USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 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 4 SER OG : rot 163:sc= 1.76 USER MOD Set 1.2: A 67 SER OG : rot 66:sc= 1.23 USER MOD Set 2.1: A 22 ASN : amide:sc= 1.78 K(o=3,f=-0.15) USER MOD Set 2.2: A 28 SER OG : rot 111:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -122:sc= -3.36! (180deg=-3.46!) USER MOD Single : A 6 SER OG : rot 180:sc= 0.196 USER MOD Single : A 8 ASN : amide:sc= 0.295 K(o=0.3,f=-3.8!) USER MOD Single : A 14 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 16 SER OG : rot 41:sc= 0.102 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS :FLIP no HE2:sc= 0.0683 F(o=-1.6,f=0.068) USER MOD Single : A 52 CYS SG : rot -123:sc= -10.1! USER MOD Single : A 55 TYR OH : rot -15:sc= -0.686 USER MOD Single : A 59 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.28) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.100 16.970 -45.907 1.00 64.54 N ATOM 2 CA GLY A 1 -2.600 17.295 -44.551 1.00 63.31 C ATOM 3 C GLY A 1 -3.695 17.192 -43.501 1.00 45.41 C ATOM 4 O GLY A 1 -4.132 16.088 -43.173 1.00 52.30 O ATOM 0 H1 GLY A 1 -2.322 17.052 -46.593 1.00 64.54 H new ATOM 0 H2 GLY A 1 -3.469 15.998 -45.917 1.00 64.54 H new ATOM 0 H3 GLY A 1 -3.860 17.632 -46.165 1.00 64.54 H new ATOM 0 HA2 GLY A 1 -1.785 16.618 -44.293 1.00 63.31 H new ATOM 0 HA3 GLY A 1 -2.189 18.304 -44.548 1.00 63.31 H new ATOM 10 N PRO A 2 -4.175 18.328 -42.961 1.00 71.21 N ATOM 11 CA PRO A 2 -5.193 18.332 -41.907 1.00 1.44 C ATOM 12 C PRO A 2 -6.586 17.971 -42.431 1.00 72.44 C ATOM 13 O PRO A 2 -7.417 18.846 -42.688 1.00 54.42 O ATOM 14 CB PRO A 2 -5.154 19.775 -41.382 1.00 51.43 C ATOM 15 CG PRO A 2 -4.700 20.586 -42.550 1.00 23.45 C ATOM 16 CD PRO A 2 -3.767 19.698 -43.339 1.00 11.23 C ATOM 0 HA PRO A 2 -4.991 17.585 -41.140 1.00 1.44 H new ATOM 0 HB2 PRO A 2 -6.135 20.097 -41.033 1.00 51.43 H new ATOM 0 HB3 PRO A 2 -4.468 19.873 -40.540 1.00 51.43 H new ATOM 0 HG2 PRO A 2 -5.547 20.900 -43.159 1.00 23.45 H new ATOM 0 HG3 PRO A 2 -4.191 21.492 -42.221 1.00 23.45 H new ATOM 0 HD2 PRO A 2 -3.869 19.864 -44.411 1.00 11.23 H new ATOM 0 HD3 PRO A 2 -2.724 19.889 -43.085 1.00 11.23 H new ATOM 24 N GLY A 3 -6.823 16.674 -42.618 1.00 40.44 N ATOM 25 CA GLY A 3 -8.151 16.195 -42.977 1.00 52.53 C ATOM 26 C GLY A 3 -9.072 16.175 -41.771 1.00 44.43 C ATOM 27 O GLY A 3 -9.565 15.119 -41.361 1.00 41.21 O ATOM 0 H GLY A 3 -6.117 15.943 -42.527 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -8.575 16.835 -43.751 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -8.077 15.192 -43.398 1.00 52.53 H new ATOM 31 N SER A 4 -9.260 17.347 -41.176 1.00 41.10 N ATOM 32 CA SER A 4 -10.033 17.495 -39.951 1.00 64.44 C ATOM 33 C SER A 4 -11.365 18.195 -40.201 1.00 54.20 C ATOM 34 O SER A 4 -11.675 18.604 -41.323 1.00 10.33 O ATOM 35 CB SER A 4 -9.215 18.287 -38.930 1.00 64.41 C ATOM 36 OG SER A 4 -9.926 18.464 -37.716 1.00 10.53 O ATOM 0 H SER A 4 -8.879 18.224 -41.532 1.00 41.10 H new ATOM 0 HA SER A 4 -10.252 16.499 -39.567 1.00 64.44 H new ATOM 0 HB2 SER A 4 -8.278 17.767 -38.731 1.00 64.41 H new ATOM 0 HB3 SER A 4 -8.957 19.261 -39.346 1.00 64.41 H new ATOM 0 HG SER A 4 -9.301 18.717 -37.005 1.00 10.53 H new ATOM 42 N MET A 5 -12.137 18.329 -39.128 1.00 31.34 N ATOM 43 CA MET A 5 -13.388 19.082 -39.129 1.00 4.33 C ATOM 44 C MET A 5 -13.060 20.556 -38.879 1.00 34.52 C ATOM 45 O MET A 5 -13.828 21.460 -39.218 1.00 40.22 O ATOM 46 CB MET A 5 -14.309 18.529 -38.021 1.00 72.43 C ATOM 47 CG MET A 5 -15.813 18.691 -38.258 1.00 13.45 C ATOM 48 SD MET A 5 -16.374 20.409 -38.260 1.00 24.43 S ATOM 49 CE MET A 5 -16.631 20.683 -40.011 1.00 72.00 C ATOM 0 H MET A 5 -11.911 17.914 -38.224 1.00 31.34 H new ATOM 0 HA MET A 5 -13.902 18.986 -40.085 1.00 4.33 H new ATOM 0 HB2 MET A 5 -14.093 17.468 -37.892 1.00 72.43 H new ATOM 0 HB3 MET A 5 -14.053 19.022 -37.083 1.00 72.43 H new ATOM 0 HG2 MET A 5 -16.072 18.234 -39.213 1.00 13.45 H new ATOM 0 HG3 MET A 5 -16.353 18.144 -37.486 1.00 13.45 H new ATOM 0 HE1 MET A 5 -16.015 21.519 -40.343 1.00 72.00 H new ATOM 0 HE2 MET A 5 -16.353 19.786 -40.564 1.00 72.00 H new ATOM 0 HE3 MET A 5 -17.681 20.911 -40.193 1.00 72.00 H new ATOM 59 N SER A 6 -11.880 20.777 -38.305 1.00 74.20 N ATOM 60 CA SER A 6 -11.415 22.105 -37.933 1.00 0.11 C ATOM 61 C SER A 6 -9.948 22.267 -38.327 1.00 25.10 C ATOM 62 O SER A 6 -9.397 21.449 -39.067 1.00 15.20 O ATOM 63 CB SER A 6 -11.601 22.309 -36.419 1.00 43.50 C ATOM 64 OG SER A 6 -11.251 23.627 -36.022 1.00 53.04 O ATOM 0 H SER A 6 -11.218 20.033 -38.085 1.00 74.20 H new ATOM 0 HA SER A 6 -11.998 22.860 -38.460 1.00 0.11 H new ATOM 0 HB2 SER A 6 -12.638 22.111 -36.149 1.00 43.50 H new ATOM 0 HB3 SER A 6 -10.987 21.590 -35.876 1.00 43.50 H new ATOM 0 HG SER A 6 -11.382 23.723 -35.056 1.00 53.04 H new ATOM 70 N ILE A 7 -9.338 23.342 -37.845 1.00 31.23 N ATOM 71 CA ILE A 7 -7.922 23.619 -38.085 1.00 15.14 C ATOM 72 C ILE A 7 -7.040 22.533 -37.462 1.00 55.21 C ATOM 73 O ILE A 7 -5.983 22.192 -38.001 1.00 65.33 O ATOM 74 CB ILE A 7 -7.522 24.997 -37.497 1.00 4.15 C ATOM 75 CG1 ILE A 7 -8.382 26.116 -38.114 1.00 23.20 C ATOM 76 CG2 ILE A 7 -6.035 25.272 -37.718 1.00 34.01 C ATOM 77 CD1 ILE A 7 -8.120 27.489 -37.529 1.00 34.15 C ATOM 0 H ILE A 7 -9.807 24.047 -37.277 1.00 31.23 H new ATOM 0 HA ILE A 7 -7.770 23.630 -39.164 1.00 15.14 H new ATOM 0 HB ILE A 7 -7.704 24.976 -36.423 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -8.200 26.149 -39.188 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -9.435 25.869 -37.977 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -5.778 26.244 -37.297 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -5.445 24.497 -37.228 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -5.820 25.271 -38.787 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -8.764 28.221 -38.016 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -8.330 27.475 -36.460 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -7.077 27.760 -37.690 1.00 34.15 H new ATOM 89 N ASN A 8 -7.483 22.013 -36.318 1.00 54.12 N ATOM 90 CA ASN A 8 -6.760 20.967 -35.584 1.00 25.44 C ATOM 91 C ASN A 8 -6.484 19.758 -36.479 1.00 50.11 C ATOM 92 O ASN A 8 -7.410 19.034 -36.828 1.00 64.43 O ATOM 93 CB ASN A 8 -7.584 20.505 -34.369 1.00 20.10 C ATOM 94 CG ASN A 8 -7.861 21.611 -33.364 1.00 43.15 C ATOM 95 OD1 ASN A 8 -7.948 22.786 -33.721 1.00 32.04 O ATOM 96 ND2 ASN A 8 -8.026 21.237 -32.104 1.00 53.11 N ATOM 0 H ASN A 8 -8.353 22.303 -35.871 1.00 54.12 H new ATOM 0 HA ASN A 8 -5.812 21.390 -35.253 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -8.533 20.097 -34.718 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -7.054 19.695 -33.868 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -8.233 21.933 -31.388 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -7.946 20.253 -31.850 1.00 53.11 H new ATOM 103 N PRO A 9 -5.212 19.504 -36.851 1.00 24.42 N ATOM 104 CA PRO A 9 -4.857 18.348 -37.688 1.00 34.30 C ATOM 105 C PRO A 9 -5.262 17.040 -37.012 1.00 64.14 C ATOM 106 O PRO A 9 -5.732 16.106 -37.661 1.00 71.44 O ATOM 107 CB PRO A 9 -3.328 18.452 -37.832 1.00 41.24 C ATOM 108 CG PRO A 9 -2.890 19.343 -36.715 1.00 53.41 C ATOM 109 CD PRO A 9 -4.030 20.298 -36.477 1.00 62.43 C ATOM 0 HA PRO A 9 -5.367 18.351 -38.651 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -2.858 17.471 -37.761 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -3.051 18.869 -38.800 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -2.671 18.765 -35.817 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -1.979 19.880 -36.978 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -4.074 20.622 -35.437 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -3.938 21.196 -37.087 1.00 62.43 H new ATOM 117 N PHE A 10 -5.068 17.005 -35.698 1.00 40.41 N ATOM 118 CA PHE A 10 -5.526 15.913 -34.851 1.00 31.52 C ATOM 119 C PHE A 10 -5.292 16.297 -33.396 1.00 72.32 C ATOM 120 O PHE A 10 -4.441 17.148 -33.106 1.00 51.11 O ATOM 121 CB PHE A 10 -4.818 14.586 -35.188 1.00 3.43 C ATOM 122 CG PHE A 10 -3.324 14.581 -34.951 1.00 33.53 C ATOM 123 CD1 PHE A 10 -2.447 15.013 -35.936 1.00 51.51 C ATOM 124 CD2 PHE A 10 -2.796 14.127 -33.746 1.00 15.31 C ATOM 125 CE1 PHE A 10 -1.082 14.995 -35.726 1.00 54.40 C ATOM 126 CE2 PHE A 10 -1.431 14.106 -33.534 1.00 50.24 C ATOM 127 CZ PHE A 10 -0.573 14.541 -34.524 1.00 35.42 C ATOM 0 H PHE A 10 -4.583 17.743 -35.187 1.00 40.41 H new ATOM 0 HA PHE A 10 -6.589 15.751 -35.029 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -5.268 13.790 -34.594 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -5.006 14.347 -36.235 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -2.837 15.368 -36.879 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -3.462 13.787 -32.967 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -0.412 15.336 -36.501 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -1.035 13.750 -32.594 1.00 50.24 H new ATOM 0 HZ PHE A 10 0.494 14.527 -34.360 1.00 35.42 H new ATOM 137 N ASP A 11 -6.052 15.696 -32.493 1.00 1.54 N ATOM 138 CA ASP A 11 -5.961 16.016 -31.069 1.00 3.31 C ATOM 139 C ASP A 11 -5.168 14.935 -30.333 1.00 75.40 C ATOM 140 O ASP A 11 -4.326 14.261 -30.928 1.00 13.31 O ATOM 141 CB ASP A 11 -7.370 16.173 -30.470 1.00 60.33 C ATOM 142 CG ASP A 11 -8.117 17.383 -31.022 1.00 70.42 C ATOM 143 OD1 ASP A 11 -7.628 18.524 -30.850 1.00 63.02 O ATOM 144 OD2 ASP A 11 -9.190 17.199 -31.634 1.00 15.20 O ATOM 0 H ASP A 11 -6.743 14.980 -32.719 1.00 1.54 H new ATOM 0 HA ASP A 11 -5.433 16.962 -30.950 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -7.948 15.272 -30.673 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -7.291 16.264 -29.387 1.00 60.33 H new ATOM 149 N ASP A 12 -5.440 14.761 -29.042 1.00 41.24 N ATOM 150 CA ASP A 12 -4.670 13.830 -28.209 1.00 42.44 C ATOM 151 C ASP A 12 -5.031 12.367 -28.483 1.00 73.54 C ATOM 152 O ASP A 12 -4.725 11.493 -27.672 1.00 63.12 O ATOM 153 CB ASP A 12 -4.874 14.139 -26.719 1.00 5.22 C ATOM 154 CG ASP A 12 -4.341 15.504 -26.318 1.00 31.25 C ATOM 155 OD1 ASP A 12 -3.111 15.647 -26.152 1.00 43.52 O ATOM 156 OD2 ASP A 12 -5.149 16.440 -26.147 1.00 14.35 O ATOM 0 H ASP A 12 -6.186 15.250 -28.547 1.00 41.24 H new ATOM 0 HA ASP A 12 -3.622 13.970 -28.472 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -5.937 14.087 -26.485 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -4.379 13.372 -26.123 1.00 5.22 H new ATOM 161 N ASP A 13 -5.650 12.090 -29.632 1.00 11.11 N ATOM 162 CA ASP A 13 -6.009 10.716 -30.002 1.00 23.12 C ATOM 163 C ASP A 13 -4.743 9.905 -30.267 1.00 30.54 C ATOM 164 O ASP A 13 -4.717 8.686 -30.100 1.00 12.41 O ATOM 165 CB ASP A 13 -6.918 10.702 -31.242 1.00 74.53 C ATOM 166 CG ASP A 13 -6.160 10.919 -32.547 1.00 12.31 C ATOM 167 OD1 ASP A 13 -5.560 12.001 -32.716 1.00 60.13 O ATOM 168 OD2 ASP A 13 -6.161 10.001 -33.404 1.00 73.14 O ATOM 0 H ASP A 13 -5.913 12.794 -30.321 1.00 11.11 H new ATOM 0 HA ASP A 13 -6.558 10.266 -29.175 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -7.443 9.748 -31.289 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -7.676 11.478 -31.137 1.00 74.53 H new ATOM 173 N ASN A 14 -3.697 10.607 -30.690 1.00 10.01 N ATOM 174 CA ASN A 14 -2.381 10.004 -30.915 1.00 44.32 C ATOM 175 C ASN A 14 -1.475 10.188 -29.695 1.00 62.12 C ATOM 176 O ASN A 14 -0.275 9.908 -29.755 1.00 31.00 O ATOM 177 CB ASN A 14 -1.720 10.604 -32.167 1.00 31.51 C ATOM 178 CG ASN A 14 -2.322 10.077 -33.460 1.00 23.43 C ATOM 179 OD1 ASN A 14 -1.852 9.085 -34.019 1.00 1.41 O ATOM 180 ND2 ASN A 14 -3.377 10.720 -33.937 1.00 73.33 N ATOM 0 H ASN A 14 -3.733 11.607 -30.887 1.00 10.01 H new ATOM 0 HA ASN A 14 -2.524 8.935 -31.073 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -1.820 11.689 -32.141 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -0.653 10.382 -32.151 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -3.827 10.397 -34.794 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -3.740 11.538 -33.448 1.00 73.33 H new ATOM 187 N GLY A 15 -2.054 10.635 -28.582 1.00 55.21 N ATOM 188 CA GLY A 15 -1.298 10.787 -27.349 1.00 55.10 C ATOM 189 C GLY A 15 -1.257 9.487 -26.571 1.00 5.11 C ATOM 190 O GLY A 15 -2.229 9.139 -25.900 1.00 2.02 O ATOM 0 H GLY A 15 -3.038 10.896 -28.512 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -0.282 11.109 -27.579 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -1.749 11.567 -26.736 1.00 55.10 H new ATOM 194 N SER A 16 -0.144 8.764 -26.677 1.00 4.14 N ATOM 195 CA SER A 16 -0.011 7.436 -26.076 1.00 63.44 C ATOM 196 C SER A 16 -0.322 7.454 -24.580 1.00 71.32 C ATOM 197 O SER A 16 0.117 8.353 -23.858 1.00 2.12 O ATOM 198 CB SER A 16 1.401 6.891 -26.334 1.00 1.03 C ATOM 199 OG SER A 16 2.388 7.885 -26.104 1.00 70.32 O ATOM 0 H SER A 16 0.687 9.078 -27.178 1.00 4.14 H new ATOM 0 HA SER A 16 -0.742 6.777 -26.544 1.00 63.44 H new ATOM 0 HB2 SER A 16 1.587 6.035 -25.686 1.00 1.03 H new ATOM 0 HB3 SER A 16 1.473 6.535 -27.362 1.00 1.03 H new ATOM 0 HG SER A 16 2.155 8.399 -25.303 1.00 70.32 H new ATOM 205 N PHE A 17 -1.105 6.474 -24.116 1.00 33.31 N ATOM 206 CA PHE A 17 -1.327 6.329 -22.691 1.00 3.42 C ATOM 207 C PHE A 17 -0.035 5.884 -22.031 1.00 71.15 C ATOM 208 O PHE A 17 0.363 4.724 -22.120 1.00 4.05 O ATOM 209 CB PHE A 17 -2.441 5.296 -22.418 1.00 25.25 C ATOM 210 CG PHE A 17 -2.884 5.191 -20.974 1.00 23.11 C ATOM 211 CD1 PHE A 17 -3.266 6.320 -20.263 1.00 74.21 C ATOM 212 CD2 PHE A 17 -2.941 3.958 -20.338 1.00 3.25 C ATOM 213 CE1 PHE A 17 -3.689 6.223 -18.951 1.00 70.22 C ATOM 214 CE2 PHE A 17 -3.365 3.855 -19.027 1.00 25.21 C ATOM 215 CZ PHE A 17 -3.740 4.989 -18.333 1.00 45.40 C ATOM 0 H PHE A 17 -1.582 5.787 -24.700 1.00 33.31 H new ATOM 0 HA PHE A 17 -1.641 7.288 -22.278 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.307 5.550 -23.029 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.094 4.316 -22.747 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -3.232 7.288 -20.742 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -2.650 