USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 16 SER OG : rot -90:sc= 0.0542 USER MOD Set 1.2: A 44 HIS : no HE2:sc= -3.27 K(o=-3.2,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 34:sc= 0.0797 USER MOD Single : A 5 MET CE :methyl 171:sc= -1.39 (180deg=-1.9) USER MOD Single : A 6 SER OG : rot -8:sc= 1.08 USER MOD Single : A 8 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 14 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.047) USER MOD Single : A 22 ASN : amide:sc= 0.354 K(o=0.35,f=-4.4!) USER MOD Single : A 26 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.81) USER MOD Single : A 27 HIS : no HE2:sc= -0.0954 K(o=-0.095,f=-1.7!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 52 CYS SG : rot -52:sc= -0.385 USER MOD Single : A 55 TYR OH : rot -7:sc= 1.16 USER MOD Single : A 59 HIS : no HD1:sc= -0.342 X(o=-0.34,f=-0.34) USER MOD Single : A 66 LYS NZ :NH3+ 143:sc= -0.506 (180deg=-2.56!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 87:sc= 0.748 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.466 -14.694 -22.347 1.00 64.54 N ATOM 2 CA GLY A 1 -17.260 -15.543 -22.458 1.00 63.31 C ATOM 3 C GLY A 1 -16.006 -14.710 -22.597 1.00 45.41 C ATOM 4 O GLY A 1 -15.687 -14.260 -23.700 1.00 52.30 O ATOM 0 H1 GLY A 1 -19.308 -15.297 -22.253 1.00 64.54 H new ATOM 0 H2 GLY A 1 -18.384 -14.082 -21.510 1.00 64.54 H new ATOM 0 H3 GLY A 1 -18.556 -14.105 -23.199 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -17.179 -16.179 -21.577 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -17.357 -16.203 -23.320 1.00 63.31 H new ATOM 10 N PRO A 2 -15.278 -14.470 -21.489 1.00 71.21 N ATOM 11 CA PRO A 2 -14.061 -13.648 -21.506 1.00 1.44 C ATOM 12 C PRO A 2 -12.967 -14.258 -22.381 1.00 72.44 C ATOM 13 O PRO A 2 -12.225 -13.540 -23.049 1.00 54.42 O ATOM 14 CB PRO A 2 -13.626 -13.607 -20.030 1.00 51.43 C ATOM 15 CG PRO A 2 -14.277 -14.793 -19.402 1.00 23.45 C ATOM 16 CD PRO A 2 -15.577 -14.981 -20.136 1.00 11.23 C ATOM 0 HA PRO A 2 -14.241 -12.659 -21.928 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -12.541 -13.657 -19.937 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -13.945 -12.682 -19.550 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -13.646 -15.678 -19.490 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -14.448 -14.628 -18.338 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -15.879 -16.028 -20.159 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -16.389 -14.426 -19.666 1.00 11.23 H new ATOM 24 N GLY A 3 -12.895 -15.590 -22.390 1.00 40.44 N ATOM 25 CA GLY A 3 -11.841 -16.279 -23.116 1.00 52.53 C ATOM 26 C GLY A 3 -10.483 -16.008 -22.505 1.00 44.43 C ATOM 27 O GLY A 3 -9.725 -15.183 -23.003 1.00 41.21 O ATOM 0 H GLY A 3 -13.550 -16.204 -21.906 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -12.036 -17.351 -23.113 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -11.844 -15.957 -24.157 1.00 52.53 H new ATOM 31 N SER A 4 -10.174 -16.692 -21.418 1.00 41.10 N ATOM 32 CA SER A 4 -8.967 -16.410 -20.658 1.00 64.44 C ATOM 33 C SER A 4 -7.902 -17.494 -20.840 1.00 54.20 C ATOM 34 O SER A 4 -8.172 -18.682 -20.645 1.00 10.33 O ATOM 35 CB SER A 4 -9.335 -16.270 -19.175 1.00 64.41 C ATOM 36 OG SER A 4 -10.091 -17.390 -18.729 1.00 10.53 O ATOM 0 H SER A 4 -10.743 -17.449 -21.040 1.00 41.10 H new ATOM 0 HA SER A 4 -8.538 -15.480 -21.031 1.00 64.44 H new ATOM 0 HB2 SER A 4 -8.427 -16.179 -18.578 1.00 64.41 H new ATOM 0 HB3 SER A 4 -9.909 -15.356 -19.024 1.00 64.41 H new ATOM 0 HG SER A 4 -9.785 -18.197 -19.194 1.00 10.53 H new ATOM 42 N MET A 5 -6.695 -17.080 -21.240 1.00 31.34 N ATOM 43 CA MET A 5 -5.519 -17.944 -21.139 1.00 4.33 C ATOM 44 C MET A 5 -5.197 -18.117 -19.657 1.00 34.52 C ATOM 45 O MET A 5 -5.235 -19.219 -19.109 1.00 40.22 O ATOM 46 CB MET A 5 -4.314 -17.333 -21.876 1.00 72.43 C ATOM 47 CG MET A 5 -2.969 -17.951 -21.486 1.00 13.45 C ATOM 48 SD MET A 5 -2.969 -19.759 -21.534 1.00 24.43 S ATOM 49 CE MET A 5 -3.212 -20.081 -23.279 1.00 72.00 C ATOM 0 H MET A 5 -6.509 -16.158 -21.634 1.00 31.34 H new ATOM 0 HA MET A 5 -5.728 -18.907 -21.605 1.00 4.33 H new ATOM 0 HB2 MET A 5 -4.459 -17.451 -22.950 1.00 72.43 H new ATOM 0 HB3 MET A 5 -4.283 -16.262 -21.675 1.00 72.43 H new ATOM 0 HG2 MET A 5 -2.197 -17.577 -22.158 1.00 13.45 H new ATOM 0 HG3 MET A 5 -2.704 -17.621 -20.481 1.00 13.45 H new ATOM 0 HE1 MET A 5 -3.073 -21.144 -23.476 1.00 72.00 H new ATOM 0 HE2 MET A 5 -4.222 -19.788 -23.566 1.00 72.00 H new ATOM 0 HE3 MET A 5 -2.489 -19.507 -23.859 1.00 72.00 H new ATOM 59 N SER A 6 -4.911 -16.982 -19.031 1.00 74.20 N ATOM 60 CA SER A 6 -4.689 -16.875 -17.598 1.00 0.11 C ATOM 61 C SER A 6 -4.773 -15.400 -17.215 1.00 25.10 C ATOM 62 O SER A 6 -4.302 -14.539 -17.963 1.00 15.20 O ATOM 63 CB SER A 6 -3.315 -17.444 -17.200 1.00 43.50 C ATOM 64 OG SER A 6 -3.224 -18.836 -17.474 1.00 53.04 O ATOM 0 H SER A 6 -4.825 -16.090 -19.519 1.00 74.20 H new ATOM 0 HA SER A 6 -5.447 -17.454 -17.071 1.00 0.11 H new ATOM 0 HB2 SER A 6 -2.531 -16.914 -17.741 1.00 43.50 H new ATOM 0 HB3 SER A 6 -3.143 -17.270 -16.138 1.00 43.50 H new ATOM 0 HG SER A 6 -4.103 -19.174 -17.746 1.00 53.04 H new ATOM 70 N ILE A 7 -5.396 -15.101 -16.083 1.00 31.23 N ATOM 71 CA ILE A 7 -5.469 -13.729 -15.600 1.00 15.14 C ATOM 72 C ILE A 7 -4.151 -13.358 -14.920 1.00 55.21 C ATOM 73 O ILE A 7 -4.051 -13.319 -13.687 1.00 65.33 O ATOM 74 CB ILE A 7 -6.658 -13.510 -14.626 1.00 4.15 C ATOM 75 CG1 ILE A 7 -7.977 -13.976 -15.276 1.00 23.20 C ATOM 76 CG2 ILE A 7 -6.749 -12.036 -14.206 1.00 34.01 C ATOM 77 CD1 ILE A 7 -9.191 -13.836 -14.379 1.00 34.15 C ATOM 0 H ILE A 7 -5.856 -15.787 -15.484 1.00 31.23 H new ATOM 0 HA ILE A 7 -5.639 -13.081 -16.460 1.00 15.14 H new ATOM 0 HB ILE A 7 -6.486 -14.107 -13.730 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -8.143 -13.402 -16.187 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -7.875 -15.020 -15.572 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -7.588 -11.903 -13.524 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -5.826 -11.742 -13.707 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -6.898 -11.415 -15.089 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -10.077 -14.185 -14.909 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -9.049 -14.433 -13.478 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -9.321 -12.789 -14.104 1.00 34.15 H new ATOM 89 N ASN A 8 -3.131 -13.152 -15.746 1.00 54.12 N ATOM 90 CA ASN A 8 -1.806 -12.741 -15.288 1.00 25.44 C ATOM 91 C ASN A 8 -1.611 -11.242 -15.529 1.00 50.11 C ATOM 92 O ASN A 8 -1.290 -10.817 -16.643 1.00 64.43 O ATOM 93 CB ASN A 8 -0.703 -13.557 -15.996 1.00 20.10 C ATOM 94 CG ASN A 8 -0.966 -13.776 -17.484 1.00 43.15 C ATOM 95 OD1 ASN A 8 -1.465 -14.827 -17.888 1.00 32.04 O ATOM 96 ND2 ASN A 8 -0.670 -12.785 -18.308 1.00 53.11 N ATOM 0 H ASN A 8 -3.199 -13.266 -16.757 1.00 54.12 H new ATOM 0 HA ASN A 8 -1.731 -12.936 -14.218 1.00 25.44 H new ATOM 0 HB2 ASN A 8 0.251 -13.044 -15.876 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -0.608 -14.526 -15.506 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -0.854 -12.880 -19.307 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -0.257 -11.926 -17.945 1.00 53.11 H new ATOM 103 N PRO A 9 -1.816 -10.415 -14.488 1.00 24.42 N ATOM 104 CA PRO A 9 -1.788 -8.958 -14.618 1.00 34.30 C ATOM 105 C PRO A 9 -0.384 -8.405 -14.874 1.00 64.14 C ATOM 106 O PRO A 9 0.430 -8.292 -13.954 1.00 71.44 O ATOM 107 CB PRO A 9 -2.340 -8.450 -13.266 1.00 41.24 C ATOM 108 CG PRO A 9 -2.879 -9.663 -12.573 1.00 53.41 C ATOM 109 CD PRO A 9 -2.088 -10.825 -13.104 1.00 62.43 C ATOM 0 HA PRO A 9 -2.372 -8.628 -15.477 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -1.556 -7.976 -12.675 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -3.121 -7.704 -13.416 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -2.769 -9.577 -11.492 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -3.943 -9.789 -12.776 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -1.169 -10.983 -12.539 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -2.654 -11.756 -13.060 1.00 62.43 H new ATOM 117 N PHE A 10 -0.100 -8.106 -16.138 1.00 40.41 N ATOM 118 CA PHE A 10 1.086 -7.339 -16.511 1.00 31.52 C ATOM 119 C PHE A 10 0.759 -6.460 -17.712 1.00 72.32 C ATOM 120 O PHE A 10 -0.226 -6.698 -18.412 1.00 51.11 O ATOM 121 CB PHE A 10 2.308 -8.242 -16.787 1.00 3.43 C ATOM 122 CG PHE A 10 2.141 -9.269 -17.887 1.00 33.53 C ATOM 123 CD1 PHE A 10 2.070 -8.887 -19.222 1.00 15.31 C ATOM 124 CD2 PHE A 10 2.088 -10.623 -17.584 1.00 51.51 C ATOM 125 CE1 PHE A 10 1.945 -9.831 -20.224 1.00 50.24 C ATOM 126 CE2 PHE A 10 1.960 -11.568 -18.584 1.00 54.40 C ATOM 127 CZ PHE A 10 1.889 -11.172 -19.904 1.00 35.42 C ATOM 0 H PHE A 10 -0.681 -8.386 -16.929 1.00 40.41 H new ATOM 0 HA PHE A 10 1.365 -6.707 -15.668 1.00 31.52 H new ATOM 0 HB2 PHE A 10 3.156 -7.605 -17.038 1.00 3.43 H new ATOM 0 HB3 PHE A 10 2.564 -8.765 -15.865 1.00 3.43 H new ATOM 0 HD1 PHE A 10 2.113 -7.839 -19.479 1.00 15.31 H new ATOM 0 HD2 PHE A 10 2.148 -10.942 -16.554 1.00 51.51 H new ATOM 0 HE1 PHE A 10 1.891 -9.519 -21.257 1.00 50.24 H new ATOM 0 HE2 PHE A 10 1.915 -12.617 -18.332 1.00 54.40 H new ATOM 0 HZ PHE A 10 1.790 -11.911 -20.686 1.00 35.42 H new ATOM 137 N ASP A 11 1.571 -5.437 -17.939 1.00 1.54 N ATOM 138 CA ASP A 11 1.282 -4.445 -18.970 1.00 3.31 C ATOM 139 C ASP A 11 1.808 -4.882 -20.330 1.00 75.40 C ATOM 140 O ASP A 11 3.012 -5.079 -20.510 1.00 13.31 O ATOM 141 CB ASP A 11 1.879 -3.085 -18.594 1.00 60.33 C ATOM 142 CG ASP A 11 1.282 -2.531 -17.317 1.00 70.42 C ATOM 143 OD1 ASP A 11 1.812 -2.834 -16.227 1.00 15.20 O ATOM 144 OD2 ASP A 11 0.258 -1.824 -17.389 1.00 63.02 O ATOM 0 H ASP A 11 2.436 -5.271 -17.424 1.00 1.54 H new ATOM 0 HA ASP A 11 0.198 -4.353 -19.038 1.00 3.31 H new ATOM 0 HB2 ASP A 11 2.958 -3.184 -18.475 1.00 60.33 H new ATOM 0 HB3 ASP A 11 1.711 -2.379 -19.407 1.00 60.33 H new ATOM 149 N ASP A 12 0.895 -5.046 -21.282 1.00 41.24 N ATOM 150 CA ASP A 12 1.263 -5.297 -22.671 1.00 42.44 C ATOM 151 C ASP A 12 1.526 -3.960 -23.364 1.00 73.54 C ATOM 152 O ASP A 12 1.559 -2.916 -22.712 1.00 63.12 O ATOM 153 CB ASP A 12 0.147 -6.065 -23.395 1.00 5.22 C ATOM 154 CG ASP A 12 -1.057 -5.190 -23.694 1.00 31.25 C ATOM 155 OD1 ASP A 12 -1.758 -4.790 -22.743 1.00 43.52 O ATOM 156 OD2 ASP A 12 -1.292 -4.879 -24.886 1.00 14.35 O ATOM 0 H ASP A 12 -0.111 -5.009 -21.115 1.00 41.24 H new ATOM 0 HA ASP A 12 2.165 -5.908 -22.702 1.00 42.44 H new ATOM 0 HB2 ASP A 12 0.537 -6.473 -24.327 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -0.165 -6.911 -22.782 1.00 5.22 H new ATOM 161 N ASP A 13 1.717 -3.993 -24.674 1.00 11.11 N ATOM 162 CA ASP A 13 2.042 -2.785 -25.429 1.00 23.12 C ATOM 163 C ASP A 13 0.805 -1.930 -25.704 1.00 30.54 C ATOM 164 O ASP A 13 0.782 -0.735 -25.408 1.00 12.41 O ATOM 165 CB ASP A 13 2.724 -3.151 -26.754 1.00 74.53 C ATOM 166 CG ASP A 13 3.962 -4.012 -26.551 1.00 12.31 C ATOM 167 OD1 ASP A 13 5.012 -3.476 -26.135 1.00 60.13 O ATOM 168 OD2 ASP A 13 3.885 -5.235 -26.786 1.00 73.14 O ATOM 0 H ASP A 13 1.653 -4.840 -25.239 1.00 11.11 H new ATOM 0 HA ASP A 13 2.725 -2.196 -24.816 1.00 23.12 H new ATOM 0 HB2 ASP A 13 2.016 -3.682 -27.389 1.00 74.53 H new ATOM 0 HB3 ASP A 13 3.002 -2.238 -27.281 1.00 74.53 H new ATOM 173 N ASN A 14 -0.231 -2.554 -26.259 1.00 10.01 N ATOM 174 CA ASN A 14 -1.368 -1.820 -26.826 1.00 44.32 C ATOM 175 C ASN A 14 -2.538 -1.716 -25.850 1.00 62.12 C ATOM 176 O ASN A 14 -3.547 -1.079 -26.157 1.00 31.00 O ATOM 177 CB ASN A 14 -1.827 -2.493 -28.129 1.00 31.51 C ATOM 178 CG ASN A 14 -0.727 -2.575 -29.180 1.00 23.43 C ATOM 179 OD1 ASN A 14 -0.694 -3.506 -29.987 1.00 1.41 O ATOM 180 ND2 ASN A 14 0.183 -1.609 -29.187 1.00 73.33 N ATOM 0 H ASN A 14 -0.310 -3.568 -26.330 1.00 10.01 H new ATOM 0 HA ASN A 14 -1.030 -0.805 -27.033 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -2.183 -3.499 -27.905 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -2.672 -1.939 -28.539 1.00 31.51 H new ATOM 0 HD21 ASN A 14 0.937 -1.624 -29.874 1.00 73.33 H new ATOM 0 HD22 ASN A 14 0.128 -0.852 -28.506 1.00 73.33 H new ATOM 187 N GLY A 15 -2.403 -2.342 -24.685 1.00 55.21 N ATOM 188 CA GLY A 15 -3.469 -2.337 -23.690 1.00 55.10 C ATOM 189 C GLY A 15 -3.858 -0.946 -23.228 1.00 5.11 C ATOM 190 O GLY A 15 -4.976 -0.740 -22.755 1.00 2.02 O ATOM 0 H GLY A 15 -1.568 -2.858 -24.407 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -4.346 -2.832 -24.107 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -3.153 -2.923 -22.827 1.00 55.10 H new ATOM 194 N SER A 16 -2.932 -0.001 -23.353 1.00 4.14 N ATOM 195 CA SER A 16 -3.173 1.392 -22.990 1.00 63.44 C ATOM 196 C SER A 16 -1.930 2.231 -23.276 1.00 71.32 C ATOM 197 O SER A 16 -0.868 1.690 -23.569 1.00 2.12 O ATOM 198 CB SER A 16 -3.579 1.510 -21.508 1.00 1.03 C ATOM 199 OG SER A 16 -2.760 0.695 -20.681 1.00 70.32 O ATOM 0 H SER A 16 -1.993 -0.179 -23.709 1.00 4.14 H new ATOM 0 HA SER A 16 -3.997 1.770 -23.595 1.00 63.44 H new ATOM 0 HB2 SER A 16 -3.501 2.549 -21.189 1.00 1.03 H new ATOM 0 HB3 SER A 16 -4.623 1.218 -21.390 1.00 1.03 H new ATOM 0 HG SER A 16 -3.164 -0.194 -20.595 1.00 70.32 H new ATOM 205 N PHE A 17 -2.093 3.551 -23.225 1.00 33.31 N ATOM 206 CA PHE A 17 -0.980 4.505 -23.336 1.00 3.42 C ATOM 207 C PHE A 17 -0.055 4.373 -22.115 1.00 71.15 C ATOM 208 O PHE A 17 -0.114 3.374 -21.402 1.00 4.05 O ATOM 209 CB PHE A 17 -1.608 5.915 -23.414 1.00 25.25 C ATOM 210 CG PHE A 17 -0.670 7.057 -23.727 1.00 23.11 C ATOM 211 CD1 PHE A 17 0.078 7.068 -24.893 1.00 74.21 C ATOM 212 CD2 PHE A 17 -0.554 8.134 -22.852 1.00 3.25 C ATOM 213 CE1 PHE A 17 0.921 8.125 -25.181 1.00 70.22 C ATOM 214 CE2 PHE A 17 0.285 9.192 -23.138 1.00 25.21 C ATOM 215 CZ PHE A 17 1.023 9.189 -24.303 1.00 45.40 C ATOM 0 H PHE A 17 -3.003 3.996 -23.105 1.00 33.31 H new ATOM 0 HA PHE A 17 -0.373 4.313 -24.221 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -2.390 5.898 -24.174 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.094 6.125 -22.461 1.00 25.25 H new ATOM 0 HD1 PHE A 17 0.002 6.242 -25.584 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -1.128 8.142 -21.937 1.00 3.25 H new ATOM 0 HE1 PHE A 17 1.501 8.120 -26.092 1.00 70.22 H new ATOM 0 HE2 PHE A 17 0.363 10.021 -22.450 1.00 25.21 H new ATOM 0 HZ PHE A 17 1.680 10.016 -24.529 1.00 45.40 H new ATOM 225 N PHE A 18 0.783 5.367 -21.843 1.00 10.51 N ATOM 226 CA PHE A 18 1.780 5.235 -20.792 1.00 50.04 C ATOM 227 C PHE A 18 1.639 6.361 -19.796 1.00 10.14 C ATOM 228 O PHE A 18 1.481 7.526 -20.167 1.00 64.22 O ATOM 229 CB PHE A 18 3.208 5.201 -21.361 1.00 0.03 C ATOM 230 CG PHE A 18 3.610 6.375 -22.220 1.00 53.34 C ATOM 231 CD1 PHE A 18 4.022 7.571 -21.649 1.00 52.42 C ATOM 232 CD2 PHE A 18 3.602 6.267 -23.604 1.00 61.11 C ATOM 233 CE1 PHE A 18 4.411 8.633 -22.440 1.00 42.02 C ATOM 234 CE2 PHE A 18 3.995 7.326 -24.398 1.00 74.44 C ATOM 235 CZ PHE A 18 4.398 8.510 -23.815 1.00 11.54 C ATOM 0 H PHE A 18 0.791 6.263 -22.331 1.00 10.51 H new ATOM 0 HA PHE A 18 1.605 4.285 -20.287 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.907 5.130 -20.528 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.321 4.291 -21.950 1.00 0.03 H new ATOM 0 HD1 PHE A 18 4.038 7.672 -20.574 1.00 52.42 H new ATOM 0 HD2 PHE A 18 3.285 5.343 -24.065 1.00 61.11 H new ATOM 0 HE1 PHE A 18 4.725 9.560 -21.983 1.00 42.02 H new ATOM 0 HE2 PHE A 18 3.987 7.228 -25.474 1.00 74.44 H new ATOM 0 HZ PHE A 18 4.703 9.340 -24.434 1.00 11.54 H new ATOM 245 N VAL A 19 1.682 5.996 -18.525 1.00 64.01 N ATOM 246 CA VAL A 19 1.370 6.929 -17.450 1.00 61.04 C ATOM 247 C VAL A 19 2.114 6.564 -16.167 1.00 43.40 C ATOM 248 O VAL A 19 2.091 5.409 -15.706 1.00 52.44 O ATOM 249 CB VAL A 19 -0.170 7.011 -17.193 1.00 53.32 C ATOM 250 CG1 VAL A 19 -0.805 8.127 -18.029 1.00 65.33 C ATOM 251 CG2 VAL A 19 -0.851 5.676 -17.511 1.00 2.33 C ATOM 0 H VAL A 19 1.930 5.058 -18.210 1.00 64.01 H new ATOM 0 HA VAL A 19 1.708 7.915 -17.768 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.315 7.236 -16.136 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -1.877 8.164 -17.833 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.354 9.083 -17.762 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.637 7.929 -19.088 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -1.922 5.760 -17.324 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -0.684 5.423 -18.558 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -0.432 4.894 -16.878 1.00 2.33 H new ATOM 261 N LEU A 20 2.788 7.569 -15.612 1.00 71.33 N ATOM 262 CA LEU A 20 3.611 7.415 -14.424 1.00 52.24 C ATOM 263 C LEU A 20 2.938 8.092 -13.233 1.00 2.41 C ATOM 264 O LEU A 20 2.391 9.198 -13.360 1.00 61.32 O ATOM 265 CB LEU A 20 4.995 8.037 -14.676 1.00 34.34 C ATOM 266 CG LEU A 20 6.035 7.837 -13.565 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.325 6.356 -13.356 1.00 45.00 C ATOM 268 CD2 LEU A 20 7.319 8.596 -13.892 1.00 31.20 C ATOM 0 H LEU A 20 2.775 8.520 -15.981 1.00 71.33 H new ATOM 0 HA LEU A 20 3.730 6.355 -14.201 1.00 52.24 H new ATOM 0 HB2 LEU A 20 5.395 7.621 -15.600 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.866 9.107 -14.838 1.00 34.34 H new ATOM 0 HG LEU A 20 5.625 8.236 -12.637 1.00 23.03 H new ATOM 0 HD11 LEU A 20 7.065 6.238 -12.564 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.406 5.842 -13.074 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.712 5.927 -14.280 1.00 45.00 H new ATOM 0 HD21 LEU A 20 8.045 8.443 -13.094 1.00 31.20 H new ATOM 0 HD22 LEU A 20 7.730 8.228 -14.832 1.00 31.20 H new ATOM 0 HD23 LEU A 20 7.099 9.660 -13.984 1.00 31.20 H new ATOM 280 N VAL A 21 2.969 7.425 -12.085 1.00 52.14 N ATOM 281 CA VAL A 21 2.378 7.955 -10.864 1.00 71.23 C ATOM 282 C VAL A 21 3.421 7.984 -9.748 1.00 12.22 C ATOM 283 O VAL A 21 4.063 6.978 -9.460 1.00 72.33 O ATOM 284 CB VAL A 21 1.161 7.107 -10.408 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.539 7.684 -9.136 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.121 7.010 -11.522 1.00 14.24 C ATOM 0 H VAL A 21 3.402 6.508 -11.975 1.00 52.14 H new ATOM 0 HA VAL A 21 2.033 8.967 -11.075 1.00 71.23 H new ATOM 0 HB VAL A 21 1.516 6.101 -10.184 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -0.312 7.072 -8.837 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.281 7.688 -8.338 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.204 8.704 -9.325 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.723 6.411 -11.180 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.226 8.010 -11.784 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.569 6.540 -12.398 1.00 14.24 H new ATOM 296 N ASN A 22 3.597 9.145 -9.137 1.00 5.53 N ATOM 297 CA ASN A 22 4.513 9.296 -8.012 1.00 74.14 C ATOM 298 C ASN A 22 3.791 8.970 -6.707 1.00 13.30 C ATOM 299 O