1.00 60.23 N ATOM 21 CA PRO A 2 9.120 -8.360 -9.009 1.00 45.02 C ATOM 22 C PRO A 2 8.674 -9.766 -8.519 1.00 61.01 C ATOM 23 O PRO A 2 8.873 -10.764 -9.217 1.00 22.50 O ATOM 24 CB PRO A 2 8.601 -8.098 -10.449 1.00 51.22 C ATOM 25 CG PRO A 2 9.595 -7.156 -11.036 1.00 72.21 C ATOM 26 CD PRO A 2 10.933 -7.550 -10.443 1.00 44.24 C ATOM 0 HA PRO A 2 8.723 -7.682 -8.254 1.00 45.02 H new ATOM 0 HB2 PRO A 2 8.542 -9.022 -11.024 1.00 51.22 H new ATOM 0 HB3 PRO A 2 7.601 -7.664 -10.438 1.00 51.22 H new ATOM 0 HG2 PRO A 2 9.611 -7.231 -12.123 1.00 72.21 H new ATOM 0 HG3 PRO A 2 9.347 -6.123 -10.792 1.00 72.21 H new ATOM 0 HD2 PRO A 2 11.472 -8.231 -11.102 1.00 44.24 H new ATOM 0 HD3 PRO A 2 11.571 -6.679 -10.294 1.00 44.24 H new ATOM 34 N LEU A 3 8.105 -9.828 -7.306 1.00 43.02 N ATOM 35 CA LEU A 3 7.553 -11.075 -6.729 1.00 41.04 C ATOM 36 C LEU A 3 6.084 -11.209 -7.197 1.00 21.22 C ATOM 37 O LEU A 3 5.309 -10.285 -7.016 1.00 2.32 O ATOM 38 CB LEU A 3 7.673 -11.014 -5.167 1.00 42.23 C ATOM 39 CG LEU A 3 7.524 -12.357 -4.357 1.00 61.51 C ATOM 40 CD1 LEU A 3 7.931 -12.160 -2.880 1.00 63.35 C ATOM 41 CD2 LEU A 3 6.102 -12.951 -4.435 1.00 23.55 C ATOM 0 H LEU A 3 8.012 -9.018 -6.693 1.00 43.02 H new ATOM 0 HA LEU A 3 8.105 -11.953 -7.065 1.00 41.04 H new ATOM 0 HB2 LEU A 3 8.645 -10.584 -4.924 1.00 42.23 H new ATOM 0 HB3 LEU A 3 6.917 -10.319 -4.802 1.00 42.23 H new ATOM 0 HG LEU A 3 8.200 -13.071 -4.827 1.00 61.51 H new ATOM 0 HD11 LEU A 3 7.819 -13.102 -2.343 1.00 63.35 H new ATOM 0 HD12 LEU A 3 8.970 -11.835 -2.829 1.00 63.35 H new ATOM 0 HD13 LEU A 3 7.292 -11.404 -2.424 1.00 63.35 H new ATOM 0 HD21 LEU A 3 6.061 -13.875 -3.858 1.00 23.55 H new ATOM 0 HD22 LEU A 3 5.387 -12.237 -4.027 1.00 23.55 H new ATOM 0 HD23 LEU A 3 5.852 -13.162 -5.475 1.00 23.55 H new ATOM 53 N GLU A 4 5.699 -12.354 -7.785 1.00 11.11 N ATOM 54 CA GLU A 4 4.336 -12.530 -8.360 1.00 23.22 C ATOM 55 C GLU A 4 3.592 -13.715 -7.713 1.00 71.33 C ATOM 56 O GLU A 4 4.182 -14.776 -7.475 1.00 42.31 O ATOM 57 CB GLU A 4 4.433 -12.743 -9.897 1.00 65.04 C ATOM 58 CG GLU A 4 3.081 -12.949 -10.621 1.00 74.20 C ATOM 59 CD GLU A 4 3.239 -13.192 -12.133 1.00 34.34 C ATOM 60 OE1 GLU A 4 3.640 -14.310 -12.520 1.00 40.01 O ATOM 61 OE2 GLU A 4 2.980 -12.272 -12.938 1.00 54.43 O ATOM 0 H GLU A 4 6.301 -13.172 -7.879 1.00 11.11 H new ATOM 0 HA GLU A 4 3.767 -11.624 -8.150 1.00 23.22 H new ATOM 0 HB2 GLU A 4 4.934 -11.880 -10.336 1.00 65.04 H new ATOM 0 HB3 GLU A 4 5.065 -13.610 -10.088 1.00 65.04 H new ATOM 0 HG2 GLU A 4 2.562 -13.797 -10.175 1.00 74.20 H new ATOM 0 HG3 GLU A 4 2.453 -12.072 -10.463 1.00 74.20 H new ATOM 68 N TRP A 5 2.296 -13.509 -7.418 1.00 55.11 N ATOM 69 CA TRP A 5 1.370 -14.593 -7.056 1.00 10.33 C ATOM 70 C TRP A 5 0.530 -15.005 -8.284 1.00 0.34 C ATOM 71 O TRP A 5 0.042 -14.153 -9.033 1.00 42.13 O ATOM 72 CB TRP A 5 0.415 -14.175 -5.905 1.00 23.02 C ATOM 73 CG TRP A 5 -0.468 -15.317 -5.454 1.00 63.33 C ATOM 74 CD1 TRP A 5 -0.058 -16.457 -4.829 1.00 1.40 C ATOM 75 CD2 TRP A 5 -1.886 -15.451 -5.627 1.00 13.11 C ATOM 76 NE1 TRP A 5 -1.119 -17.289 -4.615 1.00 4.22 N ATOM 77 CE2 TRP A 5 -2.253 -16.697 -5.089 1.00 61.32 C ATOM 78 CE3 TRP A 5 -2.876 -14.643 -6.190 1.00 3.43 C ATOM 79 CZ2 TRP A 5 -3.564 -17.155 -5.091 1.00 33.23 C ATOM 80 CZ3 TRP A 5 -4.178 -15.096 -6.186 1.00 3.11 C ATOM 81 CH2 TRP A 5 -4.512 -16.343 -5.648 1.00 12.12 C ATOM 0 H TRP A 5 1.863 -12.586 -7.424 1.00 55.11 H new ATOM 0 HA TRP A 5 1.973 -15.434 -6.714 1.00 10.33 H new ATOM 0 HB2 TRP A 5 1.002 -13.816 -5.060 1.00 23.02 H new ATOM 0 HB3 TRP A 5 -0.208 -13.344 -6.236 1.00 23.02 H new ATOM 0 HD1 TRP A 5 0.961 -16.671 -4.544 1.00 1.40 H new ATOM 0 HE1 TRP A 5 -1.071 -18.206 -4.172 1.00 4.22 H new ATOM 0 HE3 TRP A 5 -2.627 -13.684 -6.619 1.00 3.43 H new ATOM 0 HZ2 TRP A 5 -3.824 -18.115 -4.669 1.00 33.23 H new ATOM 0 HZ3 TRP A 5 -4.956 -14.476 -6.607 1.00 3.11 H new ATOM 0 HH2 TRP A 5 -5.541 -16.671 -5.673 1.00 12.12 H new ATOM 92 N ARG A 6 0.346 -16.319 -8.458 1.00 10.42 N ATOM 93 CA ARG A 6 -0.525 -16.889 -9.506 1.00 53.23 C ATOM 94 C ARG A 6 -1.419 -18.018 -8.927 1.00 12.22 C ATOM 95 O ARG A 6 -1.171 -18.509 -7.820 1.00 51.22 O ATOM 96 CB ARG A 6 0.347 -17.356 -10.716 1.00 1.54 C ATOM 97 CG ARG A 6 1.451 -18.421 -10.425 1.00 71.13 C ATOM 98 CD ARG A 6 0.929 -19.868 -10.476 1.00 22.05 C ATOM 99 NE ARG A 6 1.989 -20.877 -10.320 1.00 33.43 N ATOM 100 CZ ARG A 6 1.794 -22.179 -10.339 1.00 34.02 C ATOM 101 NH1 ARG A 6 0.606 -22.685 -10.496 1.00 60.44 N ATOM 102 NH2 ARG A 6 2.793 -22.979 -10.216 1.00 2.11 N ATOM 0 H ARG A 6 0.797 -17.025 -7.876 1.00 10.42 H new ATOM 0 HA ARG A 6 -1.208 -16.124 -9.874 1.00 53.23 H new ATOM 0 HB2 ARG A 6 -0.320 -17.759 -11.478 1.00 1.54 H new ATOM 0 HB3 ARG A 6 0.829 -16.478 -11.146 1.00 1.54 H new ATOM 0 HG2 ARG A 6 2.256 -18.307 -11.150 1.00 71.13 H new ATOM 0 HG3 ARG A 6 1.879 -18.231 -9.441 1.00 71.13 H new ATOM 0 HD2 ARG A 6 0.187 -20.007 -9.690 1.00 22.05 H new ATOM 0 HD3 ARG A 6 0.420 -20.030 -11.426 1.00 22.05 H new ATOM 0 HE ARG A 6 2.944 -20.544 -10.188 1.00 33.43 H new ATOM 0 HH11 ARG A 6 -0.200 -22.070 -10.608 1.00 60.44 H new ATOM 0 HH12 ARG A 6 0.480 -23.697 -10.507 1.00 60.44 H new ATOM 0 HH21 ARG A 6 3.735 -22.605 -10.104 1.00 2.11 H new ATOM 0 HH22 ARG A 6 2.643 -23.988 -10.231 1.00 2.11 H new ATOM 116 N ALA A 7 -2.441 -18.443 -9.697 1.00 0.14 N ATOM 117 CA ALA A 7 -3.353 -19.538 -9.284 1.00 32.42 C ATOM 118 C ALA A 7 -2.614 -20.903 -9.307 1.00 14.21 C ATOM 119 O ALA A 7 -1.976 -21.252 -10.303 1.00 13.34 O ATOM 120 CB ALA A 7 -4.591 -19.567 -10.196 1.00 55.31 C ATOM 0 H ALA A 7 -2.659 -18.046 -10.611 1.00 0.14 H new ATOM 0 HA ALA A 7 -3.683 -19.353 -8.262 1.00 32.42 H new ATOM 0 HB1 ALA A 7 -5.254 -20.374 -9.884 1.00 55.31 H new ATOM 0 HB2 ALA A 7 -5.119 -18.616 -10.124 1.00 55.31 H new ATOM 0 HB3 ALA A 7 -4.279 -19.731 -11.227 1.00 55.31 H new ATOM 126 N GLY A 8 -2.732 -21.674 -8.216 1.00 23.22 N ATOM 127 CA GLY A 8 -1.956 -22.920 -8.039 1.00 51.33 C ATOM 128 C GLY A 8 -0.693 -22.755 -7.178 1.00 33.15 C ATOM 129 O GLY A 8 0.015 -23.739 -6.928 1.00 14.12 O ATOM 0 H GLY A 8 -3.357 -21.460 -7.439 1.00 23.22 H new ATOM 0 HA2 GLY A 8 -2.598 -23.674 -7.583 1.00 51.33 H new ATOM 0 HA3 GLY A 8 -1.668 -23.298 -9.020 1.00 51.33 H new ATOM 133 N ALA A 9 -0.389 -21.508 -6.751 1.00 4.13 N ATOM 134 CA ALA A 9 0.730 -21.219 -5.815 1.00 72.31 C ATOM 135 C ALA A 9 0.461 -21.793 -4.397 1.00 41.22 C ATOM 136 O ALA A 9 -0.689 -21.940 -3.980 1.00 5.31 O ATOM 137 CB ALA A 9 0.997 -19.708 -5.752 1.00 24.14 C ATOM 0 H ALA A 9 -0.906 -20.678 -7.041 1.00 4.13 H new ATOM 0 HA ALA A 9 1.620 -21.717 -6.199 1.00 72.31 H new ATOM 0 HB1 ALA A 9 1.819 -19.512 -5.063 1.00 24.14 H new ATOM 0 HB2 ALA A 9 1.261 -19.344 -6.745 1.00 24.14 H new ATOM 0 HB3 ALA A 9 0.101 -19.194 -5.404 1.00 24.14 H new ATOM 143 N SER A 10 1.542 -22.089 -3.659 1.00 55.23 N ATOM 144 CA SER A 10 1.471 -22.822 -2.365 1.00 3.34 C ATOM 145 C SER A 10 1.152 -21.890 -1.173 1.00 54.03 C ATOM 146 O SER A 10 1.356 -20.678 -1.249 1.00 44.43 O ATOM 147 CB SER A 10 2.806 -23.561 -2.111 1.00 41.22 C ATOM 148 OG SER A 10 3.098 -24.477 -3.156 1.00 61.32 O ATOM 0 H SER A 10 2.491 -21.833 -3.932 1.00 55.23 H new ATOM 0 HA SER A 10 0.653 -23.539 -2.442 1.00 3.34 H new ATOM 0 HB2 SER A 10 3.615 -22.835 -2.025 1.00 41.22 H new ATOM 0 HB3 SER A 10 2.754 -24.094 -1.162 1.00 41.22 H new ATOM 0 HG SER A 10 3.948 -24.927 -2.968 1.00 61.32 H new ATOM 154 N SER A 11 0.655 -22.491 -0.071 1.00 32.12 N ATOM 155 CA SER A 11 0.373 -21.784 1.209 1.00 4.44 C ATOM 156 C SER A 11 1.633 -21.079 1.763 1.00 44.14 C ATOM 157 O SER A 11 1.572 -19.925 2.205 1.00 65.41 O ATOM 158 CB SER A 11 -0.163 -22.791 2.258 1.00 13.44 C ATOM 159 OG SER A 11 0.762 -23.846 2.485 1.00 64.14 O ATOM 0 H SER A 11 0.435 -23.486 -0.038 1.00 32.12 H new ATOM 0 HA SER A 11 -0.379 -21.021 1.008 1.00 4.44 H new ATOM 0 HB2 SER A 11 -0.361 -22.271 3.195 1.00 13.44 H new ATOM 0 HB3 SER A 11 -1.112 -23.204 1.916 1.00 13.44 H new ATOM 0 HG SER A 11 0.396 -24.464 3.152 1.00 64.14 H new ATOM 165 N ASP A 12 2.760 -21.807 1.716 1.00 31.14 N ATOM 166 CA ASP A 12 4.097 -21.313 2.119 1.00 11.24 C ATOM 167 C ASP A 12 4.548 -20.115 1.234 1.00 54.32 C ATOM 168 O ASP A 12 5.148 -19.156 1.736 1.00 11.12 O ATOM 169 CB ASP A 12 5.103 -22.494 2.025 1.00 20.03 C ATOM 170 CG ASP A 12 6.548 -22.139 2.420 1.00 23.42 C ATOM 171 OD1 ASP A 12 6.884 -22.190 3.618 1.00 3.34 O ATOM 172 OD2 ASP A 12 7.364 -21.827 1.530 1.00 34.42 O ATOM 0 H ASP A 12 2.773 -22.774 1.392 1.00 31.14 H new ATOM 0 HA ASP A 12 4.058 -20.945 3.144 1.00 11.24 H new ATOM 0 HB2 ASP A 12 4.754 -23.303 2.666 1.00 20.03 H new ATOM 0 HB3 ASP A 12 5.103 -22.874 1.003 1.00 20.03 H new ATOM 177 N GLU A 13 4.238 -20.182 -0.083 1.00 2.04 N ATOM 178 CA GLU A 13 4.528 -19.081 -1.033 1.00 70.03 C ATOM 179 C GLU A 13 3.741 -17.802 -0.668 1.00 24.24 C ATOM 180 O GLU A 13 4.328 -16.729 -0.539 1.00 33.54 O ATOM 181 CB GLU A 13 4.193 -19.504 -2.490 1.00 55.32 C ATOM 182 CG GLU A 13 5.068 -20.639 -3.055 1.00 14.11 C ATOM 183 CD GLU A 13 6.562 -20.269 -3.134 1.00 61.21 C ATOM 184 OE1 GLU A 13 6.945 -19.498 -4.040 1.00 44.23 O ATOM 185 OE2 GLU A 13 7.355 -20.732 -2.287 1.00 43.13 O ATOM 0 H GLU A 13 3.786 -20.989 -0.512 1.00 2.04 H new ATOM 0 HA GLU A 13 5.594 -18.864 -0.962 1.00 70.03 H new ATOM 0 HB2 GLU A 13 3.149 -19.815 -2.531 1.00 55.32 H new ATOM 0 HB3 GLU A 13 4.292 -18.633 -3.137 1.00 55.32 H new ATOM 0 HG2 GLU A 13 4.952 -21.525 -2.430 1.00 14.11 H new ATOM 0 HG3 GLU A 13 4.712 -20.903 -4.051 1.00 14.11 H new ATOM 192 N ILE A 14 2.412 -17.947 -0.461 1.00 11.31 N ATOM 193 CA ILE A 14 1.520 -16.805 -0.130 1.00 33.32 C ATOM 194 C ILE A 14 1.897 -16.180 1.232 1.00 54.34 C ATOM 195 O ILE A 14 1.787 -14.976 1.416 1.00 1.31 O ATOM 196 CB ILE A 14 -0.005 -17.210 -0.123 1.00 31.45 C ATOM 197 CG1 ILE A 14 -0.386 -17.941 -1.447 1.00 73.30 C ATOM 198 CG2 ILE A 14 -0.908 -15.963 0.091 1.00 63.13 C ATOM 199 CD1 ILE A 14 -1.848 -18.346 -1.568 1.00 43.12 C ATOM 0 H ILE A 14 1.930 -18.844 -0.517 1.00 11.31 H new ATOM 0 HA ILE A 14 1.666 -16.067 -0.919 1.00 33.32 H new ATOM 0 HB ILE A 14 -0.169 -17.896 0.708 1.00 31.45 H new ATOM 0 HG12 ILE A 14 -0.135 -17.292 -2.286 1.00 73.30 H new ATOM 0 HG13 ILE A 14 0.231 -18.835 -1.540 1.00 73.30 H new ATOM 0 HG21 ILE A 14 -1.955 -16.268 0.092 1.00 63.13 H new ATOM 0 HG22 ILE A 14 -0.665 -15.497 1.046 1.00 63.13 H new ATOM 0 HG23 ILE A 14 -0.739 -15.249 -0.715 1.00 63.13 H new ATOM 0 HD11 ILE A 14 -2.009 -18.846 -2.523 1.00 43.12 H new ATOM 0 HD12 ILE A 14 -2.106 -19.024 -0.755 1.00 43.12 H new ATOM 0 HD13 ILE A 14 -2.477 -17.458 -1.513 1.00 43.12 H new ATOM 211 N ASN A 15 2.364 -17.024 2.163 1.00 45.43 N ATOM 212 CA ASN A 15 2.847 -16.588 3.492 1.00 71.41 C ATOM 213 C ASN A 15 4.093 -15.661 3.368 1.00 52.23 C ATOM 214 O ASN A 15 4.215 -14.659 4.088 1.00 61.25 O ATOM 215 CB ASN A 15 3.167 -17.839 4.343 1.00 3.31 C ATOM 216 CG ASN A 15 3.547 -17.502 5.782 1.00 55.12 C ATOM 217 OD1 ASN A 15 4.717 -17.365 6.117 1.00 10.44 O ATOM 218 ND2 ASN A 15 2.557 -17.343 6.638 1.00 51.04 N ATOM 0 H ASN A 15 2.420 -18.032 2.020 1.00 45.43 H new ATOM 0 HA ASN A 15 2.067 -16.005 3.982 1.00 71.41 H new ATOM 0 HB2 ASN A 15 2.300 -18.500 4.348 1.00 3.31 H new ATOM 0 HB3 ASN A 15 3.984 -18.389 3.877 1.00 3.31 H new ATOM 0 HD21 ASN A 15 2.756 -17.099 7.608 1.00 51.04 H new ATOM 0 HD22 ASN A 15 1.592 -17.464 6.330 1.00 51.04 H new ATOM 225 N ALA A 16 5.000 -16.016 2.436 1.00 51.12 N ATOM 226 CA ALA A 16 6.187 -15.193 2.098 1.00 70.14 C ATOM 227 C ALA A 16 5.790 -13.868 1.384 1.00 1.43 C ATOM 228 O ALA A 16 6.457 -12.841 1.549 1.00 31.33 O ATOM 229 CB ALA A 16 7.160 -16.006 1.228 1.00 45.02 C ATOM 0 H ALA A 16 4.934 -16.879 1.896 1.00 51.12 H new ATOM 0 HA ALA A 16 6.682 -14.921 3.031 1.00 70.14 H new ATOM 0 HB1 ALA A 16 8.029 -15.394 0.984 1.00 45.02 H new ATOM 0 HB2 ALA A 16 7.482 -16.893 1.774 1.00 45.02 H new ATOM 0 HB3 ALA A 16 6.660 -16.308 0.308 1.00 45.02 H new ATOM 235 N ILE A 17 4.700 -13.914 0.587 1.00 51.34 N ATOM 236 CA ILE A 17 4.127 -12.723 -0.101 1.00 13.33 C ATOM 237 C ILE A 17 3.543 -11.720 0.919 1.00 20.53 C ATOM 238 O ILE A 17 3.826 -10.525 0.846 1.00 20.13 O ATOM 239 CB ILE A 17 3.011 -13.151 -1.129 1.00 32.22 C ATOM 240 CG1 ILE A 17 3.612 -14.131 -2.177 1.00 72.33 C ATOM 241 CG2 ILE A 17 2.348 -11.929 -1.821 1.00 35.43 C ATOM 242 CD1 ILE A 17 2.623 -14.735 -3.151 1.00 30.12 C ATOM 0 H ILE A 17 4.188 -14.776 0.399 1.00 51.34 H new ATOM 0 HA ILE A 17 4.937 -12.236 -0.644 1.00 13.33 H new ATOM 0 HB ILE A 17 2.221 -13.658 -0.576 1.00 32.22 H new ATOM 0 HG12 ILE A 17 4.377 -13.602 -2.745 1.00 72.33 H new ATOM 0 HG13 ILE A 17 4.112 -14.941 -1.646 1.00 72.33 H new ATOM 0 HG21 ILE A 17 1.586 -12.275 -2.520 1.00 35.43 H new ATOM 0 HG22 ILE A 17 1.886 -11.291 -1.068 1.00 35.43 H new ATOM 0 HG23 ILE A 17 3.106 -11.362 -2.362 1.00 35.43 H new ATOM 0 HD11 ILE A 17 3.147 -15.401 -3.836 1.00 30.12 H new ATOM 0 HD12 ILE A 17 1.869 -15.299 -2.601 1.00 30.12 H new ATOM 0 HD13 ILE A 17 2.139 -13.940 -3.718 1.00 30.12 H new ATOM 254 N ILE A 18 2.745 -12.239 1.869 1.00 25.32 N ATOM 255 CA ILE A 18 2.191 -11.461 3.004 1.00 52.54 C ATOM 256 C ILE A 18 3.321 -10.702 3.747 1.00 44.43 C ATOM 257 O ILE A 18 3.249 -9.487 3.951 1.00 42.21 O ATOM 258 CB ILE A 18 1.447 -12.413 4.017 1.00 21.21 C ATOM 259 CG1 ILE A 18 0.190 -13.075 3.360 1.00 62.12 C ATOM 260 CG2 ILE A 18 1.070 -11.671 5.320 1.00 3.44 C ATOM 261 CD1 ILE A 18 -0.453 -14.181 4.192 1.00 31.34 C ATOM 0 H ILE A 18 2.461 -13.219 1.875 1.00 25.32 H new ATOM 0 HA ILE A 18 1.480 -10.740 2.602 1.00 52.54 H new ATOM 0 HB ILE A 18 2.141 -13.211 4.282 1.00 21.21 H new ATOM 0 HG12 ILE A 18 -0.554 -12.302 3.170 1.00 62.12 H new ATOM 0 HG13 ILE A 18 0.476 -13.486 2.392 1.00 62.12 H new ATOM 0 HG21 ILE A 18 0.559 -12.358 5.995 1.00 3.44 H new ATOM 0 HG22 ILE A 18 1.974 -11.296 5.800 1.00 3.44 H new ATOM 0 HG23 ILE A 18 0.411 -10.835 5.085 1.00 3.44 H new ATOM 0 HD11 ILE A 18 -1.316 -14.582 3.660 1.00 31.34 H new ATOM 0 HD12 ILE A 18 0.272 -14.978 4.361 1.00 31.34 H new ATOM 0 HD13 ILE A 18 -0.775 -13.775 5.151 1.00 31.34 H new ATOM 273 N ARG A 19 4.369 -11.457 4.100 1.00 62.31 N ATOM 274 CA ARG A 19 5.585 -10.938 4.755 1.00 11.43 C ATOM 275 C ARG A 19 6.248 -9.808 3.918 1.00 43.35 C ATOM 276 O ARG A 19 6.551 -8.737 4.449 1.00 50.03 O ATOM 277 CB ARG A 19 6.570 -12.128 4.961 1.00 33.44 C ATOM 278 CG ARG A 19 7.949 -11.780 5.566 1.00 63.10 C ATOM 