3.067 -20.875 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -3.979 7.111 -18.410 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -3.403 2.889 -18.545 1.00 25.21 H new ATOM 0 HZ PHE A 17 -4.073 4.911 -17.308 1.00 45.40 H new ATOM 225 N PHE A 18 0.620 6.834 -21.394 1.00 10.51 N ATOM 226 CA PHE A 18 1.728 6.556 -20.511 1.00 50.04 C ATOM 227 C PHE A 18 1.605 7.510 -19.346 1.00 10.14 C ATOM 228 O PHE A 18 1.418 8.713 -19.536 1.00 64.22 O ATOM 229 CB PHE A 18 3.084 6.704 -21.230 1.00 0.03 C ATOM 230 CG PHE A 18 3.411 8.101 -21.708 1.00 53.34 C ATOM 231 CD1 PHE A 18 2.938 8.564 -22.927 1.00 61.11 C ATOM 232 CD2 PHE A 18 4.202 8.947 -20.940 1.00 52.42 C ATOM 233 CE1 PHE A 18 3.245 9.836 -23.368 1.00 74.44 C ATOM 234 CE2 PHE A 18 4.509 10.220 -21.375 1.00 42.02 C ATOM 235 CZ PHE A 18 4.031 10.666 -22.591 1.00 11.54 C ATOM 0 H PHE A 18 0.395 7.825 -21.477 1.00 10.51 H new ATOM 0 HA PHE A 18 1.694 5.522 -20.166 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.873 6.375 -20.554 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.098 6.031 -22.088 1.00 0.03 H new ATOM 0 HD1 PHE A 18 2.322 7.922 -23.539 1.00 61.11 H new ATOM 0 HD2 PHE A 18 4.582 8.603 -19.989 1.00 52.42 H new ATOM 0 HE1 PHE A 18 2.871 10.182 -24.320 1.00 74.44 H new ATOM 0 HE2 PHE A 18 5.122 10.867 -20.765 1.00 42.02 H new ATOM 0 HZ PHE A 18 4.271 11.661 -22.934 1.00 11.54 H new ATOM 245 N VAL A 19 1.700 6.980 -18.144 1.00 64.01 N ATOM 246 CA VAL A 19 1.332 7.730 -16.956 1.00 61.04 C ATOM 247 C VAL A 19 2.049 7.170 -15.724 1.00 43.40 C ATOM 248 O VAL A 19 2.135 5.947 -15.522 1.00 52.44 O ATOM 249 CB VAL A 19 -0.217 7.719 -16.744 1.00 53.32 C ATOM 250 CG1 VAL A 19 -0.924 8.726 -17.663 1.00 65.33 C ATOM 251 CG2 VAL A 19 -0.782 6.324 -17.000 1.00 2.33 C ATOM 0 H VAL A 19 2.029 6.032 -17.962 1.00 64.01 H new ATOM 0 HA VAL A 19 1.645 8.764 -17.098 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.401 8.007 -15.709 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -1.999 8.688 -17.486 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.557 9.731 -17.453 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.719 8.475 -18.704 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -1.861 6.335 -16.848 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -0.563 6.025 -18.025 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -0.326 5.614 -16.310 1.00 2.33 H new ATOM 261 N LEU A 20 2.574 8.075 -14.913 1.00 71.33 N ATOM 262 CA LEU A 20 3.359 7.718 -13.742 1.00 52.24 C ATOM 263 C LEU A 20 2.663 8.210 -12.476 1.00 2.41 C ATOM 264 O LEU A 20 2.234 9.362 -12.399 1.00 61.32 O ATOM 265 CB LEU A 20 4.774 8.321 -13.875 1.00 34.34 C ATOM 266 CG LEU A 20 5.748 8.086 -12.694 1.00 23.03 C ATOM 267 CD1 LEU A 20 7.196 8.143 -13.175 1.00 45.00 C ATOM 268 CD2 LEU A 20 5.535 9.118 -11.585 1.00 31.20 C ATOM 0 H LEU A 20 2.467 9.080 -15.049 1.00 71.33 H new ATOM 0 HA LEU A 20 3.449 6.634 -13.672 1.00 52.24 H new ATOM 0 HB2 LEU A 20 5.232 7.917 -14.778 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.672 9.396 -14.023 1.00 34.34 H new ATOM 0 HG LEU A 20 5.541 7.095 -12.289 1.00 23.03 H new ATOM 0 HD11 LEU A 20 7.866 7.976 -12.332 1.00 45.00 H new ATOM 0 HD12 LEU A 20 7.360 7.372 -13.928 1.00 45.00 H new ATOM 0 HD13 LEU A 20 7.397 9.122 -13.609 1.00 45.00 H new ATOM 0 HD21 LEU A 20 6.233 8.926 -10.770 1.00 31.20 H new ATOM 0 HD22 LEU A 20 5.706 10.119 -11.982 1.00 31.20 H new ATOM 0 HD23 LEU A 20 4.514 9.045 -11.212 1.00 31.20 H new ATOM 280 N VAL A 21 2.540 7.326 -11.495 1.00 52.14 N ATOM 281 CA VAL A 21 1.990 7.684 -10.198 1.00 71.23 C ATOM 282 C VAL A 21 3.123 7.802 -9.182 1.00 12.22 C ATOM 283 O VAL A 21 3.932 6.884 -9.024 1.00 72.33 O ATOM 284 CB VAL A 21 0.959 6.635 -9.708 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.399 7.013 -8.339 1.00 73.44 C ATOM 286 CG2 VAL A 21 -0.167 6.472 -10.725 1.00 14.24 C ATOM 0 H VAL A 21 2.817 6.348 -11.576 1.00 52.14 H new ATOM 0 HA VAL A 21 1.475 8.639 -10.299 1.00 71.23 H new ATOM 0 HB VAL A 21 1.473 5.679 -9.608 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -0.321 6.260 -8.020 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.212 7.067 -7.615 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.094 7.983 -8.403 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.880 5.732 -10.363 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.674 7.427 -10.863 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.248 6.141 -11.677 1.00 14.24 H new ATOM 296 N ASN A 22 3.187 8.942 -8.513 1.00 5.53 N ATOM 297 CA ASN A 22 4.203 9.186 -7.500 1.00 74.14 C ATOM 298 C ASN A 22 3.801 8.512 -6.191 1.00 13.30 C ATOM 299 O ASN A 22 2.669 8.044 -6.049 1.00 42.42 O ATOM 300 CB ASN A 22 4.405 10.692 -7.293 1.00 33.32 C ATOM 301 CG ASN A 22 4.776 11.422 -8.578 1.00 72.42 C ATOM 302 OD1 ASN A 22 3.905 11.871 -9.321 1.00 41.10 O ATOM 303 ND2 ASN A 22 6.067 11.540 -8.849 1.00 14.32 N ATOM 0 H ASN A 22 2.542 9.719 -8.655 1.00 5.53 H new ATOM 0 HA ASN A 22 5.148 8.761 -7.838 1.00 74.14 H new ATOM 0 HB2 ASN A 22 3.490 11.124 -6.887 1.00 33.32 H new ATOM 0 HB3 ASN A 22 5.189 10.850 -6.552 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.368 12.017 -9.699 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.760 11.154 -8.208 1.00 14.32 H new ATOM 310 N ASP A 23 4.726 8.485 -5.236 1.00 70.14 N ATOM 311 CA ASP A 23 4.528 7.780 -3.964 1.00 12.10 C ATOM 312 C ASP A 23 3.217 8.191 -3.295 1.00 71.41 C ATOM 313 O ASP A 23 2.469 7.352 -2.792 1.00 71.12 O ATOM 314 CB ASP A 23 5.705 8.068 -3.020 1.00 34.54 C ATOM 315 CG ASP A 23 5.643 7.255 -1.734 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.966 7.682 -0.777 1.00 24.14 O ATOM 317 OD2 ASP A 23 6.287 6.186 -1.673 1.00 1.54 O ATOM 0 H ASP A 23 5.632 8.948 -5.317 1.00 70.14 H new ATOM 0 HA ASP A 23 4.479 6.712 -4.176 1.00 12.10 H new ATOM 0 HB2 ASP A 23 6.640 7.852 -3.536 1.00 34.54 H new ATOM 0 HB3 ASP A 23 5.715 9.130 -2.773 1.00 34.54 H new ATOM 322 N GLU A 24 2.933 9.482 -3.327 1.00 62.34 N ATOM 323 CA GLU A 24 1.767 10.043 -2.649 1.00 11.53 C ATOM 324 C GLU A 24 0.527 10.036 -3.554 1.00 61.53 C ATOM 325 O GLU A 24 -0.367 10.872 -3.396 1.00 72.22 O ATOM 326 CB GLU A 24 2.100 11.469 -2.195 1.00 73.32 C ATOM 327 CG GLU A 24 3.331 11.544 -1.294 1.00 13.22 C ATOM 328 CD GLU A 24 3.773 12.970 -1.022 1.00 2.14 C ATOM 329 OE1 GLU A 24 4.476 13.555 -1.878 1.00 11.22 O ATOM 330 OE2 GLU A 24 3.419 13.520 0.043 1.00 51.24 O ATOM 0 H GLU A 24 3.499 10.172 -3.821 1.00 62.34 H new ATOM 0 HA GLU A 24 1.530 9.424 -1.784 1.00 11.53 H new ATOM 0 HB2 GLU A 24 2.262 12.094 -3.073 1.00 73.32 H new ATOM 0 HB3 GLU A 24 1.243 11.883 -1.663 1.00 73.32 H new ATOM 0 HG2 GLU A 24 3.114 11.049 -0.348 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.151 10.997 -1.760 1.00 13.22 H new ATOM 337 N GLU A 25 0.480 9.079 -4.492 1.00 62.13 N ATOM 338 CA GLU A 25 -0.650 8.918 -5.420 1.00 0.22 C ATOM 339 C GLU A 25 -0.777 10.111 -6.371 1.00 61.13 C ATOM 340 O GLU A 25 -1.809 10.292 -7.030 1.00 70.13 O ATOM 341 CB GLU A 25 -1.972 