ASN A 22 2.560 9.022 -6.643 1.00 42.42 O ATOM 300 CB ASN A 22 5.078 10.722 -7.975 1.00 33.32 C ATOM 301 CG ASN A 22 5.980 10.973 -6.777 1.00 72.42 C ATOM 302 OD1 ASN A 22 5.524 11.427 -5.729 1.00 41.10 O ATOM 303 ND2 ASN A 22 7.260 10.665 -6.920 1.00 14.32 N ATOM 0 H ASN A 22 3.115 10.004 -9.402 1.00 5.53 H new ATOM 0 HA ASN A 22 5.344 8.601 -8.134 1.00 74.14 H new ATOM 0 HB2 ASN A 22 5.639 10.908 -8.891 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.253 11.434 -7.957 1.00 33.32 H new ATOM 0 HD21 ASN A 22 7.907 10.802 -6.144 1.00 14.32 H new ATOM 0 HD22 ASN A 22 7.599 10.291 -7.806 1.00 14.32 H new ATOM 310 N ASP A 23 4.564 8.639 -5.674 1.00 70.14 N ATOM 311 CA ASP A 23 4.019 8.277 -4.363 1.00 12.10 C ATOM 312 C ASP A 23 3.002 9.308 -3.859 1.00 71.41 C ATOM 313 O ASP A 23 2.028 8.956 -3.192 1.00 71.12 O ATOM 314 CB ASP A 23 5.160 8.130 -3.349 1.00 34.54 C ATOM 315 CG ASP A 23 4.671 7.749 -1.960 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.070 6.660 -1.814 1.00 24.14 O ATOM 317 OD2 ASP A 23 4.892 8.529 -1.004 1.00 1.54 O ATOM 0 H ASP A 23 5.583 8.614 -5.720 1.00 70.14 H new ATOM 0 HA ASP A 23 3.497 7.327 -4.473 1.00 12.10 H new ATOM 0 HB2 ASP A 23 5.859 7.372 -3.703 1.00 34.54 H new ATOM 0 HB3 ASP A 23 5.710 9.069 -3.290 1.00 34.54 H new ATOM 322 N GLU A 24 3.222 10.577 -4.201 1.00 62.34 N ATOM 323 CA GLU A 24 2.348 11.672 -3.761 1.00 11.53 C ATOM 324 C GLU A 24 1.158 11.855 -4.724 1.00 61.53 C ATOM 325 O GLU A 24 0.656 12.967 -4.917 1.00 72.22 O ATOM 326 CB GLU A 24 3.165 12.973 -3.640 1.00 73.32 C ATOM 327 CG GLU A 24 2.425 14.110 -2.938 1.00 13.22 C ATOM 328 CD GLU A 24 3.291 15.339 -2.723 1.00 2.14 C ATOM 329 OE1 GLU A 24 4.027 15.385 -1.714 1.00 51.24 O ATOM 330 OE2 GLU A 24 3.236 16.270 -3.556 1.00 11.22 O ATOM 0 H GLU A 24 4.003 10.877 -4.785 1.00 62.34 H new ATOM 0 HA GLU A 24 1.939 11.421 -2.782 1.00 11.53 H new ATOM 0 HB2 GLU A 24 4.086 12.762 -3.096 1.00 73.32 H new ATOM 0 HB3 GLU A 24 3.453 13.303 -4.638 1.00 73.32 H new ATOM 0 HG2 GLU A 24 1.552 14.387 -3.529 1.00 13.22 H new ATOM 0 HG3 GLU A 24 2.059 13.757 -1.974 1.00 13.22 H new ATOM 337 N GLU A 25 0.728 10.754 -5.344 1.00 62.13 N ATOM 338 CA GLU A 25 -0.463 10.733 -6.209 1.00 0.22 C ATOM 339 C GLU A 25 -0.261 11.551 -7.491 1.00 61.13 C ATOM 340 O GLU A 25 -1.200 11.732 -8.273 1.00 70.13 O ATOM 341 CB GLU A 25 -1.712 11.236 -5.461 1.00 4.34 C ATOM 342 CG GLU A 25 -2.088 10.414 -4.228 1.00 45.50 C ATOM 343 CD GLU A 25 -3.389 10.885 -3.591 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.380 11.922 -2.892 1.00 32.12 O ATOM 345 OE2 GLU A 25 -4.433 10.228 -3.793 1.00 62.44 O ATOM 0 H GLU A 25 1.193 9.850 -5.263 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.618 9.692 -6.492 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -1.546 12.269 -5.156 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.556 11.239 -6.151 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -2.183 9.365 -4.509 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.284 10.476 -3.494 1.00 45.50 H new ATOM 352 N GLN A 26 0.957 12.037 -7.714 1.00 10.22 N ATOM 353 CA GLN A 26 1.270 12.778 -8.935 1.00 54.01 C ATOM 354 C GLN A 26 1.099 11.865 -10.144 1.00 30.13 C ATOM 355 O GLN A 26 1.790 10.862 -10.263 1.00 21.03 O ATOM 356 CB GLN A 26 2.702 13.330 -8.889 1.00 31.13 C ATOM 357 CG GLN A 26 2.904 14.457 -7.882 1.00 12.34 C ATOM 358 CD GLN A 26 2.102 15.705 -8.227 1.00 24.51 C ATOM 359 OE1 GLN A 26 1.830 15.982 -9.396 1.00 3.34 O ATOM 360 NE2 GLN A 26 1.732 16.473 -7.217 1.00 4.44 N ATOM 0 H GLN A 26 1.741 11.933 -7.070 1.00 10.22 H new ATOM 0 HA GLN A 26 0.584 13.621 -9.016 1.00 54.01 H new ATOM 0 HB2 GLN A 26 3.386 12.516 -8.649 1.00 31.13 H new ATOM 0 HB3 GLN A 26 2.972 13.691 -9.881 1.00 31.13 H new ATOM 0 HG2 GLN A 26 2.617 14.108 -6.890 1.00 12.34 H new ATOM 0 HG3 GLN A 26 3.963 14.712 -7.836 1.00 12.34 H new ATOM 0 HE21 GLN A 26 1.975 16.211 -6.262 1.00 4.44 H new ATOM 0 HE22 GLN A 26 1.203 17.327 -7.393 1.00 4.44 H new ATOM 369 N HIS A 27 0.179 12.216 -11.027 1.00 62.23 N ATOM 370 CA HIS A 27 -0.151 11.377 -12.177 1.00 32.31 C ATOM 371 C HIS A 27 0.072 12.146 -13.475 1.00 32.43 C ATOM 372 O HIS A 27 -0.642 13.104 -13.772 1.00 70.43 O ATOM 373 CB HIS A 27 -1.606 10.888 -12.073 1.00 4.31 C ATOM 374 CG HIS A 27 -2.602 11.987 -11.839 1.00 71.13 C ATOM 375 ND1 HIS A 27 -2.962 12.423 -10.583 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.310 12.745 -12.712 1.00 74.11 C ATOM 377 CE1 HIS A 27 -3.842 13.400 -10.693 1.00 60.13 C ATOM 378 NE2 HIS A 27 -4.069 13.617 -11.976 1.00 72.25 N ATOM 0 H HIS A 27 -0.358 13.081 -10.972 1.00 62.23 H new ATOM 0 HA HIS A 27 0.505 10.507 -12.181 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -1.869 10.362 -12.991 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -1.679 10.166 -11.260 1.00 4.31 H new ATOM 0 HD1 HIS A 27 -2.604 12.049 -9.704 1.00 63.43 H new ATOM 0 HD2 HIS A 27 -3.281 12.675 -13.789 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -4.300 13.932 -9.872 1.00 60.13 H new ATOM 387 N SER A 28 1.075 11.736 -14.235 1.00 43.31 N ATOM 388 CA SER A 28 1.418 12.408 -15.485 1.00 70.43 C ATOM 389 C SER A 28 2.096 11.429 -16.440 1.00 3.04 C ATOM 390 O SER A 28 2.646 10.412 -16.011 1.00 45.11 O ATOM 391 CB SER A 28 2.351 13.600 -15.210 1.00 24.32 C ATOM 392 OG SER A 28 1.761 14.537 -14.318 1.00 33.21 O ATOM 0 H SER A 28 1.670 10.938 -14.010 1.00 43.31 H new ATOM 0 HA SER A 28 0.501 12.776 -15.945 1.00 70.43 H new ATOM 0 HB2 SER A 28 3.289 13.238 -14.789 1.00 24.32 H new ATOM 0 HB3 SER A 28 2.594 14.096 -16.150 1.00 24.32 H new ATOM 0 HG SER A 28 2.382 15.279 -14.165 1.00 33.21 H new ATOM 398 N LEU A 29 2.023 11.720 -17.737 1.00 3.41 N ATOM 399 CA LEU A 29 2.774 10.956 -18.728 1.00 62.52 C ATOM 400 C LEU A 29 4.273 11.173 -18.513 1.00 23.32 C ATOM 401 O LEU A 29 4.687 12.201 -17.964 1.00 31.35 O ATOM 402 CB LEU A 29 2.338 11.287 -20.190 1.00 32.03 C ATOM 403 CG LEU A 29 2.439 12.754 -20.704 1.00 23.25 C ATOM 404 CD1 LEU A 29 1.629 13.726 -19.849 1.00 5.44 C ATOM 405 CD2 LEU A 29 3.892 13.217 -20.834 1.00 25.14 C ATOM 0 H LEU A 29 1.455 12.474 -18.123 1.00 3.41 H new ATOM 0 HA LEU A 29 2.550 9.899 -18.587 1.00 62.52 H new ATOM 0 HB2 LEU A 29 2.934 10.665 -20.858 1.00 32.03 H new ATOM 0 HB3 LEU A 29 1.300 10.972 -20.301 1.00 32.03 H new ATOM 0 HG LEU A 29 2.000 12.757 -21.702 1.00 23.25 H new ATOM 0 HD11 LEU A 29 1.732 14.735 -20.248 1.00 5.44 H new ATOM 0 HD12 LEU A 29 0.579 13.435 -19.864 1.00 5.44 H new ATOM 0 HD13 LEU A 29 1.997 13.702 -18.823 1.00 5.44 H new ATOM 0 HD21 LEU A 29 3.915 14.245 -21.195 1.00 25.14 H new ATOM 0 HD22 LEU A 29 4.379 13.163 -19.861 1.00 25.14 H new ATOM 0 HD23 LEU A 29 4.417 12.573 -21.539 1.00 25.14 H new ATOM 417 N TRP A 30 5.079 10.210 -18.931 1.00 23.42 N ATOM 418 CA TRP A 30 6.517 10.249 -18.685 1.00 41.14 C ATOM 419 C TRP A 30 7.290 10.089 -19.994 1.00 34.24 C ATOM 420 O TRP A 30 6.811 9.436 -20.921 1.00 3.43 O ATOM 421 CB TRP A 30 6.909 9.143 -17.688 1.00 13.11 C ATOM 422 CG TRP A 30 6.562 7.756 -18.149 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.322 7.182 -18.171 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.470 6.763 -18.640 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.402 5.902 -18.658 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.709 5.622 -18.951 1.00 25.44 C ATOM 427 CE3 TRP A 30 8.851 6.733 -18.851 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.283 4.463 -19.463 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.420 5.580 -19.357 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.637 4.460 -19.658 1.00 73.31 C ATOM 0 H TRP A 30 4.763 9.387 -19.445 1.00 23.42 H new ATOM 0 HA TRP A 30 6.773 11.217 -18.255 1.00 41.14 H new ATOM 0 HB2 TRP A 30 7.982 9.196 -17.505 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.413 9.333 -16.736 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.411 7.666 -17.851 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.616 5.264 -18.781 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.462 7.594 -18.623 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.682 3.597 -19.698 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.487 5.543 -19.523 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.112 3.574 -20.053 1.00 73.31 H new ATOM 441 N PRO A 31 8.486 10.702 -20.099 1.00 52.54 N ATOM 442 CA PRO A 31 9.339 10.554 -21.281 1.00 35.33 C ATOM 443 C PRO A 31 9.682 9.083 -21.533 1.00 43.41 C ATOM 444 O PRO A 31 10.538 8.509 -20.857 1.00 35.31 O ATOM 445 CB PRO A 31 10.599 11.374 -20.936 1.00 30.22 C ATOM 446 CG PRO A 31 10.558 11.545 -19.454 1.00 33.12 C ATOM 447 CD PRO A 31 9.101 11.578 -19.084 1.00 24.30 C ATOM 0 HA PRO A 31 8.855 10.900 -22.194 1.00 35.33 H new ATOM 0 HB2 PRO A 31 11.505 10.855 -21.248 1.00 30.22 H new ATOM 0 HB3 PRO A 31 10.593 12.338 -21.444 1.00 30.22 H new ATOM 0 HG2 PRO A 31 11.070 10.724 -18.952 1.00 33.12 H new ATOM 0 HG3 PRO A 31 11.059 12.465 -19.153 1.00 33.12 H new ATOM 0 HD2 PRO A 31 8.932 11.207 -18.073 1.00 24.30 H new ATOM 0 HD3 PRO A 31 8.696 12.589 -19.124 1.00 24.30 H new ATOM 455 N ALA A 32 9.001 8.487 -22.511 1.00 64.13 N ATOM 456 CA ALA A 32 9.143 7.064 -22.824 1.00 5.22 C ATOM 457 C ALA A 32 10.592 6.693 -23.144 1.00 54.03 C ATOM 458 O ALA A 32 10.967 5.522 -23.099 1.00 51.42 O ATOM 459 CB ALA A 32 8.234 6.703 -23.994 1.00 31.45 C ATOM 0 H ALA A 32 8.335 8.976 -23.109 1.00 64.13 H