USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 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 14 ASN : amide:sc= -0.0864 K(o=-3.2,f=-4.5) USER MOD Set 1.2: A 44 HIS : no HE2:sc= -3.06! C(o=-3.2!,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.0436 (180deg=0) USER MOD Single : A 4 SER OG : rot 38:sc= 0.111 USER MOD Single : A 5 MET CE :methyl 154:sc= -0.449 (180deg=-2.07!) USER MOD Single : A 6 SER OG : rot -170:sc= -0.718 USER MOD Single : A 8 ASN : amide:sc= -0.696 K(o=-0.7,f=-0.11) USER MOD Single : A 16 SER OG : rot 180:sc= -0.347 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 26 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.17) USER MOD Single : A 27 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.44) USER MOD Single : A 28 SER OG : rot 180:sc= -0.146 USER MOD Single : A 52 CYS SG : rot -2:sc= -3.98! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.912 K(o=-0.91,f=-0.015) USER MOD Single : A 66 LYS NZ :NH3+ 157:sc= 1.02 (180deg=0.41) USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 159:sc= -0.0786 (180deg=-0.509) USER MOD Single : A 74 THR OG1 : rot 37:sc= 0.136 USER MOD Single : A 80 GLN : amide:sc= -2.58! C(o=-2.6!,f=-0.65!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.997 -9.484 -1.067 1.00 64.54 N ATOM 2 CA GLY A 1 11.435 -10.900 -1.060 1.00 63.31 C ATOM 3 C GLY A 1 11.953 -11.336 -2.416 1.00 45.41 C ATOM 4 O GLY A 1 12.485 -10.514 -3.166 1.00 52.30 O ATOM 0 H1 GLY A 1 11.273 -9.031 -0.173 1.00 64.54 H new ATOM 0 H2 GLY A 1 11.447 -8.985 -1.861 1.00 64.54 H new ATOM 0 H3 GLY A 1 9.963 -9.441 -1.172 1.00 64.54 H new ATOM 0 HA2 GLY A 1 12.216 -11.035 -0.312 1.00 63.31 H new ATOM 0 HA3 GLY A 1 10.600 -11.537 -0.768 1.00 63.31 H new ATOM 10 N PRO A 2 11.814 -12.629 -2.765 1.00 71.21 N ATOM 11 CA PRO A 2 12.224 -13.137 -4.079 1.00 1.44 C ATOM 12 C PRO A 2 11.396 -12.512 -5.203 1.00 72.44 C ATOM 13 O PRO A 2 10.294 -12.973 -5.515 1.00 54.42 O ATOM 14 CB PRO A 2 11.980 -14.653 -3.975 1.00 51.43 C ATOM 15 CG PRO A 2 10.968 -14.805 -2.888 1.00 23.45 C ATOM 16 CD PRO A 2 11.248 -13.695 -1.912 1.00 11.23 C ATOM 0 HA PRO A 2 13.259 -12.894 -4.320 1.00 1.44 H new ATOM 0 HB2 PRO A 2 11.612 -15.060 -4.917 1.00 51.43 H new ATOM 0 HB3 PRO A 2 12.900 -15.186 -3.736 1.00 51.43 H new ATOM 0 HG2 PRO A 2 9.955 -14.732 -3.283 1.00 23.45 H new ATOM 0 HG3 PRO A 2 11.053 -15.780 -2.407 1.00 23.45 H new ATOM 0 HD2 PRO A 2 10.341 -13.366 -1.405 1.00 11.23 H new ATOM 0 HD3 PRO A 2 11.950 -14.007 -1.138 1.00 11.23 H new ATOM 24 N GLY A 3 11.911 -11.423 -5.767 1.00 40.44 N ATOM 25 CA GLY A 3 11.223 -10.733 -6.842 1.00 52.53 C ATOM 26 C GLY A 3 11.076 -11.596 -8.078 1.00 44.43 C ATOM 27 O GLY A 3 12.067 -11.928 -8.730 1.00 41.21 O ATOM 0 H GLY A 3 12.800 -11.004 -5.495 1.00 40.44 H new ATOM 0 HA2 GLY A 3 10.236 -10.423 -6.499 1.00 52.53 H new ATOM 0 HA3 GLY A 3 11.771 -9.826 -7.098 1.00 52.53 H new ATOM 31 N SER A 4 9.844 -11.984 -8.384 1.00 41.10 N ATOM 32 CA SER A 4 9.557 -12.773 -9.573 1.00 64.44 C ATOM 33 C SER A 4 9.856 -11.961 -10.833 1.00 54.20 C ATOM 34 O SER A 4 9.415 -10.817 -10.946 1.00 10.33 O ATOM 35 CB SER A 4 8.090 -13.207 -9.555 1.00 64.41 C ATOM 36 OG SER A 4 7.230 -12.087 -9.389 1.00 10.53 O ATOM 0 H SER A 4 9.023 -11.763 -7.820 1.00 41.10 H new ATOM 0 HA SER A 4 10.192 -13.659 -9.578 1.00 64.44 H new ATOM 0 HB2 SER A 4 7.848 -13.722 -10.485 1.00 64.41 H new ATOM 0 HB3 SER A 4 7.927 -13.918 -8.745 1.00 64.41 H new ATOM 0 HG SER A 4 7.587 -11.324 -9.889 1.00 10.53 H new ATOM 42 N MET A 5 10.608 -12.554 -11.760 1.00 31.34 N ATOM 43 CA MET A 5 10.949 -11.895 -13.023 1.00 4.33 C ATOM 44 C MET A 5 9.677 -11.436 -13.726 1.00 34.52 C ATOM 45 O MET A 5 9.543 -10.275 -14.112 1.00 40.22 O ATOM 46 CB MET A 5 11.725 -12.856 -13.935 1.00 72.43 C ATOM 47 CG MET A 5 12.371 -12.177 -15.138 1.00 13.45 C ATOM 48 SD MET A 5 13.701 -11.053 -14.659 1.00 24.43 S ATOM 49 CE MET A 5 14.715 -12.160 -13.684 1.00 72.00 C ATOM 0 H MET A 5 10.994 -13.493 -11.660 1.00 31.34 H new ATOM 0 HA MET A 5 11.576 -11.030 -12.807 1.00 4.33 H new ATOM 0 HB2 MET A 5 12.500 -13.351 -13.350 1.00 72.43 H new ATOM 0 HB3 MET A 5 11.047 -13.633 -14.289 1.00 72.43 H new ATOM 0 HG2 MET A 5 12.766 -12.937 -15.812 1.00 13.45 H new ATOM 0 HG3 MET A 5 11.612 -11.623 -15.691 1.00 13.45 H new ATOM 0 HE1 MET A 5 15.748 -11.813 -13.697 1.00 72.00 H new ATOM 0 HE2 MET A 5 14.351 -12.177 -12.657 1.00 72.00 H new ATOM 0 HE3 MET A 5 14.664 -13.165 -14.104 1.00 72.00 H new ATOM 59 N SER A 6 8.748 -12.373 -13.878 1.00 74.20 N ATOM 60 CA SER A 6 7.437 -12.085 -14.445 1.00 0.11 C ATOM 61 C SER A 6 6.478 -13.241 -14.179 1.00 25.10 C ATOM 62 O SER A 6 6.891 -14.398 -14.064 1.00 15.20 O ATOM 63 CB SER A 6 7.536 -11.832 -15.952 1.00 43.50 C ATOM 64 OG SER A 6 6.292 -11.416 -16.491 1.00 53.04 O ATOM 0 H SER A 6 8.882 -13.349 -13.613 1.00 74.20 H new ATOM 0 HA SER A 6 7.054 -11.184 -13.965 1.00 0.11 H new ATOM 0 HB2 SER A 6 8.291 -11.070 -16.145 1.00 43.50 H new ATOM 0 HB3 SER A 6 7.866 -12.742 -16.454 1.00 43.50 H new ATOM 0 HG SER A 6 6.344 -11.415 -17.470 1.00 53.04 H new ATOM 70 N ILE A 7 5.204 -12.902 -14.062 1.00 31.23 N ATOM 71 CA ILE A 7 4.131 -13.867 -13.875 1.00 15.14 C ATOM 72 C ILE A 7 2.900 -13.401 -14.655 1.00 55.21 C ATOM 73 O ILE A 7 2.689 -12.193 -14.795 1.00 65.33 O ATOM 74 CB ILE A 7 3.756 -14.022 -12.375 1.00 4.15 C ATOM 75 CG1 ILE A 7 4.984 -14.437 -11.545 1.00 23.20 C ATOM 76 CG2 ILE A 7 2.629 -15.031 -12.214 1.00 34.01 C ATOM 77 CD1 ILE A 7 4.676 -14.770 -10.097 1.00 34.15 C ATOM 0 H ILE A 7 4.881 -11.935 -14.095 1.00 31.23 H new ATOM 0 HA ILE A 7 4.475 -14.835 -14.240 1.00 15.14 H new ATOM 0 HB ILE A 7 3.411 -13.057 -12.004 1.00 4.15 H new ATOM 0 HG12 ILE A 7 5.449 -15.304 -12.014 1.00 23.20 H new ATOM 0 HG13 ILE A 7 5.716 -13.630 -11.572 1.00 23.20 H new ATOM 0 HG21 ILE A 7 2.377 -15.129 -11.158 1.00 34.01 H new ATOM 0 HG22 ILE A 7 1.753 -14.690 -12.766 1.00 34.01 H new ATOM 0 HG23 ILE A 7 2.948 -15.998 -12.602 1.00 34.01 H new ATOM 0 HD11 ILE A 7 5.596 -15.052 -9.585 1.00 34.15 H new ATOM 0 HD12 ILE A 7 4.241 -13.899 -9.608 1.00 34.15 H new ATOM 0 HD13 ILE A 7 3.970 -15.599 -10.057 1.00 34.15 H new ATOM 89 N ASN A 8 2.113 -14.354 -15.163 1.00 54.12 N ATOM 90 CA ASN A 8 0.890 -14.062 -15.924 1.00 25.44 C ATOM 91 C ASN A 8 1.232 -13.558 -17.336 1.00 50.11 C ATOM 92 O ASN A 8 2.099 -12.699 -17.504 1.00 64.43 O ATOM 93 CB ASN A 8 -0.004 -13.045 -15.182 1.00 20.10 C ATOM 94 CG ASN A 8 -1.323 -12.783 -15.897 1.00 43.15 C ATOM 95 OD1 ASN A 8 -2.311 -13.483 -15.675 1.00 32.04 O ATOM 96 ND2 ASN A 8 -1.350 -11.773 -16.752 1.00 53.11 N ATOM 0 H ASN A 8 2.304 -15.351 -15.059 1.00 54.12 H new ATOM 0 HA ASN A 8 0.329 -14.992 -16.019 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -0.208 -13.414 -14.177 1.00 20.10 H new ATOM 0 HB3 ASN A 8 0.537 -12.105 -15.073 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -2.210 -11.552 -17.253 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -0.510 -11.215 -16.909 1.00 53.11 H new ATOM 103 N PRO A 9 0.576 -14.113 -18.375 1.00 24.42 N ATOM 104 CA PRO A 9 0.807 -13.709 -19.771 1.00 34.30 C ATOM 105 C PRO A 9 0.379 -12.264 -20.037 1.00 64.14 C ATOM 106 O PRO A 9 -0.399 -11.685 -19.276 1.00 71.44 O ATOM 107 CB PRO A 9 -0.059 -14.689 -20.587 1.00 41.24 C ATOM 108 CG PRO A 9 -0.378 -15.803 -19.643 1.00 53.41 C ATOM 109 CD PRO A 9 -0.429 -15.183 -18.279 1.00 62.43 C ATOM 0 HA PRO A 9 1.865 -13.745 -20.031 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -0.967 -14.206 -20.949 1.00 41.24 H new ATOM 0 HB3 PRO A 9 0.478 -15.055 -21.462 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -1.330 -16.269 -19.896 1.00 53.41 H new ATOM 0 HG3 PRO A 9 0.381 -16.584 -19.689 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -1.419 -14.790 -18.049 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -0.182 -15.902 -17.498 1.00 62.43 H new ATOM 117 N PHE A 10 0.900 -11.689 -21.119 1.00 40.41 N ATOM 118 CA PHE A 10 0.557 -10.326 -21.515 1.00 31.52 C ATOM 119 C PHE A 10 -0.894 -10.289 -21.997 1.00 72.32 C ATOM 120 O PHE A 10 -1.187 -10.606 -23.151 1.00 51.11 O ATOM 121 CB PHE A 10 1.522 -9.840 -22.610 1.00 3.43 C ATOM 122 CG PHE A 10 1.480 -8.351 -22.867 1.00 33.53 C ATOM 123 CD1 PHE A 10 1.763 -7.452 -21.848 1.00 51.51 C ATOM 124 CD2 PHE A 10 1.174 -7.852 -24.124 1.00 15.31 C ATOM 125 CE1 PHE A 10 1.739 -6.091 -22.077 1.00 54.40 C ATOM 126 CE2 PHE A 10 1.152 -6.491 -24.357 1.00 50.24 C ATOM 127 CZ PHE A 10 1.435 -5.609 -23.332 1.00 35.42 C ATOM 0 H PHE A 10 1.565 -12.150 -21.740 1.00 40.41 H new ATOM 0 HA PHE A 10 0.655 -9.656 -20.661 1.00 31.52 H new ATOM 0 HB2 PHE A 10 2.538 -10.119 -22.331 1.00 3.43 H new ATOM 0 HB3 PHE A 10 1.291 -10.363 -23.538 1.00 3.43 H new ATOM 0 HD1 PHE A 10 2.005 -7.822 -20.863 1.00 51.51 H new ATOM 0 HD2 PHE A 10 0.950 -8.535 -24.930 1.00 15.31 H new ATOM 0 HE1 PHE A 10 1.958 -5.404 -21.273 1.00 54.40 H new ATOM 0 HE2 PHE A 10 0.913 -6.116 -25.341 1.00 50.24 H new ATOM 0 HZ PHE A 10 1.418 -4.545 -23.514 1.00 35.42 H new ATOM 137 N ASP A 11 -1.796 -9.930 -21.093 1.00 1.54 N ATOM 138 CA ASP A 11 -3.236 -10.031 -21.334 1.00 3.31 C ATOM 139 C ASP A 11 -3.875 -8.647 -21.447 