8.709 -4.662 1.00 4.34 C ATOM 342 CG GLU A 25 -2.025 7.422 -3.845 1.00 45.50 C ATOM 343 CD GLU A 25 -3.345 7.256 -3.110 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.487 7.818 -2.003 1.00 62.44 O ATOM 345 OE2 GLU A 25 -4.258 6.585 -3.643 1.00 32.12 O ATOM 0 H GLU A 25 1.224 8.395 -4.629 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.444 8.028 -6.014 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -2.134 9.556 -3.996 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.793 8.705 -5.379 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -1.870 6.569 -4.506 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.208 7.419 -3.124 1.00 45.50 H new ATOM 352 N GLN A 26 0.278 10.914 -6.448 1.00 10.22 N ATOM 353 CA GLN A 26 0.315 12.069 -7.341 1.00 54.01 C ATOM 354 C GLN A 26 0.356 11.605 -8.798 1.00 30.13 C ATOM 355 O GLN A 26 1.146 10.732 -9.152 1.00 21.03 O ATOM 356 CB GLN A 26 1.536 12.942 -7.016 1.00 31.13 C ATOM 357 CG GLN A 26 1.740 14.121 -7.963 1.00 12.34 C ATOM 358 CD GLN A 26 3.010 14.905 -7.663 1.00 24.51 C ATOM 359 OE1 GLN A 26 3.989 14.358 -7.153 1.00 3.34 O ATOM 360 NE2 GLN A 26 3.007 16.185 -7.990 1.00 4.44 N ATOM 0 H GLN A 26 1.127 10.785 -5.898 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.586 12.664 -7.195 1.00 54.01 H new ATOM 0 HB2 GLN A 26 1.435 13.322 -5.999 1.00 31.13 H new ATOM 0 HB3 GLN A 26 2.429 12.317 -7.036 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.778 13.755 -8.989 1.00 12.34 H new ATOM 0 HG3 GLN A 26 0.881 14.789 -7.895 1.00 12.34 H new ATOM 0 HE21 GLN A 26 2.177 16.602 -8.411 1.00 4.44 H new ATOM 0 HE22 GLN A 26 3.835 16.756 -7.822 1.00 4.44 H new ATOM 369 N HIS A 27 -0.507 12.172 -9.636 1.00 62.23 N ATOM 370 CA HIS A 27 -0.563 11.801 -11.051 1.00 32.31 C ATOM 371 C HIS A 27 0.367 12.686 -11.877 1.00 32.43 C ATOM 372 O HIS A 27 0.192 13.905 -11.929 1.00 70.43 O ATOM 373 CB HIS A 27 -1.999 11.899 -11.583 1.00 4.31 C ATOM 374 CG HIS A 27 -2.953 10.944 -10.925 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.313 11.155 -10.867 1.00 63.43 N ATOM 376 CD2 HIS A 27 -2.735 9.761 -10.298 1.00 74.11 C ATOM 377 CE1 HIS A 27 -4.888 10.147 -10.235 1.00 60.13 C ATOM 378 NE2 HIS A 27 -3.953 9.288 -9.879 1.00 72.25 N ATOM 0 H HIS A 27 -1.178 12.890 -9.362 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.231 10.767 -11.142 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.361 12.917 -11.440 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -1.993 11.711 -12.657 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -1.779 9.280 -10.155 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.946 10.044 -10.042 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -4.109 8.415 -9.375 1.00 72.25 H new ATOM 387 N SER A 28 1.354 12.065 -12.513 1.00 43.31 N ATOM 388 CA SER A 28 2.335 12.777 -13.330 1.00 70.43 C ATOM 389 C SER A 28 2.729 11.926 -14.544 1.00 3.04 C ATOM 390 O SER A 28 2.165 10.852 -14.767 1.00 45.11 O ATOM 391 CB SER A 28 3.581 13.098 -12.489 1.00 24.32 C ATOM 392 OG SER A 28 3.229 13.686 -11.242 1.00 33.21 O ATOM 0 H SER A 28 1.498 11.056 -12.478 1.00 43.31 H new ATOM 0 HA SER A 28 1.892 13.709 -13.682 1.00 70.43 H new ATOM 0 HB2 SER A 28 4.149 12.184 -12.315 1.00 24.32 H new ATOM 0 HB3 SER A 28 4.230 13.776 -13.042 1.00 24.32 H new ATOM 0 HG SER A 28 3.423 13.056 -10.517 1.00 33.21 H new ATOM 398 N LEU A 29 3.687 12.411 -15.330 1.00 3.41 N ATOM 399 CA LEU A 29 4.255 11.636 -16.432 1.00 62.52 C ATOM 400 C LEU A 29 5.754 11.911 -16.527 1.00 23.32 C ATOM 401 O LEU A 29 6.189 13.060 -16.423 1.00 31.35 O ATOM 402 CB LEU A 29 3.558 11.942 -17.775 1.00 32.03 C ATOM 403 CG LEU A 29 3.618 13.403 -18.271 1.00 23.25 C ATOM 404 CD1 LEU A 29 3.212 13.487 -19.742 1.00 5.44 C ATOM 405 CD2 LEU A 29 2.726 14.313 -17.426 1.00 25.14 C ATOM 0 H LEU A 29 4.089 13.343 -15.224 1.00 3.41 H new ATOM 0 HA LEU A 29 4.090 10.579 -16.224 1.00 62.52 H new ATOM 0 HB2 LEU A 29 4.000 11.304 -18.541 1.00 32.03 H new ATOM 0 HB3 LEU A 29 2.510 11.655 -17.687 1.00 32.03 H new ATOM 0 HG LEU A 29 4.647 13.746 -18.168 1.00 23.25 H new ATOM 0 HD11 LEU A 29 3.260 14.524 -20.074 1.00 5.44 H new ATOM 0 HD12 LEU A 29 3.891 12.882 -20.342 1.00 5.44 H new ATOM 0 HD13 LEU A 29 2.194 13.115 -19.860 1.00 5.44 H new ATOM 0 HD21 LEU A 29 2.790 15.335 -17.800 1.00 25.14 H new ATOM 0 HD22 LEU A 29 1.694 13.968 -17.486 1.00 25.14 H new ATOM 0 HD23 LEU A 29 3.058 14.285 -16.388 1.00 25.14 H new ATOM 417 N TRP A 30 6.537 10.852 -16.700 1.00 23.42 N ATOM 418 CA TRP A 30 7.992 10.961 -16.737 1.00 41.14 C ATOM 419 C TRP A 30 8.457 11.310 -18.150 1.00 34.24 C ATOM 420 O TRP A 30 7.779 10.982 -19.129 1.00 3.43 O ATOM 421 CB TRP A 30 8.637 9.633 -16.286 1.00 13.11 C ATOM 422 CG TRP A 30 8.673 8.572 -17.357 1.00 12.31 C ATOM 423 CD1 TRP A 30 9.772 8.159 -18.058 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.569 7.802 -17.857 1.00 3.12 C ATOM 425 NE1 TRP A 30 9.420 7.187 -18.962 1.00 33.35 N ATOM 426 CE2 TRP A 30 8.075 6.949 -18.860 1.00 25.44 C ATOM 427 CE3 TRP A 30 6.204 7.753 -17.557 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.263 6.060 -19.561 1.00 51.20 C ATOM 429 CZ3 TRP A 30 5.402 6.869 -18.252 1.00 55.34 C ATOM 430 CH2 TRP A 30 5.933 6.035 -19.244 1.00 73.31 C ATOM 0 H TRP A 30 6.186 9.902 -16.818 1.00 23.42 H new ATOM 0 HA TRP A 30 8.300 11.754 -16.056 1.00 41.14 H new ATOM 0 HB2 TRP A 30 9.655 9.831 -15.951 1.00 13.11 H new ATOM 0 HB3 TRP A 30 8.088 9.248 -15.426 1.00 13.11 H new ATOM 0 HD1 TRP A 30 10.772 8.542 -17.921 1.00 71.00 H new ATOM 0 HE1 TRP A 30 10.057 6.718 -19.606 1.00 33.35 H new ATOM 0 HE3 TRP A 30 5.785 8.394 -16.796 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 7.669 5.415 -20.326 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 4.347 6.820 -18.027 1.00 55.34 H new ATOM 0 HH2 TRP A 30 5.277 5.357 -19.770 1.00 73.31 H new ATOM 441 N PRO A 31 9.608 11.992 -18.282 1.00 52.54 N ATOM 442 CA PRO A 31 10.234 12.208 -19.585 1.00 35.33 C ATOM 443 C PRO A 31 10.636 10.868 -20.206 1.00 43.41 C ATOM 444 O PRO A 31 11.605 10.243 -19.775 1.00 35.31 O ATOM 445 CB PRO A 31 11.469 13.072 -19.269 1.00 30.22 C ATOM 446 CG PRO A 31 11.205 13.643 -17.912 1.00 33.12 C ATOM 447 CD PRO A 31 10.375 12.616 -17.190 1.00 24.30 C ATOM 0 HA PRO A 31 9.571 12.689 -20.304 1.00 35.33 H new ATOM 0 HB2 PRO A 31 12.381 12.475 -19.275 1.00 30.22 H new ATOM 0 HB3 PRO A 31 11.599 13.860 -20.010 1.00 30.22 H new ATOM 0 HG2 PRO A 31 12.137 13.836 -17.381 1.00 33.12 H new ATOM 0 HG3 PRO A 31 10.676 14.593 -17.984 1.00 33.12 H new ATOM 0 HD2 PRO A 31 10.996 11.890 -16.665 1.00 24.30 H new ATOM 0 HD3 PRO A 31 9.722 13.073 -16.447 1.00 24.30 H new ATOM 455 N ALA A 32 9.867 10.422 -21.197 1.00 64.13 N ATOM 456 CA ALA A 32 10.070 9.110 -21.821 1.00 5.22 C ATOM 457 C ALA A 32 11.481 8.960 -22.403 1.00 54.03 C ATOM 458 O ALA A 32 11.925 7.850 -22.702 1.00 51.42 O ATOM 459 CB ALA A 32 9.020 8.877 -22.902 1.00 31.45 C ATOM 0 H ALA A 32 9.090 10.953 -21.590 1.00 64.13 H new ATOM 0 HA ALA A 32 9.961 8.354 -21.043 1.00 5.22 H new