new ATOM 0 HA ALA A 32 8.849 6.494 -21.942 1.00 5.22 H new ATOM 0 HB1 ALA A 32 8.342 5.643 -24.225 1.00 31.45 H new ATOM 0 HB2 ALA A 32 7.198 6.913 -23.728 1.00 31.45 H new ATOM 0 HB3 ALA A 32 8.512 7.294 -24.866 1.00 31.45 H new ATOM 465 N PHE A 33 11.401 7.700 -23.457 1.00 65.24 N ATOM 466 CA PHE A 33 12.790 7.487 -23.854 1.00 41.30 C ATOM 467 C PHE A 33 13.749 7.799 -22.703 1.00 64.43 C ATOM 468 O PHE A 33 14.922 8.104 -22.926 1.00 54.03 O ATOM 469 CB PHE A 33 13.116 8.365 -25.066 1.00 70.23 C ATOM 470 CG PHE A 33 12.142 8.197 -26.207 1.00 14.54 C ATOM 471 CD1 PHE A 33 12.205 7.086 -27.035 1.00 21.21 C ATOM 472 CD2 PHE A 33 11.160 9.149 -26.447 1.00 34.35 C ATOM 473 CE1 PHE A 33 11.309 6.929 -28.078 1.00 25.54 C ATOM 474 CE2 PHE A 33 10.264 8.997 -27.488 1.00 3.51 C ATOM 475 CZ PHE A 33 10.339 7.885 -28.304 1.00 72.43 C ATOM 0 H PHE A 33 11.116 8.679 -23.443 1.00 65.24 H new ATOM 0 HA PHE A 33 12.917 6.437 -24.119 1.00 41.30 H new ATOM 0 HB2 PHE A 33 13.125 9.410 -24.756 1.00 70.23 H new ATOM 0 HB3 PHE A 33 14.120 8.128 -25.417 1.00 70.23 H new ATOM 0 HD1 PHE A 33 12.962 6.335 -26.864 1.00 21.21 H new ATOM 0 HD2 PHE A 33 11.096 10.020 -25.812 1.00 34.35 H new ATOM 0 HE1 PHE A 33 11.369 6.059 -28.715 1.00 25.54 H new ATOM 0 HE2 PHE A 33 9.506 9.746 -27.663 1.00 3.51 H new ATOM 0 HZ PHE A 33 9.640 7.764 -29.118 1.00 72.43 H new ATOM 485 N ALA A 34 13.248 7.706 -21.475 1.00 11.31 N ATOM 486 CA ALA A 34 14.052 7.984 -20.285 1.00 4.15 C ATOM 487 C ALA A 34 13.865 6.896 -19.230 1.00 15.35 C ATOM 488 O ALA A 34 13.023 6.005 -19.383 1.00 1.33 O ATOM 489 CB ALA A 34 13.690 9.350 -19.716 1.00 42.14 C ATOM 0 H ALA A 34 12.284 7.439 -21.275 1.00 11.31 H new ATOM 0 HA ALA A 34 15.103 7.991 -20.575 1.00 4.15 H new ATOM 0 HB1 ALA A 34 14.294 9.547 -18.830 1.00 42.14 H new ATOM 0 HB2 ALA A 34 13.882 10.119 -20.465 1.00 42.14 H new ATOM 0 HB3 ALA A 34 12.634 9.363 -19.445 1.00 42.14 H new ATOM 495 N ASP A 35 14.667 6.968 -18.170 1.00 65.10 N ATOM 496 CA ASP A 35 14.612 6.001 -17.070 1.00 21.44 C ATOM 497 C ASP A 35 13.737 6.546 -15.943 1.00 35.34 C ATOM 498 O ASP A 35 13.803 7.739 -15.627 1.00 10.32 O ATOM 499 CB ASP A 35 16.020 5.716 -16.518 1.00 10.33 C ATOM 500 CG ASP A 35 17.015 5.298 -17.590 1.00 71.31 C ATOM 501 OD1 ASP A 35 17.622 6.192 -18.222 1.00 62.15 O ATOM 502 OD2 ASP A 35 17.219 4.081 -17.789 1.00 74.13 O ATOM 0 H ASP A 35 15.372 7.695 -18.047 1.00 65.10 H new ATOM 0 HA ASP A 35 14.189 5.074 -17.456 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.393 6.608 -16.015 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.955 4.930 -15.766 1.00 10.33 H new ATOM 507 N VAL A 36 12.930 5.683 -15.336 1.00 51.02 N ATOM 508 CA VAL A 36 12.079 6.082 -14.217 1.00 14.20 C ATOM 509 C VAL A 36 12.824 5.917 -12.887 1.00 74.22 C ATOM 510 O VAL A 36 13.235 4.809 -12.537 1.00 4.35 O ATOM 511 CB VAL A 36 10.771 5.252 -14.169 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.915 5.658 -12.968 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.989 5.403 -15.474 1.00 3.12 C ATOM 0 H VAL A 36 12.846 4.701 -15.599 1.00 51.02 H new ATOM 0 HA VAL A 36 11.822 7.130 -14.369 1.00 14.20 H new ATOM 0 HB VAL A 36 11.036 4.201 -14.053 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.002 5.063 -12.954 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.474 5.486 -12.048 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.658 6.715 -13.045 1.00 54.14 H new ATOM 0 HG21 VAL A 36 9.074 4.813 -15.420 1.00 3.12 H new ATOM 0 HG22 VAL A 36 9.736 6.452 -15.627 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.599 5.052 -16.306 1.00 3.12 H new ATOM 523 N PRO A 37 13.026 7.018 -12.136 1.00 42.20 N ATOM 524 CA PRO A 37 13.691 6.976 -10.826 1.00 21.34 C ATOM 525 C PRO A 37 12.810 6.337 -9.749 1.00 1.14 C ATOM 526 O PRO A 37 11.585 6.261 -9.896 1.00 71.23 O ATOM 527 CB PRO A 37 13.959 8.461 -10.498 1.00 33.33 C ATOM 528 CG PRO A 37 13.664 9.209 -11.760 1.00 74.14 C ATOM 529 CD PRO A 37 12.644 8.390 -12.497 1.00 3.15 C ATOM 0 HA PRO A 37 14.596 6.369 -10.852 1.00 21.34 H new ATOM 0 HB2 PRO A 37 13.323 8.803 -9.681 1.00 33.33 H new ATOM 0 HB3 PRO A 37 14.992 8.613 -10.184 1.00 33.33 H new ATOM 0 HG2 PRO A 37 13.281 10.206 -11.542 1.00 74.14 H new ATOM 0 HG3 PRO A 37 14.567 9.338 -12.357 1.00 74.14 H new ATOM 0 HD2 PRO A 37 11.628 8.626 -12.181 1.00 3.15 H new ATOM 0 HD3 PRO A 37 12.690 8.555 -13.573 1.00 3.15 H new ATOM 537 N ALA A 38 13.439 5.881 -8.667 1.00 5.25 N ATOM 538 CA ALA A 38 12.716 5.295 -7.543 1.00 34.34 C ATOM 539 C ALA A 38 11.748 6.311 -6.937 1.00 32.33 C ATOM 540 O ALA A 38 12.044 7.508 -6.892 1.00 13.31 O ATOM 541 CB ALA A 38 13.695 4.794 -6.489 1.00 11.05 C ATOM 0 H ALA A 38 14.452 5.907 -8.546 1.00 5.25 H new ATOM 0 HA ALA A 38 12.136 4.448 -7.909 1.00 34.34 H new ATOM 0 HB1 ALA A 38 13.142 4.359 -5.656 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.345 4.037 -6.927 1.00 11.05 H new ATOM 0 HB3 ALA A 38 14.299 5.627 -6.128 1.00 11.05 H new ATOM 547 N GLY A 39 10.598 5.824 -6.478 1.00 34.21 N ATOM 548 CA GLY A 39 9.566 6.691 -5.927 1.00 13.01 C ATOM 549 C GLY A 39 8.430 6.898 -6.909 1.00 60.32 C ATOM 550 O GLY A 39 7.325 7.299 -6.530 1.00 53.32 O ATOM 0 H GLY A 39 10.359 4.832 -6.478 1.00 34.21 H new ATOM 0 HA2 GLY A 39 9.177 6.256 -5.006 1.00 13.01 H new ATOM 0 HA3 GLY A 39 10.002 7.655 -5.665 1.00 13.01 H new ATOM 554 N TRP A 40 8.706 6.617 -8.179 1.00 51.51 N ATOM 555 CA TRP A 40 7.716 6.741 -9.243 1.00 73.43 C ATOM 556 C TRP A 40 7.276 5.356 -9.708 1.00 13.52 C ATOM 557 O TRP A 40 8.094 4.568 -10.189 1.00 74.51 O ATOM 558 CB TRP A 40 8.304 7.511 -10.431 1.00 45.14 C ATOM 559 CG TRP A 40 8.899 8.840 -10.076 1.00 44.13 C ATOM 560 CD1 TRP A 40 10.105 9.058 -9.475 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.333 10.132 -10.324 1.00 12.14 C ATOM 562 NE1 TRP A 40 10.318 10.402 -9.325 1.00 74.20 N ATOM 563 CE2 TRP A 40 9.245 11.086 -9.837 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.141 10.576 -10.907 1.00 32.41 C ATOM 565 CZ2 TRP A 40 9.005 12.454 -9.913 1.00 14.53 C ATOM 566 CZ3 TRP A 40 6.904 11.935 -10.984 1.00 71.15 C ATOM 567 CH2 TRP A 40 7.831 12.862 -10.489 1.00 62.31 C ATOM 0 H TRP A 40 9.620 6.298 -8.499 1.00 51.51 H new ATOM 0 HA TRP A 40 6.856 7.286 -8.854 1.00 73.43 H new ATOM 0 HB2 TRP A 40 9.072 6.897 -10.902 1.00 45.14 H new ATOM 0 HB3 TRP A 40 7.520 7.664 -11.172 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.791 8.284 -9.164 1.00 34.43 H new ATOM 0 HE1 TRP A 40 11.143 10.827 -8.901 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.419 9.869 -11.290 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 9.719 13.169 -9.531 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 5.988 12.289 -11.434 1.00 71.15 H new ATOM 0 HH2 TRP A 40 7.616 13.918 -10.563 1.00 62.31 H new ATOM 578 N ARG A 41 5.993 5.061 -9.563 1.00 24.31 N ATOM 579 CA ARG A 41 5.434 3.787 -10.003 1.00 20.05 C ATOM 580 C ARG A 41 4.667 3.985 -11.308 1.00 55.23 C ATOM 581 O ARG A 41 3.787 4.842 -11.399 1.00 13.03 O ATOM 582 CB ARG A 41 4.512 3.213 -8.916 1.00 53.34 C ATOM 583 CG ARG A 41 3.355 4.135 -8.533 1.00 52.42 C ATOM 584 CD ARG A 41 2.561 3.609 -7.347 1.00 12.34 C ATOM 585 NE ARG A 41 1.915 2.323 -7.626 1.00 63.22 N ATOM 586 CZ ARG A 41 0.947 1.799 -6.871 1.00 44.45 C ATOM 587 NH1 ARG A 41 0.483 2.466 -5.822 1.00 42.12 N ATOM 588 NH2 ARG A 41 0.434 0.608 -7.172 1.00 31.14 N ATOM 0 H ARG A 41 5.312 5.692 -9.140 1.00 24.31 H new ATOM 0 HA ARG A 41 6.244 3.079 -10.177 1.00 20.05 H new ATOM 0 HB2 ARG A 41 4.106 2.262 -9.263 1.00 53.34 H new ATOM 0 HB3 ARG A 41 5.104 3.001 -8.026 1.00 53.34 H new ATOM 0 HG2 ARG A 41 3.746 5.124 -8.295 1.00 52.42 H new ATOM 0 HG3 ARG A 41 2.690 4.253 -9.388 1.00 52.42 H new ATOM 0 HD2 ARG A 41 3.225 3.499 -6.490 1.00 12.34 H new ATOM 0 HD3 ARG A 41 1.802 4.340 -7.070 1.00 12.34 H new ATOM 0 HE ARG A 41 2.223 1.798 -8.445 1.00 63.22 H new ATOM 0 HH11 ARG A 41 0.866 3.382 -5.590 1.00 42.12 H new ATOM 0 HH12 ARG A 41 -0.257 2.062 -5.247 1.00 42.12 H new ATOM 0 HH21 ARG A 41 0.781 0.093 -7.981 1.00 31.14 H new ATOM 0 HH22 ARG A 41 -0.306 0.210 -6.593 1.00 31.14 H new ATOM 602 N VAL A 42 5.010 3.205 -12.320 1.00 41.41 N ATOM 603 CA VAL A 42 4.358 3.314 -13.621 1.00 54.33 C ATOM 604 C VAL A 42 3.159 2.363 -13.689 1.00 41.04 C ATOM 605 O VAL A 42 3.259 1.203 -13.277 1.00 60.22 O ATOM 606 CB VAL A 42 5.359 3.036 -14.783 1.00 3.04 C ATOM 607 CG1 VAL A 42 5.863 1.595 -14.759 1.00 41.04 C ATOM 608 CG2 VAL A 42 4.739 3.378 -16.134 1.00 13.44 C ATOM 0 H VAL A 42 5.735 2.489 -12.269 1.00 41.41 H new ATOM 0 HA VAL A 42 4.000 4.337 -13.740 1.00 54.33 H new ATOM 0 HB VAL A 42 6.221 3.686 -14.634 1.00 3.04 H new ATOM 0 HG11 VAL A 42 6.558 1.439 -15.584 1.00 41.04 H new ATOM 0 HG12 VAL A 42 6.372 1.403 -13.814 1.00 41.04 H new ATOM 0 HG13 VAL A 42 5.019 0.913 -14.862 1.00 41.04 H new ATOM 0 HG21 VAL A 42 5.459 3.175 -16.927 1.00 13.44 H new ATOM 0 HG22 VAL A 42 3.847 2.771 -16.289 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.467 4.433 -16.153 1.00 13.44 H new ATOM 618 N VAL A 43 2.018 2.856 -14.183 1.00 12.04 N ATOM 619 CA VAL A 43 0.805 2.030 -14.273 1.00 4.12 C ATOM 620 C VAL A 43 0.616 1.495 -15.691 1.00 0.32 C ATOM 621 O VAL A 43 -0.306 0.718 -15.961 1.00 14.03 O ATOM 622 CB VAL A 43 -0.466 2.793 -13.806 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.371 3.128 -12.320 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.689 