1.00 75.40 C ATOM 140 O ASP A 11 -4.573 -8.192 -20.541 1.00 13.31 O ATOM 141 CB ASP A 11 -3.881 -10.852 -20.198 1.00 60.33 C ATOM 142 CG ASP A 11 -5.394 -10.984 -20.316 1.00 70.42 C ATOM 143 OD1 ASP A 11 -5.867 -11.590 -21.298 1.00 15.20 O ATOM 144 OD2 ASP A 11 -6.114 -10.520 -19.401 1.00 63.02 O ATOM 0 H ASP A 11 -1.555 -9.561 -20.173 1.00 1.54 H new ATOM 0 HA ASP A 11 -3.406 -10.539 -22.283 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -3.439 -11.848 -20.186 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -3.640 -10.385 -19.243 1.00 60.33 H new ATOM 149 N ASP A 12 -3.598 -7.968 -22.562 1.00 41.24 N ATOM 150 CA ASP A 12 -4.162 -6.639 -22.846 1.00 42.44 C ATOM 151 C ASP A 12 -3.904 -5.658 -21.707 1.00 73.54 C ATOM 152 O ASP A 12 -4.671 -4.712 -21.504 1.00 63.12 O ATOM 153 CB ASP A 12 -5.669 -6.723 -23.140 1.00 5.22 C ATOM 154 CG ASP A 12 -5.959 -7.301 -24.515 1.00 31.25 C ATOM 155 OD1 ASP A 12 -6.082 -8.537 -24.634 1.00 43.52 O ATOM 156 OD2 ASP A 12 -6.048 -6.523 -25.492 1.00 14.35 O ATOM 0 H ASP A 12 -2.979 -8.319 -23.293 1.00 41.24 H new ATOM 0 HA ASP A 12 -3.654 -6.265 -23.735 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -6.151 -7.339 -22.381 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -6.107 -5.727 -23.068 1.00 5.22 H new ATOM 161 N ASP A 13 -2.807 -5.868 -20.987 1.00 11.11 N ATOM 162 CA ASP A 13 -2.424 -4.990 -19.882 1.00 23.12 C ATOM 163 C ASP A 13 -2.247 -3.559 -20.378 1.00 30.54 C ATOM 164 O ASP A 13 -2.703 -2.606 -19.744 1.00 12.41 O ATOM 165 CB ASP A 13 -1.126 -5.486 -19.229 1.00 74.53 C ATOM 166 CG ASP A 13 -1.248 -6.913 -18.714 1.00 12.31 C ATOM 167 OD1 ASP A 13 -1.674 -7.099 -17.555 1.00 60.13 O ATOM 168 OD2 ASP A 13 -0.942 -7.852 -19.478 1.00 73.14 O ATOM 0 H ASP A 13 -2.163 -6.642 -21.149 1.00 11.11 H new ATOM 0 HA ASP A 13 -3.219 -5.007 -19.137 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -0.313 -5.432 -19.954 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -0.862 -4.825 -18.403 1.00 74.53 H new ATOM 173 N ASN A 14 -1.577 -3.425 -21.520 1.00 10.01 N ATOM 174 CA ASN A 14 -1.355 -2.129 -22.164 1.00 44.32 C ATOM 175 C ASN A 14 -2.386 -1.880 -23.268 1.00 62.12 C ATOM 176 O ASN A 14 -2.200 -0.994 -24.097 1.00 31.00 O ATOM 177 CB ASN A 14 0.072 -2.055 -22.742 1.00 31.51 C ATOM 178 CG ASN A 14 1.132 -1.777 -21.683 1.00 23.43 C ATOM 179 OD1 ASN A 14 0.959 -2.090 -20.504 1.00 1.41 O ATOM 180 ND2 ASN A 14 2.250 -1.198 -22.102 1.00 73.33 N ATOM 0 H ASN A 14 -1.171 -4.212 -22.027 1.00 10.01 H new ATOM 0 HA ASN A 14 -1.471 -1.352 -21.408 1.00 44.32 H new ATOM 0 HB2 ASN A 14 0.304 -2.995 -23.242 1.00 31.51 H new ATOM 0 HB3 ASN A 14 0.110 -1.273 -23.500 1.00 31.51 H new ATOM 0 HD21 ASN A 14 3.000 -0.999 -21.440 1.00 73.33 H new ATOM 0 HD22 ASN A 14 2.359 -0.952 -23.086 1.00 73.33 H new ATOM 187 N GLY A 15 -3.470 -2.660 -23.273 1.00 55.21 N ATOM 188 CA GLY A 15 -4.472 -2.563 -24.332 1.00 55.10 C ATOM 189 C GLY A 15 -5.022 -1.156 -24.512 1.00 5.11 C ATOM 190 O GLY A 15 -5.135 -0.659 -25.634 1.00 2.02 O ATOM 0 H GLY A 15 -3.674 -3.360 -22.560 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -4.031 -2.896 -25.272 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -5.295 -3.242 -24.107 1.00 55.10 H new ATOM 194 N SER A 16 -5.371 -0.524 -23.405 1.00 4.14 N ATOM 195 CA SER A 16 -5.893 0.842 -23.402 1.00 63.44 C ATOM 196 C SER A 16 -5.285 1.574 -22.216 1.00 71.32 C ATOM 197 O SER A 16 -5.983 2.060 -21.322 1.00 2.12 O ATOM 198 CB SER A 16 -7.420 0.807 -23.314 1.00 1.03 C ATOM 199 OG SER A 16 -7.964 0.031 -24.374 1.00 70.32 O ATOM 0 H SER A 16 -5.302 -0.941 -22.477 1.00 4.14 H new ATOM 0 HA SER A 16 -5.628 1.365 -24.321 1.00 63.44 H new ATOM 0 HB2 SER A 16 -7.725 0.388 -22.355 1.00 1.03 H new ATOM 0 HB3 SER A 16 -7.816 1.822 -23.358 1.00 1.03 H new ATOM 0 HG SER A 16 -8.941 0.018 -24.302 1.00 70.32 H new ATOM 205 N PHE A 17 -3.960 1.617 -22.219 1.00 33.31 N ATOM 206 CA PHE A 17 -3.211 1.813 -20.970 1.00 3.42 C ATOM 207 C PHE A 17 -1.757 2.265 -21.168 1.00 71.15 C ATOM 208 O PHE A 17 -0.937 1.479 -21.640 1.00 4.05 O ATOM 209 CB PHE A 17 -3.210 0.521 -20.126 1.00 25.25 C ATOM 210 CG PHE A 17 -4.534 0.176 -19.479 1.00 23.11 C ATOM 211 CD1 PHE A 17 -5.019 0.932 -18.418 1.00 3.25 C ATOM 212 CD2 PHE A 17 -5.287 -0.906 -19.924 1.00 74.21 C ATOM 213 CE1 PHE A 17 -6.223 0.614 -17.818 1.00 25.21 C ATOM 214 CE2 PHE A 17 -6.491 -1.223 -19.325 1.00 70.22 C ATOM 215 CZ PHE A 17 -6.960 -0.463 -18.272 1.00 45.40 C ATOM 0 H PHE A 17 -3.382 1.521 -23.054 1.00 33.31 H new ATOM 0 HA PHE A 17 -3.733 2.619 -20.455 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -2.907 -0.310 -20.763 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.455 0.616 -19.345 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -4.449 1.776 -18.059 1.00 3.25 H new ATOM 0 HD2 PHE A 17 -4.926 -1.505 -20.747 1.00 74.21 H new ATOM 0 HE1 PHE A 17 -6.588 1.208 -16.993 1.00 25.21 H new ATOM 0 HE2 PHE A 17 -7.066 -2.066 -19.681 1.00 70.22 H new ATOM 0 HZ PHE A 17 -7.901 -0.710 -17.804 1.00 45.40 H new ATOM 225 N PHE A 18 -1.435 3.507 -20.827 1.00 10.51 N ATOM 226 CA PHE A 18 -0.076 3.834 -20.370 1.00 50.04 C ATOM 227 C PHE A 18 -0.163 5.031 -19.422 1.00 10.14 C ATOM 228 O PHE A 18 -0.801 6.032 -19.757 1.00 64.22 O ATOM 229 CB PHE A 18 0.910 4.048 -21.550 1.00 0.03 C ATOM 230 CG PHE A 18 1.150 5.472 -21.973 1.00 53.34 C ATOM 231 CD1 PHE A 18 2.135 6.229 -21.355 1.00 52.42 C ATOM 232 CD2 PHE A 18 0.426 6.040 -23.003 1.00 61.11 C ATOM 233 CE1 PHE A 18 2.381 7.523 -21.752 1.00 42.02 C ATOM 234 CE2 PHE A 18 0.672 7.336 -23.408 1.00 74.44 C ATOM 235 CZ PHE A 18 1.650 8.077 -22.782 1.00 11.54 C ATOM 0 H PHE A 18 -2.079 4.297 -20.855 1.00 10.51 H new ATOM 0 HA PHE A 18 0.343 2.989 -19.824 1.00 50.04 H new ATOM 0 HB2 PHE A 18 1.869 3.606 -21.278 1.00 0.03 H new ATOM 0 HB3 PHE A 18 0.537 3.494 -22.411 1.00 0.03 H new ATOM 0 HD1 PHE A 18 2.715 5.797 -20.553 1.00 52.42 H new ATOM 0 HD2 PHE A 18 -0.342 5.463 -23.497 1.00 61.11 H new ATOM 0 HE1 PHE A 18 3.145 8.104 -21.258 1.00 42.02 H new ATOM 0 HE2 PHE A 18 0.099 7.769 -24.215 1.00 74.44 H new ATOM 0 HZ PHE A 18 1.844 9.091 -23.098 1.00 11.54 H new ATOM 245 N VAL A 19 0.470 4.940 -18.243 1.00 64.01 N ATOM 246 CA VAL A 19 0.258 5.933 -17.170 1.00 61.04 C ATOM 247 C VAL A 19 1.421 5.962 -16.171 1.00 43.40 C ATOM 248 O VAL A 19 1.905 4.905 -15.712 1.00 52.44 O ATOM 249 CB VAL A 19 -1.042 5.646 -16.353 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.240 6.684 -15.246 1.00 65.33 C ATOM 251 CG2 VAL A 19 -2.280 5.582 -17.243 1.00 2.33 C ATOM 0 H VAL A 19 1.128 4.197 -18.006 1.00 64.01 H new ATOM 0 HA VAL A 19 0.178 6.891 -17.683 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.912 4.665 -15.895 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.153 6.458 -14.695 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.389 6.657 -14.566 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -1.320 7.677 -15.688 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -3.159 5.380 -16.630 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -2.407 6.534 -17.758 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -2.159 4.786 -17.977 1.00 2.33 H new ATOM 261 N LEU A 20 1.828 7.179 -15.799 1.00 71.33 N ATOM 262 CA LEU A 20 2.842 7.387 -14.775 1.00 52.24 C ATOM 263 C LEU A 20 2.169 7.795 -13.466 1.00 2.41 C ATOM 264 O LEU A 20 1.434 8.784 -13.418 1.00 61.32 O ATOM 265 CB LEU A 20 3.828 8.486 -15.208 1.00 34.34 C ATOM 266 CG LEU A 20 4.895 8.864 -14.165 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.815 7.680 -13.878 1.00 45.00 C ATOM 268 CD2 LEU A 20 5.697 10.084 -14.624 1.00 31.20 C ATOM 0 H LEU A 20 1.462 8.042 -16.201 1.00 71.33 H new ATOM 0 HA LEU A 20 3.392 6.457 -14.633 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.333 8.160 -16.117 1.00 34.34 H new ATOM 0 HB3 LEU A 20 3.260 9.381 -15.462 1.00 34.34 H new ATOM 0 HG LEU A 20 4.386 9.127 -13.238 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.561 7.970 -13.138 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.227 6.847 -13.493 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.315 7.376 -14.798 1.00 45.00 H new ATOM 0 HD21 LEU A 20 6.445 10.332 -13.871 1.00 31.20 H new ATOM 0 HD22 LEU A 20 6.193 9.859 -15.568 1.00 31.20 H new ATOM 0 HD23 LEU A 20 5.025 10.931 -14.761 1.00 31.20 H new ATOM 280 N VAL A 21 2.417 7.034 -12.415 1.00 52.14 N ATOM 281 CA VAL A 21 1.943 7.377 -11.081 1.00 71.23 C ATOM 282 C VAL A 21 3.067 8.066 -10.309 1.00 12.22 C ATOM 283 O VAL A 21 4.174 7.529 -10.179 1.00 72.33 O ATOM 284 CB VAL A 21 1.472 6.119 -10.307 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.964 6.494 -8.914 1.00 73.44 C ATOM 286 CG2 VAL A 21 0.397 5.366 -11.096 1.00 14.24 C ATOM 0 H VAL A 21 2.949 6.165 -12.459 1.00 52.14 H new ATOM 0 HA VAL A 21 1.090 8.048 -11.181 1.00 71.23 H new ATOM 0 HB VAL A 21 2.329 5.456 -10.185 1.00 12.52 H new ATOM 0 HG11 VAL A 21 0.639 5.595 -8.391 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.766 6.972 -8.351 1.00 73.44 H new ATOM 0 HG13 VAL A 21 0.125 7.183 -9.006 1.00 73.44 H new ATOM 0 HG21 VAL A 21 0.082 4.487 -10.534 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.460 6.020 -11.258 