279 CD ARG A 19 7.900 -11.449 7.068 1.00 31.01 C ATOM 280 NE ARG A 19 7.368 -12.549 7.892 1.00 21.34 N ATOM 281 CZ ARG A 19 7.114 -12.490 9.191 1.00 12.10 C ATOM 282 NH1 ARG A 19 7.346 -11.413 9.886 1.00 14.02 N ATOM 283 NH2 ARG A 19 6.614 -13.518 9.785 1.00 31.42 N ATOM 0 H ARG A 19 4.400 -12.463 3.937 1.00 62.31 H new ATOM 0 HA ARG A 19 5.320 -10.499 5.717 1.00 11.43 H new ATOM 0 HB2 ARG A 19 6.089 -12.862 5.607 1.00 33.44 H new ATOM 0 HB3 ARG A 19 6.731 -12.609 3.996 1.00 33.44 H new ATOM 0 HG2 ARG A 19 8.627 -12.619 5.410 1.00 63.10 H new ATOM 0 HG3 ARG A 19 8.367 -10.929 5.029 1.00 63.10 H new ATOM 0 HD2 ARG A 19 8.904 -11.201 7.411 1.00 31.01 H new ATOM 0 HD3 ARG A 19 7.284 -10.562 7.217 1.00 31.01 H new ATOM 0 HE ARG A 19 7.179 -13.434 7.421 1.00 21.34 H new ATOM 0 HH11 ARG A 19 7.733 -10.586 9.431 1.00 14.02 H new ATOM 0 HH12 ARG A 19 7.140 -11.397 10.885 1.00 14.02 H new ATOM 0 HH21 ARG A 19 6.417 -14.367 9.256 1.00 31.42 H new ATOM 0 HH22 ARG A 19 6.415 -13.483 10.785 1.00 31.42 H new ATOM 297 N ALA A 20 6.412 -10.050 2.602 1.00 11.40 N ATOM 298 CA ALA A 20 7.070 -9.100 1.666 1.00 34.40 C ATOM 299 C ALA A 20 6.309 -7.751 1.554 1.00 54.42 C ATOM 300 O ALA A 20 6.926 -6.676 1.593 1.00 13.10 O ATOM 301 CB ALA A 20 7.211 -9.752 0.279 1.00 31.13 C ATOM 0 H ALA A 20 6.094 -10.908 2.152 1.00 11.40 H new ATOM 0 HA ALA A 20 8.057 -8.873 2.070 1.00 34.40 H new ATOM 0 HB1 ALA A 20 7.693 -9.053 -0.404 1.00 31.13 H new ATOM 0 HB2 ALA A 20 7.816 -10.655 0.361 1.00 31.13 H new ATOM 0 HB3 ALA A 20 6.224 -10.010 -0.104 1.00 31.13 H new ATOM 307 N VAL A 21 4.966 -7.837 1.447 1.00 12.12 N ATOM 308 CA VAL A 21 4.079 -6.654 1.351 1.00 10.12 C ATOM 309 C VAL A 21 4.138 -5.830 2.657 1.00 34.22 C ATOM 310 O VAL A 21 4.464 -4.648 2.642 1.00 13.11 O ATOM 311 CB VAL A 21 2.583 -7.078 1.078 1.00 34.42 C ATOM 312 CG1 VAL A 21 1.630 -5.856 1.069 1.00 65.51 C ATOM 313 CG2 VAL A 21 2.452 -7.888 -0.236 1.00 5.50 C ATOM 0 H VAL A 21 4.465 -8.725 1.425 1.00 12.12 H new ATOM 0 HA VAL A 21 4.431 -6.049 0.516 1.00 10.12 H new ATOM 0 HB VAL A 21 2.283 -7.725 1.902 1.00 34.42 H new ATOM 0 HG11 VAL A 21 0.611 -6.191 0.878 1.00 65.51 H new ATOM 0 HG12 VAL A 21 1.672 -5.355 2.036 1.00 65.51 H new ATOM 0 HG13 VAL A 21 1.936 -5.161 0.287 1.00 65.51 H new ATOM 0 HG21 VAL A 21 1.409 -8.163 -0.392 1.00 5.50 H new ATOM 0 HG22 VAL A 21 2.796 -7.281 -1.073 1.00 5.50 H new ATOM 0 HG23 VAL A 21 3.059 -8.791 -0.169 1.00 5.50 H new ATOM 323 N TYR A 22 3.883 -6.517 3.776 1.00 3.34 N ATOM 324 CA TYR A 22 3.813 -5.916 5.123 1.00 72.41 C ATOM 325 C TYR A 22 5.128 -5.186 5.544 1.00 63.32 C ATOM 326 O TYR A 22 5.067 -4.088 6.104 1.00 51.35 O ATOM 327 CB TYR A 22 3.454 -7.013 6.159 1.00 73.23 C ATOM 328 CG TYR A 22 1.975 -7.158 6.531 1.00 15.04 C ATOM 329 CD1 TYR A 22 1.422 -6.386 7.561 1.00 22.30 C ATOM 330 CD2 TYR A 22 1.150 -8.076 5.893 1.00 34.43 C ATOM 331 CE1 TYR A 22 0.100 -6.526 7.933 1.00 21.02 C ATOM 332 CE2 TYR A 22 -0.173 -8.221 6.265 1.00 21.12 C ATOM 333 CZ TYR A 22 -0.692 -7.447 7.284 1.00 13.05 C ATOM 334 OH TYR A 22 -2.006 -7.601 7.655 1.00 43.33 O ATOM 0 H TYR A 22 3.716 -7.523 3.777 1.00 3.34 H new ATOM 0 HA TYR A 22 3.036 -5.152 5.093 1.00 72.41 H new ATOM 0 HB2 TYR A 22 3.802 -7.971 5.773 1.00 73.23 H new ATOM 0 HB3 TYR A 22 4.015 -6.814 7.072 1.00 73.23 H new ATOM 0 HD1 TYR A 22 2.043 -5.667 8.074 1.00 22.30 H new ATOM 0 HD2 TYR A 22 1.548 -8.685 5.095 1.00 34.43 H new ATOM 0 HE1 TYR A 22 -0.310 -5.918 8.726 1.00 21.02 H new ATOM 0 HE2 TYR A 22 -0.801 -8.939 5.759 1.00 21.12 H new ATOM 0 HH TYR A 22 -2.153 -8.519 7.964 1.00 43.33 H new ATOM 344 N ARG A 23 6.305 -5.822 5.306 1.00 15.31 N ATOM 345 CA ARG A 23 7.627 -5.220 5.660 1.00 13.33 C ATOM 346 C ARG A 23 7.867 -3.903 4.897 1.00 1.22 C ATOM 347 O ARG A 23 8.338 -2.922 5.471 1.00 43.51 O ATOM 348 CB ARG A 23 8.818 -6.185 5.373 1.00 43.43 C ATOM 349 CG ARG A 23 8.848 -7.480 6.217 1.00 75.40 C ATOM 350 CD ARG A 23 10.167 -8.282 6.074 1.00 51.03 C ATOM 351 NE ARG A 23 11.261 -7.728 6.908 1.00 31.21 N ATOM 352 CZ ARG A 23 12.201 -6.890 6.517 1.00 2.45 C ATOM 353 NH1 ARG A 23 12.226 -6.403 5.310 1.00 21.41 N ATOM 354 NH2 ARG A 23 13.108 -6.523 7.361 1.00 54.03 N ATOM 0 H ARG A 23 6.370 -6.744 4.874 1.00 15.31 H new ATOM 0 HA ARG A 23 7.586 -5.025 6.732 1.00 13.33 H new ATOM 0 HB2 ARG A 23 8.793 -6.460 4.319 1.00 43.43 H new ATOM 0 HB3 ARG A 23 9.749 -5.643 5.539 1.00 43.43 H new ATOM 0 HG2 ARG A 23 8.700 -7.224 7.266 1.00 75.40 H new ATOM 0 HG3 ARG A 23 8.012 -8.115 5.923 1.00 75.40 H new ATOM 0 HD2 ARG A 23 9.990 -9.320 6.355 1.00 51.03 H new ATOM 0 HD3 ARG A 23 10.476 -8.283 5.029 1.00 51.03 H new ATOM 0 HE ARG A 23 11.289 -8.025 7.883 1.00 31.21 H new ATOM 0 HH11 ARG A 23 11.506 -6.668 4.638 1.00 21.41 H new ATOM 0 HH12 ARG A 23 12.966 -5.757 5.036 1.00 21.41 H new ATOM 0 HH21 ARG A 23 13.091 -6.881 8.316 1.00 54.03 H new ATOM 0 HH22 ARG A 23 13.841 -5.875 7.072 1.00 54.03 H new ATOM 368 N GLN A 24 7.541 -3.905 3.598 1.00 20.31 N ATOM 369 CA GLN A 24 7.729 -2.729 2.731 1.00 31.32 C ATOM 370 C GLN A 24 6.722 -1.596 3.058 1.00 30.14 C ATOM 371 O GLN A 24 7.109 -0.424 3.103 1.00 72.45 O ATOM 372 CB GLN A 24 7.628 -3.133 1.242 1.00 42.15 C ATOM 373 CG GLN A 24 7.727 -1.942 0.265 1.00 24.03 C ATOM 374 CD GLN A 24 7.783 -2.353 -1.194 1.00 2.14 C ATOM 375 OE1 GLN A 24 8.318 -3.402 -1.537 1.00 42.34 O ATOM 376 NE2 GLN A 24 7.239 -1.523 -2.068 1.00 33.30 N ATOM 0 H GLN A 24 7.143 -4.713 3.119 1.00 20.31 H new ATOM 0 HA GLN A 24 8.728 -2.339 2.925 1.00 31.32 H new ATOM 0 HB2 GLN A 24 8.421 -3.845 1.014 1.00 42.15 H new ATOM 0 HB3 GLN A 24 6.681 -3.647 1.078 1.00 42.15 H new ATOM 0 HG2 GLN A 24 6.869 -1.287 0.416 1.00 24.03 H new ATOM 0 HG3 GLN A 24 8.617 -1.361 0.504 1.00 24.03 H new ATOM 0 HE21 GLN A 24 6.802 -0.659 -1.747 1.00 33.30 H new ATOM 0 HE22 GLN A 24 7.256 -1.747 -3.063 1.00 33.30 H new ATOM 385 N VAL A 25 5.444 -1.958 3.296 1.00 53.43 N ATOM 386 CA VAL A 25 4.378 -0.974 3.584 1.00 31.22 C ATOM 387 C VAL A 25 4.612 -0.286 4.953 1.00 35.40 C ATOM 388 O VAL A 25 4.476 0.924 5.061 1.00 33.11 O ATOM 389 CB VAL A 25 2.937 -1.614 3.514 1.00 43.14 C ATOM 390 CG1 VAL A 25 1.836 -0.620 3.965 1.00 13.44 C ATOM 391 CG2 VAL A 25 2.631 -2.141 2.085 1.00 54.11 C ATOM 0 H VAL A 25 5.124 -2.927 3.294 1.00 53.43 H new ATOM 0 HA VAL A 25 4.428 -0.215 2.804 1.00 31.22 H new ATOM 0 HB VAL A 25 2.930 -2.454 4.208 1.00 43.14 H new ATOM 0 HG11 VAL A 25 0.861 -1.103 3.901 1.00 13.44 H new ATOM 0 HG12 VAL A 25 2.022 -0.314 4.994 1.00 13.44 H new ATOM 0 HG13 VAL A 25 1.850 0.257 3.317 1.00 13.44 H new ATOM 0 HG21 VAL A 25 1.632 -2.577 2.064 1.00 54.11 H new ATOM 0 HG22 VAL A 25 2.682 -1.316 1.374 1.00 54.11 H new ATOM 0 HG23 VAL A 25 3.364 -2.900 1.812 1.00 54.11 H new ATOM 401 N LEU A 26 5.005 -1.054 5.984 1.00 13.33 N ATOM 402 CA LEU A 26 5.292 -0.483 7.325 1.00 71.33 C ATOM 403 C LEU A 26 6.794 -0.095 7.443 1.00 71.41 C ATOM 404 O LEU A 26 7.142 1.084 7.303 1.00 44.35 O ATOM 405 CB LEU A 26 4.843 -1.444 8.472 1.00 72.21 C ATOM 406 CG LEU A 26 3.290 -1.596 8.689 1.00 50.14 C ATOM 407 CD1 LEU A 26 2.603 -2.395 7.560 1.00 21.01 C ATOM 408 CD2 LEU A 26 2.966 -2.202 10.074 1.00 4.55 C ATOM 0 H LEU A 26 5.132 -2.064 5.923 1.00 13.33 H new ATOM 0 HA LEU A 26 4.703 0.428 7.438 1.00 71.33 H new ATOM 0 HB2 LEU A 26 5.259 -2.432 8.273 1.00 72.21 H new ATOM 0 HB3 LEU A 26 5.286 -1.094 9.404 1.00 72.21 H new ATOM 0 HG LEU A 26 2.879 -0.587 8.655 1.00 50.14 H new ATOM 0 HD11 LEU A 26 1.535 -2.467 7.764 1.00 21.01 H new ATOM 0 HD12 LEU A 26 2.758 -1.886 6.608 1.00 21.01 H new ATOM 0 HD13 LEU A 26 3.031 -3.396 7.510 1.00 21.01 H new ATOM 0 HD21 LEU A 26 1.886 -2.292 10.188 1.00 4.55 H new ATOM 0 HD22 LEU A 26 3.423 -3.188 10.155 1.00 4.55 H new ATOM 0 HD23 LEU A 26 3.361 -1.554 10.856 1.00 4.55 H new ATOM 420 N GLY A 27 7.685 -1.090 7.659 1.00 13.43 N ATOM 421 CA GLY A 27 9.126 -0.817 7.836 1.00 43.21 C ATOM 422 C GLY A 27 9.910 -1.993 8.436 1.00 23.04 C ATOM 423 O GLY A 27 10.068 -3.039 7.795 1.00 53.52 O ATOM 0 H GLY A 27 7.434 -2.077 7.714 1.00 13.43 H new ATOM 0 HA2 GLY A 27 9.559 -0.559 6.869 1.00 43.21 H new ATOM 0 HA3 GLY A 27 9.245 0.054 8.481 1.00 43.21 H new ATOM 427 N ASN A 28 10.386 -1.819 9.686 1.00 61.04 N ATOM 428 CA ASN A 28 11.278 -2.782 10.375 1.00 70.24 C ATOM 429 C ASN A 28 10.521 -4.072 10.778 1.00 52.42 C ATOM 430 O ASN A 28 9.961 -4.150 11.878 1.00 32.20 O ATOM 431 CB ASN A 28 11.912 -2.115 11.632 1.00 42.31 C ATOM 432 CG ASN A 28 12.981 -2.983 12.320 1.00 35.44 C ATOM 433 OD1 ASN A 28 13.746 -3.688 11.664 1.00 0.53 O ATOM 434 ND2 ASN A 28 13.035 -2.954 13.641 1.00 74.12 N ATOM 0 H ASN A 28 10.162 -1.001 10.252 1.00 61.04 H new ATOM 0 HA ASN A 28 12.068 -3.065 9.679 1.00 70.24 H new ATOM 0 HB2 ASN A 28 12.360 -1.165 11.341 1.00 42.31 H new ATOM 0 HB3 ASN A 28 11.123 -1.889 12.349 1.00 42.31 H new ATOM 0 HD21 ASN A 28 13.721 -3.524 14.136 1.00 74.12 H new ATOM 0 HD22 ASN A 28 12.391 -2.362 14.165 1.00 74.12 H new ATOM 441 N ASP A 29 10.456 -5.041 9.834 1.00 35.42 N ATOM 442 CA ASP A 29 9.834 -6.381 10.043 1.00 35.33 C ATOM 443 C ASP A 29 8.347 -6.318 10.512 1.00 73.02 C ATOM 444 O ASP A 29 7.795 -7.325 10.969 1.00 3.41 O ATOM 445 CB ASP A 29 10.716 -7.226 11.005 1.00 14.12 C ATOM 446 CG ASP A 29 12.112 -7.490 10.417 1.00 23.10 C ATOM 447 OD1 ASP A 29 13.020 -6.649 10.596 1.00 11.11 O ATOM 448 OD2 ASP A 29 12.297 -8.510 9.725 1.00 22.21 O ATOM 0 H ASP A 29 10.836 -4.918 8.895 1.00 35.42 H new ATOM 0 HA ASP A 29 9.795 -6.874 9.071 1.00 35.33 H new ATOM 0 HB2 ASP A 29 10.815 -6.706 11.958 1.00 14.12 H new ATOM 0 HB3 ASP A 29 10.223 -8.176 11.210 1.00 14.12 H new ATOM 453 N TYR A 30 7.722 -5.131 10.315 1.00 13.20 N ATOM 454 CA TYR A 30 6.299 -4.802 10.611 1.00 34.53 C ATOM 455 C TYR A 30 5.732 -5.307 11.975 1.00 32.32 C ATOM 456 O TYR A 30 6.458 -5.727 12.880 1.00 2.21 O ATOM 457 CB TYR A 30 5.380 -5.213 9.422 1.00 50.13 C ATOM 458 CG TYR A 30 5.187 -6.725 9.186 1.00 31.44 C ATOM 459 CD1 TYR A 30 6.060 -7.427 8.365 1.00 63.04 C ATOM 460 CD2 TYR A 30 4.100 -7.429 9.729 1.00 33.43 C ATOM 461 CE1 TYR A 30 5.873 -8.756 8.096 1.00 32.23 C ATOM 462 CE2 TYR A 30 3.906 -8.767 9.445 1.00 14.04 C ATOM 463 CZ TYR A 30 4.799 -9.420 8.628 1.00 62.32 C ATOM 464 OH TYR A 30 4.604 -10.739 8.311 1.00 33.43 O ATOM 0 H TYR A 30 8.221 -4.332 9.924 1.00 13.20 H new ATOM 0 HA TYR A 30 6.297 -3.718 10.729 1.00 34.53 H new ATOM 0 HB2 TYR A 30 4.399 -4.765 9.580 1.00 50.13 H new ATOM 0 HB3 TYR A 30 5.787 -4.776 8.510 1.00 50.13 H new ATOM 0 HD1 TYR A 30 6.904 -6.913 7.930 1.00 63.04 H new ATOM 0 HD2 TYR A 30 3.405 -6.917 10.378 1.00 33.43 H new ATOM 0 HE1 TYR A 30 6.573 -9.282 7.464 1.00 32.23 H new ATOM 0 HE2 TYR A 30 3.061 -9.295 9.861 1.00 14.04 H new ATOM 0 HH TYR A 30 3.734 -10.845 7.873 1.00 33.43 H new ATOM 474 N VAL A 31 4.396 -5.192 12.101 1.00 25.44 N ATOM 475 CA VAL A 31 3.626 -5.567 13.299 1.00 15.35 C ATOM 476 C VAL A 31 3.008 -6.996 13.151 1.00 63.53 C ATOM 477 O VAL A 31 1.998 -7.186 12.466 1.00 45.23 O ATOM 478 CB VAL A 31 2.511 -4.477 13.548 1.00 64.10 C ATOM 479 CG1 VAL A 31 1.613 -4.827 14.750 1.00 30.24 C ATOM 480 CG2 VAL A 31 3.159 -3.069 13.707 1.00 61.10 C ATOM 0 H VAL A 31 3.809 -4.826 11.352 1.00 25.44 H new ATOM 0 HA VAL A 31 4.291 -5.603 14.162 1.00 15.35 H new ATOM 0 HB VAL A 31 1.860 -4.460 12.674 1.00 64.10 H new ATOM 0 HG11 VAL A 31 0.862 -4.048 14.882 1.00 30.24 H new ATOM 0 HG12 VAL A 31 1.119 -5.781 14.569 1.00 30.24 H new ATOM 0 HG13 VAL A 31 2.223 -4.899 15.651 1.00 30.24 H new ATOM 0 HG21 VAL A 31 2.379 -2.327 13.878 1.00 61.10 H new ATOM 0 HG22 VAL A 31 3.844 -3.077 14.555 1.00 61.10 H new ATOM 0 HG23 VAL A 31 3.708 -2.816 12.800 1.00 61.10 H new ATOM 490 N MET A 32 3.679 -8.001 13.753 1.00 41.30 N ATOM 491 CA MET A 32 3.169 -9.407 13.855 1.00 54.35 C ATOM 492 C MET A 32 3.312 -9.952 15.309 1.00 15.02 C ATOM 493 O MET A 32 2.713 -10.971 15.672 1.00 11.32 O ATOM 494 CB MET A 32 3.908 -10.322 12.831 1.00 52.13 C ATOM 495 CG MET A 32 3.529 -11.821 12.892 1.00 22.33 C ATOM 496 SD MET A 32 4.373 -12.850 11.664 1.00 34.44 S ATOM 497 CE MET A 32 3.277 -12.743 10.246 1.00 13.20 C ATOM 0 H MET A 32 4.593 -7.871 14.187 1.00 41.30 H new ATOM 0 HA MET A 32 2.107 -9.409 13.611 1.00 54.35 H new ATOM 0 HB2 MET A 32 3.704 -9.953 11.826 1.00 52.13 H new ATOM 0 HB3 MET A 32 4.982 -10.228 12.994 1.00 52.13 H new ATOM 0 HG2 MET A 32 3.757 -12.202 13.887 1.00 22.33 H new ATOM 0 HG3 MET A 32 2.452 -11.918 12.753 1.00 22.33 H new ATOM 0 HE1 MET A 32 3.836 -12.963 9.337 1.00 13.20 H new ATOM 0 HE2 MET A 32 2.467 -13.464 10.357 1.00 13.20 H new ATOM 0 HE3 MET A 32 2.862 -11.737 10.182 1.00 13.20 H new ATOM 507 N SER A 33 4.050 -9.217 16.171 1.00 65.32 N ATOM 508 CA SER A 33 4.237 -9.583 17.610 1.00 44.32 C ATOM 509 C SER A 33 2.962 -9.266 18.466 1.00 31.24 C ATOM 510 O SER A 33 2.986 -9.344 19.696 1.00 54.43 O ATOM 511 CB SER A 33 5.477 -8.834 18.169 1.00 61.02 C ATOM 512 OG SER A 33 5.790 -9.237 19.496 1.00 42.51 O ATOM 0 H SER A 33 4.532 -8.360 15.901 1.00 65.32 H new ATOM 0 HA SER A 33 4.399 -10.659 17.674 1.00 44.32 H new ATOM 0 HB2 SER A 33 6.334 -9.020 17.522 1.00 61.02 H new ATOM 0 HB3 SER A 33 5.290 -7.760 18.151 1.00 61.02 H new ATOM 0 HG SER A 33 4.961 -9.371 20.001 1.00 42.51 H new ATOM 518 N THR A 34 1.844 -8.947 17.776 1.00 33.42 N ATOM 519 CA THR A 34 0.547 -8.537 18.371 1.00 11.25 C ATOM 520 C THR A 34 -0.550 -8.584 17.258 1.00 1.25 C ATOM 521 O THR A 34 -0.291 -9.124 16.180 1.00 5.33 O ATOM 522 CB THR A 34 0.669 -7.098 18.999 1.00 30.21 C ATOM 523 OG1 THR A 34 -0.570 -6.674 19.583 1.00 64.30 O ATOM 524 CG2 THR A 34 1.129 -6.066 17.960 1.00 25.15 C ATOM 0 H THR A 34 1.816 -8.968 16.757 1.00 33.42 H new ATOM 0 HA THR A 34 0.267 -9.220 19.173 1.00 11.25 H new ATOM 0 HB THR A 34 1.423 -7.162 19.784 1.00 30.21 H new ATOM 0 HG1 THR A 34 -0.462 -5.778 19.966 1.00 64.30 H new ATOM 0 HG21 THR A 34 1.202 -5.085 18.429 1.00 25.15 H new ATOM 0 HG22 THR A 34 2.104 -6.354 17.568 1.00 25.15 H new ATOM 0 HG23 THR A 34 0.408 -6.025 17.144 1.00 25.15 H new ATOM 532 N GLU A 35 -1.757 -8.042 17.525 1.00 25.34 N ATOM 533 CA GLU A 35 -2.877 -7.963 16.541 1.00 1.41 C ATOM 534 C GLU A 35 -2.449 -7.369 15.161 1.00 64.41 C ATOM 535 O GLU A 35 -1.716 -6.381 15.101 1.00 53.25 O ATOM 536 CB GLU A 35 -4.000 -7.097 17.167 1.00 2.04 C ATOM 537 CG GLU A 35 -5.254 -6.903 16.293 1.00 43.13 C ATOM 538 CD GLU A 35 -6.334 -6.038 16.965 1.00 42.42 C ATOM 539 OE1 GLU A 35 -6.253 -4.792 16.881 