4.059 -14.626 1.00 73.33 C ATOM 0 H VAL A 43 1.907 3.811 -14.523 1.00 12.04 H new ATOM 0 HA VAL A 43 0.945 1.189 -13.594 1.00 4.12 H new ATOM 0 HB VAL A 43 -1.324 2.140 -13.964 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.269 3.662 -12.009 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -0.279 2.207 -11.745 1.00 51.05 H new ATOM 0 HG13 VAL A 43 0.503 3.755 -12.143 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.586 4.568 -14.273 1.00 73.33 H new ATOM 0 HG22 VAL A 43 0.171 4.720 -14.516 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.811 3.795 -15.677 1.00 73.33 H new ATOM 634 N HIS A 44 1.491 1.947 -16.589 1.00 64.55 N ATOM 635 CA HIS A 44 1.638 1.367 -17.922 1.00 44.42 C ATOM 636 C HIS A 44 2.789 2.054 -18.651 1.00 73.35 C ATOM 637 O HIS A 44 2.866 3.297 -18.673 1.00 2.12 O ATOM 638 CB HIS A 44 0.354 1.476 -18.762 1.00 33.41 C ATOM 639 CG HIS A 44 0.426 0.675 -20.034 1.00 64.22 C ATOM 640 ND1 HIS A 44 1.081 1.107 -21.165 1.00 63.31 N ATOM 641 CD2 HIS A 44 -0.050 -0.556 -20.334 1.00 24.33 C ATOM 642 CE1 HIS A 44 1.008 0.180 -22.099 1.00 61.35 C ATOM 643 NE2 HIS A 44 0.326 -0.841 -21.622 1.00 12.24 N ATOM 0 H HIS A 44 2.120 2.730 -16.411 1.00 64.55 H new ATOM 0 HA HIS A 44 1.847 0.305 -17.793 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.494 1.134 -18.169 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.171 2.523 -19.006 1.00 33.41 H new ATOM 0 HD1 HIS A 44 1.551 2.007 -21.265 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -0.621 -1.197 -19.679 1.00 24.33 H new ATOM 0 HE1 HIS A 44 1.435 0.246 -23.089 1.00 61.35 H new ATOM 652 N GLY A 45 3.683 1.240 -19.224 1.00 42.11 N ATOM 653 CA GLY A 45 4.847 1.744 -19.938 1.00 12.53 C ATOM 654 C GLY A 45 4.517 2.222 -21.339 1.00 61.03 C ATOM 655 O GLY A 45 3.342 2.298 -21.706 1.00 13.13 O ATOM 0 H GLY A 45 3.615 0.222 -19.203 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.286 2.566 -19.373 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.600 0.958 -19.995 1.00 12.53 H new ATOM 659 N GLU A 46 5.558 2.534 -22.120 1.00 70.20 N ATOM 660 CA GLU A 46 5.402 3.148 -23.447 1.00 12.32 C ATOM 661 C GLU A 46 4.404 2.390 -24.331 1.00 41.42 C ATOM 662 O GLU A 46 4.221 1.180 -24.185 1.00 12.04 O ATOM 663 CB GLU A 46 6.769 3.302 -24.147 1.00 10.22 C ATOM 664 CG GLU A 46 7.750 2.149 -23.928 1.00 43.31 C ATOM 665 CD GLU A 46 7.285 0.828 -24.517 1.00 74.34 C ATOM 666 OE1 GLU A 46 7.128 0.743 -25.757 1.00 5.12 O ATOM 667 OE2 GLU A 46 7.093 -0.137 -23.750 1.00 62.12 O ATOM 0 H GLU A 46 6.529 2.370 -21.853 1.00 70.20 H new ATOM 0 HA GLU A 46 4.984 4.143 -23.291 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.600 3.414 -25.218 1.00 10.22 H new ATOM 0 HB3 GLU A 46 7.235 4.224 -23.799 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.711 2.414 -24.368 1.00 43.31 H new ATOM 0 HG3 GLU A 46 7.913 2.022 -22.858 1.00 43.31 H new ATOM 674 N ALA A 47 3.759 3.119 -25.249 1.00 23.10 N ATOM 675 CA ALA A 47 2.689 2.554 -26.066 1.00 63.51 C ATOM 676 C ALA A 47 2.414 3.391 -27.324 1.00 73.41 C ATOM 677 O ALA A 47 3.033 4.436 -27.536 1.00 62.32 O ATOM 678 CB ALA A 47 1.429 2.423 -25.229 1.00 61.02 C ATOM 0 H ALA A 47 3.962 4.100 -25.442 1.00 23.10 H new ATOM 0 HA ALA A 47 3.010 1.569 -26.406 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.630 2.001 -25.838 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.623 1.767 -24.380 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.129 3.406 -24.867 1.00 61.02 H new ATOM 684 N ASP A 48 1.455 2.923 -28.131 1.00 43.44 N ATOM 685 CA ASP A 48 1.170 3.482 -29.464 1.00 51.31 C ATOM 686 C ASP A 48 -0.006 4.468 -29.443 1.00 41.22 C ATOM 687 O ASP A 48 -0.631 4.696 -28.401 1.00 41.42 O ATOM 688 CB ASP A 48 0.830 2.340 -30.434 1.00 34.15 C ATOM 689 CG ASP A 48 1.873 1.233 -30.448 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.941 0.466 -29.465 1.00 44.10 O ATOM 691 OD2 ASP A 48 2.623 1.117 -31.439 1.00 61.52 O ATOM 0 H ASP A 48 0.850 2.142 -27.879 1.00 43.44 H new ATOM 0 HA ASP A 48 2.061 4.021 -29.786 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.136 1.916 -30.161 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.727 2.746 -31.440 1.00 34.15 H new ATOM 696 N ARG A 49 -0.317 5.028 -30.622 1.00 53.53 N ATOM 697 CA ARG A 49 -1.463 5.931 -30.799 1.00 35.31 C ATOM 698 C ARG A 49 -2.755 5.242 -30.368 1.00 63.41 C ATOM 699 O ARG A 49 -3.539 5.783 -29.577 1.00 64.05 O ATOM 700 CB ARG A 49 -1.585 6.350 -32.270 1.00 64.50 C ATOM 701 CG ARG A 49 -2.750 7.296 -32.560 1.00 25.32 C ATOM 702 CD ARG A 49 -2.470 8.711 -32.072 1.00 61.13 C ATOM 703 NE ARG A 49 -1.331 9.301 -32.778 1.00 44.12 N ATOM 704 CZ ARG A 49 -0.960 10.574 -32.684 1.00 64.24 C ATOM 705 NH1 ARG A 49 -1.625 11.417 -31.899 1.00 24.55 N ATOM 706 NH2 ARG A 49 0.086 11.000 -33.379 1.00 74.33 N ATOM 0 H ARG A 49 0.217 4.868 -31.476 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.300 6.813 -30.180 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.656 6.831 -32.577 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.698 5.455 -32.882 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.944 7.314 -33.632 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -3.652 6.918 -32.079 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.354 9.331 -32.221 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -2.268 8.695 -31.001 1.00 61.13 H new ATOM 0 HE ARG A 49 -0.783 8.692 -33.385 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -2.428 11.089 -31.362 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -1.332 12.392 -31.834 1.00 24.55 H new ATOM 0 HH21 ARG A 49 0.598 10.353 -33.979 1.00 74.33 H new ATOM 0 HH22 ARG A 49 0.379 11.975 -33.314 1.00 74.33 H new ATOM 720 N ALA A 50 -2.967 4.040 -30.901 1.00 72.03 N ATOM 721 CA ALA A 50 -4.139 3.237 -30.564 1.00 51.03 C ATOM 722 C ALA A 50 -4.250 3.077 -29.052 1.00 12.03 C ATOM 723 O ALA A 50 -5.342 3.053 -28.488 1.00 12.24 O ATOM 724 CB ALA A 50 -4.052 1.873 -31.241 1.00 12.12 C ATOM 0 H ALA A 50 -2.338 3.599 -31.572 1.00 72.03 H new ATOM 0 HA ALA A 50 -5.032 3.747 -30.924 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.931 1.282 -30.983 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -4.008 2.005 -32.322 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.155 1.355 -30.902 1.00 12.12 H new ATOM 730 N ALA A 51 -3.095 3.001 -28.404 1.00 52.32 N ATOM 731 CA ALA A 51 -3.013 2.846 -26.959 1.00 4.44 C ATOM 732 C ALA A 51 -3.326 4.167 -26.243 1.00 42.22 C ATOM 733 O ALA A 51 -3.853 4.174 -25.116 1.00 11.11 O ATOM 734 CB ALA A 51 -1.639 2.321 -26.582 1.00 13.05 C ATOM 0 H ALA A 51 -2.187 3.045 -28.867 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.762 2.124 -26.636 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.578 2.205 -25.500 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.475 1.355 -27.060 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.876 3.025 -26.915 1.00 13.05 H new ATOM 740 N CYS A 52 -2.979 5.283 -26.890 1.00 32.44 N ATOM 741 CA CYS A 52 -3.372 6.606 -26.403 1.00 51.42 C ATOM 742 C CYS A 52 -4.892 6.674 -26.329 1.00 23.32 C ATOM 743 O CYS A 52 -5.473 7.061 -25.306 1.00 3.22 O ATOM 744 CB CYS A 52 -2.845 7.708 -27.334 1.00 61.32 C ATOM 745 SG CYS A 52 -1.064 7.648 -27.650 1.00 33.32 S ATOM 0 H CYS A 52 -2.429 5.296 -27.749 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.943 6.764 -25.414 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -3.371 7.642 -28.286 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -3.090 8.678 -26.901 1.00 61.32 H new ATOM 0 HG CYS A 52 -0.424 7.608 -26.519 1.00 33.32 H new ATOM 751 N LEU A 53 -5.526 6.257 -27.419 1.00 43.35 N ATOM 752 CA LEU A 53 -6.981 6.221 -27.503 1.00 74.32 C ATOM 753 C LEU A 53 -7.548 5.180 -26.539 1.00 2.01 C ATOM 754 O LEU A 53 -8.601 5.381 -25.938 1.00 41.12 O ATOM 755 CB LEU A 53 -7.420 5.920 -28.939 1.00 44.01 C ATOM 756 CG LEU A 53 -6.927 6.927 -29.993 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.395 6.525 -31.387 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.398 8.340 -29.651 1.00 15.11 C ATOM 0 H LEU A 53 -5.051 5.937 -28.263 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.371 7.198 -27.218 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -7.063 4.927 -29.212 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.509 5.887 -28.971 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.837 6.919 -29.986 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -7.035 7.251 -32.115 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -7.001 5.539 -31.633 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.484 6.497 -31.411 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -7.039 9.037 -30.409 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.487 8.364 -29.624 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -7.004 8.629 -28.677 1.00 15.11 H new ATOM 770 N GLU A 54 -6.833 4.072 -26.392 1.00 54.41 N ATOM 771 CA GLU A 54 -7.240 3.002 -25.487 1.00 14.33 C ATOM 772 C GLU A 54 -7.277 3.506 -24.039 1.00 52.22 C ATOM 773 O GLU A 54 -8.206 3.204 -23.293 1.00 22.30 O ATOM 774 CB GLU A 54 -6.270 1.822 -25.618 1.00 0.25 C ATOM 775 CG GLU A 54 -6.724 0.544 -24.920 1.00 41.53 C ATOM 776 CD GLU A 54 -7.942 -0.091 -25.570 1.00 73.12 C ATOM 777 OE1 GLU A 54 -7.833 -0.531 -26.736 1.00 55.44 O ATOM 778 OE2 GLU A 54 -9.004 -0.186 -24.912 1.00 65.32 O ATOM 0 H GLU A 54 -5.962 3.889 -26.891 