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.803 5.055 -12.058 1.00 14.24 H new ATOM 296 N ASN A 22 2.770 9.248 -9.792 1.00 5.53 N ATOM 297 CA ASN A 22 3.756 10.065 -9.096 1.00 74.14 C ATOM 298 C ASN A 22 3.645 9.858 -7.593 1.00 13.30 C ATOM 299 O ASN A 22 2.543 9.787 -7.047 1.00 42.42 O ATOM 300 CB ASN A 22 3.551 11.551 -9.429 1.00 33.32 C ATOM 301 CG ASN A 22 3.635 11.842 -10.922 1.00 72.42 C ATOM 302 OD1 ASN A 22 2.639 11.760 -11.639 1.00 41.10 O ATOM 303 ND2 ASN A 22 4.820 12.198 -11.397 1.00 14.32 N ATOM 0 H ASN A 22 1.842 9.668 -9.842 1.00 5.53 H new ATOM 0 HA ASN A 22 4.749 9.761 -9.426 1.00 74.14 H new ATOM 0 HB2 ASN A 22 2.578 11.871 -9.056 1.00 33.32 H new ATOM 0 HB3 ASN A 22 4.303 12.142 -8.906 1.00 33.32 H new ATOM 0 HD21 ASN A 22 4.928 12.415 -12.388 1.00 14.32 H new ATOM 0 HD22 ASN A 22 5.624 12.255 -10.772 1.00 14.32 H new ATOM 310 N ASP A 23 4.793 9.780 -6.925 1.00 70.14 N ATOM 311 CA ASP A 23 4.836 9.589 -5.474 1.00 12.10 C ATOM 312 C ASP A 23 4.207 10.783 -4.748 1.00 71.41 C ATOM 313 O ASP A 23 3.855 10.698 -3.570 1.00 71.12 O ATOM 314 CB ASP A 23 6.285 9.387 -5.013 1.00 34.54 C ATOM 315 CG ASP A 23 6.398 9.128 -3.518 1.00 42.35 C ATOM 316 OD1 ASP A 23 6.041 8.016 -3.074 1.00 1.54 O ATOM 317 OD2 ASP A 23 6.850 10.030 -2.784 1.00 24.14 O ATOM 0 H ASP A 23 5.711 9.846 -7.366 1.00 70.14 H new ATOM 0 HA ASP A 23 4.258 8.699 -5.226 1.00 12.10 H new ATOM 0 HB2 ASP A 23 6.721 8.548 -5.556 1.00 34.54 H new ATOM 0 HB3 ASP A 23 6.869 10.271 -5.269 1.00 34.54 H new ATOM 322 N GLU A 24 4.044 11.888 -5.473 1.00 62.34 N ATOM 323 CA GLU A 24 3.438 13.104 -4.930 1.00 11.53 C ATOM 324 C GLU A 24 1.907 13.050 -5.030 1.00 61.53 C ATOM 325 O GLU A 24 1.246 14.088 -5.099 1.00 72.22 O ATOM 326 CB GLU A 24 3.984 14.330 -5.680 1.00 73.32 C ATOM 327 CG GLU A 24 5.504 14.456 -5.612 1.00 13.22 C ATOM 328 CD GLU A 24 6.027 15.697 -6.320 1.00 2.14 C ATOM 329 OE1 GLU A 24 6.008 16.786 -5.710 1.00 51.24 O ATOM 330 OE2 GLU A 24 6.473 15.588 -7.481 1.00 11.22 O ATOM 0 H GLU A 24 4.327 11.967 -6.450 1.00 62.34 H new ATOM 0 HA GLU A 24 3.698 13.183 -3.874 1.00 11.53 H new ATOM 0 HB2 GLU A 24 3.678 14.273 -6.725 1.00 73.32 H new ATOM 0 HB3 GLU A 24 3.533 15.231 -5.264 1.00 73.32 H new ATOM 0 HG2 GLU A 24 5.815 14.481 -4.568 1.00 13.22 H new ATOM 0 HG3 GLU A 24 5.957 13.571 -6.058 1.00 13.22 H new ATOM 337 N GLU A 25 1.361 11.827 -5.037 1.00 62.13 N ATOM 338 CA GLU A 25 -0.093 11.590 -5.068 1.00 0.22 C ATOM 339 C GLU A 25 -0.703 11.977 -6.416 1.00 61.13 C ATOM 340 O GLU A 25 -1.922 11.940 -6.589 1.00 70.13 O ATOM 341 CB GLU A 25 -0.809 12.346 -3.935 1.00 4.34 C ATOM 342 CG GLU A 25 -0.329 11.973 -2.538 1.00 45.50 C ATOM 343 CD GLU A 25 -1.052 12.750 -1.454 1.00 73.30 C ATOM 344 OE1 GLU A 25 -0.673 13.913 -1.196 1.00 62.44 O ATOM 345 OE2 GLU A 25 -2.011 12.207 -0.857 1.00 32.12 O ATOM 0 H GLU A 25 1.914 10.970 -5.021 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.238 10.520 -4.921 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -0.669 13.417 -4.082 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -1.880 12.153 -4.003 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -0.479 10.905 -2.378 1.00 45.50 H new ATOM 0 HG3 GLU A 25 0.742 12.159 -2.463 1.00 45.50 H new ATOM 352 N GLN A 26 0.146 12.331 -7.372 1.00 10.22 N ATOM 353 CA GLN A 26 -0.316 12.709 -8.701 1.00 54.01 C ATOM 354 C GLN A 26 -0.370 11.489 -9.613 1.00 30.13 C ATOM 355 O GLN A 26 0.349 10.516 -9.408 1.00 21.03 O ATOM 356 CB GLN A 26 0.599 13.789 -9.302 1.00 31.13 C ATOM 357 CG GLN A 26 0.459 15.158 -8.644 1.00 12.34 C ATOM 358 CD GLN A 26 -0.889 15.806 -8.924 1.00 24.51 C ATOM 359 OE1 GLN A 26 -1.854 15.620 -8.182 1.00 3.34 O ATOM 360 NE2 GLN A 26 -0.966 16.576 -10.002 1.00 4.44 N ATOM 0 H GLN A 26 1.158 12.364 -7.252 1.00 10.22 H new ATOM 0 HA GLN A 26 -1.322 13.119 -8.613 1.00 54.01 H new ATOM 0 HB2 GLN A 26 1.635 13.461 -9.217 1.00 31.13 H new ATOM 0 HB3 GLN A 26 0.381 13.885 -10.366 1.00 31.13 H new ATOM 0 HG2 GLN A 26 0.592 15.055 -7.567 1.00 12.34 H new ATOM 0 HG3 GLN A 26 1.254 15.812 -9.002 1.00 12.34 H new ATOM 0 HE21 GLN A 26 -0.146 16.708 -10.594 1.00 4.44 H new ATOM 0 HE22 GLN A 26 -1.845 17.036 -10.238 1.00 4.44 H new ATOM 369 N HIS A 27 -1.235 11.551 -10.614 1.00 62.23 N ATOM 370 CA HIS A 27 -1.353 10.499 -11.618 1.00 32.31 C ATOM 371 C HIS A 27 -1.390 11.150 -12.994 1.00 32.43 C ATOM 372 O HIS A 27 -2.365 11.815 -13.348 1.00 70.43 O ATOM 373 CB HIS A 27 -2.608 9.641 -11.375 1.00 4.31 C ATOM 374 CG HIS A 27 -3.897 10.415 -11.396 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.786 10.375 -12.449 1.00 63.43 N ATOM 376 CD2 HIS A 27 -4.448 11.247 -10.478 1.00 74.11 C ATOM 377 CE1 HIS A 27 -5.820 11.148 -12.180 1.00 60.13 C ATOM 378 NE2 HIS A 27 -5.641 11.689 -10.991 1.00 72.25 N ATOM 0 H HIS A 27 -1.876 12.332 -10.755 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.495 9.830 -11.553 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.653 8.860 -12.134 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.512 9.142 -10.411 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -4.026 11.513 -9.520 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -6.671 11.311 -12.825 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -6.284 12.331 -10.528 1.00 72.25 H new ATOM 387 N SER A 28 -0.316 10.985 -13.753 1.00 43.31 N ATOM 388 CA SER A 28 -0.143 11.725 -14.995 1.00 70.43 C ATOM 389 C SER A 28 0.180 10.799 -16.171 1.00 3.04 C ATOM 390 O SER A 28 0.322 9.581 -16.020 1.00 45.11 O ATOM 391 CB SER A 28 0.970 12.774 -14.820 1.00 24.32 C ATOM 392 OG SER A 28 1.098 13.594 -15.971 1.00 33.21 O ATOM 0 H SER A 28 0.448 10.346 -13.531 1.00 43.31 H new ATOM 0 HA SER A 28 -1.085 12.224 -15.225 1.00 70.43 H new ATOM 0 HB2 SER A 28 0.752 13.396 -13.952 1.00 24.32 H new ATOM 0 HB3 SER A 28 1.917 12.272 -14.623 1.00 24.32 H new ATOM 0 HG SER A 28 1.811 14.250 -15.827 1.00 33.21 H new ATOM 398 N LEU A 29 0.291 11.411 -17.340 1.00 3.41 N ATOM 399 CA LEU A 29 0.612 10.729 -18.581 1.00 62.52 C ATOM 400 C LEU A 29 2.004 11.174 -19.019 1.00 23.32 C ATOM 401 O LEU A 29 2.197 12.315 -19.451 1.00 31.35 O ATOM 402 CB LEU A 29 -0.465 11.061 -19.639 1.00 32.03 C ATOM 403 CG LEU A 29 -0.318 10.381 -21.018 1.00 23.25 C ATOM 404 CD1 LEU A 29 -1.684 10.240 -21.692 1.00 5.44 C ATOM 405 CD2 LEU A 29 0.633 11.169 -21.922 1.00 25.14 C ATOM 0 H LEU A 29 0.157 12.416 -17.453 1.00 3.41 H new ATOM 0 HA LEU A 29 0.618 9.647 -18.451 1.00 62.52 H new ATOM 0 HB2 LEU A 29 -1.438 10.792 -19.229 1.00 32.03 H new ATOM 0 HB3 LEU A 29 -0.471 12.140 -19.791 1.00 32.03 H new ATOM 0 HG LEU A 29 0.104 9.389 -20.859 1.00 23.25 H new ATOM 0 HD11 LEU A 29 -1.563 9.759 -22.663 1.00 5.44 H new ATOM 0 HD12 LEU A 29 -2.338 9.633 -21.066 1.00 5.44 H new ATOM 0 HD13 LEU A 29 -2.126 11.227 -21.829 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.718 10.667 -22.886 1.00 25.14 H new ATOM 0 HD22 LEU A 29 0.243 12.176 -22.070 1.00 25.14 H new ATOM 0 HD23 LEU A 29 1.616 11.225 -21.455 1.00 25.14 H new ATOM 417 N TRP A 30 2.975 10.283 -18.868 1.00 23.42 N ATOM 418 CA TRP A 30 4.373 10.614 -19.126 1.00 41.14 C ATOM 419 C TRP A 30 4.669 10.632 -20.624 1.00 34.24 C ATOM 420 O TRP A 30 4.037 9.912 -21.397 1.00 3.43 O ATOM 421 CB TRP A 30 5.303 9.621 -18.407 1.00 13.11 C ATOM 422 CG TRP A 30 5.125 8.183 -18.817 1.00 12.31 C ATOM 423 CD1 TRP A 30 4.099 7.346 -18.474 1.00 71.00 C ATOM 424 CD2 TRP A 30 6.019 7.406 -19.625 1.00 3.12 C ATOM 425 NE1 TRP A 30 4.297 6.104 -19.025 1.00 33.35 N ATOM 426 CE2 TRP A 30 5.465 6.117 -19.737 1.00 25.44 C ATOM 427 CE3 TRP A 30 7.228 7.678 -20.272 1.00 53.21 C ATOM 428 CZ2 TRP A 30 6.081 5.104 -20.462 1.00 51.20 C ATOM 429 CZ3 TRP A 30 7.840 6.668 -20.990 1.00 55.34 C ATOM 430 CH2 TRP A 30 7.264 5.396 -21.084 1.00 73.31 C ATOM 0 H TRP A 30 2.821 9.321 -18.567 1.00 23.42 H new ATOM 0 HA TRP A 30 4.559 11.614 -18.734 1.00 41.14 H new ATOM 0 HB2 TRP A 30 6.337 9.912 -18.593 1.00 13.11 H new ATOM 0 HB3 TRP A 30 5.137 9.702 -17.333 1.00 13.11 H new ATOM 0 HD1 TRP A 30 3.255 7.622 -17.859 1.00 71.00 H new ATOM 0 HE1 TRP A 30 3.675 5.303 -18.920 1.00 33.35 H new ATOM 0 HE3 TRP A 30 7.675 8.659 -20.212 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 5.641 4.120 -20.532 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 8.779 6.864 -21.487 1.00 55.34 H new ATOM 0 HH2 TRP A 30 7.763 4.630 -21.659 1.00 73.31 H new ATOM 441 N PRO A 31 5.626 11.473 -21.063 1.00 52.54 N ATOM 442 CA PRO A 31 6.046 11.507 -22.463 1.00 35.33 C ATOM 443 C PRO A 31 6.770 10.219 -22.851 1.00 43.41 C ATOM 444 O PRO A 31 7.931 10.012 -22.490 1.00 35.31 O ATOM 445 CB PRO A 31 6.988 12.722 -22.534 1.00 30.22 C ATOM 446 CG PRO A 31 7.493 12.889 -21.141 1.00 33.12 C ATOM 447 CD PRO A 31 6.369 12.452 -20.237 1.00 24.30 C ATOM 0 HA PRO A 31 5.207 11.588 -23.154 1.00 35.33 H new ATOM 0 HB2 PRO A 31 7.806 12.549 -23.234 1.00 30.22 H new ATOM 0 HB3 PRO A 31 6.460 13.613 -22.874 1.00 30.22 H new ATOM 0 HG2 PRO A 31 8.385 12.285 -20.974 1.00 33.12 H new ATOM 0 HG3 PRO A 31 7.769 13.926 -20.948 1.00 33.12 H new ATOM 0 HD2 PRO A 31 6.744 12.000 -19.319 1.00 24.30 H new ATOM 0 HD3 PRO A 31 5.739 13.292 -19.945 1.00 24.30 H new