1.00 44.01 O ATOM 540 OE2 GLU A 35 -7.267 -6.597 17.589 1.00 73.42 O ATOM 0 H GLU A 35 -1.991 -7.642 18.433 1.00 25.34 H new ATOM 0 HA GLU A 35 -3.220 -8.977 16.336 1.00 1.41 H new ATOM 0 HB2 GLU A 35 -4.303 -7.552 18.110 1.00 2.04 H new ATOM 0 HB3 GLU A 35 -3.589 -6.116 17.404 1.00 2.04 H new ATOM 0 HG2 GLU A 35 -4.963 -6.441 15.349 1.00 43.13 H new ATOM 0 HG3 GLU A 35 -5.676 -7.879 16.054 1.00 43.13 H new ATOM 547 N ARG A 36 -2.908 -8.020 14.072 1.00 24.24 N ATOM 548 CA ARG A 36 -2.694 -7.566 12.674 1.00 54.51 C ATOM 549 C ARG A 36 -3.937 -7.937 11.807 1.00 43.02 C ATOM 550 O ARG A 36 -4.951 -8.411 12.342 1.00 40.22 O ATOM 551 CB ARG A 36 -1.380 -8.184 12.100 1.00 33.22 C ATOM 552 CG ARG A 36 -1.441 -9.709 11.860 1.00 5.41 C ATOM 553 CD ARG A 36 -0.091 -10.320 11.416 1.00 21.53 C ATOM 554 NE ARG A 36 -0.287 -11.591 10.694 1.00 25.32 N ATOM 555 CZ ARG A 36 -0.173 -12.806 11.176 1.00 60.34 C ATOM 556 NH1 ARG A 36 0.171 -13.028 12.399 1.00 64.35 N ATOM 557 NH2 ARG A 36 -0.411 -13.806 10.399 1.00 62.35 N ATOM 0 H ARG A 36 -3.444 -8.886 14.135 1.00 24.24 H new ATOM 0 HA ARG A 36 -2.580 -6.482 12.653 1.00 54.51 H new ATOM 0 HB2 ARG A 36 -1.142 -7.690 11.158 1.00 33.22 H new ATOM 0 HB3 ARG A 36 -0.562 -7.970 12.788 1.00 33.22 H new ATOM 0 HG2 ARG A 36 -1.769 -10.200 12.776 1.00 5.41 H new ATOM 0 HG3 ARG A 36 -2.193 -9.919 11.099 1.00 5.41 H new ATOM 0 HD2 ARG A 36 0.437 -9.613 10.775 1.00 21.53 H new ATOM 0 HD3 ARG A 36 0.538 -10.489 12.290 1.00 21.53 H new ATOM 0 HE ARG A 36 -0.540 -11.517 9.709 1.00 25.32 H new ATOM 0 HH11 ARG A 36 0.364 -12.246 13.024 1.00 64.35 H new ATOM 0 HH12 ARG A 36 0.250 -13.986 12.741 1.00 64.35 H new ATOM 0 HH21 ARG A 36 -0.682 -13.645 9.429 1.00 62.35 H new ATOM 0 HH22 ARG A 36 -0.328 -14.759 10.754 1.00 62.35 H new ATOM 571 N LEU A 37 -3.870 -7.728 10.472 1.00 44.21 N ATOM 572 CA LEU A 37 -5.024 -7.978 9.557 1.00 52.11 C ATOM 573 C LEU A 37 -4.996 -9.419 9.004 1.00 74.12 C ATOM 574 O LEU A 37 -4.948 -9.632 7.782 1.00 21.31 O ATOM 575 CB LEU A 37 -5.090 -6.938 8.389 1.00 65.24 C ATOM 576 CG LEU A 37 -5.262 -5.439 8.785 1.00 33.02 C ATOM 577 CD1 LEU A 37 -3.974 -4.874 9.409 1.00 43.42 C ATOM 578 CD2 LEU A 37 -5.715 -4.587 7.573 1.00 72.25 C ATOM 0 H LEU A 37 -3.033 -7.387 9.998 1.00 44.21 H new ATOM 0 HA LEU A 37 -5.929 -7.855 10.152 1.00 52.11 H new ATOM 0 HB2 LEU A 37 -4.177 -7.030 7.801 1.00 65.24 H new ATOM 0 HB3 LEU A 37 -5.919 -7.213 7.737 1.00 65.24 H new ATOM 0 HG LEU A 37 -6.046 -5.387 9.540 1.00 33.02 H new ATOM 0 HD11 LEU A 37 -4.127 -3.828 9.674 1.00 43.42 H new ATOM 0 HD12 LEU A 37 -3.724 -5.442 10.305 1.00 43.42 H new ATOM 0 HD13 LEU A 37 -3.158 -4.951 8.691 1.00 43.42 H new ATOM 0 HD21 LEU A 37 -5.826 -3.547 7.880 1.00 72.25 H new ATOM 0 HD22 LEU A 37 -4.968 -4.654 6.782 1.00 72.25 H new ATOM 0 HD23 LEU A 37 -6.670 -4.960 7.203 1.00 72.25 H new ATOM 590 N THR A 38 -5.050 -10.405 9.925 1.00 64.42 N ATOM 591 CA THR A 38 -5.081 -11.851 9.576 1.00 52.43 C ATOM 592 C THR A 38 -6.262 -12.213 8.638 1.00 11.43 C ATOM 593 O THR A 38 -6.154 -13.133 7.831 1.00 10.13 O ATOM 594 CB THR A 38 -5.145 -12.745 10.860 1.00 3.12 C ATOM 595 OG1 THR A 38 -6.310 -12.407 11.634 1.00 14.04 O ATOM 596 CG2 THR A 38 -3.884 -12.590 11.733 1.00 30.14 C ATOM 0 H THR A 38 -5.073 -10.227 10.929 1.00 64.42 H new ATOM 0 HA THR A 38 -4.152 -12.050 9.041 1.00 52.43 H new ATOM 0 HB THR A 38 -5.201 -13.784 10.534 1.00 3.12 H new ATOM 0 HG1 THR A 38 -6.345 -12.971 12.435 1.00 14.04 H new ATOM 0 HG21 THR A 38 -3.970 -13.227 12.613 1.00 30.14 H new ATOM 0 HG22 THR A 38 -3.005 -12.882 11.158 1.00 30.14 H new ATOM 0 HG23 THR A 38 -3.784 -11.551 12.046 1.00 30.14 H new ATOM 604 N SER A 39 -7.386 -11.474 8.763 1.00 23.45 N ATOM 605 CA SER A 39 -8.583 -11.651 7.894 1.00 10.51 C ATOM 606 C SER A 39 -8.282 -11.311 6.406 1.00 23.42 C ATOM 607 O SER A 39 -8.671 -12.060 5.501 1.00 75.04 O ATOM 608 CB SER A 39 -9.749 -10.776 8.409 1.00 62.23 C ATOM 609 OG SER A 39 -10.923 -10.945 7.628 1.00 25.10 O ATOM 0 H SER A 39 -7.495 -10.740 9.463 1.00 23.45 H new ATOM 0 HA SER A 39 -8.866 -12.703 7.941 1.00 10.51 H new ATOM 0 HB2 SER A 39 -9.964 -11.031 9.447 1.00 62.23 H new ATOM 0 HB3 SER A 39 -9.451 -9.728 8.394 1.00 62.23 H new ATOM 0 HG SER A 39 -11.638 -10.377 7.985 1.00 25.10 H new ATOM 615 N ALA A 40 -7.578 -10.184 6.173 1.00 33.42 N ATOM 616 CA ALA A 40 -7.152 -9.756 4.808 1.00 43.34 C ATOM 617 C ALA A 40 -6.148 -10.764 4.191 1.00 54.14 C ATOM 618 O ALA A 40 -6.202 -11.079 2.996 1.00 64.22 O ATOM 619 CB ALA A 40 -6.534 -8.347 4.864 1.00 44.40 C ATOM 0 H ALA A 40 -7.287 -9.545 6.913 1.00 33.42 H new ATOM 0 HA ALA A 40 -8.035 -9.731 4.169 1.00 43.34 H new ATOM 0 HB1 ALA A 40 -6.227 -8.044 3.863 1.00 44.40 H new ATOM 0 HB2 ALA A 40 -7.272 -7.641 5.246 1.00 44.40 H new ATOM 0 HB3 ALA A 40 -5.666 -8.356 5.523 1.00 44.40 H new ATOM 625 N GLU A 41 -5.234 -11.252 5.044 1.00 43.32 N ATOM 626 CA GLU A 41 -4.261 -12.322 4.714 1.00 61.04 C ATOM 627 C GLU A 41 -4.954 -13.651 4.331 1.00 53.52 C ATOM 628 O GLU A 41 -4.486 -14.370 3.444 1.00 52.01 O ATOM 629 CB GLU A 41 -3.338 -12.537 5.932 1.00 51.25 C ATOM 630 CG GLU A 41 -2.505 -11.293 6.303 1.00 3.12 C ATOM 631 CD GLU A 41 -1.788 -11.417 7.654 1.00 23.55 C ATOM 632 OE1 GLU A 41 -1.074 -12.422 7.869 1.00 51.34 O ATOM 633 OE2 GLU A 41 -1.920 -10.505 8.497 1.00 22.53 O ATOM 0 H GLU A 41 -5.143 -10.912 6.001 1.00 43.32 H new ATOM 0 HA GLU A 41 -3.685 -12.007 3.844 1.00 61.04 H new ATOM 0 HB2 GLU A 41 -3.944 -12.827 6.790 1.00 51.25 H new ATOM 0 HB3 GLU A 41 -2.663 -13.367 5.724 1.00 51.25 H new ATOM 0 HG2 GLU A 41 -1.765 -11.115 5.523 1.00 3.12 H new ATOM 0 HG3 GLU A 41 -3.159 -10.421 6.326 1.00 3.12 H new ATOM 640 N SER A 42 -6.072 -13.961 5.021 1.00 1.11 N ATOM 641 CA SER A 42 -6.914 -15.153 4.730 1.00 63.34 C ATOM 642 C SER A 42 -7.571 -15.056 3.334 1.00 5.32 C ATOM 643 O SER A 42 -7.738 -16.065 2.648 1.00 52.31 O ATOM 644 CB SER A 42 -8.013 -15.322 5.808 1.00 31.45 C ATOM 645 OG SER A 42 -7.457 -15.517 7.098 1.00 42.13 O ATOM 0 H SER A 42 -6.421 -13.396 5.796 1.00 1.11 H new ATOM 0 HA SER A 42 -6.258 -16.023 4.743 1.00 63.34 H new ATOM 0 HB2 SER A 42 -8.653 -14.439 5.817 1.00 31.45 H new ATOM 0 HB3 SER A 42 -8.646 -16.172 5.552 1.00 31.45 H new ATOM 0 HG SER A 42 -7.007 -14.696 7.388 1.00 42.13 H new ATOM 651 N LEU A 43 -7.931 -13.824 2.931 1.00 2.05 N ATOM 652 CA LEU A 43 -8.522 -13.546 1.604 1.00 34.44 C ATOM 653 C LEU A 43 -7.480 -13.702 0.465 1.00 20.41 C ATOM 654 O LEU A 43 -7.811 -14.184 -0.615 1.00 51.20 O ATOM 655 CB LEU A 43 -9.147 -12.126 1.582 1.00 43.45 C ATOM 656 CG LEU A 43 -10.338 -11.883 2.564 1.00 3.22 C ATOM 657 CD1 LEU A 43 -10.811 -10.411 2.520 1.00 0.54 C ATOM 658 CD2 LEU A 43 -11.502 -12.862 2.284 1.00 14.42 C ATOM 0 H LEU A 43 -7.822 -12.993 3.513 1.00 2.05 H new ATOM 0 HA LEU A 43 -9.307 -14.282 1.429 1.00 34.44 H new ATOM 0 HB2 LEU A 43 -8.363 -11.403 1.808 1.00 43.45 H new ATOM 0 HB3 LEU A 43 -9.490 -11.918 0.569 1.00 43.45 H new ATOM 0 HG LEU A 43 -9.981 -12.080 3.575 1.00 3.22 H new ATOM 0 HD11 LEU A 43 -11.640 -10.274 3.214 1.00 0.54 H new ATOM 0 HD12 LEU A 43 -9.988 -9.756 2.805 1.00 0.54 H new ATOM 0 HD13 LEU A 43 -11.139 -10.164 1.510 1.00 0.54 H new ATOM 0 HD21 LEU A 43 -12.316 -12.669 2.983 1.00 14.42 H new ATOM 0 HD22 LEU A 43 -11.859 -12.721 1.264 1.00 14.42 H new ATOM 0 HD23 LEU A 43 -11.153 -13.887 2.408 1.00 14.42 H new ATOM 670 N LEU A 44 -6.220 -13.285 0.711 1.00 60.23 N ATOM 671 CA LEU A 44 -5.108 -13.484 -0.261 1.00 70.01 C ATOM 672 C LEU A 44 -4.742 -14.990 -0.372 1.00 61.21 C ATOM 673 O LEU A 44 -4.485 -15.511 -1.465 1.00 21.20 O ATOM 674 CB LEU A 44 -3.852 -12.659 0.153 1.00 40.21 C ATOM 675 CG LEU A 44 -2.660 -12.680 -0.869 1.00 54.34 C ATOM 676 CD1 LEU A 44 -3.034 -11.952 -2.183 1.00 55.22 C ATOM 677 CD2 LEU A 44 -1.364 -12.110 -0.248 1.00 71.41 C ATOM 0 H LEU A 44 -5.941 -12.809 1.569 1.00 60.23 H new ATOM 0 HA LEU A 44 -5.448 -13.131 -1.235 1.00 70.01 H new ATOM 0 HB2 LEU A 44 -4.155 -11.624 0.310 1.00 40.21 H new ATOM 0 HB3 LEU A 44 -3.492 -13.034 1.111 1.00 40.21 H new ATOM 0 HG LEU A 44 -2.461 -13.722 -1.118 1.00 54.34 H new ATOM 0 HD11 LEU A 44 -2.188 -11.984 -2.870 1.00 55.22 H new ATOM 0 HD12 LEU A 44 -3.892 -12.445 -2.641 1.00 55.22 H new ATOM 0 HD13 LEU A 44 -3.286 -10.914 -1.965 1.00 55.22 H new ATOM 0 HD21 LEU A 44 -0.562 -12.142 -0.986 1.00 71.41 H new ATOM 0 HD22 LEU A 44 -1.532 -11.078 0.061 1.00 71.41 H new ATOM 0 HD23 LEU A 44 -1.083 -12.708 0.619 1.00 71.41 H new ATOM 689 N ARG A 45 -4.747 -15.671 0.789 1.00 52.44 N ATOM 690 CA ARG A 45 -4.434 -17.118 0.913 1.00 52.24 C ATOM 691 C ARG A 45 -5.506 -17.995 0.208 1.00 51.23 C ATOM 692 O ARG A 45 -5.178 -18.984 -0.459 1.00 32.51 O ATOM 693 CB ARG A 45 -4.269 -17.493 2.435 1.00 52.20 C ATOM 694 CG ARG A 45 -2.901 -18.126 2.839 1.00 10.31 C ATOM 695 CD ARG A 45 -2.845 -19.657 2.642 1.00 54.04 C ATOM 696 NE ARG A 45 -3.019 -20.088 1.243 1.00 61.13 N ATOM 697 CZ ARG A 45 -3.273 -21.318 0.850 1.00 60.54 C ATOM 698 NH1 ARG A 45 -3.462 -22.281 1.699 1.00 62.43 N ATOM 699 NH2 ARG A 45 -3.357 -21.573 -0.404 1.00 14.23 N ATOM 0 H ARG A 45 -4.971 -15.232 1.682 1.00 52.44 H new ATOM 0 HA ARG A 45 -3.491 -17.322 0.405 1.00 52.24 H new ATOM 0 HB2 ARG A 45 -4.419 -16.592 3.029 1.00 52.20 H new ATOM 0 HB3 ARG A 45 -5.063 -18.189 2.705 1.00 52.20 H new ATOM 0 HG2 ARG A 45 -2.108 -17.663 2.251 1.00 10.31 H new ATOM 0 HG3 ARG A 45 -2.698 -17.895 3.885 1.00 10.31 H new ATOM 0 HD2 ARG A 45 -1.887 -20.025 3.008 1.00 54.04 H new ATOM 0 HD3 ARG A 45 -3.620 -20.120 3.253 1.00 54.04 H new ATOM 0 HE ARG A 45 -2.936 -19.374 0.520 1.00 61.13 H new ATOM 0 HH11 ARG A 45 -3.415 -22.094 2.701 1.00 62.43 H new ATOM 0 HH12 ARG A 45 -3.657 -23.225 1.365 1.00 62.43 H new ATOM 0 HH21 ARG A 45 -3.227 -20.826 -1.086 1.00 14.23 H new ATOM 0 HH22 ARG A 45 -3.553 -22.523 -0.719 1.00 14.23 H new ATOM 713 N GLY A 46 -6.782 -17.590 0.347 1.00 12.21 N ATOM 714 CA GLY A 46 -7.909 -18.272 -0.309 1.00 2.31 C ATOM 715 C GLY A 46 -8.117 -17.858 -1.773 1.00 71.23 C ATOM 716 O GLY A 46 -8.969 -18.424 -2.463 1.00 65.30 O ATOM 0 H GLY A 46 -7.058 -16.787 0.913 1.00 12.21 H new ATOM 0 HA2 GLY A 46 -7.745 -19.349 -0.266 1.00 2.31 H new ATOM 0 HA3 GLY A 46 -8.822 -18.066 0.250 1.00 2.31 H new ATOM 720 N GLY A 47 -7.318 -16.877 -2.246 1.00 11.23 N ATOM 721 CA GLY A 47 -7.414 -16.369 -3.625 1.00 31.23 C ATOM 722 C GLY A 47 -8.641 -15.493 -3.895 1.00 4.13 C ATOM 723 O GLY A 47 -9.006 -15.269 -5.051 1.00 31.32 O ATOM 0 H GLY A 47 -6.597 -16.421 -1.687 1.00 11.23 H new ATOM 0 HA2 GLY A 47 -6.516 -15.794 -3.850 1.00 31.23 H new ATOM 0 HA3 GLY A 47 -7.430 -17.216 -4.311 1.00 31.23 H new ATOM 727 N GLU A 48 -9.263 -14.996 -2.817 1.00 44.35 N ATOM 728 CA GLU A 48 -10.482 -14.156 -2.878 1.00 73.50 C ATOM 729 C GLU A 48 -10.165 -12.707 -3.305 1.00 25.23 C ATOM 730 O GLU A 48 -10.994 -12.042 -3.933 1.00 43.15 O ATOM 731 CB GLU A 48 -11.187 -14.166 -1.500 1.00 72.32 C ATOM 732 CG GLU A 48 -11.555 -15.575 -0.987 1.00 20.54 C ATOM 733 CD GLU A 48 -12.479 -16.351 -1.939 1.00 62.13 C ATOM 734 OE1 GLU A 48 -13.700 -16.088 -1.942 1.00 3.14 O ATOM 735 OE2 GLU A 48 -11.991 -17.203 -2.713 1.00 1.13 O ATOM 0 H GLU A 48 -8.936 -15.164 -1.865 1.00 44.35 H new ATOM 0 HA GLU A 48 -11.144 -14.578 -3.634 1.00 73.50 H new ATOM 0 HB2 GLU A 48 -10.538 -13.684 -0.769 1.00 72.32 H new ATOM 0 HB3 GLU A 48 -12.095 -13.567 -1.565 1.00 72.32 H new ATOM 0 HG2 GLU A 48 -10.640 -16.148 -0.834 1.00 20.54 H new ATOM 0 HG3 GLU A 48 -12.041 -15.484 -0.015 1.00 20.54 H new ATOM 742 N ILE A 49 -8.962 -12.223 -2.948 1.00 23.13 N ATOM 743 CA ILE A 49 -8.449 -10.904 -3.386 1.00 71.41 C ATOM 744 C ILE A 49 -7.101 -11.073 -4.126 1.00 33.34 C ATOM 745 O ILE A 49 -6.383 -12.062 -3.924 1.00 3.43 O ATOM 746 CB ILE A 49 -8.271 -9.890 -2.182 1.00 23.42 C ATOM 747 CG1 ILE A 49 -7.173 -10.372 -1.174 1.00 20.12 C ATOM 748 CG2 ILE A 49 -9.622 -9.632 -1.463 1.00 12.25 C ATOM 749 CD1 ILE A 49 -6.901 -9.424 -0.014 1.00 43.45 C ATOM 0 H ILE A 49 -8.314 -12.733 -2.347 1.00 23.13 H new ATOM 0 HA ILE A 49 -9.194 -10.484 -4.061 1.00 71.41 H new ATOM 0 HB ILE A 49 -7.930 -8.944 -2.602 1.00 23.42 H new ATOM 0 HG12 ILE A 49 -7.472 -11.339 -0.770 1.00 20.12 H new ATOM 0 HG13 ILE A 49 -6.243 -10.529 -1.721 1.00 20.12 H new ATOM 0 HG21 ILE A 49 -9.469 -8.932 -0.641 1.00 12.25 H new ATOM 0 HG22 ILE A 49 -10.336 -9.210 -2.170 1.00 12.25 H new ATOM 0 HG23 ILE A 49 -10.011 -10.572 -1.072 1.00 12.25 H new ATOM 0 HD11 ILE A 49 -6.127 -9.846 0.627 1.00 43.45 H new ATOM 0 HD12 ILE A 49 -6.567 -8.462 -0.401 1.00 43.45 H new ATOM 0 HD13 ILE A 49 -7.815 -9.285 0.564 1.00 43.45 H new ATOM 761 N SER A 50 -6.792 -10.112 -5.003 1.00 65.52 N ATOM 762 CA SER A 50 -5.487 -10.029 -5.693 1.00 63.21 C ATOM 763 C SER A 50 -4.465 -9.283 -4.806 1.00 34.30 C ATOM 764 O SER A 50 -4.825 -8.727 -3.755 1.00 32.25 O ATOM 765 CB SER A 50 -5.639 -9.314 -7.068 1.00 73.03 C ATOM 766 OG SER A 50 -6.602 -9.963 -7.887 1.00 70.22 O ATOM 0 H SER A 50 -7.437 -9.365 -5.259 1.00 65.52 H new ATOM 0 HA SER A 50 -5.123 -11.040 -5.873 1.00 63.21 H new ATOM 0 HB2 SER A 50 -5.934 -8.277 -6.910 1.00 73.03 H new ATOM 0 HB3 SER A 50 -4.677 -9.297 -7.579 1.00 73.03 H new ATOM 0 HG SER A 50 -6.676 -9.490 -8.742 1.00 70.22 H new ATOM 772 N VAL A 51 -3.190 -9.275 -5.229 1.00 42.31 N ATOM 773 CA VAL A 51 -2.109 -8.559 -4.509 1.00 3.12 C ATOM 774 C VAL A 51 -2.405 -7.037 -4.434 1.00 43.35 C ATOM 775 O VAL A 51 -2.118 -6.406 -3.428 1.00 0.05 O ATOM 776 CB VAL A 51 -0.713 -8.808 -5.180 1.00 21.23 C ATOM 777 CG1 VAL A 51 0.426 -8.043 -4.455 1.00 42.24 C ATOM 778 CG2 VAL A 51 -0.402 -10.324 -5.252 1.00 74.25 C ATOM 0 H VAL A 51 -2.875 -9.758 -6.071 1.00 42.31 H new ATOM 0 HA VAL A 51 -2.074 -8.957 -3.495 1.00 3.12 H new ATOM 0 HB VAL A 51 -0.767 -8.417 -6.196 1.00 21.23 H new ATOM 0 HG11 VAL A 51 1.374 -8.245 -4.953 1.00 42.24 H new ATOM 0 HG12 VAL A 51 0.221 -6.973 -4.484 1.00 42.24 H new ATOM 0 HG13 VAL A 51 0.484 -8.374 -3.418 1.00 42.24 H new ATOM 0 HG21 VAL A 51 0.571 -10.474 -5.721 1.00 74.25 H new ATOM 0 HG22 VAL A 51 -0.388 -10.741 -4.245 1.00 74.25 H new ATOM 0 HG23 VAL A 51 -1.170 -10.825 -5.841 1.00 74.25 H new ATOM 788 N ARG A 52 -3.019 -6.488 -5.502 1.00 65.05 N ATOM 789 CA ARG A 52 -3.479 -5.073 -5.564 1.00 2.41 C ATOM 790 C ARG A 52 -4.373 -4.709 -4.345 1.00 24.25 C ATOM 791 O ARG A 52 -4.142 -3.714 -3.645 1.00 20.40 O ATOM 792 CB ARG A 52 -4.302 -4.861 -6.865 1.00 11.32 C ATOM 793 CG ARG A 52 -4.582 -3.383 -7.249 1.00 62.32 C ATOM 794 CD ARG A 52 -5.821 -3.203 -8.167 1.00 71.11 C ATOM 795 NE ARG A 52 -5.882 -4.188 -9.265 1.00 41.21 N ATOM 796 CZ ARG A 52 -6.562 -4.052 -10.394 1.00 55.24 C ATOM 797 NH1 ARG A 52 -7.136 -2.936 -10.709 1.00 1.14 N ATOM 798 NH2 ARG A 52 -6.637 -5.044 -11.216 1.00 20.51 N ATOM 0 H ARG A 52 -3.214 -7.012 -6.355 1.00 65.05 H new ATOM 0 HA ARG A 52 -2.598 -4.431 -5.551 1.00 2.41 H new ATOM 0 HB2 ARG A 52 -3.773 -5.338 -7.690 1.00 11.32 H new ATOM 0 HB3 ARG A 52 -5.256 -5.377 -6.758 1.00 11.32 H new ATOM 0 HG2 ARG A 52 -4.727 -2.801 -6.339 1.00 62.32 H new ATOM 0 HG3 ARG A 52 -3.705 -2.975 -7.752 1.00 62.32 H new ATOM 0 HD2 ARG A 52 -6.726 -3.284 -7.565 1.00 71.11 H new ATOM 0 HD3 ARG A 52 -5.809 -2.198 -8.590 1.00 71.11 H new ATOM 0 HE ARG A 52 -5.353 -5.051 -9.143 1.00 41.21 H new ATOM 0 HH11 ARG A 52 -7.071 -2.134 -10.082 1.00 1.14 H new ATOM 0 HH12 ARG A 52 -7.654 -2.858 -11.585 1.00 1.14 H new ATOM 0 HH21 ARG A 52 -6.174 -5.926 -10.995 1.00 20.51 H new ATOM 0 HH22 ARG A 52 -7.159 -4.946 -12.087 1.00 20.51 H new ATOM 812 N ASP A 53 -5.383 -5.566 -4.112 1.00 43.25 N ATOM 813 CA ASP A 53 -6.385 -5.394 -3.042 1.00 74.11 C ATOM 814 C ASP A 53 -5.773 -5.668 -1.647 1.00 53.42 C ATOM 815 O ASP A 53 -6.215 -5.100 -0.640 1.00 40.42 O ATOM 816 CB ASP A 53 -7.590 -6.337 -3.283 1.00 23.11 C ATOM 817 CG ASP A 53 -8.068 -6.339 -4.747 1.00 21.35 C ATOM 818 OD1 ASP A 53 -8.624 -5.323 -5.208 1.00 53.20 O ATOM 819 OD2 ASP A 53 -7.851 -7.347 -5.448 1.00 3.10 O ATOM 0 H ASP A 53 -5.529 -6.409 -4.668 1.00 43.25 H new ATOM 0 HA ASP A 53 -6.725 -4.359 -3.066 1.00 74.11 H new ATOM 0 HB2 ASP A 53 -7.314 -7.351 -2.995 1.00 23.11 H new ATOM 0 HB3 ASP A 53 -8.415 -6.036 -2.637 1.00 23.11 H new ATOM 824 N PHE A 54 -4.756 -6.550 -1.607 1.00 44.22 N ATOM 825 CA PHE A 54 -4.041 -6.892 -0.362 1.00 33.40 C ATOM 826 C PHE A 54 -3.156 -5.717 0.124 1.00 54.22 C ATOM 827 O PHE A 54 -3.228 -5.327 1.289 1.00 53.21 O ATOM 828 CB PHE A 54 -3.195 -8.174 -0.557 1.00 15.14 C ATOM 829 CG PHE A 54 -2.505 -8.651 0.720 1.00 11.14 C ATOM 830 CD1 PHE A 54 -3.257 -9.145 1.787 1.00 52.42 C ATOM 831 CD2 PHE A 54 -1.118 -8.594 0.865 1.00 5.44 C ATOM 832 CE1 PHE A 54 -2.645 -9.565 2.947 1.00 24.02 C ATOM 833 CE2 PHE A 54 -0.510 -9.019 2.031 1.00 53.20 C ATOM 834 CZ PHE A 54 -1.275 -9.504 3.070 1.00 2.52 C ATOM 0 H PHE A 54 -4.409 -7.042 -2.430 1.00 44.22 H new ATOM 0 HA PHE A 54 -4.786 -7.083 0.410 1.00 33.40 H new ATOM 0 HB2 PHE A 54 -3.838 -8.970 -0.932 1.00 15.14 H new ATOM 0 HB3 PHE A 54 -2.440 -7.988 -1.321 1.00 15.14 H new ATOM 0 HD1 PHE A 54 -4.332 -9.199 1.702 1.00 52.42 H new ATOM 0 HD2 PHE A 54 -0.512 -8.213 0.056 1.00 5.44 H new ATOM 0 HE1 PHE A 54 -3.242 -9.944 3.763 1.00 24.02 H new ATOM 0 HE2 PHE A 54 0.565 -8.971 2.128 1.00 53.20 H new ATOM 0 HZ PHE A 54 -0.800 -9.836 3.981 1.00 2.52 H new ATOM 844 N VAL A 55 -2.337 -5.156 -0.792 1.00 44.31 N ATOM 845 CA VAL A 55 -1.474 -3.976 -0.516 1.00 4.02 C ATOM 846 C VAL A 55 -2.336 -2.763 -0.072 1.00 41.54 C ATOM 847 O VAL A 55 -1.928 -1.975 0.790 1.00 21.03 O ATOM 848 CB VAL A 55 -0.598 -3.599 -1.775 1.00 32.04 C ATOM 849 CG1 VAL A 55 0.283 -2.351 -1.520 1.00 24.00 C ATOM 850 CG2 VAL A 55 0.280 -4.796 -2.227 1.00 60.00 C ATOM 0 H VAL A 55 -2.252 -5.506 -1.746 1.00 44.31 H new ATOM 0 HA VAL A 55 -0.797 -4.240 0.296 1.00 4.02 H new ATOM 0 HB VAL A 55 -1.293 -3.354 -2.578 1.00 32.04 H new ATOM 0 HG11 VAL A 55 0.868 -2.130 -2.413 1.00 24.00 H new ATOM 0 HG12 VAL A 55 -0.354 -1.499 -1.282 1.00 24.00 H new ATOM 0 HG13 VAL A 55 0.956 -2.545 -0.685 1.00 24.00 H new ATOM 0 HG21 VAL A 55 0.871 -4.506 -3.095 1.00 60.00 H new ATOM 0 HG22 VAL A 55 0.946 -5.086 -1.414 1.00 60.00 H new ATOM 0 HG23 VAL A 55 -0.360 -5.638 -2.489 1.00 60.00 H new ATOM 860 N ARG A 56 -3.547 -2.661 -0.662 1.00 0.42 N ATOM 861 CA ARG A 56 -4.581 -1.685 -0.250 1.00 3.21 C ATOM 862 C ARG A 56 -4.945 -1.852 1.248 1.00 14.30 C ATOM 863 O ARG A 56 -4.904 -0.886 2.004 1.00 10.20 O ATOM 864 CB ARG A 56 -5.853 -1.863 -1.124 1.00 71.02 C ATOM 865 CG ARG A 56 -6.982 -0.837 -0.859 1.00 35.43 C ATOM 866 CD ARG A 56 -8.303 -1.210 -1.560 1.00 15.32 C ATOM 867 NE ARG A 56 -8.144 -1.325 -3.027 1.00 21.20 N ATOM 868 CZ ARG A 56 -8.550 -2.342 -3.763 1.00 3.32 C ATOM 869 NH1 ARG A 56 -9.228 -3.319 -3.244 1.00 61.31 N ATOM 870 NH2 ARG A 56 -8.301 -2.368 -5.030 1.00 42.43 N ATOM 0 H ARG A 56 -3.836 -3.255 -1.439 1.00 0.42 H new ATOM 0 HA ARG A 56 -4.177 -0.683 -0.392 1.00 3.21 H new ATOM 0 HB2 ARG A 56 -5.565 -1.800 -2.173 1.00 71.02 H new ATOM 0 HB3 ARG A 56 -6.249 -2.865 -0.962 1.00 71.02 H new ATOM 0 HG2 ARG A 56 -7.154 -0.762 0.215 1.00 35.43 H new ATOM 0 HG3 ARG A 56 -6.660 0.147 -1.200 1.00 35.43 H new ATOM 0 HD2 ARG A 56 -8.670 -2.156 -1.161 1.00 15.32 H new ATOM 0 HD3 ARG A 56 -9.057 -0.455 -1.336 1.00 15.32 H new ATOM 0 HE ARG A 56 -7.682 -0.554 -3.509 1.00 21.20 H new ATOM 0 HH11 ARG A 56 -9.456 -3.310 -2.250 1.00 61.31 H new ATOM 0 HH12 ARG A 56 -9.533 -4.096 -3.830 1.00 61.31 H new ATOM 0 HH21 ARG A 56 -7.789 -1.601 -5.465 1.00 42.43 H new ATOM 0 HH22 ARG A 56 -8.616 -3.156 -5.596 1.00 42.43 H new ATOM 884 N ALA A 57 -5.273 -3.095 1.655 1.00 2.42 N ATOM 885 CA ALA A 57 -5.658 -3.430 3.052 1.00 52.51 C ATOM 886 C ALA A 57 -4.524 -3.143 4.072 1.00 61.00 C ATOM 887 O ALA A 57 -4.763 -2.547 5.127 1.00 63.33 O ATOM 888 CB ALA A 57 -6.091 -4.905 3.134 1.00 44.21 C ATOM 0 H ALA A 57 -5.280 -3.900 1.028 1.00 2.42 H new ATOM 0 HA ALA A 57 -6.493 -2.784 3.322 1.00 52.51 H new ATOM 0 HB1 ALA A 57 -6.372 -5.145 4.159 1.00 44.21 H new ATOM 0 HB2 ALA A 57 -6.944 -5.071 2.476 1.00 44.21 H new ATOM 0 HB3 ALA A 57 -5.264 -5.545 2.825 1.00 44.21 H new ATOM 894 N VAL A 58 -3.292 -3.560 3.727 1.00 15.31 N ATOM 895 CA VAL A 58 -2.092 -3.370 4.584 1.00 30.30 C ATOM 896 C VAL A 58 -1.740 -1.858 4.736 1.00 25.23 C ATOM 897 O VAL A 58 -1.245 -1.421 5.778 1.00 21.41 O ATOM 898 CB VAL A 58 -0.864 -4.185 4.000 1.00 54.31 C ATOM 899 CG1 VAL A 58 0.390 -4.091 4.902 1.00 51.13 C ATOM 900 CG2 VAL A 58 -1.245 -5.670 3.765 1.00 41.32 C ATOM 0 H VAL A 58 -3.093 -4.038 2.848 1.00 15.31 H new ATOM 0 HA VAL A 58 -2.319 -3.754 5.578 1.00 30.30 H new ATOM 0 HB VAL A 58 -0.613 -3.727 3.043 1.00 54.31 H new ATOM 0 HG11 VAL A 58 1.202 -4.666 4.457 1.00 51.13 H new ATOM 0 HG12 VAL A 58 0.693 -3.048 4.996 1.00 51.13 H new ATOM 0 HG13 VAL A 58 0.159 -4.492 5.889 1.00 51.13 H new ATOM 0 HG21 VAL A 58 -0.385 -6.207 3.364 1.00 41.32 H new ATOM 0 HG22 VAL A 58 -1.547 -6.122 4.710 1.00 41.32 H new ATOM 0 HG23 VAL A 58 -2.071 -5.726 3.056 1.00 41.32 H new ATOM 910 N ALA A 59 -2.011 -1.074 3.681 1.00 14.23 N ATOM 911 CA ALA A 59 -1.859 0.403 3.698 1.00 33.31 C ATOM 912 C ALA A 59 -3.026 1.136 4.421 1.00 73.03 C ATOM 913 O ALA A 59 -2.829 2.215 4.988 1.00 62.30 O ATOM 914 CB ALA A 59 -1.714 0.914 2.270 1.00 42.10 C ATOM 0 H ALA A 59 -2.342 -1.439 2.788 1.00 14.23 H new ATOM 0 HA ALA A 59 -0.960 0.627 4.273 1.00 33.31 H new ATOM 0 HB1 ALA A 59 -1.602 1.998 2.281 1.00 42.10 H new ATOM 0 HB2 ALA A 59 -0.835 0.463 1.810 1.00 42.10 H new ATOM 0 HB3 ALA A 59 -2.601 0.647 1.696 1.00 42.10 H new ATOM 920 N LEU A 60 -4.238 0.549 4.386 1.00 72.32 N ATOM 921 CA LEU A 60 -5.440 1.104 5.072 1.00 13.34 C ATOM 922 C LEU A 60 -5.495 0.673 6.549 1.00 71.43 C ATOM 923 O LEU A 60 -6.394 1.107 7.292 1.00 22.11 O ATOM 924 CB LEU A 60 -6.742 0.660 4.344 1.00 2.31 C ATOM 925 CG LEU A 60 -7.023 1.344 2.971 1.00 42.21 C ATOM 926 CD1 LEU A 60 -8.243 0.713 2.277 1.00 73.35 C ATOM 927 CD2 LEU A 60 -7.206 2.869 3.134 1.00 23.32 C ATOM 0 H LEU A 60 -4.420 -0.321 3.885 1.00 72.32 H new ATOM 0 HA LEU A 60 -5.363 2.191 5.035 1.00 13.34 H new ATOM 0 HB2 LEU A 60 -6.699 -0.418 4.189 1.00 2.31 H new ATOM 0 HB3 LEU A 60 -7.588 0.853 5.004 1.00 2.31 H new ATOM 0 HG LEU A 60 -6.154 1.179 2.335 1.00 42.21 H new ATOM 0 HD11 LEU A 60 -8.416 1.209 1.322 1.00 73.35 H new ATOM 0 HD12 LEU A 60 -8.056 -0.347 2.106 1.00 73.35 H new ATOM 0 HD13 LEU A 60 -9.122 0.829 2.910 1.00 73.35 H new ATOM 0 HD21 LEU A 60 -7.400 3.318 2.160 1.00 23.32 H new ATOM 0 HD22 LEU A 60 -8.047 3.066 3.799 1.00 23.32 H new ATOM 0 HD23 LEU A 60 -6.300 3.301 3.558 1.00 23.32 H new ATOM 939 N SER A 61 -4.547 -0.196 6.958 1.00 43.50 N ATOM 940 CA SER A 61 -4.410 -0.627 8.359 1.00 43.22 C ATOM 941 C SER A 61 -4.177 0.580 9.275 1.00 51.51 C ATOM 942 O SER A 61 -3.364 1.464 8.956 1.00 63.12 O ATOM 943 CB SER A 61 -3.253 -1.636 8.541 1.00 34.01 C ATOM 944 OG SER A 61 -1.974 -1.031 8.481 1.00 42.34 O ATOM 0 H SER A 61 -3.861 -0.614 6.329 1.00 43.50 H new ATOM 0 HA SER A 61 -5.343 -1.121 8.632 1.00 43.22 H new ATOM 0 HB2 SER A 61 -3.366 -2.139 9.501 1.00 34.01 H new ATOM 0 HB3 SER A 61 -3.322 -2.402 7.769 1.00 34.01 H new ATOM 0 HG SER A 61 -1.617 -1.110 7.572 1.00 42.34 H new ATOM 950 N GLU A 62 -4.891 0.610 10.405 1.00 5.11 N ATOM 951 CA GLU A 62 -4.780 1.709 11.367 1.00 64.04 C ATOM 952 C GLU A 62 -3.378 1.716 12.015 1.00 13.21 C ATOM 953 O GLU A 62 -2.819 2.767 12.235 1.00 34.13 O ATOM 954 CB GLU A 62 -5.898 1.623 12.438 1.00 72.14 C ATOM 955 CG GLU A 62 -5.993 2.851 13.370 1.00 61.14 C ATOM 956 CD GLU A 62 -6.164 4.182 12.609 1.00 42.33 C ATOM 957 OE1 GLU A 62 -7.285 4.457 12.112 1.00 5.44 O ATOM 958 OE2 GLU A 62 -5.185 4.952 12.488 1.00 30.40 O ATOM 0 H GLU A 62 -5.553 -0.117 10.675 1.00 5.11 H new ATOM 0 HA GLU A 62 -4.910 2.651 10.834 1.00 64.04 H new ATOM 0 HB2 GLU A 62 -6.856 1.491 11.934 1.00 72.14 H new ATOM 0 HB3 GLU A 62 -5.732 0.734 13.046 1.00 72.14 H new ATOM 0 HG2 GLU A 62 -6.835 2.718 14.050 1.00 61.14 H new ATOM 0 HG3 GLU A 62 -5.093 2.904 13.983 1.00 61.14 H new ATOM 965 N LEU A 63 -2.814 0.514 12.244 1.00 22.13 N ATOM 966 CA LEU A 63 -1.463 0.327 12.843 1.00 3.33 C ATOM 967 C LEU A 63 -0.338 1.005 12.020 1.00 21.22 C ATOM 968 O LEU A 63 0.597 1.561 12.592 1.00 44.03 O ATOM 969 CB LEU A 63 -1.164 -1.183 13.002 1.00 44.11 C ATOM 970 CG LEU A 63 -2.090 -1.941 13.995 1.00 42.01 C ATOM 971 CD1 LEU A 63 -1.841 -3.459 13.946 1.00 31.32 C ATOM 972 CD2 LEU A 63 -1.935 -1.385 15.431 1.00 42.12 C ATOM 0 H LEU A 63 -3.280 -0.365 12.020 1.00 22.13 H new ATOM 0 HA LEU A 63 -1.477 0.812 13.819 1.00 3.33 H new ATOM 0 HB2 LEU A 63 -1.242 -1.657 12.024 1.00 44.11 H new ATOM 0 HB3 LEU A 63 -0.132 -1.300 13.332 1.00 44.11 H new ATOM 0 HG LEU A 63 -3.121 -1.773 13.685 1.00 42.01 H new ATOM 0 HD11 LEU A 63 -2.504 -3.959 14.652 1.00 31.32 H new ATOM 0 HD12 LEU A 63 -2.038 -3.828 12.939 1.00 31.32 H new ATOM 0 HD13 LEU A 63 -0.805 -3.666 14.212 1.00 31.32 H new ATOM 0 HD21 LEU A 63 -2.593 -1.932 16.106 1.00 42.12 H new ATOM 0 HD22 LEU A 63 -0.902 -1.503 15.757 1.00 42.12 H new ATOM 0 HD23 LEU A 63 -2.201 -0.328 15.443 1.00 42.12 H new ATOM 984 N TYR A 64 -0.438 0.931 10.683 1.00 51.54 N ATOM 985 CA TYR A 64 0.496 1.626 9.763 1.00 50.53 C ATOM 986 C TYR A 64 0.238 3.150 9.770 1.00 4.44 C ATOM 987 O TYR A 64 1.173 3.955 9.923 1.00 12.35 O ATOM 988 CB TYR A 64 0.355 1.043 8.322 1.00 64.33 C ATOM 989 CG TYR A 64 0.993 1.882 7.198 1.00 12.24 C ATOM 990 CD1 TYR A 64 2.322 2.291 7.267 1.00 41.31 C ATOM 991 CD2 TYR A 64 0.252 2.284 6.082 1.00 52.13 C ATOM 992 CE1 TYR A 64 2.884 3.060 6.274 1.00 64.52 C ATOM 993 CE2 TYR A 64 0.818 3.050 5.084 1.00 44.30 C ATOM 994 CZ TYR A 64 2.134 3.435 5.187 1.00 3.15 C ATOM 995 OH TYR A 64 2.708 4.191 4.196 1.00 0.22 O ATOM 0 H TYR A 64 -1.161 0.393 10.205 1.00 51.54 H new ATOM 0 HA TYR A 64 1.517 1.460 10.107 1.00 50.53 H new ATOM 0 HB2 TYR A 64 0.801 0.049 8.307 1.00 64.33 H new ATOM 0 HB3 TYR A 64 -0.705 0.920 8.102 1.00 64.33 H new ATOM 0 HD1 TYR A 64 2.923 1.999 8.116 1.00 41.31 H new ATOM 0 HD2 TYR A 64 -0.784 1.989 6.000 1.00 52.13 H new ATOM 0 HE1 TYR A 64 3.916 3.369 6.350 1.00 64.52 H new ATOM 0 HE2 TYR A 64 0.231 3.346 4.227 1.00 44.30 H new ATOM 0 HH TYR A 64 3.673 4.021 4.172 1.00 0.22 H new ATOM 1005 N ARG A 65 -1.042 3.521 9.601 1.00 73.31 N ATOM 1006 CA ARG A 65 -1.482 4.924 9.489 1.00 65.10 C ATOM 1007 C ARG A 65 -1.059 5.760 10.727 1.00 20.11 C ATOM 1008 O ARG A 65 -0.328 6.736 10.593 1.00 72.45 O ATOM 1009 CB ARG A 65 -3.021 4.954 9.315 1.00 14.15 C ATOM 1010 CG ARG A 65 -3.631 6.363 9.147 1.00 24.33 C ATOM 1011 CD ARG A 65 -5.165 6.334 9.118 1.00 23.54 C ATOM 1012 NE ARG A 65 -5.739 7.689 9.072 1.00 43.01 N ATOM 1013 CZ ARG A 65 -6.974 7.997 9.388 1.00 64.43 C ATOM 1014 NH1 ARG A 65 -7.799 7.092 9.821 1.00 41.45 N ATOM 1015 NH2 ARG A 65 -7.381 9.215 9.271 1.00 73.31 N ATOM 0 H ARG A 65 -1.808 2.851 9.538 1.00 73.31 H new ATOM 0 HA ARG A 65 -1.000 5.373 8.621 1.00 65.10 H new ATOM 0 HB2 ARG A 65 -3.285 4.354 8.444 1.00 14.15 H new ATOM 0 HB3 ARG A 65 -3.479 4.477 10.182 1.00 14.15 H new ATOM 0 HG2 ARG A 65 -3.297 7.001 9.965 1.00 24.33 H new ATOM 0 HG3 ARG A 65 -3.261 6.809 8.224 1.00 24.33 H new ATOM 0 HD2 ARG A 65 -5.501 5.768 8.249 1.00 23.54 H new ATOM 0 HD3 ARG A 65 -5.535 5.813 10.001 1.00 23.54 H new ATOM 0 HE ARG A 65 -5.128 8.448 8.771 1.00 43.01 H new ATOM 0 HH11 ARG A 65 -7.490 6.125 9.920 1.00 41.45 H new ATOM 0 HH12 ARG A 65 -8.756 7.348 10.062 1.00 41.45 H new ATOM 0 HH21 ARG A 65 -6.743 9.936 8.933 1.00 73.31 H new ATOM 0 HH22 ARG A 65 -8.341 9.458 9.516 1.00 73.31 H new ATOM 1029 N GLU A 66 -1.465 5.308 11.926 1.00 24.52 N ATOM 1030 CA GLU A 66 -1.179 5.993 13.214 1.00 14.03 C ATOM 1031 C GLU A 66 0.335 6.068 13.529 1.00 74.24 C ATOM 1032 O GLU A 66 0.794 7.017 14.162 1.00 35.11 O ATOM 1033 CB GLU A 66 -1.919 5.271 14.379 1.00 71.11 C ATOM 1034 CG GLU A 66 -1.402 3.851 14.704 1.00 63.33 C ATOM 1035 CD GLU A 66 -2.181 3.141 15.826 1.00 64.35 C ATOM 1036 OE1 GLU A 66 -3.396 2.901 15.660 1.00 53.25 O ATOM 1037 OE2 GLU A 66 -1.580 2.819 16.877 1.00 24.03 O ATOM 0 H GLU A 66 -2.006 4.450 12.037 1.00 24.52 H new ATOM 0 HA GLU A 66 -1.542 7.016 13.115 1.00 14.03 H new ATOM 0 HB2 GLU A 66 -1.838 5.885 15.276 1.00 71.11 H new ATOM 0 HB3 GLU A 66 -2.979 5.207 14.132 1.00 71.11 H new ATOM 0 HG2 GLU A 66 -1.451 3.242 13.801 1.00 63.33 H new ATOM 0 HG3 GLU A 66 -0.352 3.915 14.989 1.00 63.33 H new ATOM 1044 N LYS A 67 1.091 5.059 13.067 1.00 13.14 N ATOM 1045 CA LYS A 67 2.530 4.910 13.375 1.00 43.20 C ATOM 1046 C LYS A 67 3.376 6.059 12.781 1.00 41.42 C ATOM 1047 O LYS A 67 4.230 6.634 13.456 1.00 71.32 O ATOM 1048 CB LYS A 67 3.019 3.537 12.847 1.00 10.42 C ATOM 1049 CG LYS A 67 4.492 3.207 13.145 1.00 13.22 C ATOM 1050 CD LYS A 67 4.869 1.764 12.741 1.00 64.54 C ATOM 1051 CE LYS A 67 6.313 1.418 13.123 1.00 2.14 C ATOM 1052 NZ LYS A 67 6.550 1.600 14.580 1.00 