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.243 2.672 -25.757 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -6.120 1.608 -26.676 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -5.303 2.118 -25.212 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -5.904 -0.174 -24.920 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -6.951 0.768 -23.878 1.00 41.53 H new ATOM 785 N TYR A 55 -6.267 4.291 -23.660 1.00 63.34 N ATOM 786 CA TYR A 55 -6.156 4.819 -22.297 1.00 53.30 C ATOM 787 C TYR A 55 -7.312 5.770 -21.976 1.00 12.43 C ATOM 788 O TYR A 55 -7.981 5.625 -20.950 1.00 25.40 O ATOM 789 CB TYR A 55 -4.805 5.531 -22.106 1.00 54.33 C ATOM 790 CG TYR A 55 -4.682 6.298 -20.801 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.596 5.631 -19.583 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.648 7.688 -20.789 1.00 54.33 C ATOM 793 CE1 TYR A 55 -4.481 6.327 -18.396 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.533 8.390 -19.604 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.451 7.704 -18.412 1.00 71.24 C ATOM 796 OH TYR A 55 -4.329 8.399 -17.228 1.00 1.32 O ATOM 0 H TYR A 55 -5.510 4.577 -24.281 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.211 3.979 -21.605 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -4.007 4.790 -22.155 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.651 6.221 -22.935 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.620 4.551 -19.566 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.713 8.228 -21.722 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -4.415 5.794 -17.459 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -4.508 9.470 -19.612 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.397 7.776 -16.475 1.00 1.32 H new ATOM 806 N ILE A 56 -7.554 6.738 -22.858 1.00 72.14 N ATOM 807 CA ILE A 56 -8.629 7.705 -22.641 1.00 54.34 C ATOM 808 C ILE A 56 -9.987 7.002 -22.649 1.00 35.30 C ATOM 809 O ILE A 56 -10.875 7.334 -21.858 1.00 14.25 O ATOM 810 CB ILE A 56 -8.613 8.854 -23.692 1.00 50.34 C ATOM 811 CG1 ILE A 56 -9.854 9.753 -23.536 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.528 8.300 -25.108 1.00 54.41 C ATOM 813 CD1 ILE A 56 -9.878 10.944 -24.473 1.00 32.34 C ATOM 0 H ILE A 56 -7.027 6.873 -23.721 1.00 72.14 H new ATOM 0 HA ILE A 56 -8.461 8.157 -21.664 1.00 54.34 H new ATOM 0 HB ILE A 56 -7.725 9.459 -23.512 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -10.748 9.153 -23.706 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -9.902 10.112 -22.508 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.519 9.124 -25.821 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.614 7.716 -25.216 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.391 7.663 -25.302 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -10.784 11.525 -24.299 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -9.004 11.569 -24.289 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -9.863 10.595 -25.506 1.00 32.34 H new ATOM 825 N GLU A 57 -10.127 6.007 -23.518 1.00 31.32 N ATOM 826 CA GLU A 57 -11.368 5.252 -23.629 1.00 13.01 C ATOM 827 C GLU A 57 -11.533 4.320 -22.428 1.00 51.21 C ATOM 828 O GLU A 57 -12.654 3.980 -22.040 1.00 71.31 O ATOM 829 CB GLU A 57 -11.376 4.445 -24.931 1.00 52.35 C ATOM 830 CG GLU A 57 -12.754 3.933 -25.328 1.00 14.33 C ATOM 831 CD GLU A 57 -13.672 5.046 -25.801 1.00 72.01 C ATOM 832 OE1 GLU A 57 -13.596 5.413 -26.994 1.00 53.13 O ATOM 833 OE2 GLU A 57 -14.458 5.573 -24.984 1.00 43.21 O ATOM 0 H GLU A 57 -9.393 5.704 -24.158 1.00 31.32 H new ATOM 0 HA GLU A 57 -12.204 5.951 -23.642 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -10.984 5.067 -25.736 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.700 3.597 -24.826 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.649 3.192 -26.120 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.210 3.427 -24.477 1.00 14.33 H new ATOM 840 N GLU A 58 -10.404 3.898 -21.858 1.00 12.22 N ATOM 841 CA GLU A 58 -10.397 3.066 -20.654 1.00 60.15 C ATOM 842 C GLU A 58 -11.065 3.825 -19.504 1.00 33.10 C ATOM 843 O GLU A 58 -11.841 3.253 -18.732 1.00 31.32 O ATOM 844 CB GLU A 58 -8.952 2.670 -20.297 1.00 74.11 C ATOM 845 CG GLU A 58 -8.827 1.770 -19.074 1.00 63.14 C ATOM 846 CD GLU A 58 -7.399 1.301 -18.831 1.00 0.13 C ATOM 847 OE1 GLU A 58 -6.502 2.154 -18.692 1.00 74.42 O ATOM 848 OE2 GLU A 58 -7.168 0.074 -18.762 1.00 52.44 O ATOM 0 H GLU A 58 -9.475 4.121 -22.215 1.00 12.22 H new ATOM 0 HA GLU A 58 -10.961 2.151 -20.836 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -8.506 2.163 -21.153 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.372 3.577 -20.126 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -9.183 2.307 -18.195 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -9.474 0.902 -19.200 1.00 63.14 H new ATOM 855 N HIS A 59 -10.751 5.121 -19.413 1.00 11.51 N ATOM 856 CA HIS A 59 -11.443 6.045 -18.507 1.00 45.14 C ATOM 857 C HIS A 59 -11.246 5.649 -17.037 1.00 52.43 C ATOM 858 O HIS A 59 -12.003 6.079 -16.164 1.00 13.30 O ATOM 859 CB HIS A 59 -12.940 6.094 -18.873 1.00 40.10 C ATOM 860 CG HIS A 59 -13.722 7.182 -18.197 1.00 63.15 C ATOM 861 ND1 HIS A 59 -14.897 6.950 -17.517 1.00 32.20 N ATOM 862 CD2 HIS A 59 -13.513 8.519 -18.132 1.00 71.52 C ATOM 863 CE1 HIS A 59 -15.375 8.092 -17.066 1.00 40.20 C ATOM 864 NE2 HIS A 59 -14.556 9.060 -17.423 1.00 25.42 N ATOM 0 H HIS A 59 -10.012 5.559 -19.963 1.00 11.51 H new ATOM 0 HA HIS A 59 -11.012 7.039 -18.626 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -13.031 6.218 -19.952 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -13.391 5.134 -18.623 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -12.680 9.059 -18.559 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -16.286 8.214 -16.499 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -14.677 10.050 -17.208 1.00 25.42 H new ATOM 873 N TRP A 60 -10.204 4.853 -16.774 1.00 72.13 N ATOM 874 CA TRP A 60 -9.875 4.398 -15.417 1.00 71.34 C ATOM 875 C TRP A 60 -11.040 3.632 -14.774 1.00 40.15 C ATOM 876 O TRP A 60 -11.872 4.218 -14.078 1.00 70.12 O ATOM 877 CB TRP A 60 -9.462 5.580 -14.518 1.00 31.04 C ATOM 878 CG TRP A 60 -8.126 6.172 -14.867 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.876 7.178 -15.759 1.00 44.10 C ATOM 880 CD2 TRP A 60 -6.856 5.791 -14.323 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.529 7.445 -15.798 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.882 6.606 -14.927 1.00 60.21 C ATOM 883 CE3 TRP A 60 -6.450 4.840 -13.380 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.528 6.498 -14.621 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -5.106 4.734 -13.079 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.157 5.559 -13.697 1.00 3.21 C ATOM 0 H TRP A 60 -9.567 4.507 -17.492 1.00 72.13 H new ATOM 0 HA TRP A 60 -9.030 3.715 -15.509 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -10.222 6.358 -14.586 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -9.440 5.245 -13.481 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.626 7.687 -16.346 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.082 8.153 -16.381 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -7.174 4.201 -12.897 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.796 7.133 -15.097 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -4.781 4.002 -12.354 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -3.114 5.452 -13.440 1.00 3.21 H new ATOM 897 N PRO A 61 -11.120 2.310 -15.011 1.00 53.15 N ATOM 898 CA PRO A 61 -12.132 1.452 -14.401 1.00 60.42 C ATOM 899 C PRO A 61 -11.652 0.857 -13.075 1.00 63.32 C ATOM 900 O PRO A 61 -10.518 1.100 -12.651 1.00 74.04 O ATOM 901 CB PRO A 61 -12.306 0.365 -15.463 1.00 23.13 C ATOM 902 CG PRO A 61 -10.937 0.202 -16.054 1.00 54.12 C ATOM 903 CD PRO A 61 -10.235 1.538 -15.906 1.00 12.01 C ATOM 0 HA PRO A 61 -13.052 1.979 -14.148 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -12.663 -0.567 -15.024 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -13.033 0.660 -16.219 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -10.385 -0.584 -15.539 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -11.001 -0.087 -17.103 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -9.239 1.420 -15.478 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -10.112 2.033 -16.869 1.00 12.01 H new ATOM 911 N ASP A 62 -12.521 0.091 -12.421 1.00 32.11 N ATOM 912 CA ASP A 62 -12.162 -0.598 -11.181 1.00 14.31 C ATOM 913 C ASP A 62 -11.170 -1.717 -11.485 1.00 34.34 C ATOM 914 O ASP A 62 -10.114 -1.827 -10.858 1.00 74.44 O ATOM 915 CB ASP A 62 -13.415 -1.177 -10.509 1.00 44.51 C ATOM 916 CG ASP A 62 -13.106 -1.903 -9.202 1.00 24.42 C ATOM 917 OD1 ASP A 62 -12.727 -3.091 -9.244 1.00 14.01 O ATOM 918 OD2 ASP A 62 -13.259 -1.293 -8.124 1.00 61.41 O ATOM 0 H ASP A 62 -13.480 -0.069 -12.728 1.00 32.11 H new ATOM 0 HA ASP A 62 -11.702 0.118 -10.500 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -14.121 -0.370 -10.313 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -13.903 -1.868 -11.196 1.00 44.51 H new ATOM 923 N ILE A 63 -11.525 -2.535 -12.472 1.00 0.00 N ATOM 924 CA ILE A 63 -10.687 -3.642 -12.911 1.00 44.50 C ATOM 925 C ILE A 63 -10.245 -3.430 -14.357 1.00 32.32 C ATOM 926 O ILE A 63 -11.072 -3.178 -15.234 1.00 13.12 O ATOM 927 CB ILE A 63 -11.426 -5.003 -12.790 1.00 41.40 C ATOM 928 CG1 ILE A 63 -12.777 -4.962 -13.531 1.00 