ATOM 455 N ALA A 32 6.075 9.351 -23.585 1.00 64.13 N ATOM 456 CA ALA A 32 6.628 8.063 -24.007 1.00 5.22 C ATOM 457 C ALA A 32 7.834 8.243 -24.933 1.00 54.03 C ATOM 458 O ALA A 32 8.453 7.266 -25.361 1.00 51.42 O ATOM 459 CB ALA A 32 5.550 7.223 -24.685 1.00 31.45 C ATOM 0 H ALA A 32 5.120 9.518 -23.902 1.00 64.13 H new ATOM 0 HA ALA A 32 6.975 7.540 -23.116 1.00 5.22 H new ATOM 0 HB1 ALA A 32 5.974 6.268 -24.994 1.00 31.45 H new ATOM 0 HB2 ALA A 32 4.732 7.048 -23.986 1.00 31.45 H new ATOM 0 HB3 ALA A 32 5.173 7.753 -25.560 1.00 31.45 H new ATOM 465 N PHE A 33 8.156 9.496 -25.239 1.00 65.24 N ATOM 466 CA PHE A 33 9.284 9.828 -26.100 1.00 41.30 C ATOM 467 C PHE A 33 10.563 10.006 -25.276 1.00 64.43 C ATOM 468 O PHE A 33 11.631 10.278 -25.824 1.00 54.03 O ATOM 469 CB PHE A 33 8.982 11.121 -26.869 1.00 70.23 C ATOM 470 CG PHE A 33 7.632 11.127 -27.543 1.00 14.54 C ATOM 471 CD1 PHE A 33 7.476 10.635 -28.830 1.00 34.35 C ATOM 472 CD2 PHE A 33 6.516 11.628 -26.884 1.00 21.21 C ATOM 473 CE1 PHE A 33 6.237 10.641 -29.444 1.00 3.51 C ATOM 474 CE2 PHE A 33 5.277 11.636 -27.495 1.00 25.54 C ATOM 475 CZ PHE A 33 5.138 11.142 -28.776 1.00 72.43 C ATOM 0 H PHE A 33 7.642 10.308 -24.897 1.00 65.24 H new ATOM 0 HA PHE A 33 9.436 9.009 -26.803 1.00 41.30 H new ATOM 0 HB2 PHE A 33 9.038 11.964 -26.180 1.00 70.23 H new ATOM 0 HB3 PHE A 33 9.755 11.274 -27.623 1.00 70.23 H new ATOM 0 HD1 PHE A 33 8.332 10.243 -29.359 1.00 34.35 H new ATOM 0 HD2 PHE A 33 6.619 12.016 -25.881 1.00 21.21 H new ATOM 0 HE1 PHE A 33 6.129 10.254 -30.446 1.00 3.51 H new ATOM 0 HE2 PHE A 33 4.418 12.028 -26.971 1.00 25.54 H new ATOM 0 HZ PHE A 33 4.170 11.147 -29.255 1.00 72.43 H new ATOM 485 N ALA A 34 10.449 9.852 -23.956 1.00 11.31 N ATOM 486 CA ALA A 34 11.577 10.084 -23.054 1.00 4.15 C ATOM 487 C ALA A 34 11.729 8.952 -22.036 1.00 15.35 C ATOM 488 O ALA A 34 10.942 8.001 -22.019 1.00 1.33 O ATOM 489 CB ALA A 34 11.402 11.420 -22.339 1.00 42.14 C ATOM 0 H ALA A 34 9.588 9.568 -23.489 1.00 11.31 H new ATOM 0 HA ALA A 34 12.487 10.110 -23.653 1.00 4.15 H new ATOM 0 HB1 ALA A 34 12.245 11.587 -21.669 1.00 42.14 H new ATOM 0 HB2 ALA A 34 11.358 12.223 -23.074 1.00 42.14 H new ATOM 0 HB3 ALA A 34 10.477 11.406 -21.762 1.00 42.14 H new ATOM 495 N ASP A 35 12.760 9.064 -21.201 1.00 65.10 N ATOM 496 CA ASP A 35 13.045 8.084 -20.149 1.00 21.44 C ATOM 497 C ASP A 35 12.456 8.531 -18.807 1.00 35.34 C ATOM 498 O ASP A 35 12.487 9.717 -18.468 1.00 10.32 O ATOM 499 CB ASP A 35 14.560 7.863 -20.015 1.00 10.33 C ATOM 500 CG ASP A 35 15.310 9.126 -19.624 1.00 71.31 C ATOM 501 OD1 ASP A 35 15.555 9.977 -20.507 1.00 74.13 O ATOM 502 OD2 ASP A 35 15.659 9.278 -18.434 1.00 62.15 O ATOM 0 H ASP A 35 13.424 9.838 -21.233 1.00 65.10 H new ATOM 0 HA ASP A 35 12.576 7.142 -20.432 1.00 21.44 H new ATOM 0 HB2 ASP A 35 14.745 7.091 -19.268 1.00 10.33 H new ATOM 0 HB3 ASP A 35 14.953 7.491 -20.961 1.00 10.33 H new ATOM 507 N VAL A 36 11.904 7.578 -18.060 1.00 51.02 N ATOM 508 CA VAL A 36 11.300 7.853 -16.756 1.00 14.20 C ATOM 509 C VAL A 36 12.324 7.687 -15.630 1.00 74.22 C ATOM 510 O VAL A 36 12.944 6.625 -15.503 1.00 4.35 O ATOM 511 CB VAL A 36 10.098 6.911 -16.481 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.428 7.257 -15.152 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.092 6.965 -17.630 1.00 3.12 C ATOM 0 H VAL A 36 11.862 6.598 -18.338 1.00 51.02 H new ATOM 0 HA VAL A 36 10.949 8.885 -16.781 1.00 14.20 H new ATOM 0 HB VAL A 36 10.476 5.891 -16.411 1.00 52.15 H new ATOM 0 HG11 VAL A 36 8.588 6.583 -14.981 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.150 7.150 -14.342 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.067 8.285 -15.183 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.258 6.297 -17.415 1.00 3.12 H new ATOM 0 HG22 VAL A 36 8.721 7.984 -17.741 1.00 3.12 H new ATOM 0 HG23 VAL A 36 9.578 6.653 -18.554 1.00 3.12 H new ATOM 523 N PRO A 37 12.524 8.736 -14.809 1.00 42.20 N ATOM 524 CA PRO A 37 13.395 8.663 -13.630 1.00 21.34 C ATOM 525 C PRO A 37 12.806 7.756 -12.546 1.00 1.14 C ATOM 526 O PRO A 37 11.589 7.573 -12.471 1.00 71.23 O ATOM 527 CB PRO A 37 13.472 10.125 -13.140 1.00 33.33 C ATOM 528 CG PRO A 37 12.930 10.952 -14.260 1.00 74.14 C ATOM 529 CD PRO A 37 11.938 10.077 -14.969 1.00 3.15 C ATOM 0 HA PRO A 37 14.371 8.238 -13.863 1.00 21.34 H new ATOM 0 HB2 PRO A 37 12.888 10.265 -12.231 1.00 33.33 H new ATOM 0 HB3 PRO A 37 14.499 10.407 -12.906 1.00 33.33 H new ATOM 0 HG2 PRO A 37 12.454 11.857 -13.883 1.00 74.14 H new ATOM 0 HG3 PRO A 37 13.726 11.267 -14.935 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.946 10.143 -14.521 1.00 3.15 H new ATOM 0 HD3 PRO A 37 11.833 10.351 -16.019 1.00 3.15 H new ATOM 537 N ALA A 38 13.671 7.186 -11.714 1.00 5.25 N ATOM 538 CA ALA A 38 13.231 6.308 -10.638 1.00 34.34 C ATOM 539 C ALA A 38 12.618 7.119 -9.494 1.00 32.33 C ATOM 540 O ALA A 38 12.968 8.281 -9.283 1.00 13.31 O ATOM 541 CB ALA A 38 14.392 5.456 -10.141 1.00 11.05 C ATOM 0 H ALA A 38 14.681 7.317 -11.765 1.00 5.25 H new ATOM 0 HA ALA A 38 12.461 5.642 -11.027 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.048 4.805 -9.337 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.775 4.848 -10.961 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.185 6.104 -9.769 1.00 11.05 H new ATOM 547 N GLY A 39 11.704 6.497 -8.763 1.00 34.21 N ATOM 548 CA GLY A 39 10.968 7.192 -7.718 1.00 13.01 C ATOM 549 C GLY A 39 9.528 7.416 -8.125 1.00 60.32 C ATOM 550 O GLY A 39 8.617 7.362 -7.296 1.00 53.32 O ATOM 0 H GLY A 39 11.455 5.514 -8.874 1.00 34.21 H new ATOM 0 HA2 GLY A 39 11.003 6.611 -6.796 1.00 13.01 H new ATOM 0 HA3 GLY A 39 11.444 8.150 -7.509 1.00 13.01 H new ATOM 554 N TRP A 40 9.328 7.669 -9.414 1.00 51.51 N ATOM 555 CA TRP A 40 7.993 7.767 -9.991 1.00 73.43 C ATOM 556 C TRP A 40 7.636 6.405 -10.569 1.00 13.52 C ATOM 557 O TRP A 40 8.421 5.831 -11.324 1.00 74.51 O ATOM 558 CB TRP A 40 7.955 8.844 -11.089 1.00 45.14 C ATOM 559 CG TRP A 40 8.728 10.083 -10.738 1.00 44.13 C ATOM 560 CD1 TRP A 40 9.756 10.628 -11.450 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.558 10.912 -9.580 1.00 12.14 C ATOM 562 NE1 TRP A 40 10.226 11.750 -10.818 1.00 74.20 N ATOM 563 CE2 TRP A 40 9.508 11.946 -9.666 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.689 10.887 -8.483 1.00 32.41 C ATOM 565 CZ2 TRP A 40 9.619 12.941 -8.696 1.00 14.53 C ATOM 566 CZ3 TRP A 40 7.801 11.873 -7.521 1.00 71.15 C ATOM 567 CH2 TRP A 40 8.759 12.889 -7.632 1.00 62.31 C ATOM 0 H TRP A 40 10.083 7.811 -10.085 1.00 51.51 H new ATOM 0 HA TRP A 40 7.272 8.055 -9.225 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.355 8.425 -12.012 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.918 9.116 -11.285 1.00 45.14 H new ATOM 0 HD1 TRP A 40 10.144 10.233 -12.377 1.00 34.43 H new ATOM 0 HE1 TRP A 40 10.986 12.343 -11.151 1.00 74.20 H new ATOM 0 HE3 TRP A 40 6.944 10.111 -8.390 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 10.357 13.725 -8.781 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 7.138 11.860 -6.668 1.00 71.15 H new ATOM 0 HH2 TRP A 40 8.820 13.646 -6.864 1.00 62.31 H new ATOM 578 N ARG A 41 6.472 5.877 -10.223 1.00 24.31 N ATOM 579 CA ARG A 41 6.148 4.502 -10.581 1.00 20.05 C ATOM 580 C ARG A 41 5.247 4.492 -11.806 1.00 55.23 C ATOM 581 O ARG A 41 4.193 5.109 -11.806 1.00 13.03 O ATOM 582 CB ARG A 41 5.452 3.801 -9.398 1.00 53.34 C ATOM 583 CG ARG A 41 5.762 2.309 -9.284 1.00 52.42 C ATOM 584 CD ARG A 41 7.240 2.072 -8.989 1.00 12.34 C ATOM 585 NE ARG A 41 7.516 0.690 -8.592 1.00 63.22 N ATOM 586 CZ ARG A 41 8.460 0.338 -7.713 1.00 44.45 C ATOM 587 NH1 ARG A 41 9.199 1.267 -7.113 1.00 42.12 N ATOM 588 NH2 ARG A 41 8.644 -0.941 -7.424 1.00 31.14 N ATOM 0 H ARG A 41 5.745 6.369 -9.703 1.00 24.31 H new ATOM 0 HA ARG A 41 7.067 3.963 -10.813 1.00 20.05 H new ATOM 0 HB2 ARG A 41 5.749 4.294 -8.472 1.00 53.34 H new ATOM 0 HB3 ARG A 41 4.374 3.930 -9.497 1.00 53.34 H new ATOM 0 HG2 ARG A 41 5.156 1.869 -8.492 1.00 52.42 H new ATOM 0 HG3 ARG A 41 5.489 1.806 -10.212 1.00 52.42 H new ATOM 0 HD2 ARG A 41 7.828 2.317 -9.873 1.00 12.34 H new ATOM 0 HD3 ARG A 41 7.562 2.746 -8.195 1.00 12.34 H new ATOM 0 HE ARG A 41 6.953 -0.050 -9.012 1.00 63.22 H new ATOM 0 HH11 ARG A 41 9.047 2.254 -7.323 1.00 42.12 H new ATOM 0 HH12 ARG A 41 9.918 0.993 -6.443 1.00 42.12 H new ATOM 0 HH21 ARG A 41 8.067 -1.653 -7.871 1.00 31.14 H new ATOM 0 HH22 ARG A 41 9.363 -1.214 -6.754 1.00 31.14 H new ATOM 602 N VAL A 42 5.646 3.769 -12.835 1.00 41.41 N ATOM 603 CA VAL A 42 4.852 3.665 -14.049 1.00 54.33 C ATOM 604 C VAL A 42 3.915 2.473 -13.927 1.00 41.04 C ATOM 605 O VAL A 42 4.378 1.337 -13.804 1.00 60.22 O ATOM 606 CB VAL A 42 5.746 3.503 -15.303 1.00 3.04 C ATOM 607 CG1 VAL A 42 4.909 3.595 -16.575 1.00 41.04 C ATOM 608 CG2 VAL A 42 6.869 4.541 -15.316 1.00 13.44 C ATOM 0 H VAL A 42 6.519 3.242 -12.856 1.00 41.41 H new ATOM 0 HA VAL A 42 4.280 4.585 -14.168 1.00 54.33 H new ATOM 0 HB VAL A 42 6.205 2.515 -15.265 1.00 3.04 H new ATOM 0 HG11 VAL A 42 5.555 3.479 -17.445 1.00 41.04 H new ATOM 0 HG12 VAL A 42 4.157 2.806 -16.574 1.00 41.04 H new ATOM 0 HG13 VAL A 42 4.416 4.566 -16.617 