13.55 N ATOM 0 H LYS A 67 0.724 4.320 12.468 1.00 13.14 H new ATOM 0 HA LYS A 67 2.658 4.958 14.456 1.00 43.20 H new ATOM 0 HB2 LYS A 67 2.394 2.756 13.279 1.00 10.42 H new ATOM 0 HB3 LYS A 67 2.867 3.506 11.768 1.00 10.42 H new ATOM 0 HG2 LYS A 67 5.133 3.909 12.612 1.00 13.22 H new ATOM 0 HG3 LYS A 67 4.684 3.345 14.209 1.00 13.22 H new ATOM 0 HD2 LYS A 67 4.188 1.063 13.224 1.00 64.54 H new ATOM 0 HD3 LYS A 67 4.740 1.643 11.665 1.00 64.54 H new ATOM 0 HE2 LYS A 67 6.527 0.386 12.845 1.00 2.14 H new ATOM 0 HE3 LYS A 67 7.001 2.049 12.560 1.00 2.14 H new ATOM 0 HZ1 LYS A 67 7.436 1.126 14.849 1.00 13.55 H new ATOM 0 HZ2 LYS A 67 6.620 2.615 14.796 1.00 13.55 H new ATOM 0 HZ3 LYS A 67 5.760 1.186 15.115 1.00 13.55 H new ATOM 1066 N PHE A 68 3.137 6.371 11.502 1.00 62.53 N ATOM 1067 CA PHE A 68 3.899 7.416 10.779 1.00 15.11 C ATOM 1068 C PHE A 68 3.157 8.776 10.714 1.00 65.32 C ATOM 1069 O PHE A 68 3.773 9.797 10.403 1.00 63.34 O ATOM 1070 CB PHE A 68 4.262 6.896 9.367 1.00 53.55 C ATOM 1071 CG PHE A 68 5.095 5.612 9.400 1.00 3.24 C ATOM 1072 CD1 PHE A 68 6.452 5.651 9.713 1.00 72.15 C ATOM 1073 CD2 PHE A 68 4.517 4.370 9.149 1.00 50.02 C ATOM 1074 CE1 PHE A 68 7.205 4.494 9.761 1.00 12.11 C ATOM 1075 CE2 PHE A 68 5.269 3.213 9.201 1.00 40.42 C ATOM 1076 CZ PHE A 68 6.613 3.276 9.507 1.00 11.22 C ATOM 0 H PHE A 68 2.420 5.916 10.937 1.00 62.53 H new ATOM 0 HA PHE A 68 4.812 7.614 11.340 1.00 15.11 H new ATOM 0 HB2 PHE A 68 3.345 6.714 8.806 1.00 53.55 H new ATOM 0 HB3 PHE A 68 4.815 7.668 8.832 1.00 53.55 H new ATOM 0 HD1 PHE A 68 6.922 6.601 9.921 1.00 72.15 H new ATOM 0 HD2 PHE A 68 3.465 4.311 8.910 1.00 50.02 H new ATOM 0 HE1 PHE A 68 8.258 4.544 9.998 1.00 12.11 H new ATOM 0 HE2 PHE A 68 4.805 2.258 9.002 1.00 40.42 H new ATOM 0 HZ PHE A 68 7.201 2.371 9.547 1.00 11.22 H new ATOM 1086 N PHE A 69 1.837 8.792 11.002 1.00 55.11 N ATOM 1087 CA PHE A 69 1.033 10.047 11.019 1.00 72.42 C ATOM 1088 C PHE A 69 1.082 10.758 12.395 1.00 53.13 C ATOM 1089 O PHE A 69 1.110 11.982 12.449 1.00 14.32 O ATOM 1090 CB PHE A 69 -0.440 9.764 10.607 1.00 1.23 C ATOM 1091 CG PHE A 69 -1.346 10.999 10.579 1.00 62.11 C ATOM 1092 CD1 PHE A 69 -1.142 12.010 9.642 1.00 53.34 C ATOM 1093 CD2 PHE A 69 -2.391 11.152 11.495 1.00 51.31 C ATOM 1094 CE1 PHE A 69 -1.950 13.132 9.624 1.00 60.23 C ATOM 1095 CE2 PHE A 69 -3.196 12.274 11.469 1.00 23.42 C ATOM 1096 CZ PHE A 69 -2.975 13.264 10.533 1.00 15.12 C ATOM 0 H PHE A 69 1.301 7.954 11.226 1.00 55.11 H new ATOM 0 HA PHE A 69 1.481 10.721 10.289 1.00 72.42 H new ATOM 0 HB2 PHE A 69 -0.445 9.305 9.619 1.00 1.23 H new ATOM 0 HB3 PHE A 69 -0.863 9.036 11.299 1.00 1.23 H new ATOM 0 HD1 PHE A 69 -0.343 11.916 8.921 1.00 53.34 H new ATOM 0 HD2 PHE A 69 -2.571 10.383 12.232 1.00 51.31 H new ATOM 0 HE1 PHE A 69 -1.776 13.908 8.893 1.00 60.23 H new ATOM 0 HE2 PHE A 69 -4.000 12.377 12.183 1.00 23.42 H new ATOM 0 HZ PHE A 69 -3.605 14.141 10.514 1.00 15.12 H new ATOM 1106 N HIS A 70 1.065 9.994 13.504 1.00 32.13 N ATOM 1107 CA HIS A 70 1.090 10.588 14.874 1.00 72.31 C ATOM 1108 C HIS A 70 2.521 10.992 15.305 1.00 2.50 C ATOM 1109 O HIS A 70 2.700 11.968 16.034 1.00 44.31 O ATOM 1110 CB HIS A 70 0.480 9.612 15.913 1.00 24.11 C ATOM 1111 CG HIS A 70 -0.973 9.282 15.696 1.00 2.42 C ATOM 1112 ND1 HIS A 70 -1.787 9.952 14.803 1.00 11.33 N ATOM 1113 CD2 HIS A 70 -1.753 8.332 16.261 1.00 20.52 C ATOM 1114 CE1 HIS A 70 -2.992 9.432 14.831 1.00 65.10 C ATOM 1115 NE2 HIS A 70 -3.000 8.446 15.702 1.00 40.44 N ATOM 0 H HIS A 70 1.034 8.975 13.490 1.00 32.13 H new ATOM 0 HA HIS A 70 0.483 11.493 14.837 1.00 72.31 H new ATOM 0 HB2 HIS A 70 1.054 8.685 15.900 1.00 24.11 H new ATOM 0 HB3 HIS A 70 0.595 10.044 16.907 1.00 24.11 H new ATOM 0 HD2 HIS A 70 -1.450 7.617 17.012 1.00 20.52 H new ATOM 0 HE1 HIS A 70 -3.834 9.758 14.239 1.00 65.10 H new ATOM 0 HE2 HIS A 70 -3.805 7.860 15.926 1.00 40.44 H new ATOM 1124 N ASN A 71 3.530 10.225 14.861 1.00 1.15 N ATOM 1125 CA ASN A 71 4.955 10.449 15.241 1.00 45.05 C ATOM 1126 C ASN A 71 5.688 11.407 14.267 1.00 34.30 C ATOM 1127 O ASN A 71 6.854 11.747 14.488 1.00 5.02 O ATOM 1128 CB ASN A 71 5.672 9.080 15.324 1.00 61.34 C ATOM 1129 CG ASN A 71 5.050 8.178 16.392 1.00 31.14 C ATOM 1130 OD1 ASN A 71 5.579 8.207 17.598 1.00 51.23 O flip ATOM 1131 ND2 ASN A 71 4.092 7.462 16.137 1.00 35.40 N flip ATOM 0 H ASN A 71 3.394 9.434 14.232 1.00 1.15 H new ATOM 0 HA ASN A 71 4.978 10.938 16.215 1.00 45.05 H new ATOM 0 HB2 ASN A 71 5.622 8.584 14.355 1.00 61.34 H new ATOM 0 HB3 ASN A 71 6.727 9.235 15.549 1.00 61.34 H new ATOM 0 HD21 ASN A 71 3.697 7.454 15.197 1.00 35.40 H new ATOM 0 HD22 ASN A 71 3.688 6.873 16.865 1.00 35.40 H new ATOM 1138 N ASN A 72 4.992 11.851 13.202 1.00 45.33 N ATOM 1139 CA ASN A 72 5.536 12.788 12.183 1.00 31.33 C ATOM 1140 C ASN A 72 4.457 13.810 11.754 1.00 34.21 C ATOM 1141 O ASN A 72 3.258 13.585 11.953 1.00 71.43 O ATOM 1142 CB ASN A 72 6.055 12.052 10.911 1.00 43.44 C ATOM 1143 CG ASN A 72 7.209 11.082 11.174 1.00 43.44 C ATOM 1144 OD1 ASN A 72 8.368 11.477 11.233 1.00 61.45 O ATOM 1145 ND2 ASN A 72 6.908 9.802 11.291 1.00 63.02 N ATOM 0 H ASN A 72 4.029 11.571 13.018 1.00 45.33 H new ATOM 0 HA ASN A 72 6.377 13.297 12.654 1.00 31.33 H new ATOM 0 HB2 ASN A 72 5.229 11.502 10.461 1.00 43.44 H new ATOM 0 HB3 ASN A 72 6.379 12.795 10.182 1.00 43.44 H new ATOM 0 HD21 ASN A 72 7.648 9.115 11.434 1.00 63.02 H new ATOM 0 HD22 ASN A 72 5.935 9.500 11.238 1.00 63.02 H new ATOM 1152 N ALA A 73 4.908 14.941 11.186 1.00 51.24 N ATOM 1153 CA ALA A 73 4.026 15.891 10.469 1.00 72.42 C ATOM 1154 C ALA A 73 3.484 15.219 9.182 1.00 12.24 C ATOM 1155 O ALA A 73 4.210 14.444 8.546 1.00 44.32 O ATOM 1156 CB ALA A 73 4.788 17.190 10.127 1.00 31.50 C ATOM 0 H ALA A 73 5.887 15.226 11.208 1.00 51.24 H new ATOM 0 HA ALA A 73 3.188 16.156 11.113 1.00 72.42 H new ATOM 0 HB1 ALA A 73 4.123 17.874 9.601 1.00 31.50 H new ATOM 0 HB2 ALA A 73 5.138 17.659 11.046 1.00 31.50 H new ATOM 0 HB3 ALA A 73 5.642 16.954 9.492 1.00 31.50 H new ATOM 1162 N HIS A 74 2.205 15.478 8.843 1.00 1.44 N ATOM 1163 CA HIS A 74 1.504 14.810 7.714 1.00 1.35 C ATOM 1164 C HIS A 74 2.302 14.852 6.375 1.00 43.43 C ATOM 1165 O HIS A 74 2.262 13.897 5.606 1.00 45.54 O ATOM 1166 CB HIS A 74 0.100 15.431 7.516 1.00 45.11 C ATOM 1167 CG HIS A 74 -0.729 14.739 6.455 1.00 51.13 C ATOM 1168 ND1 HIS A 74 -1.485 15.440 5.555 1.00 73.42 N ATOM 1169 CD2 HIS A 74 -0.867 13.411 6.195 1.00 41.04 C ATOM 1170 CE1 HIS A 74 -2.047 14.537 4.779 1.00 72.14 C ATOM 1171 NE2 HIS A 74 -1.703 13.297 5.126 1.00 52.11 N ATOM 0 H HIS A 74 1.625 16.154 9.340 1.00 1.44 H new ATOM 0 HA HIS A 74 1.413 13.759 7.987 1.00 1.35 H new ATOM 0 HB2 HIS A 74 -0.438 15.399 8.463 1.00 45.11 H new ATOM 0 HB3 HIS A 74 0.212 16.482 7.249 1.00 45.11 H new ATOM 0 HD2 HIS A 74 -0.401 12.600 6.735 1.00 41.04 H new ATOM 0 HE1 HIS A 74 -2.708 14.773 3.958 1.00 72.14 H new ATOM 0 HE2 HIS A 74 -2.006 12.432 4.679 1.00 52.11 H new ATOM 1179 N ASN A 75 3.043 15.947 6.138 1.00 54.50 N ATOM 1180 CA ASN A 75 3.910 16.110 4.936 1.00 43.52 C ATOM 1181 C ASN A 75 4.995 15.000 4.849 1.00 74.55 C ATOM 1182 O ASN A 75 5.313 14.507 3.760 1.00 73.55 O ATOM 1183 CB ASN A 75 4.574 17.507 4.966 1.00 63.05 C ATOM 1184 CG ASN A 75 3.542 18.623 5.136 1.00 71.22 C ATOM 1185 OD1 ASN A 75 3.205 19.003 6.255 1.00 52.41 O ATOM 1186 ND2 ASN A 75 3.027 19.156 4.042 1.00 21.11 N ATOM 0 H ASN A 75 3.065 16.749 6.767 1.00 54.50 H new ATOM 0 HA ASN A 75 3.282 16.018 4.050 1.00 43.52 H new ATOM 0 HB2 ASN A 75 5.294 17.550 5.784 1.00 63.05 H new ATOM 0 HB3 ASN A 75 5.131 17.665 4.042 1.00 63.05 H new ATOM 0 HD21 ASN A 75 2.333 19.900 4.115 1.00 21.11 H new ATOM 0 HD22 ASN A 75 3.323 18.823 3.124 1.00 21.11 H new ATOM 1193 N ARG A 76 5.533 14.609 6.020 1.00 72.34 N ATOM 1194 CA ARG A 76 6.497 13.491 6.147 1.00 61.04 C ATOM 1195 C ARG A 76 5.792 12.120 5.965 1.00 71.14 C ATOM 1196 O ARG A 76 6.347 11.215 5.332 1.00 52.14 O ATOM 1197 CB ARG A 76 7.212 13.539 7.530 1.00 31.31 C ATOM 1198 CG ARG A 76 8.369 12.519 7.698 1.00 25.15 C ATOM 1199 CD ARG A 76 9.494 12.763 6.680 1.00 41.53 C ATOM 1200 NE ARG A 76 10.580 11.774 6.758 1.00 41.44 N ATOM 1201 CZ ARG A 76 11.550 11.655 5.878 1.00 21.02 C ATOM 1202 NH1 ARG A 76 11.604 12.417 4.814 1.00 70.14 N ATOM 1203 NH2 ARG A 76 12.470 10.770 6.072 1.00 62.30 N ATOM 0 H ARG A 76 5.313 15.059 6.909 1.00 72.34 H new ATOM 0 HA ARG A 76 7.241 13.604 5.358 1.00 61.04 H new ATOM 0 HB2 ARG A 76 7.606 14.543 7.685 1.00 31.31 H new ATOM 0 HB3 ARG A 76 6.473 13.362 8.312 1.00 31.31 H new ATOM 0 HG2 ARG A 76 8.771 12.588 8.709 1.00 25.15 H new ATOM 0 HG3 ARG A 76 7.982 11.507 7.578 1.00 25.15 H new ATOM 0 HD2 ARG A 76 9.073 12.750 5.675 1.00 41.53 H new ATOM 0 HD3 ARG A 76 9.908 13.759 6.839 1.00 41.53 H new ATOM 0 HE ARG A 76 10.581 11.134 7.552 1.00 41.44 H new ATOM 0 HH11 ARG A 76 10.884 13.121 4.654 1.00 70.14 H new ATOM 0 HH12 ARG A 76 12.366 12.306 4.145 1.00 70.14 H new ATOM 0 HH21 ARG A 76 12.438 10.174 6.899 1.00 62.30 H new ATOM 0 HH22 ARG A 76 13.228 10.667 5.398 1.00 62.30 H new ATOM 1217 N PHE A 77 4.559 11.987 6.514 1.00 41.00 N ATOM 1218 CA PHE A 77 3.720 10.760 6.361 1.00 4.42 C ATOM 1219 C PHE A 77 3.417 10.476 4.866 1.00 62.53 C ATOM 1220 O PHE A 77 3.364 9.321 4.444 1.00 33.02 O ATOM 1221 CB PHE A 77 2.389 10.908 7.164 1.00 30.14 C ATOM 1222 CG PHE A 77 1.363 9.774 6.961 1.00 54.32 C ATOM 1223 CD1 PHE A 77 1.606 8.497 7.457 1.00 71.42 C ATOM 1224 CD2 PHE A 77 0.167 9.988 6.265 1.00 35.22 C ATOM 1225 CE1 PHE A 77 0.694 7.472 7.275 1.00 23.53 C ATOM 1226 CE2 PHE A 77 -0.744 8.962 6.079 1.00 15.53 C ATOM 1227 CZ PHE A 77 -0.479 7.704 6.585 1.00 44.43 C ATOM 0 H PHE A 77 4.116 12.717 7.072 1.00 41.00 H new ATOM 0 HA PHE A 77 4.281 9.915 6.761 1.00 4.42 H new ATOM 0 HB2 PHE A 77 2.630 10.971 8.225 1.00 30.14 H new ATOM 0 HB3 PHE A 77 1.921 11.852 6.887 1.00 30.14 H new ATOM 0 HD1 PHE A 77 2.523 8.302 7.994 1.00 71.42 H new ATOM 0 HD2 PHE A 77 -0.048 10.969 5.867 1.00 35.22 H new ATOM 0 HE1 PHE A 77 0.900 6.490 7.673 1.00 23.53 H new ATOM 0 HE2 PHE A 77 -1.661 9.145 5.539 1.00 15.53 H new ATOM 0 HZ PHE A 77 -1.189 6.903 6.441 1.00 44.43 H new ATOM 1237 N ILE A 78 3.232 11.558 4.092 1.00 14.04 N ATOM 1238 CA ILE A 78 3.053 11.502 2.624 1.00 74.25 C ATOM 1239 C ILE A 78 4.321 10.938 1.925 1.00 71.45 C ATOM 1240 O ILE A 78 4.216 10.022 1.109 1.00 24.43 O ATOM 1241 CB ILE A 78 2.684 12.938 2.076 1.00 4.21 C ATOM 1242 CG1 ILE A 78 1.283 13.370 2.620 1.00 71.32 C ATOM 1243 CG2 ILE A 78 2.730 13.026 0.529 1.00 63.12 C ATOM 1244 CD1 ILE A 78 0.904 14.815 2.343 1.00 74.04 C ATOM 0 H ILE A 78 3.202 12.506 4.467 1.00 14.04 H new ATOM 0 HA ILE A 78 2.232 10.822 2.396 1.00 74.25 H new ATOM 0 HB ILE A 78 3.444 13.629 2.440 1.00 4.21 H new ATOM 0 HG12 ILE A 78 0.524 12.721 2.183 1.00 71.32 H new ATOM 0 HG13 ILE A 78 1.261 13.205 3.697 1.00 71.32 H new ATOM 0 HG21 ILE A 78 2.467 14.036 0.214 1.00 63.12 H new ATOM 0 HG22 ILE A 78 3.735 12.787 0.181 1.00 63.12 H new ATOM 0 HG23 ILE A 78 2.020 12.317 0.103 1.00 63.12 H new ATOM 0 HD11 ILE A 78 -0.083 15.018 2.758 1.00 74.04 H new ATOM 0 HD12 ILE A 78 1.636 15.478 2.805 1.00 74.04 H new ATOM 0 HD13 ILE A 78 0.887 14.987 1.267 1.00 74.04 H new ATOM 1256 N GLU A 79 5.514 11.462 2.293 1.00 3.24 N ATOM 1257 CA GLU A 79 6.820 10.961 1.764 1.00 42.53 C ATOM 1258 C GLU A 79 6.986 9.438 1.993 1.00 1.34 C ATOM 1259 O GLU A 79 7.429 8.695 1.103 1.00 64.32 O ATOM 1260 CB GLU A 79 8.008 11.708 2.427 1.00 42.10 C ATOM 1261 CG GLU A 79 8.065 13.224 2.149 1.00 75.34 C ATOM 1262 CD GLU A 79 9.282 13.901 2.807 1.00 71.44 C ATOM 1263 OE1 GLU A 79 10.406 13.754 2.281 1.00 14.33 O ATOM 1264 OE2 GLU A 79 9.128 14.542 3.870 1.00 54.33 O ATOM 0 H GLU A 79 5.607 12.233 2.955 1.00 3.24 H new ATOM 0 HA GLU A 79 6.821 11.154 0.691 1.00 42.53 H new ATOM 0 HB2 GLU A 79 7.958 11.554 3.505 1.00 42.10 H new ATOM 0 HB3 GLU A 79 8.938 11.256 2.083 1.00 42.10 H new ATOM 0 HG2 GLU A 79 8.099 13.391 1.072 1.00 75.34 H new ATOM 0 HG3 GLU A 79 7.151 13.692 2.516 1.00 75.34 H new ATOM 1271 N LEU A 80 6.603 9.003 3.199 1.00 51.34 N ATOM 1272 CA LEU A 80 6.659 7.596 3.621 1.00 4.01 C ATOM 1273 C LEU A 80 5.617 6.729 2.872 1.00 42.33 C ATOM 1274 O LEU A 80 5.939 5.638 2.405 1.00 44.43 O ATOM 1275 CB LEU A 80 6.463 7.528 5.158 1.00 14.43 C ATOM 1276 CG LEU A 80 7.563 8.280 5.985 1.00 51.21 C ATOM 1277 CD1 LEU A 80 7.204 8.377 7.480 1.00 15.13 C ATOM 1278 CD2 LEU A 80 8.947 7.623 5.772 1.00 23.13 C ATOM 0 H LEU A 80 6.240 9.626 3.920 1.00 51.34 H new ATOM 0 HA LEU A 80 7.635 7.184 3.364 1.00 4.01 H new ATOM 0 HB2 LEU A 80 5.488 7.948 5.407 1.00 14.43 H new ATOM 0 HB3 LEU A 80 6.447 6.482 5.464 1.00 14.43 H new ATOM 0 HG LEU A 80 7.611 9.304 5.613 1.00 51.21 H new ATOM 0 HD11 LEU A 80 7.996 8.906 8.011 1.00 15.13 H new ATOM 0 HD12 LEU A 80 6.266 8.919 7.594 1.00 15.13 H new ATOM 0 HD13 LEU A 80 7.096 7.374 7.894 1.00 15.13 H new ATOM 0 HD21 LEU A 80 9.697 8.158 6.354 1.00 23.13 H new ATOM 0 HD22 LEU A 80 8.910 6.583 6.097 1.00 23.13 H new ATOM 0 HD23 LEU A 80 9.210 7.664 4.715 1.00 23.13 H new ATOM 1290 N ASN A 81 4.393 7.251 2.711 1.00 25.44 N ATOM 1291 CA ASN A 81 3.272 6.523 2.064 1.00 72.40 C ATOM 1292 C ASN A 81 3.549 6.274 0.549 1.00 43.10 C ATOM 1293 O ASN A 81 3.134 5.257 -0.017 1.00 32.44 O ATOM 1294 CB ASN A 81 1.951 7.316 2.288 1.00 15.30 C ATOM 1295 CG ASN A 81 0.672 6.496 2.079 1.00 70.21 C ATOM 1296 OD1 ASN A 81 0.668 5.277 2.224 1.00 2.24 O ATOM 1297 ND2 ASN A 81 -0.433 7.157 1.799 1.00 70.15 N ATOM 0 H ASN A 81 4.144 8.190 3.023 1.00 25.44 H new ATOM 0 HA ASN A 81 3.174 5.539 2.523 1.00 72.40 H new ATOM 0 HB2 ASN A 81 1.950 7.715 3.302 1.00 15.30 H new ATOM 0 HB3 ASN A 81 1.935 8.169 1.610 1.00 15.30 H new ATOM 0 HD21 ASN A 81 -1.316 6.656 1.698 1.00 70.15 H new ATOM 0 HD22 ASN A 81 -0.406 8.170 1.683 1.00 70.15 H new ATOM 1304 N PHE A 82 4.279 7.215 -0.075 1.00 72.40 N ATOM 1305 CA PHE A 82 4.755 7.105 -1.478 1.00 1.42 C ATOM 1306 C PHE A 82 5.798 5.976 -1.657 1.00 61.01 C ATOM 1307 O PHE A 82 5.637 5.102 -2.517 1.00 25.32 O ATOM 1308 CB PHE A 82 5.372 8.460 -1.936 1.00 33.12 C ATOM 1309 CG PHE A 82 4.372 9.514 -2.405 1.00 71.10 C ATOM 1310 CD1 PHE A 82 3.211 9.788 -1.694 1.00 62.42 C ATOM 1311 CD2 PHE A 82 4.612 10.244 -3.559 1.00 21.44 C ATOM 1312 CE1 PHE A 82 2.328 10.755 -2.127 1.00 64.43 C ATOM 1313 CE2 PHE A 82 3.730 11.202 -3.985 1.00 24.21 C ATOM 1314 CZ PHE A 82 2.589 11.458 -3.272 1.00 24.24 C ATOM 