ATOM 0 HB1 ALA A 32 9.179 7.900 -23.359 1.00 31.45 H new ATOM 0 HB2 ALA A 32 8.026 8.912 -22.457 1.00 31.45 H new ATOM 0 HB3 ALA A 32 9.104 9.652 -23.664 1.00 31.45 H new ATOM 465 N PHE A 33 12.178 10.081 -22.553 1.00 65.24 N ATOM 466 CA PHE A 33 13.531 10.086 -23.104 1.00 41.30 C ATOM 467 C PHE A 33 14.577 9.982 -21.992 1.00 64.43 C ATOM 468 O PHE A 33 15.778 10.085 -22.250 1.00 54.03 O ATOM 469 CB PHE A 33 13.756 11.366 -23.919 1.00 70.23 C ATOM 470 CG PHE A 33 12.746 11.561 -25.022 1.00 14.54 C ATOM 471 CD1 PHE A 33 12.966 11.035 -26.285 1.00 21.21 C ATOM 472 CD2 PHE A 33 11.572 12.265 -24.787 1.00 34.35 C ATOM 473 CE1 PHE A 33 12.038 11.205 -27.292 1.00 25.54 C ATOM 474 CE2 PHE A 33 10.641 12.438 -25.792 1.00 3.51 C ATOM 475 CZ PHE A 33 10.875 11.907 -27.046 1.00 72.43 C ATOM 0 H PHE A 33 11.827 11.004 -22.299 1.00 65.24 H new ATOM 0 HA PHE A 33 13.640 9.219 -23.755 1.00 41.30 H new ATOM 0 HB2 PHE A 33 13.721 12.225 -23.249 1.00 70.23 H new ATOM 0 HB3 PHE A 33 14.756 11.340 -24.353 1.00 70.23 H new ATOM 0 HD1 PHE A 33 13.874 10.486 -26.484 1.00 21.21 H new ATOM 0 HD2 PHE A 33 11.385 12.681 -23.808 1.00 34.35 H new ATOM 0 HE1 PHE A 33 12.221 10.789 -28.272 1.00 25.54 H new ATOM 0 HE2 PHE A 33 9.732 12.987 -25.598 1.00 3.51 H new ATOM 0 HZ PHE A 33 10.148 12.041 -27.834 1.00 72.43 H new ATOM 485 N ALA A 34 14.118 9.766 -20.762 1.00 11.31 N ATOM 486 CA ALA A 34 15.003 9.711 -19.596 1.00 4.15 C ATOM 487 C ALA A 34 14.638 8.541 -18.682 1.00 15.35 C ATOM 488 O ALA A 34 13.693 7.792 -18.956 1.00 1.33 O ATOM 489 CB ALA A 34 14.937 11.027 -18.824 1.00 42.14 C ATOM 0 H ALA A 34 13.132 9.625 -20.544 1.00 11.31 H new ATOM 0 HA ALA A 34 16.022 9.557 -19.950 1.00 4.15 H new ATOM 0 HB1 ALA A 34 15.599 10.975 -17.959 1.00 42.14 H new ATOM 0 HB2 ALA A 34 15.251 11.845 -19.472 1.00 42.14 H new ATOM 0 HB3 ALA A 34 13.915 11.201 -18.489 1.00 42.14 H new ATOM 495 N ASP A 35 15.394 8.400 -17.597 1.00 65.10 N ATOM 496 CA ASP A 35 15.175 7.338 -16.620 1.00 21.44 C ATOM 497 C ASP A 35 14.154 7.784 -15.581 1.00 35.34 C ATOM 498 O ASP A 35 14.158 8.939 -15.148 1.00 10.32 O ATOM 499 CB ASP A 35 16.489 6.954 -15.921 1.00 10.33 C ATOM 500 CG ASP A 35 17.526 6.365 -16.868 1.00 71.31 C ATOM 501 OD1 ASP A 35 18.113 7.128 -17.668 1.00 74.13 O ATOM 502 OD2 ASP A 35 17.773 5.139 -16.808 1.00 62.15 O ATOM 0 H ASP A 35 16.174 9.017 -17.371 1.00 65.10 H new ATOM 0 HA ASP A 35 14.796 6.464 -17.150 1.00 21.44 H new ATOM 0 HB2 ASP A 35 16.908 7.838 -15.439 1.00 10.33 H new ATOM 0 HB3 ASP A 35 16.276 6.232 -15.133 1.00 10.33 H new ATOM 507 N VAL A 36 13.274 6.869 -15.197 1.00 51.02 N ATOM 508 CA VAL A 36 12.265 7.133 -14.173 1.00 14.20 C ATOM 509 C VAL A 36 12.923 7.401 -12.812 1.00 74.22 C ATOM 510 O VAL A 36 13.788 6.633 -12.376 1.00 4.35 O ATOM 511 CB VAL A 36 11.282 5.938 -14.043 1.00 52.15 C ATOM 512 CG1 VAL A 36 10.232 6.202 -12.963 1.00 54.14 C ATOM 513 CG2 VAL A 36 10.617 5.637 -15.390 1.00 3.12 C ATOM 0 H VAL A 36 13.237 5.926 -15.583 1.00 51.02 H new ATOM 0 HA VAL A 36 11.710 8.019 -14.481 1.00 14.20 H new ATOM 0 HB VAL A 36 11.855 5.061 -13.741 1.00 52.15 H new ATOM 0 HG11 VAL A 36 9.558 5.348 -12.895 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.727 6.351 -12.003 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.662 7.095 -13.220 1.00 54.14 H new ATOM 0 HG21 VAL A 36 9.932 4.797 -15.278 1.00 3.12 H new ATOM 0 HG22 VAL A 36 10.064 6.514 -15.727 1.00 3.12 H new ATOM 0 HG23 VAL A 36 11.382 5.386 -16.125 1.00 3.12 H new ATOM 523 N PRO A 37 12.544 8.511 -12.138 1.00 42.20 N ATOM 524 CA PRO A 37 13.033 8.826 -10.788 1.00 21.34 C ATOM 525 C PRO A 37 12.646 7.743 -9.774 1.00 1.14 C ATOM 526 O PRO A 37 11.535 7.204 -9.816 1.00 71.23 O ATOM 527 CB PRO A 37 12.353 10.168 -10.450 1.00 33.33 C ATOM 528 CG PRO A 37 11.954 10.738 -11.771 1.00 74.14 C ATOM 529 CD PRO A 37 11.629 9.555 -12.641 1.00 3.15 C ATOM 0 HA PRO A 37 14.121 8.879 -10.748 1.00 21.34 H new ATOM 0 HB2 PRO A 37 11.487 10.021 -9.805 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.035 10.834 -9.921 1.00 33.33 H new ATOM 0 HG2 PRO A 37 11.092 11.398 -11.669 1.00 74.14 H new ATOM 0 HG3 PRO A 37 12.761 11.331 -12.202 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.585 9.257 -12.544 1.00 3.15 H new ATOM 0 HD3 PRO A 37 11.802 9.770 -13.695 1.00 3.15 H new ATOM 537 N ALA A 38 13.565 7.443 -8.862 1.00 5.25 N ATOM 538 CA ALA A 38 13.378 6.363 -7.900 1.00 34.34 C ATOM 539 C ALA A 38 12.269 6.688 -6.899 1.00 32.33 C ATOM 540 O ALA A 38 12.044 7.851 -6.550 1.00 13.31 O ATOM 541 CB ALA A 38 14.686 6.071 -7.173 1.00 11.05 C ATOM 0 H ALA A 38 14.453 7.937 -8.769 1.00 5.25 H new ATOM 0 HA ALA A 38 13.073 5.473 -8.451 1.00 34.34 H new ATOM 0 HB1 ALA A 38 14.532 5.263 -6.458 1.00 11.05 H new ATOM 0 HB2 ALA A 38 15.446 5.776 -7.896 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.016 6.965 -6.644 1.00 11.05 H new ATOM 547 N GLY A 39 11.567 5.650 -6.458 1.00 34.21 N ATOM 548 CA GLY A 39 10.540 5.806 -5.446 1.00 13.01 C ATOM 549 C GLY A 39 9.143 5.885 -6.028 1.00 60.32 C ATOM 550 O GLY A 39 8.167 5.546 -5.356 1.00 53.32 O ATOM 0 H GLY A 39 11.694 4.693 -6.788 1.00 34.21 H new ATOM 0 HA2 GLY A 39 10.592 4.967 -4.752 1.00 13.01 H new ATOM 0 HA3 GLY A 39 10.739 6.710 -4.870 1.00 13.01 H new ATOM 554 N TRP A 40 9.041 6.332 -7.277 1.00 51.51 N ATOM 555 CA TRP A 40 7.746 6.454 -7.941 1.00 73.43 C ATOM 556 C TRP A 40 7.324 5.107 -8.519 1.00 13.52 C ATOM 557 O TRP A 40 8.017 4.099 -8.346 1.00 74.51 O ATOM 558 CB TRP A 40 7.803 7.498 -9.066 1.00 45.14 C ATOM 559 CG TRP A 40 8.353 8.849 -8.671 1.00 44.13 C ATOM 560 CD1 TRP A 40 8.966 9.735 -9.508 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.347 9.475 -7.368 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.333 10.866 -8.822 1.00 74.20 N ATOM 563 CE2 TRP A 40 8.973 10.731 -7.512 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.883 9.105 -6.099 1.00 32.41 C ATOM 565 CZ2 TRP A 40 9.138 11.612 -6.447 1.00 14.53 C ATOM 566 CZ3 TRP A 40 8.051 9.981 -5.043 1.00 71.15 C ATOM 567 CH2 TRP A 40 8.673 11.221 -5.222 1.00 62.31 C ATOM 0 H TRP A 40 9.837 6.615 -7.848 1.00 51.51 H new ATOM 0 HA TRP A 40 7.015 6.778 -7.200 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.412 7.100 -9.877 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.797 7.636 -9.462 1.00 45.14 H new ATOM 0 HD1 TRP A 40 9.138 9.570 -10.561 1.00 34.43 H new ATOM 0 HE1 TRP A 40 9.800 11.678 -9.226 1.00 74.20 H new ATOM 0 HE3 TRP A 40 7.401 8.150 -5.948 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 9.616 12.571 -6.583 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 7.696 9.703 -4.062 1.00 71.15 H new ATOM 0 HH2 TRP A 40 8.788 11.883 -4.376 1.00 62.31 H new ATOM 578 N ARG A 41 6.185 5.089 -9.198 1.00 24.31 N ATOM 579 CA ARG A 41 5.741 3.905 -9.917 1.00 20.05 C ATOM 580 C ARG A 41 5.009 4.312 -11.190 1.00 55.23 C ATOM 581 O ARG A 41 4.065 5.098 -11.150 1.00 13.03 O ATOM 582 CB ARG A 41 4.812 3.045 -9.047 1.00 53.34 C ATOM 583 CG ARG A 41 4.331 1.778 -9.750 1.00 52.42 C ATOM 