1.00 41.04 H new ATOM 0 HG21 VAL A 42 7.481 4.404 -16.207 1.00 13.44 H new ATOM 0 HG22 VAL A 42 6.439 5.542 -15.322 1.00 13.44 H new ATOM 0 HG23 VAL A 42 7.489 4.418 -14.428 1.00 13.44 H new ATOM 618 N VAL A 43 2.607 2.717 -13.957 1.00 12.04 N ATOM 619 CA VAL A 43 1.640 1.640 -13.725 1.00 4.12 C ATOM 620 C VAL A 43 1.393 0.888 -15.026 1.00 0.32 C ATOM 621 O VAL A 43 0.984 -0.271 -15.034 1.00 14.03 O ATOM 622 CB VAL A 43 0.306 2.169 -13.140 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.404 3.084 -14.131 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.600 1.014 -12.703 1.00 73.33 C ATOM 0 H VAL A 43 2.195 3.633 -14.136 1.00 12.04 H new ATOM 0 HA VAL A 43 2.064 0.961 -12.985 1.00 4.12 H new ATOM 0 HB VAL A 43 0.540 2.760 -12.254 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.337 3.440 -13.694 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.236 3.935 -14.363 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -0.620 2.532 -15.046 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.529 1.414 -12.296 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -0.823 0.381 -13.562 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.094 0.424 -11.939 1.00 73.33 H new ATOM 634 N HIS A 44 1.653 1.573 -16.126 1.00 64.55 N ATOM 635 CA HIS A 44 1.608 0.983 -17.451 1.00 44.42 C ATOM 636 C HIS A 44 2.632 1.675 -18.326 1.00 73.35 C ATOM 637 O HIS A 44 2.529 2.884 -18.570 1.00 2.12 O ATOM 638 CB HIS A 44 0.208 1.091 -18.069 1.00 33.41 C ATOM 639 CG HIS A 44 -0.755 0.068 -17.553 1.00 64.22 C ATOM 640 ND1 HIS A 44 -1.782 0.366 -16.683 1.00 63.31 N ATOM 641 CD2 HIS A 44 -0.853 -1.256 -17.806 1.00 24.33 C ATOM 642 CE1 HIS A 44 -2.468 -0.731 -16.426 1.00 61.35 C ATOM 643 NE2 HIS A 44 -1.927 -1.730 -17.097 1.00 12.24 N ATOM 0 H HIS A 44 1.903 2.562 -16.124 1.00 64.55 H new ATOM 0 HA HIS A 44 1.841 -0.079 -17.374 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.191 2.086 -17.872 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.289 0.989 -19.151 1.00 33.41 H new ATOM 0 HD1 HIS A 44 -1.980 1.290 -16.298 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -0.205 -1.834 -18.448 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -3.328 -0.800 -15.776 1.00 61.35 H new ATOM 652 N GLY A 45 3.631 0.916 -18.758 1.00 42.11 N ATOM 653 CA GLY A 45 4.722 1.474 -19.528 1.00 12.53 C ATOM 654 C GLY A 45 4.295 1.896 -20.913 1.00 61.03 C ATOM 655 O GLY A 45 3.108 1.888 -21.234 1.00 13.13 O ATOM 0 H GLY A 45 3.703 -0.087 -18.586 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.132 2.335 -19.000 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.521 0.737 -19.606 1.00 12.53 H new ATOM 659 N GLU A 46 5.272 2.252 -21.733 1.00 70.20 N ATOM 660 CA GLU A 46 5.021 2.709 -23.090 1.00 12.32 C ATOM 661 C GLU A 46 4.147 1.717 -23.858 1.00 41.42 C ATOM 662 O GLU A 46 4.372 0.503 -23.818 1.00 12.04 O ATOM 663 CB GLU A 46 6.343 2.954 -23.835 1.00 10.22 C ATOM 664 CG GLU A 46 7.302 1.754 -23.886 1.00 43.31 C ATOM 665 CD GLU A 46 8.011 1.478 -22.562 1.00 74.34 C ATOM 666 OE1 GLU A 46 9.035 2.136 -22.278 1.00 62.12 O ATOM 667 OE2 GLU A 46 7.550 0.606 -21.792 1.00 5.12 O ATOM 0 H GLU A 46 6.259 2.232 -21.477 1.00 70.20 H new ATOM 0 HA GLU A 46 4.480 3.653 -23.027 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.114 3.258 -24.856 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.858 3.790 -23.361 1.00 10.22 H new ATOM 0 HG2 GLU A 46 6.743 0.866 -24.181 1.00 43.31 H new ATOM 0 HG3 GLU A 46 8.050 1.931 -24.659 1.00 43.31 H new ATOM 674 N ALA A 47 3.144 2.250 -24.544 1.00 23.10 N ATOM 675 CA ALA A 47 2.200 1.443 -25.303 1.00 63.51 C ATOM 676 C ALA A 47 1.895 2.113 -26.635 1.00 73.41 C ATOM 677 O ALA A 47 2.364 3.222 -26.904 1.00 62.32 O ATOM 678 CB ALA A 47 0.920 1.228 -24.497 1.00 61.02 C ATOM 0 H ALA A 47 2.963 3.253 -24.589 1.00 23.10 H new ATOM 0 HA ALA A 47 2.645 0.468 -25.501 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.223 0.623 -25.076 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.159 0.715 -23.565 1.00 61.02 H new ATOM 0 HB3 ALA A 47 0.464 2.193 -24.273 1.00 61.02 H new ATOM 684 N ASP A 48 1.108 1.433 -27.462 1.00 43.44 N ATOM 685 CA ASP A 48 0.748 1.929 -28.790 1.00 51.31 C ATOM 686 C ASP A 48 -0.084 3.197 -28.698 1.00 41.22 C ATOM 687 O ASP A 48 -0.714 3.472 -27.669 1.00 41.42 O ATOM 688 CB ASP A 48 -0.048 0.865 -29.553 1.00 34.15 C ATOM 689 CG ASP A 48 0.732 -0.421 -29.749 1.00 34.52 C ATOM 690 OD1 ASP A 48 0.834 -1.208 -28.786 1.00 44.10 O ATOM 691 OD2 ASP A 48 1.243 -0.651 -30.866 1.00 61.52 O ATOM 0 H ASP A 48 0.702 0.526 -27.234 1.00 43.44 H new ATOM 0 HA ASP A 48 1.673 2.153 -29.320 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.969 0.648 -29.011 1.00 34.15 H new ATOM 0 HB3 ASP A 48 -0.337 1.262 -30.526 1.00 34.15 H new ATOM 696 N ARG A 49 -0.109 3.952 -29.790 1.00 53.53 N ATOM 697 CA ARG A 49 -0.927 5.153 -29.869 1.00 35.31 C ATOM 698 C ARG A 49 -2.388 4.783 -29.630 1.00 63.41 C ATOM 699 O ARG A 49 -3.126 5.511 -28.979 1.00 64.05 O ATOM 700 CB ARG A 49 -0.765 5.831 -31.236 1.00 64.50 C ATOM 701 CG ARG A 49 -1.403 7.215 -31.309 1.00 25.32 C ATOM 702 CD ARG A 49 -1.428 7.764 -32.733 1.00 61.13 C ATOM 703 NE ARG A 49 -0.092 7.853 -33.335 1.00 44.12 N ATOM 704 CZ ARG A 49 0.248 8.741 -34.271 1.00 64.24 C ATOM 705 NH1 ARG A 49 -0.623 9.667 -34.651 1.00 24.55 N ATOM 706 NH2 ARG A 49 1.462 8.716 -34.811 1.00 74.33 N ATOM 0 H ARG A 49 0.429 3.752 -30.633 1.00 53.53 H new ATOM 0 HA ARG A 49 -0.601 5.857 -29.104 1.00 35.31 H new ATOM 0 HB2 ARG A 49 0.297 5.917 -31.466 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.207 5.195 -32.003 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.421 7.165 -30.923 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -0.852 7.902 -30.666 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -2.058 7.125 -33.352 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -1.885 8.754 -32.727 1.00 61.13 H new ATOM 0 HE ARG A 49 0.620 7.195 -33.018 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -1.550 9.699 -34.228 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -0.365 10.347 -35.366 1.00 24.55 H new ATOM 0 HH21 ARG A 49 2.140 8.015 -34.510 1.00 74.33 H new ATOM 0 HH22 ARG A 49 1.716 9.397 -35.526 1.00 74.33 H new ATOM 720 N ALA A 50 -2.789 3.629 -30.149 1.00 72.03 N ATOM 721 CA ALA A 50 -4.132 3.108 -29.918 1.00 51.03 C ATOM 722 C ALA A 50 -4.350 2.832 -28.429 1.00 12.03 C ATOM 723 O ALA A 50 -5.427 3.076 -27.895 1.00 12.24 O ATOM 724 CB ALA A 50 -4.352 1.840 -30.735 1.00 12.12 C ATOM 0 H ALA A 50 -2.202 3.034 -30.734 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.857 3.857 -30.237 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -5.358 1.461 -30.554 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -4.234 2.065 -31.795 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.622 1.086 -30.441 1.00 12.12 H new ATOM 730 N ALA A 51 -3.297 2.359 -27.766 1.00 52.32 N ATOM 731 CA ALA A 51 -3.357 1.977 -26.353 1.00 4.44 C ATOM 732 C ALA A 51 -3.536 3.198 -25.453 1.00 42.22 C ATOM 733 O ALA A 51 -4.225 3.134 -24.415 1.00 11.11 O ATOM 734 CB ALA A 51 -2.092 1.222 -25.972 1.00 13.05 C ATOM 0 H ALA A 51 -2.379 2.229 -28.190 1.00 52.32 H new ATOM 0 HA ALA A 51 -4.223 1.330 -26.210 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -2.140 0.939 -24.920 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -2.005 0.325 -26.585 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -1.224 1.860 -26.137 1.00 13.05 H new ATOM 740 N CYS A 52 -2.859 4.289 -25.825 1.00 32.44 N ATOM 741 CA CYS A 52 -3.009 5.570 -25.135 1.00 51.42 C ATOM 742 C CYS A 52 -4.350 6.221 -25.474 1.00 23.32 C ATOM 743 O CYS A 52 -5.065 6.685 -24.583 1.00 3.22 O ATOM 744 CB CYS A 52 -1.855 6.521 -25.484 1.00 61.32 C ATOM 745 SG CYS A 52 -1.699 6.916 -27.241 1.00 33.32 S ATOM 0 H CYS A 52 -2.200 4.308 -26.603 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.982 5.373 -24.063 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.988 7.449 -24.928 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -0.921 6.076 -25.142 1.00 61.32 H new ATOM 0 HG CYS A 52 -2.601 6.265 -27.914 1.00 33.32 H new ATOM 751 N LEU A 53 -4.686 6.257 -26.769 1.00 43.35 N ATOM 752 CA LEU A 53 -5.933 6.868 -27.226 1.00 74.32 C ATOM 753 C LEU A 53 -7.133 6.155 -26.618 1.00 2.01 C ATOM 754 O LEU A 53 -8.154 6.781 -26.322 1.00 41.12 O ATOM 755 CB LEU A 53 -6.033 6.864 -28.762 1.00 44.01 C ATOM 756 CG LEU A 53 -5.009 7.750 -29.498 1.00 62.22 C ATOM 757 CD1 LEU A 53 -5.232 7.698 -31.009 1.00 70.12 C ATOM 758 CD2 LEU A 53 -5.068 9.192 -28.994 1.00 15.11 C ATOM 0 H LEU A 53 -4.110 5.870 -27.516 1.00 43.35 H new ATOM 0 HA LEU A 53 -5.933 7.906 -26.892 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -5.918 5.839 -29.113 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -7.035 7.187 -29.044 1.00 44.01 H new ATOM 0 HG LEU A 53 -4.014 7.358 -29.285 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -4.498 8.331 -31.507 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -5.122 6.671 -31.358 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -6.235 8.055 -31.241 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -4.335 9.795 -29.530 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -6.066 9.597 -29.165 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -4.845 9.214 -27.927 1.00 15.11 H new ATOM 770 N GLU A 54 -7.014 4.847 -26.431 1.00 54.41 N ATOM 771 CA GLU A 54 -8.059 4.091 -25.761 1.00 14.33 C ATOM 772 C GLU A 54 -8.000 4.317 -24.251 1.00 52.22 C ATOM 773 O GLU A 54 -9.041 4.397 -23.608 1.00 22.30 O ATOM 774 CB GLU A 54 -7.988 2.598 -26.102 1.00 0.25 C ATOM 775 CG GLU A 54 -8.390 2.275 -27.540 1.00 41.53 C ATOM 776 CD GLU A 54 -8.607 0.787 -27.771 1.00 73.12 C ATOM 777 OE1 GLU A 54 -7.644 0.082 -28.134 1.00 65.32 O ATOM 778 OE2 GLU A 54 -9.748 0.317 -27.595 1.00 55.44 O ATOM 0 H GLU A 54 -6.212 4.293 -26.731 1.00 54.41 H new ATOM 0 HA GLU A 54 -9.019 4.456 -26.125 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -6.972 2.243 -25.930 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -8.637 2.048 -25.421 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -9.305 2.814 -27.786 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -7.616 2.634 -28.218 1.00 41.53 H new ATOM 785 N TYR A 55 -6.791 4.423 -23.674 1.00 63.34 N ATOM 786 CA TYR A 55 -6.670 4.837 -22.265 1.00 53.30 C ATOM 787 C TYR A 55 -7.515 6.087 -21.968 1.00 12.43 C ATOM 788 O TYR A 55 -8.384 6.056 -21.094 1.00 25.40 O ATOM 789 CB TYR A 55 -5.197 5.098 -21.891 1.00 54.33 C ATOM 790 CG TYR A 55 -5.026 5.981 -20.667 1.00 33.53 C ATOM 791 CD1 TYR A 55 -5.492 5.577 -19.422 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.419 7.231 -20.766 1.00 54.33 C ATOM 793 CE1 TYR A 55 -5.363 6.392 -18.316 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.281 8.045 -19.662 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.757 7.625 -18.441 1.00 71.24 C ATOM 796 OH TYR A 55 -4.635 8.445 -17.341 1.00 1.32 O ATOM 0 H TYR A 55 -5.906 4.234 -24.145 1.00 63.34 H new ATOM 0 HA TYR A 55 -7.049 4.016 -21.656 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -4.702 4.144 -21.712 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.693 5.564 -22.738 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -5.962 4.610 -19.318 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.050 7.568 -21.724 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -5.735 6.066 -17.356 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.801 9.008 -19.755 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.184 9.275 -17.600 1.00 1.32 H new ATOM 806 N ILE A 56 -7.256 7.180 -22.688 1.00 72.14 N ATOM 807 CA ILE A 56 -7.982 8.435 -22.462 1.00 54.34 C ATOM 808 C ILE A 56 -9.477 8.259 -22.726 1.00 35.30 C ATOM 809 O ILE A 56 -10.313 8.793 -21.992 1.00 14.25 O ATOM 810 CB ILE A 56 -7.423 9.612 -23.318 1.00 50.34 C ATOM 811 CG1 ILE A 56 -8.395 10.809 -23.306 1.00 13.53 C ATOM 812 CG2 ILE A 56 -7.139 9.167 -24.748 1.00 54.41 C ATOM 813 CD1 ILE A 56 -7.870 12.035 -24.030 1.00 32.34 C ATOM 0 H ILE A 56 -6.555 7.224 -23.427 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.832 8.693 -21.414 1.00 54.34 H new ATOM 0 HB ILE A 56 -6.481 9.930 -22.871 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -9.336 10.505 -23.763 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.614 11.076 -22.272 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -6.750 10.009 -25.321 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -6.403 8.363 -24.740 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -8.061 8.810 -25.208 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -8.610 12.833 -23.977 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -6.944 12.367 -23.560 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -7.678 11.787 -25.074 1.00 32.34 H new ATOM 825 N GLU A 57 -9.803 7.484 -23.754 1.00 31.32 N ATOM 826 CA GLU A 57 -11.192 7.199 -24.108 1.00 13.01 C ATOM 827 C GLU A 57 -11.907 6.495 -22.951 1.00 51.21 C ATOM 828 O GLU A 57 -13.038 6.840 -22.600 1.00 71.31 O ATOM 829 CB GLU A 57 -11.218 6.336 -25.376 1.00 52.35 C ATOM 830 CG GLU A 57 -12.612 5.938 -25.860 1.00 14.33 C ATOM 831 CD GLU A 57 -13.471 7.124 -26.264 1.00 72.01 C ATOM 832 OE1 GLU A 57 -13.177 7.749 -27.307 1.00 43.21 O ATOM 833 OE2 GLU A 57 -14.451 7.430 -25.553 1.00 53.13 O ATOM 0 H GLU A 57 -9.118 7.037 -24.363 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.719 8.133 -24.301 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -10.713 6.878 -26.176 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.642 5.429 -25.192 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.514 5.263 -26.710 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.119 5.384 -25.070 1.00 14.33 H new ATOM 840 N GLU A 58 -11.221 5.528 -22.346 1.00 12.22 N ATOM 841 CA GLU A 58 -11.756 4.781 -21.209 1.00 60.15 C ATOM 842 C GLU A 58 -11.573 5.550 -19.899 1.00 33.10 C ATOM 843 O GLU A 58 -12.187 5.214 -18.884 1.00 31.32 O ATOM 844 CB GLU A 58 -11.102 3.392 -21.130 1.00 74.11 C ATOM 845 CG GLU A 58 -11.727 2.378 -22.084 1.00 63.14 C ATOM 846 CD GLU A 58 -11.332 0.948 -21.769 1.00 0.13 C ATOM 847 OE1 GLU A 58 -12.016 0.304 -20.942 1.00 74.42 O ATOM 848 OE2 GLU A 58 -10.355 0.449 -22.355 1.00 52.44 O ATOM 0 H GLU A 58 -10.284 5.241 -22.628 1.00 12.22 H new ATOM 0 HA GLU A 58 -12.827 4.652 -21.362 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -10.039 3.485 -21.354 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -11.181 3.018 -20.109 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -12.812 2.467 -22.041 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -11.428 2.615 -23.105 1.00 63.14 H new ATOM 855 N HIS A 59 -10.721 6.573 -19.933 1.00 11.51 N ATOM 856 CA HIS A 59 -10.518 7.473 -18.793 1.00 45.14 C ATOM 857 C HIS A 59 -9.980 6.704 -17.579 1.00 52.43 C ATOM 858 O HIS A 59 -10.299 7.035 -16.438 1.00 13.30 O ATOM 859 CB HIS A 59 -11.846 8.194 -18.450 1.00 40.10 C ATOM 860 CG HIS A 59 -11.682 9.466 -17.664 1.00 63.15 C ATOM 861 ND1 HIS A 59 -11.946 10.709 -18.195 1.00 32.20 N ATOM 862 CD2 HIS A 59 -11.303 9.686 -16.382 1.00 71.52 C ATOM 863 CE1 HIS A 59 -11.732 11.635 -17.281 1.00 40.20 C ATOM 864 NE2 HIS A 59 -11.341 11.040 -16.171 1.00 25.42 N ATOM 0 H HIS A 59 -10.152 6.803 -20.748 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.774 8.222 -19.064 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -12.371 8.421 -19.378 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -12.479 7.511 -17.884 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -11.023 8.934 -15.660 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -11.856 12.699 -17.418 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -11.105 11.511 -15.297 1.00 25.42 H new ATOM 873 N TRP A 60 -9.143 5.693 -17.838 1.00 72.13 N ATOM 874 CA TRP A 60 -8.567 4.866 -16.767 1.00 71.34 C ATOM 875 C TRP A 60 -9.677 4.084 -16.050 1.00 40.15 C ATOM 876 O TRP A 60 -10.207 4.527 -15.031 1.00 70.12 O ATOM 877 CB TRP A 60 -7.772 5.745 -15.781 1.00 31.04 C ATOM 878 CG TRP A 60 -7.167 5.006 -14.620 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.640 4.969 -13.337 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.977 4.208 -14.630 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.813 4.209 -12.551 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.787 3.729 -13.318 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.050 3.852 -15.615 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.713 2.917 -12.970 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -3.982 3.045 -15.266 1.00 24.12 C ATOM 886 CH2 TRP A 60 -3.821 2.585 -13.950 1.00 3.21 C ATOM 0 H TRP A 60 -8.849 5.427 -18.778 1.00 72.13 H new ATOM 0 HA TRP A 60 -7.875 4.146 -17.204 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -6.975 6.249 -16.328 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -8.433 6.521 -15.394 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.535 5.466 -12.993 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.942 4.030 -11.555 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.166 4.201 -16.630 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -4.588 2.561 -11.958 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -3.260 2.764 -16.019 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -2.976 1.957 -13.708 1.00 3.21 H new ATOM 897 N PRO A 61 -10.075 2.926 -16.612 1.00 53.15 N ATOM 898 CA PRO A 61 -11.161 2.109 -16.067 1.00 60.42 C ATOM 899 C PRO A 61 -10.701 1.097 -15.007 1.00 63.32 C ATOM 900 O PRO A 61 -11.430 0.813 -14.050 1.00 74.04 O ATOM 901 CB PRO A 61 -11.670 1.383 -17.315 1.00 23.13 C ATOM 902 CG PRO A 61 -10.441 1.171 -18.140 1.00 54.12 C ATOM 903 CD PRO A 61 -9.521 2.338 -17.850 1.00 12.01 C ATOM 0 HA PRO A 61 -11.904 2.712 -15.545 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -12.147 0.437 -17.059 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -12.411 1.979 -17.849 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -9.961 0.226 -17.885 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -10.689 1.127 -19.201 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -8.491 2.010 -17.711 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -9.518 3.058 -18.668 1.00 12.01 H new ATOM 911 N ASP A 62 -9.490 0.563 -15.163 1.00 32.11 N ATOM 912 CA ASP A 62 -9.043 -0.557 -14.339 1.00 14.31 C ATOM 913 C ASP A 62 -7.542 -0.465 -14.060 1.00 34.34 C ATOM 914 O ASP A 62 -6.845 0.361 -14.654 1.00 74.44 O ATOM 915 CB ASP A 62 -9.390 -1.876 -15.045 1.00 44.51 C ATOM 916 CG ASP A 62 -9.331 -3.073 -14.113 1.00 24.42 C ATOM 917 OD1 ASP A 62 -10.309 -3.292 -13.363 1.00 61.41 O ATOM 918 OD2 ASP A 62 -8.311 -3.788 -14.119 1.00 14.01 O ATOM 0 H ASP A 62 -8.806 0.886 -15.847 1.00 32.11 H new ATOM 0 HA ASP A 62 -9.556 -0.521 -13.378 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -10.390 -1.802 -15.472 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -8.700 -2.032 -15.874 1.00 44.51 H new ATOM 923 N ILE A 63 -7.046 -1.327 -13.169 1.00 0.00 N ATOM 924 CA ILE A 63 -5.660 -1.258 -12.706 1.00 44.50 C ATOM 925 C ILE A 63 -4.913 -2.570 -12.970 1.00 32.32 C ATOM 926 O ILE A 63 -5.442 -3.662 -12.748 1.00 13.12 O ATOM 927 CB ILE A 63 -5.569 -0.911 -11.187 1.00 41.40 C ATOM 928 CG1 ILE A 63 -6.174 -2.023 -10.295 1.00 23.02 C ATOM 929 CG2 ILE A 63 -6.249 0.427 -10.901 1.00 3.52 C ATOM 930 CD1 ILE A 63 -7.683 -2.172 -10.388 1.00 43.03 C ATOM 0 H ILE A 63 -7.588 -2.084 -12.753 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.188 -0.458 -13.276 1.00 44.50 H new ATOM 0 HB ILE A 63 -4.511 -0.834 -10.938 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -5.713 -2.974 -10.563 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -5.907 -1.821 -9.258 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -6.176 0.652 -9.837 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -5.758 1.214 -11.473 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -7.299 0.370 -11.188 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -8.011 -2.975 -9.728 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -8.160 -1.239 -10.089 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -7.963 -2.409 -11.414 1.00 43.03 H new ATOM 942 N ARG A 64 -3.679 -2.443 -13.450 1.00 63.13 N ATOM 943 CA ARG A 64 -2.795 -3.584 -13.696 1.00 42.30 C ATOM 944 C ARG A 64 -1.342 -3.148 -13.502 1.00 24.20 C ATOM 945 O ARG A 64 -1.033 -1.966 -13.668 1.00 71.42 O ATOM 946 CB ARG A 64 -2.984 -4.143 -15.117 1.00 5.01 C ATOM 947 CG ARG A 64 -4.277 -4.930 -15.331 1.00 72.23 C ATOM 948 CD ARG A 64 -4.317 -5.537 -16.726 1.00 23.51 C ATOM 949 NE ARG A 64 -5.474 -6.404 -16.946 1.00 24.12 N ATOM 950 CZ ARG A 64 -5.416 -7.553 -17.623 1.00 51.34 C ATOM 951 NH1 ARG A 64 -4.241 -8.044 -18.001 1.00 21.41 N ATOM 952 NH2 ARG A 64 -6.526 -8.230 -17.889 1.00 1.45 N ATOM 0 H ARG A 64 -3.260 -1.542 -13.681 1.00 63.13 H new ATOM 0 HA ARG A 64 -3.047 -4.374 -12.988 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -2.959 -3.314 -15.824 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -2.139 -4.789 -15.353 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -4.355 -5.720 -14.584 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -5.135 -4.273 -15.191 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -4.327 -4.735 -17.464 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -3.405 -6.111 -16.892 1.00 23.51 H new ATOM 0 HE ARG A 64 -6.374 -6.115 -16.562 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -3.382 -7.543 -17.774 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -4.198 -8.922 -18.518 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -7.429 -7.873 -17.576 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -6.476 -9.107 -18.407 1.00 1.45 H new ATOM 966 N PRO A 65 -0.439 -4.085 -13.147 1.00 13.42 N ATOM 967 CA PRO A 65 0.975 -3.776 -12.888 1.00 21.15 C ATOM 968 C PRO A 65 1.770 -3.459 -14.160 1.00 52.11 C ATOM 969 O PRO A 65 1.281 -3.620 -15.279 1.00 62.12 O ATOM 970 CB PRO A 65 1.519 -5.059 -12.225 1.00 31.52 C ATOM 971 CG PRO A 65 0.323 -5.911 -11.942 1.00 32.30 C ATOM 972 CD PRO A 65 -0.716 -5.517 -12.954 1.00 31.11 C ATOM 0 HA PRO A 65 1.072 -2.883 -12.271 1.00 21.15 H new ATOM 0 HB2 PRO A 65 2.218 -5.573 -12.884 1.00 31.52 H new ATOM 0 HB3 PRO A 65 2.059 -4.826 -11.307 1.00 31.52 H new ATOM 0 HG2 PRO A 65 0.569 -6.969 -12.027 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -0.040 -5.749 -10.927 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -0.614 -6.080 -13.882 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -1.728 -5.690 -12.587 1.00 31.11 H new ATOM 980 N LYS A 66 3.006 -3.002 -13.962 1.00 32.35 N ATOM 981 CA LYS A 66 3.931 -2.729 -15.060 1.00 12.54 C ATOM 982 C LYS A 66 4.456 -4.036 -15.648 1.00 64.54 C ATOM 983 O LYS A 66 4.797 -4.961 -14.910 1.00 64.34 O ATOM 984 CB LYS A 66 5.104 -1.861 -14.555 1.00 13.42 C ATOM 985 CG LYS A 66 6.308 -1.786 -15.502 1.00 20.12 C ATOM 986 CD LYS A 66 5.948 -1.208 -16.869 1.00 14.20 C ATOM 987 CE LYS A 66 7.179 -1.056 -17.764 1.00 34.20 C ATOM 988 NZ LYS A 66 7.853 -2.357 -18.059 1.00 63.22 N ATOM 0 H LYS A 66 3.393 -2.811 -13.038 1.00 32.35 H new ATOM 0 HA LYS A 66 3.400 -2.186 -15.842 1.00 12.54 H new ATOM 0 HB2 LYS A 66 4.738 -0.850 -14.376 1.00 13.42 H new ATOM 0 HB3 LYS A 66 5.440 -2.253 -13.595 1.00 13.42 H new ATOM 0 HG2 LYS A 66 7.086 -1.173 -15.046 1.00 20.12 H new ATOM 0 HG3 LYS A 66 6.725 -2.785 -15.633 1.00 20.12 H new ATOM 0 HD2 LYS A 66 5.221 -1.857 -17.358 1.00 14.20 H new ATOM 0 HD3 LYS A 66 5.471 -0.236 -16.739 1.00 14.20 H new ATOM 0 HE2 LYS A 66 6.883 -0.586 -18.702 1.00 34.20 H new ATOM 0 HE3 LYS A 66 7.891 -0.386 -17.282 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 8.405 -2.271 -18.936 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 8.487 -2.605 -17.273 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 7.136 -3.101 -18.173 1.00 63.22 H new ATOM 1002 N SER A 67 4.510 -4.109 -16.976 1.00 62.31 N ATOM 1003 CA SER A 67 5.066 -5.268 -17.659 1.00 54.23 C ATOM 1004 C SER A 67 6.567 -5.410 -17.362 1.00 53.41 C ATOM 1005 O SER A 67 7.403 -4.957 -18.145 1.00 22.22 O ATOM 1006 CB SER A 67 4.820 -5.161 -19.168 1.00 60.21 C ATOM 1007 OG SER A 67 3.458 -4.870 -19.440 1.00 72.44 O ATOM 0 H SER A 67 4.174 -3.375 -17.600 1.00 62.31 H new ATOM 0 HA SER A 67 4.564 -6.161 -17.287 1.00 54.23 H new ATOM 0 HB2 SER A 67 5.454 -4.381 -19.589 1.00 60.21 H new ATOM 0 HB3 SER A 67 5.100 -6.096 -19.653 1.00 60.21 H new ATOM 0 HG SER A 67 3.393 -4.352 -20.270 1.00 72.44 H new ATOM 1013 N LEU A 68 6.853 -6.001 -16.190 1.00 64.11 N ATOM 1014 CA LEU A 68 8.201 -6.375 -15.702 1.00 43.11 C ATOM 1015 C LEU A 68 9.370 -5.474 -16.164 1.00 71.30 C ATOM 1016 O LEU A 68 9.189 -4.339 -16.622 1.00 53.54 O ATOM 1017 CB LEU A 68 8.511 -7.877 -15.982 1.00 3.52 C ATOM 1018 CG LEU A 68 8.377 -8.435 -17.430 1.00 74.14 C ATOM 1019 CD1 LEU A 68 6.920 -8.563 -17.864 1.00 65.05 C ATOM 1020 CD2 LEU A 68 9.169 -7.607 -18.437 1.00 63.42 C ATOM 0 H LEU A 68 6.121 -6.244 -15.523 1.00 64.11 H new ATOM 0 HA LEU A 68 8.141 -6.204 -14.627 1.00 43.11 H new ATOM 0 HB2 LEU A 68 9.533 -8.065 -15.654 1.00 3.52 H new ATOM 0 HB3 LEU A 68 7.856 -8.469 -15.343 1.00 3.52 H new ATOM 0 HG LEU A 68 8.806 -9.437 -17.412 1.00 74.14 H new ATOM 0 HD11 LEU A 68 6.876 -8.956 -18.880 1.00 65.05 H new ATOM 0 HD12 LEU A 68 6.398 -9.242 -17.190 1.00 65.05 H new ATOM 0 HD13 LEU A 68 6.444 -7.583 -17.833 1.00 65.05 H new ATOM 0 HD21 LEU A 68 9.047 -8.032 -19.433 1.00 63.42 H new ATOM 0 HD22 LEU A 68 8.802 -6.581 -18.433 1.00 63.42 H new ATOM 0 HD23 LEU A 68 10.225 -7.616 -18.165 1.00 63.42 H new ATOM 1032 N ARG A 69 10.578 -5.997 -15.933 1.00 72.54 N ATOM 1033 CA ARG A 69 11.835 -5.423 -16.408 1.00 51.11 C ATOM 1034 C ARG A 69 12.969 -6.384 -16.034 1.00 31.31 C ATOM 1035 O ARG A 69 12.784 -7.246 -15.173 1.00 25.43 O ATOM 1036 CB ARG A 69 12.110 -4.025 -15.812 1.00 23.24 C ATOM 1037 CG ARG A 69 13.381 -3.388 -16.374 1.00 3.32 C ATOM 1038 CD ARG A 69 13.691 -2.019 -15.785 1.00 63.15 C ATOM 1039 NE ARG A 69 14.926 -1.478 -16.359 1.00 63.40 N ATOM 1040 CZ ARG A 69 15.232 -0.183 -16.433 1.00 21.44 C ATOM 1041 NH1 ARG A 69 14.449 0.740 -15.883 1.00 44.15 N ATOM 1042 NH2 ARG A 69 16.340 0.194 -17.054 1.00 11.13 N ATOM 0 H ARG A 69 10.709 -6.854 -15.396 1.00 72.54 H new ATOM 0 HA ARG A 69 11.770 -5.293 -17.488 1.00 51.11 H new ATOM 0 HB2 ARG A 69 11.260 -3.373 -16.016 1.00 23.24 H new ATOM 0 HB3 ARG A 69 12.197 -4.106 -14.729 1.00 23.24 H new ATOM 0 HG2 ARG A 69 14.224 -4.054 -16.187 1.00 3.32 H new ATOM 0 HG3 ARG A 69 13.282 -3.295 -17.456 1.00 3.32 H new ATOM 0 HD2 ARG A 69 12.863 -1.337 -15.981 1.00 63.15 H new ATOM 0 HD3 ARG A 69 13.790 -2.097 -14.702 1.00 63.15 H new ATOM 0 HE ARG A 69 15.604 -2.144 -16.730 1.00 63.40 H new ATOM 0 HH11 ARG A 69 13.598 0.462 -15.394 1.00 44.15 H new ATOM 0 HH12 ARG A 69 14.699 1.727 -15.950 1.00 44.15 H new ATOM 0 HH21 ARG A 69 16.953 -0.505 -17.472 1.00 11.13 H new ATOM 0 HH22 ARG A 69 16.580 1.184 -17.114 1.00 11.13 H new ATOM 1056 N ASP A 70 14.125 -6.249 -16.682 1.00 3.11 N ATOM 1057 CA ASP A 70 15.277 -7.116 -16.412 1.00 55.45 C ATOM 1058 C ASP A 70 15.700 -7.045 -14.939 1.00 61.12 C ATOM 1059 O ASP A 70 16.120 -5.998 -14.445 1.00 62.15 O ATOM 1060 CB ASP A 70 16.461 -6.741 -17.322 1.00 35.03 C ATOM 1061 CG ASP A 70 16.991 -5.333 -17.068 1.00 22.05 C ATOM 1062 OD1 ASP A 70 16.316 -4.357 -17.463 1.00 32.01 O ATOM 1063 OD2 ASP A 70 18.075 -5.195 -16.461 1.00 72.12 O ATOM 0 H ASP A 70 14.292 -5.545 -17.401 