0 H PHE A 82 4.561 8.084 0.379 1.00 72.40 H new ATOM 0 HA PHE A 82 3.891 6.858 -2.094 1.00 1.42 H new ATOM 0 HB2 PHE A 82 5.949 8.874 -1.109 1.00 33.12 H new ATOM 0 HB3 PHE A 82 6.073 8.264 -2.747 1.00 33.12 H new ATOM 0 HD1 PHE A 82 2.997 9.237 -0.790 1.00 62.42 H new ATOM 0 HD2 PHE A 82 5.508 10.055 -4.131 1.00 21.44 H new ATOM 0 HE1 PHE A 82 1.430 10.958 -1.562 1.00 64.43 H new ATOM 0 HE2 PHE A 82 3.936 11.758 -4.888 1.00 24.21 H new ATOM 0 HZ PHE A 82 1.896 12.213 -3.613 1.00 24.24 H new ATOM 1324 N LYS A 83 6.875 6.018 -0.843 1.00 13.31 N ATOM 1325 CA LYS A 83 8.015 5.069 -0.968 1.00 61.44 C ATOM 1326 C LYS A 83 7.623 3.619 -0.578 1.00 4.34 C ATOM 1327 O LYS A 83 8.210 2.650 -1.073 1.00 3.23 O ATOM 1328 CB LYS A 83 9.227 5.559 -0.123 1.00 5.53 C ATOM 1329 CG LYS A 83 8.998 5.571 1.405 1.00 11.42 C ATOM 1330 CD LYS A 83 10.200 6.135 2.203 1.00 63.30 C ATOM 1331 CE LYS A 83 10.520 7.610 1.861 1.00 34.42 C ATOM 1332 NZ LYS A 83 11.646 8.141 2.671 1.00 63.54 N ATOM 0 H LYS A 83 6.984 6.698 -0.090 1.00 13.31 H new ATOM 0 HA LYS A 83 8.302 5.048 -2.019 1.00 61.44 H new ATOM 0 HB2 LYS A 83 10.084 4.922 -0.341 1.00 5.53 H new ATOM 0 HB3 LYS A 83 9.490 6.567 -0.443 1.00 5.53 H new ATOM 0 HG2 LYS A 83 8.112 6.166 1.627 1.00 11.42 H new ATOM 0 HG3 LYS A 83 8.792 4.555 1.742 1.00 11.42 H new ATOM 0 HD2 LYS A 83 9.990 6.053 3.270 1.00 63.30 H new ATOM 0 HD3 LYS A 83 11.080 5.523 2.003 1.00 63.30 H new ATOM 0 HE2 LYS A 83 10.766 7.691 0.802 1.00 34.42 H new ATOM 0 HE3 LYS A 83 9.633 8.221 2.030 1.00 34.42 H new ATOM 0 HZ1 LYS A 83 11.826 9.131 2.409 1.00 63.54 H new ATOM 0 HZ2 LYS A 83 11.402 8.089 3.681 1.00 63.54 H new ATOM 0 HZ3 LYS A 83 12.500 7.575 2.491 1.00 63.54 H new ATOM 1346 N HIS A 84 6.627 3.491 0.315 1.00 12.52 N ATOM 1347 CA HIS A 84 6.125 2.182 0.784 1.00 51.51 C ATOM 1348 C HIS A 84 5.240 1.473 -0.280 1.00 25.45 C ATOM 1349 O HIS A 84 5.372 0.267 -0.499 1.00 64.32 O ATOM 1350 CB HIS A 84 5.340 2.360 2.112 1.00 12.31 C ATOM 1351 CG HIS A 84 6.181 2.791 3.298 1.00 20.13 C ATOM 1352 ND1 HIS A 84 5.658 3.471 4.377 1.00 42.14 N ATOM 1353 CD2 HIS A 84 7.491 2.593 3.597 1.00 73.34 C ATOM 1354 CE1 HIS A 84 6.597 3.672 5.276 1.00 22.20 C ATOM 1355 NE2 HIS A 84 7.718 3.149 4.832 1.00 44.54 N ATOM 0 H HIS A 84 6.146 4.288 0.733 1.00 12.52 H new ATOM 0 HA HIS A 84 6.990 1.542 0.956 1.00 51.51 H new ATOM 0 HB2 HIS A 84 4.553 3.098 1.956 1.00 12.31 H new ATOM 0 HB3 HIS A 84 4.849 1.418 2.356 1.00 12.31 H new ATOM 0 HD2 HIS A 84 8.220 2.091 2.978 1.00 73.34 H new ATOM 0 HE1 HIS A 84 6.468 4.181 6.220 1.00 22.20 H new ATOM 0 HE2 HIS A 84 8.611 3.155 5.325 1.00 44.54 H new ATOM 1364 N LEU A 85 4.343 2.232 -0.937 1.00 73.31 N ATOM 1365 CA LEU A 85 3.342 1.657 -1.878 1.00 30.33 C ATOM 1366 C LEU A 85 3.824 1.622 -3.349 1.00 24.03 C ATOM 1367 O LEU A 85 3.362 0.788 -4.129 1.00 33.34 O ATOM 1368 CB LEU A 85 2.006 2.444 -1.751 1.00 64.32 C ATOM 1369 CG LEU A 85 1.332 2.381 -0.340 1.00 25.31 C ATOM 1370 CD1 LEU A 85 0.011 3.177 -0.300 1.00 20.54 C ATOM 1371 CD2 LEU A 85 1.114 0.918 0.091 1.00 3.50 C ATOM 0 H LEU A 85 4.285 3.246 -0.839 1.00 73.31 H new ATOM 0 HA LEU A 85 3.193 0.615 -1.594 1.00 30.33 H new ATOM 0 HB2 LEU A 85 2.192 3.488 -2.002 1.00 64.32 H new ATOM 0 HB3 LEU A 85 1.303 2.059 -2.490 1.00 64.32 H new ATOM 0 HG LEU A 85 2.010 2.851 0.372 1.00 25.31 H new ATOM 0 HD11 LEU A 85 -0.425 3.108 0.697 1.00 20.54 H new ATOM 0 HD12 LEU A 85 0.209 4.222 -0.538 1.00 20.54 H new ATOM 0 HD13 LEU A 85 -0.685 2.764 -1.030 1.00 20.54 H new ATOM 0 HD21 LEU A 85 0.644 0.895 1.074 1.00 3.50 H new ATOM 0 HD22 LEU A 85 0.469 0.418 -0.631 1.00 3.50 H new ATOM 0 HD23 LEU A 85 2.075 0.405 0.135 1.00 3.50 H new ATOM 1383 N LEU A 86 4.737 2.538 -3.734 1.00 12.51 N ATOM 1384 CA LEU A 86 5.301 2.586 -5.114 1.00 13.42 C ATOM 1385 C LEU A 86 6.842 2.549 -5.051 1.00 35.41 C ATOM 1386 O LEU A 86 7.488 1.631 -5.567 1.00 73.21 O ATOM 1387 CB LEU A 86 4.850 3.872 -5.900 1.00 33.30 C ATOM 1388 CG LEU A 86 3.308 4.186 -5.946 1.00 15.21 C ATOM 1389 CD1 LEU A 86 2.838 4.923 -4.668 1.00 23.25 C ATOM 1390 CD2 LEU A 86 2.917 4.972 -7.223 1.00 21.01 C ATOM 0 H LEU A 86 5.105 3.259 -3.113 1.00 12.51 H new ATOM 0 HA LEU A 86 4.919 1.716 -5.647 1.00 13.42 H new ATOM 0 HB2 LEU A 86 5.356 4.731 -5.460 1.00 33.30 H new ATOM 0 HB3 LEU A 86 5.207 3.783 -6.926 1.00 33.30 H new ATOM 0 HG LEU A 86 2.790 3.228 -5.983 1.00 15.21 H new ATOM 0 HD11 LEU A 86 1.769 5.123 -4.736 1.00 23.25 H new ATOM 0 HD12 LEU A 86 3.036 4.301 -3.795 1.00 23.25 H new ATOM 0 HD13 LEU A 86 3.378 5.865 -4.572 1.00 23.25 H new ATOM 0 HD21 LEU A 86 1.845 5.168 -7.215 1.00 21.01 H new ATOM 0 HD22 LEU A 86 3.459 5.917 -7.248 1.00 21.01 H new ATOM 0 HD23 LEU A 86 3.172 4.384 -8.105 1.00 21.01 H new ATOM 1402 N GLY A 87 7.411 3.573 -4.394 1.00 0.44 N ATOM 1403 CA GLY A 87 8.865 3.792 -4.356 1.00 1.34 C ATOM 1404 C GLY A 87 9.262 5.202 -4.797 1.00 53.12 C ATOM 1405 O GLY A 87 10.431 5.589 -4.668 1.00 23.21 O ATOM 0 H GLY A 87 6.877 4.270 -3.876 1.00 0.44 H new ATOM 0 HA2 GLY A 87 9.228 3.617 -3.343 1.00 1.34 H new ATOM 0 HA3 GLY A 87 9.355 3.063 -5.001 1.00 1.34 H new ATOM 1409 N ARG A 88 8.283 5.977 -5.325 1.00 22.33 N ATOM 1410 CA ARG A 88 8.532 7.343 -5.851 1.00 33.42 C ATOM 1411 C ARG A 88 8.670 8.383 -4.703 1.00 60.13 C ATOM 1412 O ARG A 88 8.184 8.168 -3.586 1.00 14.44 O ATOM 1413 CB ARG A 88 7.415 7.769 -6.862 1.00 21.45 C ATOM 1414 CG ARG A 88 6.058 8.198 -6.238 1.00 52.34 C ATOM 1415 CD ARG A 88 5.006 8.601 -7.307 1.00 74.42 C ATOM 1416 NE ARG A 88 3.914 9.436 -6.751 1.00 23.21 N ATOM 1417 CZ ARG A 88 2.624 9.260 -6.956 1.00 64.13 C ATOM 1418 NH1 ARG A 88 2.177 8.221 -7.586 1.00 5.24 N ATOM 1419 NH2 ARG A 88 1.775 10.133 -6.527 1.00 34.22 N ATOM 0 H ARG A 88 7.310 5.678 -5.398 1.00 22.33 H new ATOM 0 HA ARG A 88 9.481 7.318 -6.386 1.00 33.42 H new ATOM 0 HB2 ARG A 88 7.793 8.596 -7.463 1.00 21.45 H new ATOM 0 HB3 ARG A 88 7.232 6.937 -7.543 1.00 21.45 H new ATOM 0 HG2 ARG A 88 5.664 7.378 -5.638 1.00 52.34 H new ATOM 0 HG3 ARG A 88 6.223 9.037 -5.562 1.00 52.34 H new ATOM 0 HD2 ARG A 88 5.501 9.146 -8.110 1.00 74.42 H new ATOM 0 HD3 ARG A 88 4.580 7.700 -7.749 1.00 74.42 H new ATOM 0 HE ARG A 88 4.186 10.218 -6.155 1.00 23.21 H new ATOM 0 HH11 ARG A 88 2.828 7.517 -7.935 1.00 5.24 H new ATOM 0 HH12 ARG A 88 1.174 8.106 -7.733 1.00 5.24 H new ATOM 0 HH21 ARG A 88 2.102 10.961 -6.029 1.00 34.22 H new ATOM 0 HH22 ARG A 88 0.777 9.995 -6.687 1.00 34.22 H new ATOM 1433 N ALA A 89 9.338 9.508 -5.002 1.00 24.24 N ATOM 1434 CA ALA A 89 9.623 10.578 -4.023 1.00 75.13 C ATOM 1435 C ALA A 89 8.812 11.864 -4.343 1.00 50.11 C ATOM 1436 O ALA A 89 8.949 12.410 -5.446 1.00 22.53 O ATOM 1437 CB ALA A 89 11.135 10.877 -4.010 1.00 42.22 C ATOM 0 H ALA A 89 9.700 9.706 -5.935 1.00 24.24 H new ATOM 0 HA ALA A 89 9.317 10.236 -3.034 1.00 75.13 H new ATOM 0 HB1 ALA A 89 11.344 11.666 -3.288 1.00 42.22 H new ATOM 0 HB2 ALA A 89 11.682 9.976 -3.731 1.00 42.22 H new ATOM 0 HB3 ALA A 89 11.450 11.200 -5.002 1.00 42.22 H new ATOM 1443 N PRO A 90 7.946 12.374 -3.400 1.00 24.51 N ATOM 1444 CA PRO A 90 7.238 13.662 -3.587 1.00 15.23 C ATOM 1445 C PRO A 90 8.180 14.867 -3.326 1.00 74.15 C ATOM 1446 O PRO A 90 8.166 15.486 -2.256 1.00 25.03 O ATOM 1447 CB PRO A 90 6.080 13.577 -2.566 1.00 12.53 C ATOM 1448 CG PRO A 90 6.614 12.718 -1.457 1.00 64.11 C ATOM 1449 CD PRO A 90 7.598 11.743 -2.097 1.00 1.35 C ATOM 0 HA PRO A 90 6.880 13.819 -4.604 1.00 15.23 H new ATOM 0 HB2 PRO A 90 5.800 14.565 -2.202 1.00 12.53 H new ATOM 0 HB3 PRO A 90 5.189 13.137 -3.014 1.00 12.53 H new ATOM 0 HG2 PRO A 90 7.108 13.326 -0.699 1.00 64.11 H new ATOM 0 HG3 PRO A 90 5.806 12.182 -0.958 1.00 64.11 H new ATOM 0 HD2 PRO A 90 8.482 11.603 -1.474 1.00 1.35 H new ATOM 0 HD3 PRO A 90 7.149 10.760 -2.238 1.00 1.35 H new ATOM 1457 N TYR A 91 9.022 15.157 -4.327 1.00 33.41 N ATOM 1458 CA TYR A 91 10.090 16.182 -4.234 1.00 3.15 C ATOM 1459 C TYR A 91 9.537 17.626 -4.309 1.00 14.10 C ATOM 1460 O TYR A 91 10.191 18.569 -3.854 1.00 0.24 O ATOM 1461 CB TYR A 91 11.149 15.943 -5.350 1.00 54.11 C ATOM 1462 CG TYR A 91 10.590 15.999 -6.789 1.00 65.42 C ATOM 1463 CD1 TYR A 91 10.541 17.203 -7.503 1.00 1.50 C ATOM 1464 CD2 TYR A 91 10.096 14.853 -7.423 1.00 75.44 C ATOM 1465 CE1 TYR A 91 10.026 17.259 -8.781 1.00 12.43 C ATOM 1466 CE2 TYR A 91 9.582 14.907 -8.707 1.00 1.30 C ATOM 1467 CZ TYR A 91 9.546 16.109 -9.381 1.00 72.21 C ATOM 1468 OH TYR A 91 9.027 16.165 -10.662 1.00 74.54 O ATOM 0 H TYR A 91 8.988 14.689 -5.232 1.00 33.41 H new ATOM 0 HA TYR A 91 10.559 16.078 -3.256 1.00 3.15 H new ATOM 0 HB2 TYR A 91 11.937 16.690 -5.251 1.00 54.11 H new ATOM 0 HB3 TYR A 91 11.611 14.969 -5.191 1.00 54.11 H new ATOM 0 HD1 TYR A 91 10.914 18.106 -7.043 1.00 1.50 H new ATOM 0 HD2 TYR A 91 10.116 13.908 -6.900 1.00 75.44 H new ATOM 0 HE1 TYR A 91 9.998 18.199 -9.312 1.00 12.43 H new ATOM 0 HE2 TYR A 91 9.210 14.010 -9.180 1.00 1.30 H new ATOM 0 HH TYR A 91 8.735 15.271 -10.936 1.00 74.54 H new ATOM 1478 N ASP A 92 8.330 17.792 -4.885 1.00 21.14 N ATOM 1479 CA ASP A 92 7.742 19.129 -5.136 1.00 21.43 C ATOM 1480 C ASP A 92 6.499 19.381 -4.252 1.00 35.53 C ATOM 1481 O ASP A 92 5.843 18.442 -3.787 1.00 21.14 O ATOM 1482 CB ASP A 92 7.389 19.286 -6.637 1.00 22.23 C ATOM 1483 CG ASP A 92 6.338 18.277 -7.126 1.00 10.01 C ATOM 1484 OD1 ASP A 92 6.698 17.100 -7.359 1.00 51.23 O ATOM 1485 OD2 ASP A 92 5.156 18.661 -7.287 1.00 21.10 O ATOM 0 H ASP A 92 7.740 17.017 -5.187 1.00 21.14 H new ATOM 0 HA ASP A 92 8.488 19.878 -4.869 1.00 21.43 H new ATOM 0 HB2 ASP A 92 7.020 20.297 -6.812 1.00 22.23 H new ATOM 0 HB3 ASP A 92 8.296 19.170 -7.230 1.00 22.23 H new ATOM 1490 N GLN A 93 6.184 20.675 -4.069 1.00 52.20 N ATOM 1491 CA GLN A 93 5.066 21.144 -3.211 1.00 53.13 C ATOM 1492 C GLN A 93 3.676 20.712 -3.734 1.00 51.51 C ATOM 1493 O GLN A 93 2.804 20.383 -2.936 1.00 52.52 O ATOM 1494 CB GLN A 93 5.124 22.697 -3.058 1.00 52.33 C ATOM 1495 CG GLN A 93 6.218 23.220 -2.102 1.00 24.22 C ATOM 1496 CD GLN A 93 5.978 22.794 -0.649 1.00 61.23 C ATOM 1497 OE1 GLN A 93 5.282 23.471 0.104 1.00 20.42 O ATOM 1498 NE2 GLN A 93 6.535 21.669 -0.246 1.00 12.21 N ATOM 0 H GLN A 93 6.698 21.436 -4.513 1.00 52.20 H new ATOM 0 HA GLN A 93 5.195 20.669 -2.238 1.00 53.13 H new ATOM 0 HB2 GLN A 93 5.282 23.138 -4.042 1.00 52.33 H new ATOM 0 HB3 GLN A 93 4.155 23.048 -2.703 1.00 52.33 H new ATOM 0 HG2 GLN A 93 7.190 22.851 -2.430 1.00 24.22 H new ATOM 0 HG3 GLN A 93 6.255 24.308 -2.157 1.00 24.22 H new ATOM 0 HE21 GLN A 93 7.109 21.125 -0.890 1.00 12.21 H new ATOM 0 HE22 GLN A 93 6.392 21.343 0.710 1.00 12.21 H new ATOM 1507 N ALA A 94 3.483 20.704 -5.061 1.00 21.40 N ATOM 1508 CA ALA A 94 2.176 20.368 -5.677 1.00 63.10 C ATOM 1509 C ALA A 94 1.784 18.891 -5.445 1.00 31.20 C ATOM 1510 O ALA A 94 0.612 18.582 -5.228 1.00 51.05 O ATOM 1511 CB ALA A 94 2.196 20.694 -7.173 1.00 51.43 C ATOM 0 H ALA A 94 4.214 20.926 -5.737 1.00 21.40 H new ATOM 0 HA ALA A 94 1.417 20.980 -5.189 1.00 63.10 H new ATOM 0 HB1 ALA A 94 1.231 20.443 -7.613 1.00 51.43 H new ATOM 0 HB2 ALA A 94 2.392 21.757 -7.311 1.00 51.43 H new ATOM 0 HB3 ALA A 94 2.979 20.114 -7.661 1.00 51.43 H new ATOM 1517 N GLU A 95 2.783 17.995 -5.476 1.00 71.02 N ATOM 1518 CA GLU A 95 2.579 16.542 -5.277 1.00 25.21 C ATOM 1519 C GLU A 95 2.217 16.220 -3.802 1.00 42.40 C ATOM 1520 O GLU A 95 1.274 15.462 -3.529 1.00 71.10 O ATOM 1521 CB GLU A 95 3.864 15.787 -5.708 1.00 4.11 C ATOM 1522 CG GLU A 95 3.802 14.246 -5.628 1.00 53.13 C ATOM 1523 CD GLU A 95 2.772 13.581 -6.572 1.00 44.24 C ATOM 1524 OE1 GLU A 95 3.021 13.528 -7.794 1.00 22.10 O ATOM 1525 OE2 GLU A 95 1.717 13.091 -6.093 1.00 40.22 O ATOM 0 H GLU A 95 3.756 18.252 -5.639 1.00 71.02 H new ATOM 0 HA GLU A 95 1.741 16.214 -5.892 1.00 25.21 H new ATOM 0 HB2 GLU A 95 4.100 16.069 -6.734 1.00 4.11 H new ATOM 0 HB3 GLU A 95 4.690 16.131 -5.085 1.00 4.11 H new ATOM 0 HG2 GLU A 95 4.790 13.846 -5.854 1.00 53.13 H new ATOM 0 HG3 GLU A 95 3.569 13.960 -4.602 1.00 53.13 H new ATOM 1532 N VAL A 96 2.964 16.821 -2.855 1.00 40.14 N ATOM 1533 CA VAL A 96 2.713 16.655 -1.400 1.00 41.42 C ATOM 1534 C VAL A 96 1.342 17.261 -0.997 1.00 5.14 C ATOM 1535 O VAL A 96 0.504 16.581 -0.409 1.00 11.24 O ATOM 1536 CB VAL A 96 3.859 17.309 -0.533 1.00 62.33 C ATOM 1537 CG1 VAL A 96 3.619 17.103 0.986 1.00 74.11 C ATOM 1538 CG2 VAL A 96 5.247 16.766 -0.944 1.00 31.52 C ATOM 0 H VAL A 96 3.753 17.431 -3.069 1.00 40.14 H new ATOM 0 HA VAL A 96 2.700 15.583 -1.201 1.00 41.42 H new ATOM 0 HB VAL A 96 3.838 18.381 -0.729 1.00 62.33 H new ATOM 0 HG11 VAL A 96 4.429 17.567 1.549 1.00 74.11 H new ATOM 0 HG12 VAL A 96 2.671 17.560 1.270 1.00 74.11 H new ATOM 0 HG13 VAL A 96 3.588 16.036 1.208 1.00 74.11 H new ATOM 0 HG21 VAL A 96 6.017 17.234 -0.330 1.00 31.52 H new ATOM 0 HG22 VAL A 96 5.273 15.686 -0.798 1.00 31.52 H new ATOM 0 HG23 VAL A 96 5.431 16.995 -1.994 1.00 31.52 H new ATOM 1548 N ALA A 97 1.130 18.539 -1.364 1.00 34.52 N ATOM 1549 CA ALA A 97 -0.100 19.313 -1.041 1.00 74.33 C ATOM 1550 C ALA A 97 -1.383 18.697 -1.651 1.00 14.51 C ATOM 1551 O ALA A 97 -2.468 18.813 -1.061 1.00 24.04 O ATOM 1552 CB ALA A 97 0.059 20.770 -1.496 1.00 31.24 C ATOM 0 H ALA A 97 1.812 19.076 -1.900 1.00 34.52 H new ATOM 0 HA ALA A 97 -0.221 19.275 0.042 1.00 74.33 H new ATOM 0 HB1 ALA A 97 -0.846 21.327 -1.255 1.00 31.24 H new ATOM 0 HB2 ALA A 97 0.909 21.220 -0.984 1.00 31.24 H new ATOM 0 HB3 ALA A 97 0.227 20.799 -2.573 1.00 31.24 H new ATOM 1558 N ALA A 98 -1.255 18.051 -2.829 1.00 74.31 N ATOM 1559 CA ALA A 98 -2.381 17.335 -3.483 1.00 53.34 C ATOM 1560 C ALA A 98 -2.911 16.186 -2.591 1.00 14.02 C ATOM 1561 O ALA A 98 -4.109 16.095 -2.318 1.00 32.45 O ATOM 1562 CB ALA A 98 -1.937 16.780 -4.847 1.00 42.21 C ATOM 0 H ALA A 98 -0.380 18.008 -3.352 1.00 74.31 H new ATOM 0 HA ALA A 98 -3.191 18.049 -3.632 1.00 53.34 H new ATOM 0 HB1 ALA A 98 -2.771 16.258 -5.316 1.00 42.21 H new ATOM 0 HB2 ALA A 98 -1.617 17.602 -5.488 1.00 42.21 H new ATOM 0 HB3 ALA A 98 -1.108 16.087 -4.705 1.00 42.21 H new ATOM 1568 N HIS A 99 -1.976 15.350 -2.110 1.00 3.40 N ATOM 1569 CA HIS A 99 -2.280 14.188 -1.240 1.00 71.34 C ATOM 1570 C HIS A 99 -2.615 14.612 0.201 1.00 22.24 C ATOM 1571 O HIS A 99 -3.320 13.893 0.910 1.00 54.41 O ATOM 1572 CB HIS A 99 -1.118 13.176 -1.290 1.00 75.12 C ATOM 1573 CG HIS A 99 -1.008 12.511 -2.631 1.00 22.24 C ATOM 1574 ND1 HIS A 99 -1.334 11.196 -2.853 1.00 22.12 N ATOM 1575 CD2 HIS A 99 -0.652 