23.02 C ATOM 929 CG2 ILE A 63 -11.622 -5.378 -11.320 1.00 3.52 C ATOM 930 CD1 ILE A 63 -13.548 -6.267 -13.480 1.00 43.03 C ATOM 0 H ILE A 63 -12.401 -2.448 -12.988 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.813 -3.668 -12.260 1.00 44.50 H new ATOM 0 HB ILE A 63 -10.809 -5.770 -13.259 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -13.392 -4.171 -13.101 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -12.600 -4.697 -14.573 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -12.141 -6.334 -11.255 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -10.650 -5.459 -10.832 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -12.214 -4.609 -10.824 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -14.486 -6.157 -14.024 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -12.954 -7.058 -13.937 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -13.758 -6.525 -12.442 1.00 43.03 H new ATOM 942 N ARG A 64 -8.941 -3.501 -14.593 1.00 63.13 N ATOM 943 CA ARG A 64 -8.398 -3.422 -15.946 1.00 42.30 C ATOM 944 C ARG A 64 -7.684 -4.737 -16.281 1.00 24.20 C ATOM 945 O ARG A 64 -6.511 -4.930 -15.948 1.00 71.42 O ATOM 946 CB ARG A 64 -7.472 -2.195 -16.093 1.00 5.01 C ATOM 947 CG ARG A 64 -6.262 -2.178 -15.159 1.00 72.23 C ATOM 948 CD ARG A 64 -5.555 -0.821 -15.166 1.00 23.51 C ATOM 949 NE ARG A 64 -5.385 -0.281 -16.519 1.00 24.12 N ATOM 950 CZ ARG A 64 -4.219 0.106 -17.045 1.00 51.34 C ATOM 951 NH1 ARG A 64 -3.087 -0.036 -16.354 1.00 21.41 N ATOM 952 NH2 ARG A 64 -4.199 0.642 -18.257 1.00 1.45 N ATOM 0 H ARG A 64 -8.237 -3.613 -13.864 1.00 63.13 H new ATOM 0 HA ARG A 64 -9.208 -3.285 -16.662 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -7.117 -2.149 -17.123 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -8.059 -1.294 -15.918 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -6.583 -2.415 -14.145 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -5.560 -2.955 -15.461 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -6.128 -0.114 -14.566 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -4.578 -0.922 -14.694 1.00 23.51 H new ATOM 0 HE ARG A 64 -6.218 -0.194 -17.101 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -3.108 -0.442 -15.419 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -2.200 0.261 -16.761 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -5.068 0.756 -18.779 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -3.315 0.941 -18.668 1.00 1.45 H new ATOM 966 N PRO A 65 -8.416 -5.685 -16.904 1.00 13.42 N ATOM 967 CA PRO A 65 -7.928 -7.052 -17.144 1.00 21.15 C ATOM 968 C PRO A 65 -6.764 -7.117 -18.136 1.00 52.11 C ATOM 969 O PRO A 65 -6.932 -7.521 -19.291 1.00 62.12 O ATOM 970 CB PRO A 65 -9.166 -7.796 -17.696 1.00 31.52 C ATOM 971 CG PRO A 65 -10.327 -6.903 -17.397 1.00 32.30 C ATOM 972 CD PRO A 65 -9.782 -5.504 -17.421 1.00 31.11 C ATOM 0 HA PRO A 65 -7.525 -7.491 -16.232 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -9.073 -7.975 -18.767 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -9.285 -8.769 -17.220 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -11.117 -7.028 -18.137 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -10.761 -7.137 -16.425 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -9.783 -5.085 -18.427 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -10.367 -4.830 -16.795 1.00 31.11 H new ATOM 980 N LYS A 66 -5.585 -6.713 -17.680 1.00 32.35 N ATOM 981 CA LYS A 66 -4.372 -6.829 -18.479 1.00 12.54 C ATOM 982 C LYS A 66 -3.973 -8.299 -18.600 1.00 64.54 C ATOM 983 O LYS A 66 -3.271 -8.833 -17.738 1.00 64.34 O ATOM 984 CB LYS A 66 -3.227 -6.015 -17.853 1.00 13.42 C ATOM 985 CG LYS A 66 -3.513 -4.519 -17.747 1.00 20.12 C ATOM 986 CD LYS A 66 -2.306 -3.737 -17.223 1.00 14.20 C ATOM 987 CE LYS A 66 -1.908 -4.159 -15.809 1.00 34.20 C ATOM 988 NZ LYS A 66 -0.695 -3.434 -15.333 1.00 63.22 N ATOM 0 H LYS A 66 -5.443 -6.301 -16.758 1.00 32.35 H new ATOM 0 HA LYS A 66 -4.568 -6.428 -19.473 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -3.020 -6.406 -16.857 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -2.325 -6.161 -18.447 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -3.796 -4.134 -18.727 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -4.363 -4.359 -17.084 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -1.461 -3.885 -17.895 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -2.536 -2.672 -17.230 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -2.736 -3.968 -15.127 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -1.720 -5.233 -15.790 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -0.791 -3.226 -14.319 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 0.146 -4.026 -15.487 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -0.593 -2.544 -15.861 1.00 63.22 H new ATOM 1002 N SER A 67 -4.457 -8.955 -19.653 1.00 62.31 N ATOM 1003 CA SER A 67 -4.217 -10.379 -19.854 1.00 54.23 C ATOM 1004 C SER A 67 -4.423 -10.767 -21.320 1.00 53.41 C ATOM 1005 O SER A 67 -4.823 -9.935 -22.141 1.00 22.22 O ATOM 1006 CB SER A 67 -5.142 -11.191 -18.936 1.00 60.21 C ATOM 1007 OG SER A 67 -6.491 -10.773 -19.065 1.00 72.44 O ATOM 0 H SER A 67 -5.020 -8.518 -20.383 1.00 62.31 H new ATOM 0 HA SER A 67 -3.181 -10.602 -19.599 1.00 54.23 H new ATOM 0 HB2 SER A 67 -5.062 -12.250 -19.180 1.00 60.21 H new ATOM 0 HB3 SER A 67 -4.821 -11.078 -17.900 1.00 60.21 H new ATOM 0 HG SER A 67 -7.057 -11.308 -18.471 1.00 72.44 H new ATOM 1013 N LEU A 68 -4.148 -12.031 -21.643 1.00 64.11 N ATOM 1014 CA LEU A 68 -4.238 -12.524 -23.016 1.00 43.11 C ATOM 1015 C LEU A 68 -5.532 -13.315 -23.223 1.00 71.30 C ATOM 1016 O LEU A 68 -5.790 -14.299 -22.518 1.00 53.54 O ATOM 1017 CB LEU A 68 -3.020 -13.404 -23.359 1.00 3.52 C ATOM 1018 CG LEU A 68 -1.649 -12.690 -23.358 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -1.682 -11.438 -24.233 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -1.191 -12.355 -21.934 1.00 63.42 C ATOM 0 H LEU A 68 -3.859 -12.737 -20.966 1.00 64.11 H new ATOM 0 HA LEU A 68 -4.245 -11.662 -23.684 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -2.979 -14.228 -22.646 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -3.179 -13.842 -24.344 1.00 3.52 H new ATOM 0 HG LEU A 68 -0.920 -13.379 -23.783 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -0.705 -10.955 -24.214 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -1.930 -11.716 -25.257 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -2.435 -10.748 -23.852 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -0.224 -11.854 -21.971 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -1.922 -11.699 -21.462 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -1.101 -13.274 -21.355 1.00 63.42 H new ATOM 1032 N ARG A 69 -6.334 -12.889 -24.198 1.00 72.54 N ATOM 1033 CA ARG A 69 -7.616 -13.530 -24.487 1.00 51.11 C ATOM 1034 C ARG A 69 -7.444 -14.688 -25.474 1.00 31.31 C ATOM 1035 O ARG A 69 -6.614 -14.612 -26.384 1.00 25.43 O ATOM 1036 CB ARG A 69 -8.609 -12.508 -25.064 1.00 23.24 C ATOM 1037 CG ARG A 69 -10.016 -13.071 -25.248 1.00 3.32 C ATOM 1038 CD ARG A 69 -10.933 -12.119 -26.001 1.00 63.15 C ATOM 1039 NE ARG A 69 -12.300 -12.647 -26.082 1.00 63.40 N ATOM 1040 CZ ARG A 69 -12.711 -13.548 -26.983 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -11.862 -14.053 -27.868 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -13.972 -13.962 -26.979 1.00 11.13 N ATOM 0 H ARG A 69 -6.117 -12.098 -24.804 1.00 72.54 H new ATOM 0 HA ARG A 69 -8.007 -13.925 -23.550 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -8.655 -11.643 -24.402 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -8.238 -12.154 -26.026 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -9.957 -14.016 -25.788 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -10.447 -13.288 -24.271 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -10.944 -11.150 -25.501 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -10.544 -11.955 -27.006 1.00 63.15 H new ATOM 0 HE ARG A 69 -12.983 -12.304 -25.406 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -10.886 -13.755 -27.866 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -12.185 -14.739 -28.550 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -14.627 -13.594 -26.290 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -14.286 -14.648 -27.665 1.00 11.13 H new ATOM 1056 N ASP A 70 -8.232 -15.756 -25.256 1.00 3.11 N ATOM 1057 CA ASP A 70 -8.303 -16.945 -26.133 1.00 55.45 C ATOM 1058 C ASP A 70 -6.944 -17.324 -26.726 1.00 61.12 C ATOM 1059 O ASP A 70 -6.851 -17.818 -27.846 1.00 62.15 O ATOM 1060 CB ASP A 70 -9.358 -16.749 -27.244 1.00 35.03 C ATOM 1061 CG ASP A 70 -8.985 -15.698 -28.287 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -9.253 -14.498 -28.061 1.00 32.01 O ATOM 1063 OD2 ASP A 70 -8.454 -16.070 -29.356 1.00 72.12 O ATOM 0 H ASP A 70 -8.852 -15.821 -24.448 1.00 3.11 H new ATOM 0 HA ASP A 70 -8.612 -17.780 -25.505 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -9.520 -17.702 -27.748 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -10.305 -16.467 -26.784 1.00 35.03 H new ATOM 1068 N LYS A 71 -5.901 -17.158 -25.922 1.00 32.23 N ATOM 1069 CA LYS A 71 -4.525 -17.373 -26.365 1.00 5.13 C ATOM 1070 C LYS A 71 -4.317 -18.787 -26.925 1.00 53.24 C ATOM 1071 O LYS A 71 -3.472 -19.002 -27.794 1.00 70.21 O ATOM 1072 CB LYS A 71 -3.567 -17.124 -25.193 1.00 1.23 C ATOM 1073 CG LYS A 71 -2.080 -17.096 -25.579 1.00 12.31 C ATOM 1074 CD LYS A 71 -1.564 -15.671 -25.807 1.00 64.40 C ATOM 1075 CE LYS A 71 -2.226 -14.970 -26.993 1.00 71.42 C ATOM 1076 NZ LYS A 71 -1.786 -15.533 -28.295 1.00 55.15 N ATOM 0 H LYS A 71 -5.982 -16.871 -24.947 1.00 32.23 H new ATOM 0 HA LYS A 71 -4.316 -16.670 -27.172 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -3.826 -16.174 -24.725 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -3.720 -17.901 -24.444 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -1.494 -17.571 -24.792 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -1.931 -17.683 -26.485 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -1.733 -15.082 -24.905 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -0.487 -15.704 -25.969 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -3.309 -15.060 -26.908 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -1.991 -13.906 -26.961 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -2.260 -15.027 -29.070 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -0.756 -15.424 -28.390 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -2.033 -16.542 -28.338 1.00 55.15 H new ATOM 1090 N LEU A 72 -5.098 -19.746 -26.429 1.00 31.23 N ATOM 1091 CA LEU A 72 -4.937 -21.148 -26.825 1.00 75.41 C ATOM 1092 C LEU A 72 -5.760 -21.468 -28.080 1.00 62.01 C ATOM 1093 O LEU A 72 -5.697 -22.578 -28.613 1.00 24.31 O ATOM 1094 CB LEU A 72 -5.343 -22.074 -25.666 1.00 44.43 C ATOM 1095 CG LEU A 72 -4.999 -23.566 -25.854 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -3.491 -23.758 -25.992 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -5.550 -24.402 -24.700 1.00 22.35 C ATOM 0 H LEU A 72 -5.846 -19.581 -25.755 1.00 31.23 H new ATOM 0 HA LEU A 72 -3.887 -21.316 -27.063 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -4.860 -21.720 -24.755 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -6.418 -21.984 -25.512 1.00 44.43 H new ATOM 0 HG LEU A 72 -5.472 -23.910 -26.774 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -3.270 -24.817 -26.124 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -3.131 -23.202 -26.858 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -2.994 -23.392 -25.093 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -5.294 -25.450 -24.856 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -5.115 -24.058 -23.762 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -6.634 -24.295 -24.658 1.00 22.35 H new ATOM 1109 N ALA A 73 -6.515 -20.482 -28.557 1.00 21.05 N ATOM 1110 CA ALA A 73 -7.363 -20.654 -29.734 1.00 32.42 C ATOM 1111 C ALA A 73 -6.607 -20.288 -31.010 1.00 24.44 C ATOM 1112 O ALA A 73 -7.202 -20.170 -32.082 1.00 3.22 O ATOM 1113 CB ALA A 73 -8.635 -19.817 -29.601 1.00 13.24 C ATOM 0 H ALA A 73 -6.557 -19.550 -28.144 1.00 21.05 H new ATOM 0 HA ALA A 73 -7.645 -21.705 -29.801 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -9.256 -19.956 -30.486 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -9.188 -20.133 -28.716 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -8.369 -18.764 -29.506 1.00 13.24 H new ATOM 1119 N THR A 74 -5.290 -20.120 -30.889 1.00 10.11 N ATOM 1120 CA THR A 74 -4.449 -19.798 -32.032 1.00 74.24 C ATOM 1121 C THR A 74 -4.353 -20.998 -32.983 1.00 61.13 C ATOM 1122 O THR A 74 -3.365 -21.738 -32.983 1.00 15.44 O ATOM 1123 CB THR A 74 -3.033 -19.367 -31.578 1.00 41.53 C ATOM 1124 OG1 THR A 74 -3.140 -18.349 -30.572 1.00 14.22 O ATOM 1125 CG2 THR A 74 -2.215 -18.836 -32.751 1.00 11.04 C ATOM 0 H THR A 74 -4.785 -20.203 -30.006 1.00 10.11 H new ATOM 0 HA THR A 74 -4.909 -18.963 -32.560 1.00 74.24 H new ATOM 0 HB THR A 74 -2.524 -20.242 -31.172 1.00 41.53 H new ATOM 0 HG1 THR A 74 -3.233 -18.768 -29.691 1.00 14.22 H new ATOM 0 HG21 THR A 74 -1.226 -18.541 -32.401 1.00 11.04 H new ATOM 0 HG22 THR A 74 -2.115 -19.615 -33.507 1.00 11.04 H new ATOM 0 HG23 THR A 74 -2.719 -17.972 -33.184 1.00 11.04 H new ATOM 1133 N GLY A 75 -5.412 -21.206 -33.758 1.00 52.32 N ATOM 1134 CA GLY A 75 -5.443 -22.287 -34.720 1.00 72.52 C ATOM 1135 C GLY A 75 -4.878 -21.859 -36.055 1.00 42.43 C ATOM 1136 O GLY A 75 -5.616 -21.411 -36.936 1.00 43.23 O ATOM 0 H GLY A 75 -6.258 -20.636 -33.734 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -4.872 -23.133 -34.337 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -6.470 -22.629 -34.851 1.00 72.52 H new ATOM 1140 N ARG A 76 -3.564 -21.969 -36.199 1.00 35.04 N ATOM 1141 CA ARG A 76 -2.900 -21.621 -37.451 1.00 4.50 C ATOM 1142 C ARG A 76 -3.046 -22.780 -38.437 1.00 12.31 C ATOM 1143 O ARG A 76 -2.118 -23.569 -38.637 1.00 73.20 O ATOM 1144 CB ARG A 76 -1.418 -21.292 -37.201 1.00 60.21 C ATOM 1145 CG ARG A 76 -0.706 -20.644 -38.388 1.00 70.14 C ATOM 1146 CD ARG A 76 0.759 -20.355 -38.078 1.00 54.54 C ATOM 1147 NE ARG A 76 1.386 -19.531 -39.112 1.00 2.04 N ATOM 1148 CZ ARG A 76 2.699 -19.463 -39.329 1.00 41.13 C ATOM 1149 NH1 ARG A 76 3.531 -20.233 -38.642 1.00 34.14 N ATOM 1150 NH2 ARG A 76 3.178 -18.629 -40.243 1.00 60.43 N ATOM 0 H ARG A 76 -2.936 -22.296 -35.465 1.00 35.04 H new ATOM 0 HA ARG A 76 -3.368 -20.733 -37.877 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -1.346 -20.625 -36.342 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -0.894 -22.210 -36.936 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -0.772 -21.302 -39.255 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -1.212 -19.716 -38.653 1.00 70.14 H new ATOM 0 HD2 ARG A 76 0.833 -19.848 -37.116 1.00 54.54 H new ATOM 0 HD3 ARG A 76 1.302 -21.295 -37.985 1.00 54.54 H new ATOM 0 HE ARG A 76 0.776 -18.970 -39.707 1.00 2.04 H new ATOM 0 HH11 ARG A 76 3.167 -20.881 -37.944 1.00 34.14 H new ATOM 0 HH12 ARG A 76 4.535 -20.177 -38.812 1.00 34.14 H new ATOM 0 HH21 ARG A 76 2.541 -18.040 -40.780 1.00 60.43 H new ATOM 0 HH22 ARG A 76 4.183 -18.577 -40.409 1.00 60.43 H new ATOM 1164 N GLY A 77 -4.233 -22.888 -39.028 1.00 43.11 N ATOM 1165 CA GLY A 77 -4.551 -24.006 -39.903 1.00 54.42 C ATOM 1166 C GLY A 77 -3.970 -23.860 -41.297 1.00 15.24 C ATOM 1167 O GLY A 77 -4.664 -24.070 -42.292 1.00 61.11 O ATOM 0 H GLY A 77 -4.989 -22.213 -38.915 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -4.177 -24.927 -39.455 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -5.634 -24.104 -39.977 1.00 54.42 H new ATOM 1171 N PHE A 78 -2.694 -23.497 -41.372 1.00 22.23 N ATOM 1172 CA PHE A 78 -1.994 -23.406 -42.647 1.00 73.44 C ATOM 1173 C PHE A 78 -1.612 -24.807 -43.114 1.00 12.01 C ATOM 1174 O PHE A 78 -1.812 -25.165 -44.277 1.00 2.23 O ATOM 1175 CB PHE A 78 -0.739 -22.527 -42.507 1.00 60.31 C ATOM 1176 CG PHE A 78 0.084 -22.427 -43.771 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -0.339 -21.636 -44.830 1.00 23.21 C ATOM 1178 CD2 PHE A 78 1.275 -23.131 -43.901 1.00 25.02 C ATOM 1179 CE1 PHE A 78 0.408 -21.550 -45.990 1.00 21.11 C ATOM 1180 CE2 PHE A 78 2.023 -23.046 -45.058 1.00 31.41 C ATOM 1181 CZ PHE A 78 1.590 -22.257 -46.105 1.00 42.13 C ATOM 0 H PHE A 78 -2.122 -23.260 -40.561 1.00 22.23 H new ATOM 0 HA PHE A 78 -2.650 -22.947 -43.386 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -1.041 -21.525 -42.202 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -0.114 -22.928 -41.709 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -1.262 -21.081 -44.747 1.00 23.21 H new ATOM 0 HD2 PHE A 78 1.619 -23.752 -43.087 1.00 25.02 H new ATOM 0 HE1 PHE A 78 0.068 -20.930 -46.806 1.00 21.11 H new ATOM 0 HE2 PHE A 78 2.948 -23.597 -45.144 1.00 31.41 H new ATOM 0 HZ PHE A 78 2.173 -22.192 -47.012 1.00 42.13 H new ATOM 1191 N ASP A 79 -1.084 -25.591 -42.170 1.00 52.44 N ATOM 1192 CA ASP A 79 -0.607 -26.949 -42.431 1.00 4.14 C ATOM 1193 C ASP A 79 0.443 -26.945 -43.543 1.00 34.43 C ATOM 1194 O ASP A 79 0.118 -26.960 -44.734 1.00 22.44 O ATOM 1195 CB ASP A 79 -1.771 -27.890 -42.780 1.00 50.33 C ATOM 1196 CG ASP A 79 -1.343 -29.350 -42.833 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -0.936 -29.892 -41.779 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -1.424 -29.970 -43.913 1.00 74.11 O ATOM 0 H ASP A 79 -0.976 -25.299 -41.199 1.00 52.44 H new ATOM 0 HA ASP A 79 -0.141 -27.323 -41.520 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -2.563 -27.773 -42.040 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -2.190 -27.602 -43.744 1.00 50.33 H new ATOM 1203 N GLN A 80 1.705 -26.908 -43.141 1.00 32.33 N ATOM 1204 CA GLN A 80 2.813 -26.764 -44.077 1.00 51.35 C ATOM 1205 C GLN A 80 3.249 -28.134 -44.603 1.00 60.12 C ATOM 1206 O GLN A 80 4.034 -28.822 -43.922 1.00 14.05 O ATOM 1207 CB GLN A 80 3.979 -26.035 -43.390 1.00 42.55 C ATOM 1208 CG GLN A 80 5.149 -25.709 -44.312 1.00 4.25 C ATOM 1209 CD GLN A 80 6.249 -24.949 -43.596 1.00 22.13 C ATOM 1210 OE1 GLN A 80 6.260 -23.719 -43.573 1.00 60.13 O ATOM 1211 NE2 GLN A 80 7.173 -25.678 -42.995 1.00 63.52 N ATOM 1212 OXT GLN A 80 2.794 -28.523 -45.696 1.00 0.00 O ATOM 0 H GLN A 80 1.990 -26.976 -42.164 1.00 32.33 H new ATOM 0 HA GLN A 80 2.489 -26.169 -44.931 1.00 51.35 H new ATOM 0 HB2 GLN A 80 3.606 -25.108 -42.955 1.00 42.55 H new ATOM 0 HB3 GLN A 80 4.342 -26.650 -42.567 1.00 42.55 H new ATOM 0 HG2 GLN A 80 5.556 -26.634 -44.721 1.00 4.25 H new ATOM 0 HG3 GLN A 80 4.791 -25.118 -45.155 1.00 4.25 H new ATOM 0 HE21 GLN A 80 7.127 -26.696 -43.038 1.00 63.52 H new ATOM 0 HE22 GLN A 80 7.932 -25.223 -42.488 1.00 63.52 H new TER 1221 GLN A 80