1.00 3.11 H new ATOM 0 HA ASP A 70 14.975 -8.141 -16.627 1.00 55.45 H new ATOM 0 HB2 ASP A 70 17.268 -7.459 -17.172 1.00 35.03 H new ATOM 0 HB3 ASP A 70 16.151 -6.823 -18.364 1.00 35.03 H new ATOM 1068 N LYS A 71 15.550 -8.166 -14.232 1.00 32.23 N ATOM 1069 CA LYS A 71 15.972 -8.276 -12.832 1.00 5.13 C ATOM 1070 C LYS A 71 16.939 -9.447 -12.658 1.00 53.24 C ATOM 1071 O LYS A 71 17.071 -10.006 -11.566 1.00 70.21 O ATOM 1072 CB LYS A 71 14.749 -8.441 -11.900 1.00 1.23 C ATOM 1073 CG LYS A 71 14.301 -7.147 -11.215 1.00 12.31 C ATOM 1074 CD LYS A 71 13.818 -6.095 -12.211 1.00 64.40 C ATOM 1075 CE LYS A 71 13.595 -4.741 -11.544 1.00 71.42 C ATOM 1076 NZ LYS A 71 14.844 -4.217 -10.928 1.00 55.15 N ATOM 0 H LYS A 71 15.136 -9.018 -14.609 1.00 32.23 H new ATOM 0 HA LYS A 71 16.487 -7.355 -12.557 1.00 5.13 H new ATOM 0 HB2 LYS A 71 13.916 -8.839 -12.480 1.00 1.23 H new ATOM 0 HB3 LYS A 71 14.987 -9.180 -11.135 1.00 1.23 H new ATOM 0 HG2 LYS A 71 13.500 -7.371 -10.511 1.00 12.31 H new ATOM 0 HG3 LYS A 71 15.130 -6.741 -10.636 1.00 12.31 H new ATOM 0 HD2 LYS A 71 14.550 -5.989 -13.011 1.00 64.40 H new ATOM 0 HD3 LYS A 71 12.889 -6.430 -12.672 1.00 64.40 H new ATOM 0 HE2 LYS A 71 13.227 -4.028 -12.282 1.00 71.42 H new ATOM 0 HE3 LYS A 71 12.824 -4.835 -10.779 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 14.765 -3.187 -10.806 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 14.988 -4.665 -10.001 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 15.652 -4.432 -11.546 1.00 55.15 H new ATOM 1090 N LEU A 72 17.651 -9.780 -13.730 1.00 31.23 N ATOM 1091 CA LEU A 72 18.557 -10.926 -13.737 1.00 75.41 C ATOM 1092 C LEU A 72 19.929 -10.512 -13.192 1.00 62.01 C ATOM 1093 O LEU A 72 20.971 -10.803 -13.781 1.00 24.31 O ATOM 1094 CB LEU A 72 18.669 -11.493 -15.166 1.00 44.43 C ATOM 1095 CG LEU A 72 19.399 -12.843 -15.286 1.00 35.43 C ATOM 1096 CD1 LEU A 72 18.712 -13.914 -14.439 1.00 41.32 C ATOM 1097 CD2 LEU A 72 19.484 -13.281 -16.747 1.00 22.35 C ATOM 0 H LEU A 72 17.618 -9.269 -14.612 1.00 31.23 H new ATOM 0 HA LEU A 72 18.161 -11.709 -13.091 1.00 75.41 H new ATOM 0 HB2 LEU A 72 17.664 -11.605 -15.574 1.00 44.43 H new ATOM 0 HB3 LEU A 72 19.186 -10.763 -15.789 1.00 44.43 H new ATOM 0 HG LEU A 72 20.413 -12.714 -14.907 1.00 35.43 H new ATOM 0 HD11 LEU A 72 19.247 -14.858 -14.542 1.00 41.32 H new ATOM 0 HD12 LEU A 72 18.714 -13.607 -13.393 1.00 41.32 H new ATOM 0 HD13 LEU A 72 17.684 -14.042 -14.778 1.00 41.32 H new ATOM 0 HD21 LEU A 72 20.003 -14.237 -16.811 1.00 22.35 H new ATOM 0 HD22 LEU A 72 18.478 -13.386 -17.154 1.00 22.35 H new ATOM 0 HD23 LEU A 72 20.031 -12.532 -17.320 1.00 22.35 H new ATOM 1109 N ALA A 73 19.912 -9.836 -12.050 1.00 21.05 N ATOM 1110 CA ALA A 73 21.131 -9.362 -11.396 1.00 32.42 C ATOM 1111 C ALA A 73 21.666 -10.404 -10.409 1.00 24.44 C ATOM 1112 O ALA A 73 22.392 -10.071 -9.468 1.00 3.22 O ATOM 1113 CB ALA A 73 20.856 -8.038 -10.687 1.00 13.24 C ATOM 0 H ALA A 73 19.055 -9.600 -11.549 1.00 21.05 H new ATOM 0 HA ALA A 73 21.895 -9.204 -12.157 1.00 32.42 H new ATOM 0 HB1 ALA A 73 21.767 -7.689 -10.201 1.00 13.24 H new ATOM 0 HB2 ALA A 73 20.526 -7.297 -11.415 1.00 13.24 H new ATOM 0 HB3 ALA A 73 20.078 -8.181 -9.938 1.00 13.24 H new ATOM 1119 N THR A 74 21.316 -11.664 -10.640 1.00 10.11 N ATOM 1120 CA THR A 74 21.756 -12.765 -9.790 1.00 74.24 C ATOM 1121 C THR A 74 23.272 -12.968 -9.894 1.00 61.13 C ATOM 1122 O THR A 74 23.809 -13.089 -10.998 1.00 15.44 O ATOM 1123 CB THR A 74 21.033 -14.068 -10.193 1.00 41.53 C ATOM 1124 OG1 THR A 74 21.161 -14.265 -11.608 1.00 14.22 O ATOM 1125 CG2 THR A 74 19.552 -14.019 -9.819 1.00 11.04 C ATOM 0 H THR A 74 20.722 -11.951 -11.418 1.00 10.11 H new ATOM 0 HA THR A 74 21.508 -12.514 -8.759 1.00 74.24 H new ATOM 0 HB THR A 74 21.494 -14.896 -9.654 1.00 41.53 H new ATOM 0 HG1 THR A 74 22.050 -13.973 -11.900 1.00 14.22 H new ATOM 0 HG21 THR A 74 19.071 -14.951 -10.116 1.00 11.04 H new ATOM 0 HG22 THR A 74 19.453 -13.887 -8.742 1.00 11.04 H new ATOM 0 HG23 THR A 74 19.074 -13.185 -10.333 1.00 11.04 H new ATOM 1133 N GLY A 75 23.950 -12.998 -8.747 1.00 52.32 N ATOM 1134 CA GLY A 75 25.388 -13.201 -8.727 1.00 72.52 C ATOM 1135 C GLY A 75 25.895 -13.540 -7.340 1.00 42.43 C ATOM 1136 O GLY A 75 25.699 -12.769 -6.398 1.00 43.23 O ATOM 0 H GLY A 75 23.524 -12.884 -7.827 1.00 52.32 H new ATOM 0 HA2 GLY A 75 25.650 -14.005 -9.415 1.00 72.52 H new ATOM 0 HA3 GLY A 75 25.886 -12.300 -9.085 1.00 72.52 H new ATOM 1140 N ARG A 76 26.527 -14.704 -7.208 1.00 35.04 N ATOM 1141 CA ARG A 76 27.096 -15.142 -5.941 1.00 4.50 C ATOM 1142 C ARG A 76 28.499 -15.703 -6.178 1.00 12.31 C ATOM 1143 O ARG A 76 28.695 -16.561 -7.043 1.00 73.20 O ATOM 1144 CB ARG A 76 26.178 -16.203 -5.314 1.00 60.21 C ATOM 1145 CG ARG A 76 26.397 -16.447 -3.820 1.00 70.14 C ATOM 1146 CD ARG A 76 27.688 -17.208 -3.523 1.00 54.54 C ATOM 1147 NE ARG A 76 27.774 -18.462 -4.284 1.00 2.04 N ATOM 1148 CZ ARG A 76 28.909 -19.127 -4.517 1.00 41.13 C ATOM 1149 NH1 ARG A 76 30.059 -18.698 -4.007 1.00 34.14 N ATOM 1150 NH2 ARG A 76 28.890 -20.232 -5.247 1.00 60.43 N ATOM 0 H ARG A 76 26.657 -15.365 -7.974 1.00 35.04 H new ATOM 0 HA ARG A 76 27.175 -14.300 -5.254 1.00 4.50 H new ATOM 0 HB2 ARG A 76 25.142 -15.903 -5.470 1.00 60.21 H new ATOM 0 HB3 ARG A 76 26.320 -17.144 -5.845 1.00 60.21 H new ATOM 0 HG2 ARG A 76 26.418 -15.489 -3.300 1.00 70.14 H new ATOM 0 HG3 ARG A 76 25.551 -17.007 -3.421 1.00 70.14 H new ATOM 0 HD2 ARG A 76 28.544 -16.578 -3.764 1.00 54.54 H new ATOM 0 HD3 ARG A 76 27.743 -17.426 -2.457 1.00 54.54 H new ATOM 0 HE ARG A 76 26.909 -18.851 -4.660 1.00 2.04 H new ATOM 0 HH11 ARG A 76 30.079 -17.855 -3.433 1.00 34.14 H new ATOM 0 HH12 ARG A 76 30.921 -19.212 -4.190 1.00 34.14 H new ATOM 0 HH21 ARG A 76 28.009 -20.575 -5.631 1.00 60.43 H new ATOM 0 HH22 ARG A 76 29.756 -20.740 -5.425 1.00 60.43 H new ATOM 1164 N GLY A 77 29.466 -15.207 -5.413 1.00 43.11 N ATOM 1165 CA GLY A 77 30.839 -15.679 -5.514 1.00 54.42 C ATOM 1166 C GLY A 77 31.541 -15.636 -4.172 1.00 15.24 C ATOM 1167 O GLY A 77 30.878 -15.613 -3.129 1.00 61.11 O ATOM 0 H GLY A 77 29.322 -14.477 -4.715 1.00 43.11 H new ATOM 0 HA2 GLY A 77 30.847 -16.699 -5.897 1.00 54.42 H new ATOM 0 HA3 GLY A 77 31.384 -15.065 -6.231 1.00 54.42 H new ATOM 1171 N PHE A 78 32.873 -15.625 -4.193 1.00 22.23 N ATOM 1172 CA PHE A 78 33.680 -15.547 -2.971 1.00 73.44 C ATOM 1173 C PHE A 78 35.163 -15.561 -3.329 1.00 12.01 C ATOM 1174 O PHE A 78 35.791 -14.508 -3.440 1.00 2.23 O ATOM 1175 CB PHE A 78 33.352 -16.702 -2.003 1.00 60.31 C ATOM 1176 CG PHE A 78 34.118 -16.651 -0.701 1.00 23.21 C ATOM 1177 CD1 PHE A 78 33.752 -15.759 0.297 1.00 25.02 C ATOM 1178 CD2 PHE A 78 35.199 -17.494 -0.476 1.00 23.21 C ATOM 1179 CE1 PHE A 78 34.448 -15.708 1.489 1.00 31.41 C ATOM 1180 CE2 PHE A 78 35.898 -17.445 0.716 1.00 21.11 C ATOM 1181 CZ PHE A 78 35.522 -16.552 1.700 1.00 42.13 C ATOM 0 H PHE A 78 33.423 -15.670 -5.051 1.00 22.23 H new ATOM 0 HA PHE A 78 33.439 -14.613 -2.464 1.00 73.44 H new ATOM 0 HB2 PHE A 78 32.284 -16.687 -1.785 1.00 60.31 H new ATOM 0 HB3 PHE A 78 33.563 -17.649 -2.500 1.00 60.31 H new ATOM 0 HD1 PHE A 78 32.913 -15.097 0.140 1.00 25.02 H new ATOM 0 HD2 PHE A 78 35.497 -18.196 -1.241 1.00 23.21 H new ATOM 0 HE1 PHE A 78 34.153 -15.008 2.257 1.00 31.41 H new ATOM 0 HE2 PHE A 78 36.738 -18.105 0.877 1.00 21.11 H new ATOM 0 HZ PHE A 78 36.066 -16.513 2.632 1.00 42.13 H new ATOM 1191 N ASP A 79 35.711 -16.759 -3.515 1.00 52.44 N ATOM 1192 CA ASP A 79 37.091 -16.918 -3.964 1.00 4.14 C ATOM 1193 C ASP A 79 37.151 -16.770 -5.479 1.00 34.43 C ATOM 1194 O ASP A 79 38.056 -16.132 -6.020 1.00 22.44 O ATOM 1195 CB ASP A 79 37.654 -18.278 -3.524 1.00 50.33 C ATOM 1196 CG ASP A 79 36.783 -19.443 -3.961 1.00 31.15 C ATOM 1197 OD1 ASP A 79 35.715 -19.647 -3.346 1.00 63.52 O ATOM 1198 OD2 ASP A 79 37.156 -20.162 -4.908 1.00 74.11 O ATOM 0 H ASP A 79 35.217 -17.638 -3.361 1.00 52.44 H new ATOM 0 HA ASP A 79 37.706 -16.143 -3.507 1.00 4.14 H new ATOM 0 HB2 ASP A 79 38.655 -18.403 -3.937 1.00 50.33 H new ATOM 0 HB3 ASP A 79 37.753 -18.291 -2.439 1.00 50.33 H new ATOM 1203 N GLN A 80 36.178 -17.367 -6.160 1.00 32.33 N ATOM 1204 CA GLN A 80 35.978 -17.134 -7.585 1.00 51.35 C ATOM 1205 C GLN A 80 34.966 -16.000 -7.753 1.00 60.12 C ATOM 1206 O GLN A 80 35.214 -15.089 -8.570 1.00 14.05 O ATOM 1207 CB GLN A 80 35.513 -18.409 -8.327 1.00 42.55 C ATOM 1208 CG GLN A 80 34.100 -18.892 -7.992 1.00 4.25 C ATOM 1209 CD GLN A 80 33.965 -19.445 -6.585 1.00 22.13 C ATOM 1210 OE1 GLN A 80 34.130 -20.643 -6.357 1.00 60.13 O ATOM 1211 NE2 GLN A 80 33.663 -18.576 -5.631 1.00 63.52 N ATOM 1212 OXT GLN A 80 33.956 -15.990 -7.005 1.00 0.00 O ATOM 0 H GLN A 80 35.513 -18.019 -5.745 1.00 32.33 H new ATOM 0 HA GLN A 80 36.931 -16.854 -8.033 1.00 51.35 H new ATOM 0 HB2 GLN A 80 35.569 -18.224 -9.400 1.00 42.55 H new ATOM 0 HB3 GLN A 80 36.215 -19.213 -8.105 1.00 42.55 H new ATOM 0 HG2 GLN A 80 33.403 -18.063 -8.116 1.00 4.25 H new ATOM 0 HG3 GLN A 80 33.810 -19.663 -8.706 1.00 4.25 H new ATOM 0 HE21 GLN A 80 33.534 -17.591 -5.861 1.00 63.52 H new ATOM 0 HE22 GLN A 80 33.559 -18.893 -4.667 1.00 63.52 H new TER 1221 GLN A 80