13.009 -3.835 1.00 71.10 C ATOM 1576 CE1 HIS A 99 -1.175 10.914 -4.128 1.00 52.04 C ATOM 1577 NE2 HIS A 99 -0.760 11.999 -4.749 1.00 13.15 N ATOM 0 H HIS A 99 -0.982 15.457 -2.311 1.00 3.40 H new ATOM 0 HA HIS A 99 -3.176 13.701 -1.624 1.00 71.34 H new ATOM 0 HB2 HIS A 99 -0.183 13.687 -1.061 1.00 75.12 H new ATOM 0 HB3 HIS A 99 -1.264 12.418 -0.520 1.00 75.12 H new ATOM 0 HD2 HIS A 99 -0.339 14.022 -4.039 1.00 71.10 H new ATOM 0 HE1 HIS A 99 -1.355 9.954 -4.588 1.00 52.04 H new ATOM 0 HE2 HIS A 99 -0.554 12.073 -5.745 1.00 13.15 H new ATOM 1586 N ALA A 100 -2.083 15.768 0.632 1.00 22.33 N ATOM 1587 CA ALA A 100 -2.498 16.419 1.887 1.00 51.55 C ATOM 1588 C ALA A 100 -4.008 16.743 1.866 1.00 23.30 C ATOM 1589 O ALA A 100 -4.750 16.362 2.771 1.00 31.53 O ATOM 1590 CB ALA A 100 -1.656 17.680 2.146 1.00 24.52 C ATOM 0 H ALA A 100 -1.358 16.275 0.125 1.00 22.33 H new ATOM 0 HA ALA A 100 -2.323 15.725 2.709 1.00 51.55 H new ATOM 0 HB1 ALA A 100 -1.977 18.147 3.077 1.00 24.52 H new ATOM 0 HB2 ALA A 100 -0.604 17.406 2.222 1.00 24.52 H new ATOM 0 HB3 ALA A 100 -1.790 18.382 1.323 1.00 24.52 H new ATOM 1596 N ALA A 101 -4.451 17.391 0.777 1.00 0.13 N ATOM 1597 CA ALA A 101 -5.871 17.751 0.574 1.00 1.03 C ATOM 1598 C ALA A 101 -6.762 16.504 0.322 1.00 43.23 C ATOM 1599 O ALA A 101 -7.937 16.500 0.684 1.00 42.10 O ATOM 1600 CB ALA A 101 -5.998 18.756 -0.585 1.00 73.20 C ATOM 0 H ALA A 101 -3.841 17.681 0.013 1.00 0.13 H new ATOM 0 HA ALA A 101 -6.230 18.215 1.492 1.00 1.03 H new ATOM 0 HB1 ALA A 101 -7.047 19.016 -0.728 1.00 73.20 H new ATOM 0 HB2 ALA A 101 -5.430 19.656 -0.350 1.00 73.20 H new ATOM 0 HB3 ALA A 101 -5.607 18.309 -1.499 1.00 73.20 H new ATOM 1606 N THR A 102 -6.187 15.452 -0.293 1.00 43.20 N ATOM 1607 CA THR A 102 -6.904 14.171 -0.530 1.00 41.22 C ATOM 1608 C THR A 102 -7.190 13.447 0.812 1.00 12.31 C ATOM 1609 O THR A 102 -8.326 13.077 1.097 1.00 5.10 O ATOM 1610 CB THR A 102 -6.098 13.218 -1.485 1.00 40.44 C ATOM 1611 OG1 THR A 102 -5.821 13.882 -2.735 1.00 43.04 O ATOM 1612 CG2 THR A 102 -6.851 11.906 -1.780 1.00 51.10 C ATOM 0 H THR A 102 -5.227 15.458 -0.637 1.00 43.20 H new ATOM 0 HA THR A 102 -7.848 14.417 -1.015 1.00 41.22 H new ATOM 0 HB THR A 102 -5.170 12.971 -0.969 1.00 40.44 H new ATOM 0 HG1 THR A 102 -5.229 14.646 -2.575 1.00 43.04 H new ATOM 0 HG21 THR A 102 -6.251 11.284 -2.444 1.00 51.10 H new ATOM 0 HG22 THR A 102 -7.031 11.372 -0.847 1.00 51.10 H new ATOM 0 HG23 THR A 102 -7.804 12.133 -2.258 1.00 51.10 H new ATOM 1620 N TYR A 103 -6.145 13.284 1.638 1.00 3.24 N ATOM 1621 CA TYR A 103 -6.240 12.650 2.972 1.00 32.04 C ATOM 1622 C TYR A 103 -7.169 13.438 3.940 1.00 21.43 C ATOM 1623 O TYR A 103 -7.957 12.844 4.675 1.00 73.52 O ATOM 1624 CB TYR A 103 -4.810 12.520 3.561 1.00 51.15 C ATOM 1625 CG TYR A 103 -4.716 11.922 4.980 1.00 41.43 C ATOM 1626 CD1 TYR A 103 -4.768 12.740 6.117 1.00 12.40 C ATOM 1627 CD2 TYR A 103 -4.551 10.549 5.180 1.00 22.55 C ATOM 1628 CE1 TYR A 103 -4.667 12.211 7.385 1.00 14.02 C ATOM 1629 CE2 TYR A 103 -4.447 10.018 6.456 1.00 5.15 C ATOM 1630 CZ TYR A 103 -4.506 10.854 7.554 1.00 40.40 C ATOM 1631 OH TYR A 103 -4.403 10.329 8.828 1.00 31.22 O ATOM 0 H TYR A 103 -5.201 13.589 1.402 1.00 3.24 H new ATOM 0 HA TYR A 103 -6.690 11.664 2.856 1.00 32.04 H new ATOM 0 HB2 TYR A 103 -4.216 11.902 2.888 1.00 51.15 H new ATOM 0 HB3 TYR A 103 -4.352 13.509 3.574 1.00 51.15 H new ATOM 0 HD1 TYR A 103 -4.890 13.806 5.997 1.00 12.40 H new ATOM 0 HD2 TYR A 103 -4.504 9.890 4.326 1.00 22.55 H new ATOM 0 HE1 TYR A 103 -4.714 12.861 8.246 1.00 14.02 H new ATOM 0 HE2 TYR A 103 -4.320 8.954 6.591 1.00 5.15 H new ATOM 0 HH TYR A 103 -3.917 10.957 9.402 1.00 31.22 H new ATOM 1641 N HIS A 104 -7.043 14.775 3.967 1.00 12.20 N ATOM 1642 CA HIS A 104 -7.821 15.630 4.901 1.00 72.03 C ATOM 1643 C HIS A 104 -9.299 15.838 4.455 1.00 62.33 C ATOM 1644 O HIS A 104 -10.217 15.723 5.275 1.00 12.54 O ATOM 1645 CB HIS A 104 -7.099 16.986 5.131 1.00 22.05 C ATOM 1646 CG HIS A 104 -5.787 16.857 5.881 1.00 74.53 C ATOM 1647 ND1 HIS A 104 -5.657 16.112 7.034 1.00 51.02 N ATOM 1648 CD2 HIS A 104 -4.554 17.375 5.647 1.00 3.31 C ATOM 1649 CE1 HIS A 104 -4.419 16.175 7.471 1.00 0.30 C ATOM 1650 NE2 HIS A 104 -3.728 16.931 6.649 1.00 50.23 N ATOM 0 H HIS A 104 -6.412 15.294 3.356 1.00 12.20 H new ATOM 0 HA HIS A 104 -7.870 15.096 5.850 1.00 72.03 H new ATOM 0 HB2 HIS A 104 -6.911 17.456 4.166 1.00 22.05 H new ATOM 0 HB3 HIS A 104 -7.761 17.651 5.686 1.00 22.05 H new ATOM 0 HD2 HIS A 104 -4.275 18.017 4.825 1.00 3.31 H new ATOM 0 HE1 HIS A 104 -4.035 15.688 8.355 1.00 0.30 H new ATOM 0 HE2 HIS A 104 -2.737 17.153 6.741 1.00 50.23 H new ATOM 1659 N SER A 105 -9.525 16.148 3.161 1.00 61.43 N ATOM 1660 CA SER A 105 -10.897 16.456 2.640 1.00 73.34 C ATOM 1661 C SER A 105 -11.692 15.188 2.222 1.00 10.32 C ATOM 1662 O SER A 105 -12.905 15.116 2.446 1.00 13.31 O ATOM 1663 CB SER A 105 -10.813 17.436 1.443 1.00 30.11 C ATOM 1664 OG SER A 105 -12.090 17.724 0.886 1.00 21.22 O ATOM 0 H SER A 105 -8.791 16.195 2.455 1.00 61.43 H new ATOM 0 HA SER A 105 -11.440 16.918 3.464 1.00 73.34 H new ATOM 0 HB2 SER A 105 -10.345 18.364 1.770 1.00 30.11 H new ATOM 0 HB3 SER A 105 -10.171 17.009 0.672 1.00 30.11 H new ATOM 0 HG SER A 105 -11.987 18.346 0.136 1.00 21.22 H new ATOM 1670 N HIS A 106 -11.011 14.190 1.618 1.00 14.52 N ATOM 1671 CA HIS A 106 -11.665 12.926 1.142 1.00 54.21 C ATOM 1672 C HIS A 106 -11.433 11.733 2.107 1.00 62.15 C ATOM 1673 O HIS A 106 -12.097 10.698 1.984 1.00 62.51 O ATOM 1674 CB HIS A 106 -11.130 12.546 -0.263 1.00 54.21 C ATOM 1675 CG HIS A 106 -11.403 13.540 -1.354 1.00 41.54 C ATOM 1676 ND1 HIS A 106 -12.290 13.300 -2.386 1.00 62.01 N ATOM 1677 CD2 HIS A 106 -10.874 14.760 -1.605 1.00 44.23 C ATOM 1678 CE1 HIS A 106 -12.294 14.319 -3.210 1.00 40.24 C ATOM 1679 NE2 HIS A 106 -11.447 15.217 -2.764 1.00 12.41 N ATOM 0 H HIS A 106 -10.007 14.224 1.443 1.00 14.52 H new ATOM 0 HA HIS A 106 -12.736 13.123 1.104 1.00 54.21 H new ATOM 0 HB2 HIS A 106 -10.052 12.397 -0.193 1.00 54.21 H new ATOM 0 HB3 HIS A 106 -11.566 11.589 -0.551 1.00 54.21 H new ATOM 0 HD2 HIS A 106 -10.139 15.276 -1.005 1.00 44.23 H new ATOM 0 HE1 HIS A 106 -12.893 14.405 -4.105 1.00 40.24 H new ATOM 0 HE2 HIS A 106 -11.247 16.113 -3.209 1.00 12.41 H new ATOM 1688 N GLY A 107 -10.474 11.877 3.030 1.00 23.43 N ATOM 1689 CA GLY A 107 -10.143 10.812 3.994 1.00 52.50 C ATOM 1690 C GLY A 107 -8.997 9.892 3.542 1.00 23.05 C ATOM 1691 O GLY A 107 -8.600 9.901 2.366 1.00 43.13 O ATOM 0 H GLY A 107 -9.911 12.721 3.132 1.00 23.43 H new ATOM 0 HA2 GLY A 107 -9.874 11.269 4.946 1.00 52.50 H new ATOM 0 HA3 GLY A 107 -11.032 10.207 4.171 1.00 52.50 H new ATOM 1695 N TYR A 108 -8.476 9.093 4.499 1.00 0.34 N ATOM 1696 CA TYR A 108 -7.338 8.161 4.278 1.00 52.15 C ATOM 1697 C TYR A 108 -7.616 7.119 3.165 1.00 61.45 C ATOM 1698 O TYR A 108 -6.696 6.707 2.454 1.00 1.31 O ATOM 1699 CB TYR A 108 -6.963 7.440 5.606 1.00 3.11 C ATOM 1700 CG TYR A 108 -8.021 6.443 6.139 1.00 15.42 C ATOM 1701 CD1 TYR A 108 -9.175 6.886 6.798 1.00 65.12 C ATOM 1702 CD2 TYR A 108 -7.857 5.061 5.986 1.00 61.35 C ATOM 1703 CE1 TYR A 108 -10.113 5.992 7.280 1.00 32.04 C ATOM 1704 CE2 TYR A 108 -8.798 4.167 6.463 1.00 63.04 C ATOM 1705 CZ TYR A 108 -9.921 4.636 7.110 1.00 11.13 C ATOM 1706 OH TYR A 108 -10.865 3.748 7.589 1.00 31.11 O ATOM 0 H TYR A 108 -8.833 9.073 5.454 1.00 0.34 H new ATOM 0 HA TYR A 108 -6.498 8.768 3.940 1.00 52.15 H new ATOM 0 HB2 TYR A 108 -6.025 6.904 5.457 1.00 3.11 H new ATOM 0 HB3 TYR A 108 -6.781 8.195 6.371 1.00 3.11 H new ATOM 0 HD1 TYR A 108 -9.335 7.946 6.932 1.00 65.12 H new ATOM 0 HD2 TYR A 108 -6.977 4.685 5.485 1.00 61.35 H new ATOM 0 HE1 TYR A 108 -10.994 6.354 7.789 1.00 32.04 H new ATOM 0 HE2 TYR A 108 -8.653 3.105 6.329 1.00 63.04 H new ATOM 0 HH TYR A 108 -10.583 2.831 7.389 1.00 31.11 H new ATOM 1716 N ASP A 109 -8.897 6.704 3.040 1.00 11.24 N ATOM 1717 CA ASP A 109 -9.341 5.728 2.019 1.00 61.13 C ATOM 1718 C ASP A 109 -8.986 6.211 0.605 1.00 53.45 C ATOM 1719 O ASP A 109 -8.308 5.515 -0.142 1.00 52.20 O ATOM 1720 CB ASP A 109 -10.867 5.502 2.119 1.00 60.52 C ATOM 1721 CG ASP A 109 -11.291 4.988 3.497 1.00 33.13 C ATOM 1722 OD1 ASP A 109 -11.249 3.760 3.717 1.00 23.21 O ATOM 1723 OD2 ASP A 109 -11.655 5.812 4.360 1.00 34.43 O ATOM 0 H ASP A 109 -9.650 7.035 3.643 1.00 11.24 H new ATOM 0 HA ASP A 109 -8.823 4.788 2.208 1.00 61.13 H new ATOM 0 HB2 ASP A 109 -11.385 6.438 1.908 1.00 60.52 H new ATOM 0 HB3 ASP A 109 -11.177 4.787 1.356 1.00 60.52 H new ATOM 1728 N ALA A 110 -9.382 7.455 0.298 1.00 23.55 N ATOM 1729 CA ALA A 110 -9.178 8.061 -1.029 1.00 64.40 C ATOM 1730 C ALA A 110 -7.683 8.267 -1.363 1.00 21.34 C ATOM 1731 O ALA A 110 -7.297 8.170 -2.530 1.00 11.43 O ATOM 1732 CB ALA A 110 -9.935 9.391 -1.118 1.00 73.14 C ATOM 0 H ALA A 110 -9.853 8.070 0.961 1.00 23.55 H new ATOM 0 HA ALA A 110 -9.573 7.365 -1.769 1.00 64.40 H new ATOM 0 HB1 ALA A 110 -9.779 9.833 -2.102 1.00 73.14 H new ATOM 0 HB2 ALA A 110 -11.000 9.215 -0.964 1.00 73.14 H new ATOM 0 HB3 ALA A 110 -9.565 10.072 -0.352 1.00 73.14 H new ATOM 1738 N ASP A 111 -6.855 8.555 -0.335 1.00 13.54 N ATOM 1739 CA ASP A 111 -5.397 8.765 -0.512 1.00 74.33 C ATOM 1740 C ASP A 111 -4.680 7.438 -0.873 1.00 30.33 C ATOM 1741 O ASP A 111 -4.014 7.356 -1.907 1.00 24.33 O ATOM 1742 CB ASP A 111 -4.776 9.407 0.762 1.00 62.42 C ATOM 1743 CG ASP A 111 -3.280 9.761 0.586 1.00 2.44 C ATOM 1744 OD1 ASP A 111 -2.967 10.585 -0.302 1.00 20.23 O ATOM 1745 OD2 ASP A 111 -2.420 9.202 1.308 1.00 30.03 O ATOM 0 H ASP A 111 -7.171 8.648 0.630 1.00 13.54 H new ATOM 0 HA ASP A 111 -5.254 9.455 -1.344 1.00 74.33 H new ATOM 0 HB2 ASP A 111 -5.331 10.310 1.016 1.00 62.42 H new ATOM 0 HB3 ASP A 111 -4.886 8.719 1.600 1.00 62.42 H new ATOM 1750 N ILE A 112 -4.859 6.398 -0.034 1.00 74.31 N ATOM 1751 CA ILE A 112 -4.233 5.063 -0.244 1.00 55.11 C ATOM 1752 C ILE A 112 -4.744 4.395 -1.557 1.00 2.01 C ATOM 1753 O ILE A 112 -3.945 3.919 -2.376 1.00 0.14 O ATOM 1754 CB ILE A 112 -4.450 4.110 1.008 1.00 25.02 C ATOM 1755 CG1 ILE A 112 -3.455 4.452 2.184 1.00 64.33 C ATOM 1756 CG2 ILE A 112 -4.345 2.605 0.628 1.00 2.22 C ATOM 1757 CD1 ILE A 112 -3.606 5.834 2.810 1.00 1.15 C ATOM 0 H ILE A 112 -5.436 6.452 0.805 1.00 74.31 H new ATOM 0 HA ILE A 112 -3.160 5.223 -0.350 1.00 55.11 H new ATOM 0 HB ILE A 112 -5.466 4.293 1.358 1.00 25.02 H new ATOM 0 HG12 ILE A 112 -3.580 3.705 2.968 1.00 64.33 H new ATOM 0 HG13 ILE A 112 -2.436 4.354 1.810 1.00 64.33 H new ATOM 0 HG21 ILE A 112 -4.500 1.994 1.517 1.00 2.22 H new ATOM 0 HG22 ILE A 112 -5.104 2.364 -0.116 1.00 2.22 H new ATOM 0 HG23 ILE A 112 -3.356 2.402 0.216 1.00 2.22 H new ATOM 0 HD11 ILE A 112 -2.871 5.955 3.605 1.00 1.15 H new ATOM 0 HD12 ILE A 112 -3.447 6.598 2.049 1.00 1.15 H new ATOM 0 HD13 ILE A 112 -4.609 5.938 3.224 1.00 1.15 H new ATOM 1769 N ASN A 113 -6.077 4.401 -1.751 1.00 65.11 N ATOM 1770 CA ASN A 113 -6.729 3.879 -2.980 1.00 32.01 C ATOM 1771 C ASN A 113 -6.278 4.652 -4.245 1.00 54.30 C ATOM 1772 O ASN A 113 -6.278 4.085 -5.329 1.00 31.15 O ATOM 1773 CB ASN A 113 -8.276 3.880 -2.852 1.00 42.25 C ATOM 1774 CG ASN A 113 -8.814 2.674 -2.074 1.00 14.10 C ATOM 1775 OD1 ASN A 113 -9.179 1.665 -2.663 1.00 0.43 O ATOM 1776 ND2 ASN A 113 -8.835 2.747 -0.758 1.00 41.23 N ATOM 0 H ASN A 113 -6.737 4.766 -1.064 1.00 65.11 H new ATOM 0 HA ASN A 113 -6.405 2.845 -3.093 1.00 32.01 H new ATOM 0 HB2 ASN A 113 -8.593 4.797 -2.355 1.00 42.25 H new ATOM 0 HB3 ASN A 113 -8.717 3.889 -3.849 1.00 42.25 H new ATOM 0 HD21 ASN A 113 -9.160 1.952 -0.208 1.00 41.23 H new ATOM 0 HD22 ASN A 113 -8.526 3.599 -0.289 1.00 41.23 H new ATOM 1783 N SER A 114 -5.911 5.947 -4.094 1.00 33.30 N ATOM 1784 CA SER A 114 -5.334 6.758 -5.207 1.00 10.20 C ATOM 1785 C SER A 114 -4.041 6.125 -5.777 1.00 54.02 C ATOM 1786 O SER A 114 -3.795 6.207 -6.982 1.00 2.10 O ATOM 1787 CB SER A 114 -5.042 8.211 -4.754 1.00 34.13 C ATOM 1788 OG SER A 114 -4.483 8.999 -5.801 1.00 33.22 O ATOM 0 H SER A 114 -6.002 6.457 -3.215 1.00 33.30 H new ATOM 0 HA SER A 114 -6.085 6.775 -5.997 1.00 10.20 H new ATOM 0 HB2 SER A 114 -5.966 8.674 -4.407 1.00 34.13 H new ATOM 0 HB3 SER A 114 -4.355 8.195 -3.908 1.00 34.13 H new ATOM 0 HG SER A 114 -4.316 9.907 -5.473 1.00 33.22 H new ATOM 1794 N TYR A 115 -3.213 5.494 -4.905 1.00 11.22 N ATOM 1795 CA TYR A 115 -1.988 4.784 -5.356 1.00 51.12 C ATOM 1796 C TYR A 115 -2.356 3.410 -5.955 1.00 74.54 C ATOM 1797 O TYR A 115 -1.872 3.040 -7.016 1.00 50.44 O ATOM 1798 CB TYR A 115 -1.002 4.566 -4.174 1.00 2.13 C ATOM 1799 CG TYR A 115 -0.731 5.820 -3.335 1.00 14.14 C ATOM 1800 CD1 TYR A 115 -0.006 6.898 -3.840 1.00 13.42 C ATOM 1801 CD2 TYR A 115 -1.223 5.928 -2.039 1.00 63.04 C ATOM 1802 CE1 TYR A 115 0.215 8.022 -3.077 1.00 34.04 C ATOM 1803 CE2 TYR A 115 -1.014 7.052 -1.278 1.00 31.05 C ATOM 1804 CZ TYR A 115 -0.299 8.097 -1.794 1.00 52.40 C ATOM 1805 OH TYR A 115 -0.106 9.232 -1.040 1.00 12.54 O ATOM 0 H TYR A 115 -3.369 5.462 -3.897 1.00 11.22 H new ATOM 0 HA TYR A 115 -1.508 5.403 -6.113 1.00 51.12 H new ATOM 0 HB2 TYR A 115 -1.401 3.788 -3.523 1.00 2.13 H new ATOM 0 HB3 TYR A 115 -0.056 4.197 -4.570 1.00 2.13 H new ATOM 0 HD1 TYR A 115 0.388 6.851 -4.844 1.00 13.42 H new ATOM 0 HD2 TYR A 115 -1.784 5.106 -1.620 1.00 63.04 H new ATOM 0 HE1 TYR A 115 0.789 8.844 -3.479 1.00 34.04 H new ATOM 0 HE2 TYR A 115 -1.413 7.110 -0.276 1.00 31.05 H new ATOM 0 HH TYR A 115 -0.470 10.007 -1.517 1.00 12.54 H new ATOM 1815 N ILE A 116 -3.295 2.712 -5.290 1.00 61.21 N ATOM 1816 CA ILE A 116 -3.708 1.328 -5.637 1.00 75.30 C ATOM 1817 C ILE A 116 -4.475 1.272 -6.990 1.00 20.34 C ATOM 1818 O ILE A 116 -4.388 0.286 -7.735 1.00 0.53 O ATOM 1819 CB ILE A 116 -4.585 0.729 -4.463 1.00 54.31 C ATOM 1820 CG1 ILE A 116 -3.776 0.725 -3.119 1.00 2.22 C ATOM 1821 CG2 ILE A 116 -5.130 -0.682 -4.790 1.00 34.44 C ATOM 1822 CD1 ILE A 116 -2.502 -0.113 -3.133 1.00 72.02 C ATOM 0 H ILE A 116 -3.797 3.092 -4.487 1.00 61.21 H new ATOM 0 HA ILE A 116 -2.810 0.723 -5.761 1.00 75.30 H new ATOM 0 HB ILE A 116 -5.453 1.378 -4.347 1.00 54.31 H new ATOM 0 HG12 ILE A 116 -3.514 1.753 -2.868 1.00 2.22 H new ATOM 0 HG13 ILE A 116 -4.425 0.358 -2.324 1.00 2.22 H new ATOM 0 HG21 ILE A 116 -5.724 -1.046 -3.952 1.00 34.44 H new ATOM 0 HG22 ILE A 116 -5.754 -0.633 -5.683 1.00 34.44 H new ATOM 0 HG23 ILE A 116 -4.297 -1.362 -4.966 1.00 34.44 H new ATOM 0 HD11 ILE A 116 -2.015 -0.051 -2.160 1.00 