584 CD ARG A 41 3.241 1.057 -8.970 1.00 12.34 C ATOM 585 NE ARG A 41 2.792 -0.142 -9.681 1.00 63.22 N ATOM 586 CZ ARG A 41 1.607 -0.271 -10.277 1.00 44.45 C ATOM 587 NH1 ARG A 41 0.674 0.666 -10.144 1.00 42.12 N ATOM 588 NH2 ARG A 41 1.343 -1.360 -10.988 1.00 31.14 N ATOM 0 H ARG A 41 5.550 5.885 -9.265 1.00 24.31 H new ATOM 0 HA ARG A 41 6.622 3.316 -10.172 1.00 20.05 H new ATOM 0 HB2 ARG A 41 5.335 2.768 -8.132 1.00 53.34 H new ATOM 0 HB3 ARG A 41 3.947 3.640 -8.752 1.00 53.34 H new ATOM 0 HG2 ARG A 41 3.955 2.036 -10.740 1.00 52.42 H new ATOM 0 HG3 ARG A 41 5.175 1.104 -9.896 1.00 52.42 H new ATOM 0 HD2 ARG A 41 3.616 0.781 -7.985 1.00 12.34 H new ATOM 0 HD3 ARG A 41 2.397 1.728 -8.813 1.00 12.34 H new ATOM 0 HE ARG A 41 3.432 -0.935 -9.723 1.00 63.22 H new ATOM 0 HH11 ARG A 41 0.861 1.496 -9.581 1.00 42.12 H new ATOM 0 HH12 ARG A 41 -0.229 0.556 -10.605 1.00 42.12 H new ATOM 0 HH21 ARG A 41 2.046 -2.094 -11.077 1.00 31.14 H new ATOM 0 HH22 ARG A 41 0.437 -1.463 -11.446 1.00 31.14 H new ATOM 602 N VAL A 42 5.443 3.773 -12.317 1.00 41.41 N ATOM 603 CA VAL A 42 4.755 3.991 -13.584 1.00 54.33 C ATOM 604 C VAL A 42 3.550 3.055 -13.671 1.00 41.04 C ATOM 605 O VAL A 42 3.701 1.839 -13.553 1.00 60.22 O ATOM 606 CB VAL A 42 5.702 3.746 -14.787 1.00 3.04 C ATOM 607 CG1 VAL A 42 4.990 4.025 -16.104 1.00 41.04 C ATOM 608 CG2 VAL A 42 6.965 4.600 -14.665 1.00 13.44 C ATOM 0 H VAL A 42 6.270 3.180 -12.383 1.00 41.41 H new ATOM 0 HA VAL A 42 4.423 5.028 -13.625 1.00 54.33 H new ATOM 0 HB VAL A 42 5.997 2.697 -14.776 1.00 3.04 H new ATOM 0 HG11 VAL A 42 5.675 3.846 -16.933 1.00 41.04 H new ATOM 0 HG12 VAL A 42 4.127 3.366 -16.198 1.00 41.04 H new ATOM 0 HG13 VAL A 42 4.658 5.063 -16.125 1.00 41.04 H new ATOM 0 HG21 VAL A 42 7.615 4.412 -15.519 1.00 13.44 H new ATOM 0 HG22 VAL A 42 6.690 5.655 -14.643 1.00 13.44 H new ATOM 0 HG23 VAL A 42 7.491 4.343 -13.746 1.00 13.44 H new ATOM 618 N VAL A 43 2.357 3.614 -13.866 1.00 12.04 N ATOM 619 CA VAL A 43 1.137 2.804 -13.872 1.00 4.12 C ATOM 620 C VAL A 43 0.854 2.289 -15.286 1.00 0.32 C ATOM 621 O VAL A 43 0.125 1.316 -15.476 1.00 14.03 O ATOM 622 CB VAL A 43 -0.081 3.582 -13.293 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.355 4.857 -14.075 1.00 51.05 C ATOM 624 CG2 VAL A 43 -1.329 2.698 -13.226 1.00 73.33 C ATOM 0 H VAL A 43 2.208 4.611 -14.020 1.00 12.04 H new ATOM 0 HA VAL A 43 1.297 1.947 -13.217 1.00 4.12 H new ATOM 0 HB VAL A 43 0.177 3.871 -12.274 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.212 5.373 -13.641 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.520 5.506 -14.031 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -0.569 4.607 -15.114 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -2.160 3.272 -12.817 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -1.584 2.353 -14.228 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -1.132 1.839 -12.585 1.00 73.33 H new ATOM 634 N HIS A 44 1.463 2.944 -16.274 1.00 64.55 N ATOM 635 CA HIS A 44 1.442 2.472 -17.656 1.00 44.42 C ATOM 636 C HIS A 44 2.628 3.071 -18.404 1.00 73.35 C ATOM 637 O HIS A 44 2.768 4.295 -18.469 1.00 2.12 O ATOM 638 CB HIS A 44 0.124 2.837 -18.355 1.00 33.41 C ATOM 639 CG HIS A 44 -0.096 2.096 -19.645 1.00 64.22 C ATOM 640 ND1 HIS A 44 0.516 2.199 -20.848 1.00 63.31 N flip ATOM 641 CD2 HIS A 44 -1.052 1.113 -19.792 1.00 24.33 C flip ATOM 642 CE1 HIS A 44 -0.074 1.288 -21.687 1.00 61.35 C flip ATOM 643 NE2 HIS A 44 -1.015 0.646 -21.025 1.00 12.24 N flip ATOM 0 H HIS A 44 1.982 3.812 -16.139 1.00 64.55 H new ATOM 0 HA HIS A 44 1.517 1.385 -17.657 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -0.706 2.629 -17.680 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.112 3.909 -18.554 1.00 33.41 H new ATOM 0 HD1 HIS A 44 1.276 2.836 -21.087 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -1.726 0.778 -19.018 1.00 24.33 H new ATOM 0 HE1 HIS A 44 0.190 1.124 -22.721 1.00 61.35 H new ATOM 652 N GLY A 45 3.479 2.210 -18.956 1.00 42.11 N ATOM 653 CA GLY A 45 4.708 2.663 -19.589 1.00 12.53 C ATOM 654 C GLY A 45 4.493 3.178 -20.998 1.00 61.03 C ATOM 655 O GLY A 45 3.362 3.201 -21.488 1.00 13.13 O ATOM 0 H GLY A 45 3.339 1.200 -18.976 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.153 3.453 -18.983 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.422 1.840 -19.614 1.00 12.53 H new ATOM 659 N GLU A 46 5.583 3.597 -21.642 1.00 70.20 N ATOM 660 CA GLU A 46 5.547 4.077 -23.024 1.00 12.32 C ATOM 661 C GLU A 46 4.885 3.029 -23.920 1.00 41.42 C ATOM 662 O GLU A 46 5.156 1.831 -23.780 1.00 12.04 O ATOM 663 CB GLU A 46 6.972 4.384 -23.504 1.00 10.22 C ATOM 664 CG GLU A 46 7.061 4.831 -24.957 1.00 43.31 C ATOM 665 CD GLU A 46 6.342 6.147 -25.231 1.00 74.34 C ATOM 666 OE1 GLU A 46 5.106 6.128 -25.430 1.00 62.12 O ATOM 667 OE2 GLU A 46 7.016 7.199 -25.269 1.00 5.12 O ATOM 0 H GLU A 46 6.512 3.613 -21.222 1.00 70.20 H new ATOM 0 HA GLU A 46 4.960 4.994 -23.076 1.00 12.32 H new ATOM 0 HB2 GLU A 46 7.397 5.162 -22.870 1.00 10.22 H new ATOM 0 HB3 GLU A 46 7.587 3.494 -23.372 1.00 10.22 H new ATOM 0 HG2 GLU A 46 8.110 4.934 -25.234 1.00 43.31 H new ATOM 0 HG3 GLU A 46 6.638 4.055 -25.595 1.00 43.31 H new ATOM 674 N ALA A 47 4.040 3.467 -24.851 1.00 23.10 N ATOM 675 CA ALA A 47 3.167 2.539 -25.564 1.00 63.51 C ATOM 676 C ALA A 47 2.829 2.979 -26.994 1.00 73.41 C ATOM 677 O ALA A 47 3.304 4.008 -27.486 1.00 62.32 O ATOM 678 CB ALA A 47 1.897 2.346 -24.756 1.00 61.02 C ATOM 0 H ALA A 47 3.942 4.444 -25.126 1.00 23.10 H new ATOM 0 HA ALA A 47 3.710 1.599 -25.669 1.00 63.51 H new ATOM 0 HB1 ALA A 47 1.235 1.654 -25.278 1.00 61.02 H new ATOM 0 HB2 ALA A 47 2.147 1.939 -23.776 1.00 61.02 H new ATOM 0 HB3 ALA A 47 1.395 3.306 -24.633 1.00 61.02 H new ATOM 684 N ASP A 48 1.997 2.160 -27.644 1.00 43.44 N ATOM 685 CA ASP A 48 1.599 2.332 -29.049 1.00 51.31 C ATOM 686 C ASP A 48 0.317 3.177 -29.174 1.00 41.22 C ATOM 687 O ASP A 48 -0.298 3.549 -28.164 1.00 41.42 O ATOM 688 CB ASP A 48 1.402 0.931 -29.671 1.00 34.15 C ATOM 689 CG ASP A 48 0.742 0.947 -31.043 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.349 1.471 -31.997 1.00 61.52 O ATOM 691 OD2 ASP A 48 -0.395 0.439 -31.167 1.00 44.10 O ATOM 0 H ASP A 48 1.572 1.344 -27.203 1.00 43.44 H new ATOM 0 HA ASP A 48 2.381 2.871 -29.584 1.00 51.31 H new ATOM 0 HB2 ASP A 48 2.373 0.442 -29.752 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.796 0.327 -28.995 1.00 34.15 H new ATOM 696 N ARG A 49 -0.087 3.487 -30.414 1.00 53.53 N ATOM 697 CA ARG A 49 -1.305 4.257 -30.649 1.00 35.31 C ATOM 698 C ARG A 49 -2.518 3.563 -30.039 1.00 63.41 C ATOM 699 O ARG A 49 -3.493 4.217 -29.700 1.00 64.05 O ATOM 700 CB ARG A 49 -1.571 4.529 -32.135 1.00 64.50 C ATOM 701 CG ARG A 49 -2.748 5.489 -32.341 1.00 25.32 C ATOM 702 CD ARG A 49 -3.070 5.730 -33.805 1.00 61.13 C ATOM 703 NE ARG A 49 -4.110 6.749 -33.967 1.00 44.12 N ATOM 704 CZ ARG A 49 -4.953 6.806 -34.997 1.00 64.24 C ATOM 705 NH1 ARG A 49 -4.909 5.879 -35.946 1.00 24.55 N ATOM 706 NH2 ARG A 49 -5.840 7.793 -35.076 