72.02 H new ATOM 0 HD12 ILE A 116 -2.752 -1.152 -3.348 1.00 72.02 H new ATOM 0 HD13 ILE A 116 -1.827 0.264 -3.901 1.00 72.02 H new ATOM 1834 N ASP A 117 -5.195 2.356 -7.302 1.00 30.42 N ATOM 1835 CA ASP A 117 -6.041 2.458 -8.512 1.00 41.00 C ATOM 1836 C ASP A 117 -5.332 3.242 -9.654 1.00 21.30 C ATOM 1837 O ASP A 117 -5.826 3.271 -10.789 1.00 21.11 O ATOM 1838 CB ASP A 117 -7.396 3.116 -8.127 1.00 72.42 C ATOM 1839 CG ASP A 117 -8.469 3.011 -9.226 1.00 71.40 C ATOM 1840 OD1 ASP A 117 -8.830 1.872 -9.592 1.00 72.31 O ATOM 1841 OD2 ASP A 117 -8.937 4.053 -9.738 1.00 61.53 O ATOM 0 H ASP A 117 -5.212 3.196 -6.723 1.00 30.42 H new ATOM 0 HA ASP A 117 -6.223 1.455 -8.899 1.00 41.00 H new ATOM 0 HB2 ASP A 117 -7.772 2.647 -7.218 1.00 72.42 H new ATOM 0 HB3 ASP A 117 -7.227 4.168 -7.896 1.00 72.42 H new ATOM 1846 N SER A 118 -4.150 3.838 -9.371 1.00 61.42 N ATOM 1847 CA SER A 118 -3.414 4.681 -10.356 1.00 61.04 C ATOM 1848 C SER A 118 -2.807 3.833 -11.500 1.00 3.04 C ATOM 1849 O SER A 118 -2.310 2.729 -11.261 1.00 22.24 O ATOM 1850 CB SER A 118 -2.286 5.482 -9.663 1.00 43.32 C ATOM 1851 OG SER A 118 -1.670 6.396 -10.559 1.00 3.43 O ATOM 0 H SER A 118 -3.681 3.753 -8.469 1.00 61.42 H new ATOM 0 HA SER A 118 -4.141 5.371 -10.784 1.00 61.04 H new ATOM 0 HB2 SER A 118 -2.695 6.026 -8.811 1.00 43.32 H new ATOM 0 HB3 SER A 118 -1.537 4.794 -9.272 1.00 43.32 H new ATOM 0 HG SER A 118 -1.019 6.943 -10.072 1.00 3.43 H new ATOM 1857 N ALA A 119 -2.843 4.376 -12.737 1.00 22.22 N ATOM 1858 CA ALA A 119 -2.336 3.690 -13.954 1.00 75.22 C ATOM 1859 C ALA A 119 -0.814 3.403 -13.887 1.00 32.04 C ATOM 1860 O ALA A 119 -0.356 2.365 -14.364 1.00 0.44 O ATOM 1861 CB ALA A 119 -2.672 4.516 -15.212 1.00 11.50 C ATOM 0 H ALA A 119 -3.224 5.303 -12.924 1.00 22.22 H new ATOM 0 HA ALA A 119 -2.839 2.724 -14.009 1.00 75.22 H new ATOM 0 HB1 ALA A 119 -2.295 4.002 -16.096 1.00 11.50 H new ATOM 0 HB2 ALA A 119 -3.753 4.632 -15.293 1.00 11.50 H new ATOM 0 HB3 ALA A 119 -2.206 5.499 -15.137 1.00 11.50 H new ATOM 1867 N GLU A 120 -0.048 4.332 -13.278 1.00 73.22 N ATOM 1868 CA GLU A 120 1.423 4.193 -13.099 1.00 62.21 C ATOM 1869 C GLU A 120 1.781 2.981 -12.197 1.00 13.13 C ATOM 1870 O GLU A 120 2.746 2.262 -12.459 1.00 32.11 O ATOM 1871 CB GLU A 120 2.027 5.505 -12.513 1.00 4.43 C ATOM 1872 CG GLU A 120 1.546 5.870 -11.089 1.00 31.12 C ATOM 1873 CD GLU A 120 2.125 7.190 -10.560 1.00 70.32 C ATOM 1874 OE1 GLU A 120 3.273 7.188 -10.066 1.00 75.40 O ATOM 1875 OE2 GLU A 120 1.429 8.235 -10.625 1.00 61.23 O ATOM 0 H GLU A 120 -0.425 5.199 -12.896 1.00 73.22 H new ATOM 0 HA GLU A 120 1.858 4.011 -14.082 1.00 62.21 H new ATOM 0 HB2 GLU A 120 3.113 5.413 -12.500 1.00 4.43 H new ATOM 0 HB3 GLU A 120 1.785 6.329 -13.184 1.00 4.43 H new ATOM 0 HG2 GLU A 120 0.458 5.935 -11.088 1.00 31.12 H new ATOM 0 HG3 GLU A 120 1.818 5.065 -10.406 1.00 31.12 H new ATOM 1882 N TYR A 121 0.976 2.775 -11.143 1.00 14.13 N ATOM 1883 CA TYR A 121 1.128 1.652 -10.192 1.00 21.42 C ATOM 1884 C TYR A 121 0.708 0.315 -10.842 1.00 34.52 C ATOM 1885 O TYR A 121 1.436 -0.672 -10.777 1.00 62.41 O ATOM 1886 CB TYR A 121 0.274 1.950 -8.932 1.00 2.31 C ATOM 1887 CG TYR A 121 0.135 0.795 -7.909 1.00 73.25 C ATOM 1888 CD1 TYR A 121 1.059 0.618 -6.878 1.00 42.10 C ATOM 1889 CD2 TYR A 121 -0.948 -0.098 -7.970 1.00 23.21 C ATOM 1890 CE1 TYR A 121 0.908 -0.400 -5.956 1.00 54.31 C ATOM 1891 CE2 TYR A 121 -1.094 -1.116 -7.050 1.00 24.31 C ATOM 1892 CZ TYR A 121 -0.167 -1.264 -6.047 1.00 72.31 C ATOM 1893 OH TYR A 121 -0.320 -2.274 -5.119 1.00 74.44 O ATOM 0 H TYR A 121 0.191 3.388 -10.921 1.00 14.13 H new ATOM 0 HA TYR A 121 2.176 1.555 -9.908 1.00 21.42 H new ATOM 0 HB2 TYR A 121 0.707 2.810 -8.421 1.00 2.31 H new ATOM 0 HB3 TYR A 121 -0.725 2.242 -9.257 1.00 2.31 H new ATOM 0 HD1 TYR A 121 1.904 1.286 -6.800 1.00 42.10 H new ATOM 0 HD2 TYR A 121 -1.682 0.015 -8.754 1.00 23.21 H new ATOM 0 HE1 TYR A 121 1.631 -0.521 -5.163 1.00 54.31 H new ATOM 0 HE2 TYR A 121 -1.933 -1.793 -7.118 1.00 24.31 H new ATOM 0 HH TYR A 121 -1.127 -2.789 -5.327 1.00 74.44 H new ATOM 1903 N THR A 122 -0.482 0.316 -11.462 1.00 2.33 N ATOM 1904 CA THR A 122 -1.099 -0.890 -12.066 1.00 63.02 C ATOM 1905 C THR A 122 -0.252 -1.454 -13.226 1.00 63.32 C ATOM 1906 O THR A 122 0.006 -2.657 -13.293 1.00 12.15 O ATOM 1907 CB THR A 122 -2.539 -0.567 -12.585 1.00 22.22 C ATOM 1908 OG1 THR A 122 -3.347 -0.088 -11.498 1.00 54.41 O ATOM 1909 CG2 THR A 122 -3.233 -1.781 -13.238 1.00 4.11 C ATOM 0 H THR A 122 -1.052 1.156 -11.563 1.00 2.33 H new ATOM 0 HA THR A 122 -1.150 -1.647 -11.283 1.00 63.02 H new ATOM 0 HB THR A 122 -2.433 0.197 -13.355 1.00 22.22 H new ATOM 0 HG1 THR A 122 -3.113 0.843 -11.302 1.00 54.41 H new ATOM 0 HG21 THR A 122 -4.228 -1.492 -13.577 1.00 4.11 H new ATOM 0 HG22 THR A 122 -2.644 -2.122 -14.089 1.00 4.11 H new ATOM 0 HG23 THR A 122 -3.318 -2.587 -12.509 1.00 4.11 H new ATOM 1917 N GLU A 123 0.155 -0.569 -14.141 1.00 32.32 N ATOM 1918 CA GLU A 123 0.932 -0.955 -15.338 1.00 73.40 C ATOM 1919 C GLU A 123 2.380 -1.400 -14.978 1.00 41.22 C ATOM 1920 O GLU A 123 2.864 -2.399 -15.515 1.00 1.23 O ATOM 1921 CB GLU A 123 0.908 0.216 -16.371 1.00 5.40 C ATOM 1922 CG GLU A 123 1.148 -0.178 -17.854 1.00 53.04 C ATOM 1923 CD GLU A 123 2.631 -0.350 -18.242 1.00 2.03 C ATOM 1924 OE1 GLU A 123 3.337 0.673 -18.366 1.00 11.24 O ATOM 1925 OE2 GLU A 123 3.101 -1.499 -18.428 1.00 3.25 O ATOM 0 H GLU A 123 -0.040 0.430 -14.080 1.00 32.32 H new ATOM 0 HA GLU A 123 0.464 -1.827 -15.794 1.00 73.40 H new ATOM 0 HB2 GLU A 123 -0.058 0.716 -16.301 1.00 5.40 H new ATOM 0 HB3 GLU A 123 1.666 0.944 -16.082 1.00 5.40 H new ATOM 0 HG2 GLU A 123 0.622 -1.111 -18.058 1.00 53.04 H new ATOM 0 HG3 GLU A 123 0.705 0.584 -18.495 1.00 53.04 H new ATOM 1932 N SER A 124 3.055 -0.681 -14.051 1.00 15.30 N ATOM 1933 CA SER A 124 4.474 -0.988 -13.696 1.00 20.35 C ATOM 1934 C SER A 124 4.607 -2.145 -12.673 1.00 11.05 C ATOM 1935 O SER A 124 5.494 -2.990 -12.806 1.00 72.14 O ATOM 1936 CB SER A 124 5.160 0.273 -13.115 1.00 14.14 C ATOM 1937 OG SER A 124 6.511 0.031 -12.732 1.00 71.01 O ATOM 0 H SER A 124 2.654 0.105 -13.539 1.00 15.30 H new ATOM 0 HA SER A 124 4.961 -1.304 -14.619 1.00 20.35 H new ATOM 0 HB2 SER A 124 5.133 1.072 -13.856 1.00 14.14 H new ATOM 0 HB3 SER A 124 4.597 0.623 -12.249 1.00 14.14 H new ATOM 0 HG SER A 124 6.902 0.855 -12.373 1.00 71.01 H new ATOM 1943 N PHE A 125 3.697 -2.211 -11.684 1.00 53.23 N ATOM 1944 CA PHE A 125 3.809 -3.170 -10.541 1.00 32.52 C ATOM 1945 C PHE A 125 2.759 -4.298 -10.580 1.00 62.15 C ATOM 1946 O PHE A 125 2.844 -5.215 -9.776 1.00 24.22 O ATOM 1947 CB PHE A 125 3.709 -2.401 -9.196 1.00 11.20 C ATOM 1948 CG PHE A 125 4.799 -1.340 -9.014 1.00 44.44 C ATOM 1949 CD1 PHE A 125 6.132 -1.717 -8.842 1.00 10.22 C ATOM 1950 CD2 PHE A 125 4.495 0.024 -9.025 1.00 0.13 C ATOM 1951 CE1 PHE A 125 7.124 -0.768 -8.688 1.00 65.21 C ATOM 1952 CE2 PHE A 125 5.490 0.973 -8.867 1.00 62.23 C ATOM 1953 CZ PHE A 125 6.804 0.576 -8.702 1.00 72.35 C ATOM 0 H PHE A 125 2.870 -1.615 -11.643 1.00 53.23 H new ATOM 0 HA PHE A 125 4.783 -3.650 -10.633 1.00 32.52 H new ATOM 0 HB2 PHE A 125 2.732 -1.921 -9.133 1.00 11.20 H new ATOM 0 HB3 PHE A 125 3.767 -3.114 -8.374 1.00 11.20 H new ATOM 0 HD1 PHE A 125 6.391 -2.765 -8.829 1.00 10.22 H new ATOM 0 HD2 PHE A 125 3.471 0.341 -9.158 1.00 0.13 H new ATOM 0 HE1 PHE A 125 8.150 -1.077 -8.557 1.00 65.21 H new ATOM 0 HE2 PHE A 125 5.240 2.024 -8.873 1.00 62.23 H new ATOM 0 HZ PHE A 125 7.581 1.317 -8.584 1.00 72.35 H new ATOM 1963 N GLY A 126 1.774 -4.203 -11.495 1.00 42.40 N ATOM 1964 CA GLY A 126 0.759 -5.264 -11.683 1.00 72.11 C ATOM 1965 C GLY A 126 -0.213 -5.480 -10.498 1.00 63.04 C ATOM 1966 O GLY A 126 0.017 -5.006 -9.382 1.00 61.42 O ATOM 0 H GLY A 126 1.658 -3.403 -12.117 1.00 42.40 H new ATOM 0 HA2 GLY A 126 0.173 -5.028 -12.571 1.00 72.11 H new ATOM 0 HA3 GLY A 126 1.275 -6.203 -11.882 1.00 72.11 H new ATOM 1970 N ASP A 127 -1.337 -6.177 -10.768 1.00 63.21 N ATOM 1971 CA ASP A 127 -2.335 -6.545 -9.733 1.00 14.11 C ATOM 1972 C ASP A 127 -2.035 -7.922 -9.075 1.00 43.42 C ATOM 1973 O ASP A 127 -2.453 -8.177 -7.942 1.00 61.23 O ATOM 1974 CB ASP A 127 -3.764 -6.502 -10.324 1.00 2.40 C ATOM 1975 CG ASP A 127 -4.001 -7.478 -11.479 1.00 74.24 C ATOM 1976 OD1 ASP A 127 -3.502 -7.218 -12.595 1.00 74.24 O ATOM 1977 OD2 ASP A 127 -4.679 -8.506 -11.270 1.00 42.54 O ATOM 0 H ASP A 127 -1.580 -6.501 -11.704 1.00 63.21 H new ATOM 0 HA ASP A 127 -2.264 -5.805 -8.936 1.00 14.11 H new ATOM 0 HB2 ASP A 127 -4.479 -6.718 -9.530 1.00 2.40 H new ATOM 0 HB3 ASP A 127 -3.970 -5.490 -10.672 1.00 2.40 H new ATOM 1982 N ASN A 128 -1.355 -8.816 -9.818 1.00 41.13 N ATOM 1983 CA ASN A 128 -0.889 -10.133 -9.301 1.00 42.21 C ATOM 1984 C ASN A 128 0.581 -10.066 -8.836 1.00 54.40 C ATOM 1985 O ASN A 128 1.063 -10.982 -8.168 1.00 12.12 O ATOM 1986 CB ASN A 128 -1.046 -11.238 -10.377 1.00 22.33 C ATOM 1987 CG ASN A 128 -2.499 -11.472 -10.771 1.00 12.03 C ATOM 1988 OD1 ASN A 128 -2.990 -10.917 -11.740 1.00 54.34 O ATOM 1989 ND2 ASN A 128 -3.211 -12.284 -10.006 1.00 15.13 N ATOM 0 H ASN A 128 -1.109 -8.653 -10.794 1.00 41.13 H new ATOM 0 HA ASN A 128 -1.513 -10.382 -8.443 1.00 42.21 H new ATOM 0 HB2 ASN A 128 -0.474 -10.961 -11.262 1.00 22.33 H new ATOM 0 HB3 ASN A 128 -0.621 -12.169 -10.001 1.00 22.33 H new ATOM 0 HD21 ASN A 128 -4.193 -12.457 -10.221 1.00 15.13 H new ATOM 0 HD22 ASN A 128 -2.778 -12.737 -9.201 1.00 15.13 H new ATOM 1996 N VAL A 129 1.280 -8.985 -9.199 1.00 50.44 N ATOM 1997 CA VAL A 129 2.681 -8.747 -8.801 1.00 43.45 C ATOM 1998 C VAL A 129 2.728 -7.747 -7.616 1.00 20.02 C ATOM 1999 O VAL A 129 1.916 -6.814 -7.545 1.00 23.02 O ATOM 2000 CB VAL A 129 3.549 -8.209 -10.006 1.00 50.41 C ATOM 2001 CG1 VAL A 129 5.033 -8.001 -9.607 1.00 32.24 C ATOM 2002 CG2 VAL A 129 3.437 -9.123 -11.246 1.00 41.44 C ATOM 0 H VAL A 129 0.891 -8.243 -9.781 1.00 50.44 H new ATOM 0 HA VAL A 129 3.108 -9.700 -8.490 1.00 43.45 H new ATOM 0 HB VAL A 129 3.140 -7.234 -10.271 1.00 50.41 H new ATOM 0 HG11 VAL A 129 5.592 -7.630 -10.466 1.00 32.24 H new ATOM 0 HG12 VAL A 129 5.093 -7.277 -8.795 1.00 32.24 H new ATOM 0 HG13 VAL A 129 5.458 -8.950 -9.279 1.00 32.24 H new ATOM 0 HG21 VAL A 129 4.048 -8.718 -12.053 1.00 41.44 H new ATOM 0 HG22 VAL A 129 3.786 -10.124 -10.993 1.00 41.44 H new ATOM 0 HG23 VAL A 129 2.397 -9.172 -11.569 1.00 41.44 H new ATOM 2012 N VAL A 130 3.653 -7.983 -6.669 1.00 54.23 N ATOM 2013 CA VAL A 130 3.871 -7.107 -5.507 1.00 42.03 C ATOM 2014 C VAL A 130 4.673 -5.850 -5.937 1.00 60.33 C ATOM 2015 O VAL A 130 5.725 -5.981 -6.592 1.00 0.34 O ATOM 2016 CB VAL A 130 4.667 -7.865 -4.359 1.00 1.53 C ATOM 2017 CG1 VAL A 130 4.869 -6.971 -3.097 1.00 23.41 C ATOM 2018 CG2 VAL A 130 3.979 -9.205 -3.987 1.00 45.23 C ATOM 0 H VAL A 130 4.274 -8.792 -6.690 1.00 54.23 H new ATOM 0 HA VAL A 130 2.895 -6.813 -5.120 1.00 42.03 H new ATOM 0 HB VAL A 130 5.657 -8.091 -4.756 1.00 1.53 H new ATOM 0 HG11 VAL A 130 5.417 -7.530 -2.339 1.00 23.41 H new ATOM 0 HG12 VAL A 130 5.434 -6.079 -3.369 1.00 23.41 H new ATOM 0 HG13 VAL A 130 3.897 -6.678 -2.699 1.00 23.41 H new ATOM 0 HG21 VAL A 130 4.547 -9.699 -3.199 1.00 45.23 H new ATOM 0 HG22 VAL A 130 2.966 -9.009 -3.635 1.00 45.23 H new ATOM 0 HG23 VAL A 130 3.939 -9.850 -4.865 1.00 45.23 H new ATOM 2028 N PRO A 131 4.189 -4.613 -5.589 1.00 41.04 N ATOM 2029 CA PRO A 131 4.999 -3.382 -5.713 1.00 1.52 C ATOM 2030 C PRO A 131 6.258 -3.462 -4.824 1.00 53.22 C ATOM 2031 O PRO A 131 6.162 -3.763 -3.633 1.00 32.32 O ATOM 2032 CB PRO A 131 4.034 -2.257 -5.245 1.00 55.21 C ATOM 2033 CG PRO A 131 3.006 -2.969 -4.416 1.00 2.05 C ATOM 2034 CD PRO A 131 2.820 -4.311 -5.084 1.00 53.21 C ATOM 0 HA PRO A 131 5.370 -3.213 -6.724 1.00 1.52 H new ATOM 0 HB2 PRO A 131 4.559 -1.500 -4.663 1.00 55.21 H new ATOM 0 HB3 PRO A 131 3.577 -1.747 -6.093 1.00 55.21 H new ATOM 0 HG2 PRO A 131 3.342 -3.085 -3.386 1.00 2.05 H new ATOM 0 HG3 PRO A 131 2.070 -2.411 -4.385 1.00 2.05 H new ATOM 0 HD2 PRO A 131 2.470 -5.068 -4.382 1.00 53.21 H new ATOM 0 HD3 PRO A 131 2.090 -4.264 -5.893 1.00 53.21 H new ATOM 2042 N TYR A 132 7.434 -3.212 -5.414 1.00 53.44 N ATOM 2043 CA TYR A 132 8.722 -3.305 -4.699 1.00 53.44 C ATOM 2044 C TYR A 132 9.409 -1.927 -4.645 1.00 14.32 C ATOM 2045 O TYR A 132 9.297 -1.125 -5.581 1.00 53.45 O ATOM 2046 CB TYR A 132 9.647 -4.364 -5.366 1.00 21.50 C ATOM 2047 CG TYR A 132 9.984 -4.082 -6.840 1.00 3.24 C ATOM 2048 CD1 TYR A 132 9.083 -4.402 -7.855 1.00 1.41 C ATOM 2049 CD2 TYR A 132 11.195 -3.482 -7.208 1.00 31.44 C ATOM 2050 CE1 TYR A 132 9.374 -4.141 -9.176 1.00 34.50 C ATOM 2051 CE2 TYR A 132 11.489 -3.219 -8.530 1.00 15.24 C ATOM 2052 CZ TYR A 132 10.578 -3.549 -9.511 1.00 24.51 C ATOM 2053 OH TYR A 132 10.875 -3.287 -10.830 1.00 72.51 O ATOM 0 H TYR A 132 7.524 -2.941 -6.393 1.00 53.44 H new ATOM 0 HA TYR A 132 8.527 -3.628 -3.676 1.00 53.44 H new ATOM 0 HB2 TYR A 132 10.576 -4.424 -4.799 1.00 21.50 H new ATOM 0 HB3 TYR A 132 9.168 -5.341 -5.297 1.00 21.50 H new ATOM 0 HD1 TYR A 132 8.140 -4.863 -7.601 1.00 1.41 H new ATOM 0 HD2 TYR A 132 11.911 -3.221 -6.443 1.00 31.44 H new ATOM 0 HE1 TYR A 132 8.664 -4.398 -9.948 1.00 34.50 H new ATOM 0 HE2 TYR A 132 12.428 -2.757 -8.795 1.00 15.24 H new ATOM 0 HH TYR A 132 11.759 -2.869 -10.889 1.00 72.51 H new ATOM 2063 N PHE A 133 10.115 -1.664 -3.535 1.00 73.14 N ATOM 2064 CA PHE A 133 10.917 -0.443 -3.369 1.00 3.42 C ATOM 2065 C PHE A 133 12.324 -0.653 -3.960 1.00 23.03 C ATOM 2066 O PHE A 133 12.944 -1.704 -3.751 1.00 61.23 O ATOM 2067 CB PHE A 133 11.012 -0.045 -1.873 1.00 2.34 C ATOM 2068 CG PHE A 133 11.814 1.241 -1.623 1.00 50.55 C ATOM 2069 CD1 PHE A 133 11.301 2.478 -1.999 1.00 22.52 C ATOM 2070 CD2 PHE A 133 13.083 1.206 -1.044 1.00 42.30 C ATOM 2071 CE1 PHE A 133 12.022 3.641 -1.802 1.00 72.44 C ATOM 2072 CE2 PHE A 133 13.805 2.370 -0.851 1.00 25.13 C ATOM 2073 CZ PHE A 133 13.274 3.586 -1.229 1.00 31.15 C ATOM 0 H PHE A 133 10.146 -2.290 -2.730 1.00 73.14 H new ATOM 0 HA PHE A 133 10.426 0.370 -3.904 1.00 3.42 H new ATOM 0 HB2 PHE A 133 10.005 0.083 -1.476 1.00 2.34 H new ATOM 0 HB3 PHE A 133 11.472 -0.863 -1.318 1.00 2.34 H new ATOM 0 HD1 PHE A 133 10.322 2.531 -2.453 1.00 22.52 H new ATOM 0 HD2 PHE A 133 13.506 0.259 -0.743 1.00 42.30 H new ATOM 0 HE1 PHE A 133 11.604 4.592 -2.097 1.00 72.44 H new ATOM 0 HE2 PHE A 133 14.787 2.327 -0.403 1.00 25.13 H new ATOM 0 HZ PHE A 133 13.839 4.494 -1.076 1.00 31.15 H new