1.00 74.33 N ATOM 0 H ARG A 49 0.412 3.216 -31.261 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.144 5.219 -30.162 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.676 4.950 -32.593 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.777 3.588 -32.645 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -3.630 5.086 -31.843 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -2.520 6.442 -31.864 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -2.168 6.043 -34.330 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -3.398 4.798 -34.264 1.00 61.13 H new ATOM 0 HE ARG A 49 -4.194 7.462 -33.243 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -4.229 5.121 -35.887 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -5.555 5.925 -36.734 1.00 24.55 H new ATOM 0 HH21 ARG A 49 -5.875 8.507 -34.348 1.00 74.33 H new ATOM 0 HH22 ARG A 49 -6.485 7.837 -35.865 1.00 74.33 H new ATOM 720 N ALA A 50 -2.471 2.241 -29.927 1.00 72.03 N ATOM 721 CA ALA A 50 -3.528 1.510 -29.230 1.00 51.03 C ATOM 722 C ALA A 50 -3.708 2.096 -27.830 1.00 12.03 C ATOM 723 O ALA A 50 -4.830 2.289 -27.357 1.00 12.24 O ATOM 724 CB ALA A 50 -3.206 0.021 -29.164 1.00 12.12 C ATOM 0 H ALA A 50 -1.724 1.657 -30.303 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.462 1.616 -29.782 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.007 -0.502 -28.641 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.113 -0.376 -30.175 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.268 -0.125 -28.629 1.00 12.12 H new ATOM 730 N ALA A 51 -2.582 2.403 -27.192 1.00 52.32 N ATOM 731 CA ALA A 51 -2.575 3.056 -25.890 1.00 4.44 C ATOM 732 C ALA A 51 -2.907 4.539 -26.020 1.00 42.22 C ATOM 733 O ALA A 51 -3.433 5.147 -25.094 1.00 11.11 O ATOM 734 CB ALA A 51 -1.235 2.872 -25.204 1.00 13.05 C ATOM 0 H ALA A 51 -1.652 2.206 -27.563 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.345 2.587 -25.277 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.252 3.368 -24.233 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.040 1.809 -25.065 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.448 3.307 -25.820 1.00 13.05 H new ATOM 740 N CYS A 52 -2.533 5.145 -27.141 1.00 32.44 N ATOM 741 CA CYS A 52 -2.962 6.520 -27.427 1.00 51.42 C ATOM 742 C CYS A 52 -4.488 6.625 -27.355 1.00 23.32 C ATOM 743 O CYS A 52 -5.045 7.424 -26.599 1.00 3.22 O ATOM 744 CB CYS A 52 -2.466 6.968 -28.806 1.00 61.32 C ATOM 745 SG CYS A 52 -0.672 6.846 -29.025 1.00 33.32 S ATOM 0 H CYS A 52 -1.945 4.721 -27.858 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.527 7.178 -26.675 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -2.956 6.364 -29.570 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -2.772 8.001 -28.972 1.00 61.32 H new ATOM 0 HG CYS A 52 -0.194 8.011 -29.349 1.00 33.32 H new ATOM 751 N LEU A 53 -5.144 5.777 -28.131 1.00 43.35 N ATOM 752 CA LEU A 53 -6.596 5.700 -28.177 1.00 74.32 C ATOM 753 C LEU A 53 -7.154 5.237 -26.825 1.00 2.01 C ATOM 754 O LEU A 53 -8.324 5.464 -26.509 1.00 41.12 O ATOM 755 CB LEU A 53 -7.026 4.749 -29.307 1.00 44.01 C ATOM 756 CG LEU A 53 -6.567 5.155 -30.728 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.036 4.128 -31.757 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.085 6.546 -31.084 1.00 15.11 C ATOM 0 H LEU A 53 -4.679 5.116 -28.753 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.002 6.691 -28.381 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -6.638 3.754 -29.089 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.113 4.675 -29.302 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.477 5.182 -30.741 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -6.704 4.430 -32.750 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -6.615 3.152 -31.515 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.124 4.068 -31.741 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -6.751 6.813 -32.087 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.175 6.548 -31.052 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -6.699 7.272 -30.368 1.00 15.11 H new ATOM 770 N GLU A 54 -6.317 4.551 -26.051 1.00 54.41 N ATOM 771 CA GLU A 54 -6.690 4.084 -24.715 1.00 14.33 C ATOM 772 C GLU A 54 -6.780 5.253 -23.721 1.00 52.22 C ATOM 773 O GLU A 54 -7.785 5.397 -23.030 1.00 22.30 O ATOM 774 CB GLU A 54 -5.679 3.034 -24.228 1.00 0.25 C ATOM 775 CG GLU A 54 -5.923 2.526 -22.811 1.00 41.53 C ATOM 776 CD GLU A 54 -4.959 1.417 -22.415 1.00 73.12 C ATOM 777 OE1 GLU A 54 -3.731 1.630 -22.484 1.00 65.32 O ATOM 778 OE2 GLU A 54 -5.425 0.314 -22.048 1.00 55.44 O ATOM 0 H GLU A 54 -5.367 4.304 -26.328 1.00 54.41 H new ATOM 0 HA GLU A 54 -7.677 3.626 -24.774 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.698 2.186 -24.912 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -4.678 3.462 -24.279 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -5.826 3.355 -22.110 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -6.946 2.159 -22.731 1.00 41.53 H new ATOM 785 N TYR A 55 -5.745 6.097 -23.679 1.00 63.34 N ATOM 786 CA TYR A 55 -5.670 7.208 -22.709 1.00 53.30 C ATOM 787 C TYR A 55 -6.929 8.083 -22.740 1.00 12.43 C ATOM 788 O TYR A 55 -7.436 8.494 -21.692 1.00 25.40 O ATOM 789 CB TYR A 55 -4.385 8.038 -22.954 1.00 54.33 C ATOM 790 CG TYR A 55 -4.493 9.537 -22.717 1.00 33.53 C ATOM 791 CD1 TYR A 55 -4.359 10.074 -21.440 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.691 10.419 -23.780 1.00 54.33 C ATOM 793 CE1 TYR A 55 -4.422 11.439 -21.230 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.761 11.784 -23.572 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.624 12.288 -22.297 1.00 71.24 C ATOM 796 OH TYR A 55 -4.679 13.650 -22.085 1.00 1.32 O ATOM 0 H TYR A 55 -4.942 6.037 -24.305 1.00 63.34 H new ATOM 0 HA TYR A 55 -5.619 6.783 -21.707 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -3.597 7.646 -22.311 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.065 7.877 -23.984 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -4.203 9.414 -20.600 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.791 10.029 -24.782 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -4.313 11.839 -20.233 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -4.922 12.452 -24.405 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.799 13.828 -21.129 1.00 1.32 H new ATOM 806 N ILE A 56 -7.440 8.355 -23.937 1.00 72.14 N ATOM 807 CA ILE A 56 -8.669 9.134 -24.080 1.00 54.34 C ATOM 808 C ILE A 56 -9.881 8.338 -23.585 1.00 35.30 C ATOM 809 O ILE A 56 -10.774 8.885 -22.928 1.00 14.25 O ATOM 810 CB ILE A 56 -8.900 9.588 -25.550 1.00 50.34 C ATOM 811 CG1 ILE A 56 -10.273 10.271 -25.700 1.00 13.53 C ATOM 812 CG2 ILE A 56 -8.770 8.414 -26.518 1.00 54.41 C ATOM 813 CD1 ILE A 56 -10.607 10.671 -27.123 1.00 32.34 C ATOM 0 H ILE A 56 -7.026 8.050 -24.818 1.00 72.14 H new ATOM 0 HA ILE A 56 -8.553 10.026 -23.465 1.00 54.34 H new ATOM 0 HB ILE A 56 -8.127 10.314 -25.801 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -11.046 9.596 -25.332 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -10.297 11.159 -25.068 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -8.937 8.763 -27.537 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.770 7.987 -26.440 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -9.510 7.654 -26.269 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -11.588 11.145 -27.147 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -9.857 11.371 -27.490 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -10.617 9.785 -27.757 1.00 32.34 H new ATOM 825 N GLU A 57 -9.888 7.040 -23.874 1.00 31.32 N ATOM 826 CA GLU A 57 -11.020 6.173 -23.548 1.00 13.01 C ATOM 827 C GLU A 57 -11.104 5.929 -22.040 1.00 51.21 C ATOM 828 O GLU A 57 -12.193 5.821 -21.479 1.00 71.31 O ATOM 829 CB GLU A 57 -10.887 4.841 -24.302 1.00 52.35 C ATOM 830 CG GLU A 57 -12.106 3.931 -24.180 1.00 14.33 C ATOM 831 CD GLU A 57 -11.936 2.614 -24.926 1.00 72.01 C ATOM 832 OE1 GLU A 57 -11.882 2.637 -26.174 1.00 43.21 O ATOM 833 OE2 GLU A 57 -11.865 1.552 -24.270 1.00 53.13 O ATOM 0 H GLU A 57 -9.116 6.561 -24.337 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.940 6.668 -23.859 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -10.707 5.049 -25.357 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.012 4.310 -23.928 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -12.296 3.725 -23.127 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -12.982 4.452 -24.566 1.00 14.33 H new ATOM 840 N GLU A 58 -9.942 5.868 -21.397 1.00 12.22 N ATOM 841 CA GLU A 58 -9.847 5.618 -19.959 1.00 60.15 C ATOM 842 C GLU A 58 -10.420 6.777 -19.147 1.00 33.10 C ATOM 843 O GLU A 58 -10.647 6.642 -17.941 1.00 31.32 O ATOM 844 CB GLU A 58 -8.389 5.344 -19.556 1.00 74.11 C ATOM 845 CG GLU A 58 -7.816 4.069 -20.170 1.00 63.14 C ATOM 846 CD GLU A 58 -8.619 2.826 -19.807 1.00 0.13 C ATOM 847 OE1 GLU A 58 -9.671 2.578 -20.437 1.00 74.42 O ATOM 848 OE2 GLU A 58 -8.204 2.087 -18.889 1.00 52.44 O ATOM 0 H GLU A 58 -9.039 5.990 -21.856 1.00 12.22 H new ATOM 0 HA GLU A 58 -10.445 4.734 -19.737 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -7.772 6.191 -19.856 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -8.328 5.274 -18.470 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -7.788 4.174 -21.255 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -6.786 3.941 -19.836 1.00 63.14 H new ATOM 855 N HIS A 59 -10.634 7.910 -19.818 1.00 11.51 N ATOM 856 CA HIS A 59 -11.118 9.136 -19.180 1.00 45.14 C ATOM 857 C HIS A 59 -9.991 9.786 -18.387 1.00 52.43 C ATOM 858 O HIS A 59 -9.965 9.752 -17.156 1.00 13.30 O ATOM 859 CB HIS A 59 -12.359 8.875 -18.294 1.00 40.10 C ATOM 860 CG HIS A 59 -12.795 10.057 -17.468 1.00 63.15 C ATOM 861 ND1 HIS A 59 -12.806 10.047 -16.088 1.00 32.20 N ATOM 862 CD2 HIS A 59 -13.238 11.287 -17.831 1.00 71.52 C ATOM 863 CE1 HIS A 59 -13.232 11.213 -15.643 1.00 40.20 C ATOM 864 NE2 HIS A 59 -13.501 11.985 -16.678 1.00 25.42 N ATOM 0 H HIS A 59 -10.476 8.004 -20.821 1.00 11.51 H new ATOM 0 HA HIS A 59 -11.437 9.825 -19.962 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -13.188 8.568 -18.932 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -12.145 8.040 -17.627 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -13.361 11.650 -18.841 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -13.342 11.489 -14.605 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -13.847 12.943 -16.630 1.00 25.42 H new ATOM 873 N TRP A 60 -9.035 10.346 -19.122 1.00 72.13 N ATOM 874 CA TRP A 60 -7.907 11.051 -18.526 1.00 71.34 C ATOM 875 C TRP A 60 -7.469 12.257 -19.400 1.00 40.15 C ATOM 876 O TRP A 60 -6.327 12.707 -19.287 1.00 70.12 O ATOM 877 CB TRP A 60 -6.737 10.056 -18.367 1.00 31.04 C ATOM 878 CG TRP A 60 -5.905 10.257 -17.132 1.00 11.01 C ATOM 879 CD1 TRP A 60 -5.238 11.387 -16.756 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.637 9.280 -16.118 1.00 62.15 C ATOM 881 NE1 TRP A 60 -4.585 11.177 -15.567 1.00 64.53 N ATOM 882 CE2 TRP A 60 -4.810 9.889 -15.157 1.00 60.21 C ATOM 883 CE3 TRP A 60 -6.021 7.948 -15.932 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.361 9.214 -14.025 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -5.575 7.278 -14.809 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.753 7.910 -13.866 1.00 3.21 C ATOM 0 H TRP A 60 -9.021 10.324 -20.142 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.205 11.444 -17.554 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -7.139 9.043 -18.357 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -6.090 10.134 -19.241 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -5.226 12.312 -17.313 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -4.023 11.868 -15.069 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -6.654 7.452 -16.653 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -3.727 9.700 -13.298 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -5.865 6.249 -14.655 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -4.422 7.359 -12.998 1.00 3.21 H new ATOM 897 N PRO A 61 -8.357 12.843 -20.257 1.00 53.15 N ATOM 898 CA PRO A 61 -7.939 13.852 -21.230 1.00 60.42 C ATOM 899 C PRO A 61 -7.977 15.270 -20.659 1.00 63.32 C ATOM 900 O PRO A 61 -8.924 15.644 -19.961 1.00 74.04 O ATOM 901 CB PRO A 61 -8.979 13.681 -22.339 1.00 23.13 C ATOM 902 CG PRO A 61 -10.238 13.321 -21.612 1.00 54.12 C ATOM 903 CD PRO A 61 -9.823 12.642 -20.321 1.00 12.01 C ATOM 0 HA PRO A 61 -6.907 13.721 -21.557 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -9.101 14.598 -22.915 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -8.687 12.900 -23.041 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -10.833 14.211 -21.406 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -10.856 12.657 -22.216 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -10.323 13.085 -19.460 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -10.079 11.583 -20.328 1.00 12.01 H new ATOM 911 N ASP A 62 -6.946 16.049 -20.957 1.00 32.11 N ATOM 912 CA ASP A 62 -6.877 17.441 -20.517 1.00 14.31 C ATOM 913 C ASP A 62 -7.793 18.305 -21.381 1.00 34.34 C ATOM 914 O ASP A 62 -8.558 19.125 -20.868 1.00 74.44 O ATOM 915 CB ASP A 62 -5.431 17.955 -20.587 1.00 44.51 C ATOM 916 CG ASP A 62 -5.313 19.424 -20.205 1.00 24.42 C ATOM 917 OD1 ASP A 62 -5.527 19.756 -19.020 1.00 61.41 O ATOM 918 OD2 ASP A 62 -5.007 20.251 -21.091 1.00 14.01 O ATOM 0 H ASP A 62 -6.142 15.742 -21.504 1.00 32.11 H new ATOM 0 HA ASP A 62 -7.211 17.500 -19.481 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -4.805 17.359 -19.923 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -5.048 17.814 -21.598 1.00 44.51 H new ATOM 923 N ILE A 63 -7.722 18.092 -22.694 1.00 0.00 N ATOM 924 CA ILE A 63 -8.564 18.805 -23.656 1.00 44.50 C ATOM 925 C ILE A 63 -9.465 17.817 -24.394 1.00 32.32 C ATOM 926 O ILE A 63 -8.999 16.772 -24.858 1.00 13.12 O ATOM 927 CB ILE A 63 -7.716 19.585 -24.699 1.00 41.40 C ATOM 928 CG1 ILE A 63 -6.806 20.611 -24.000 1.00 23.02 C ATOM 929 CG2 ILE A 63 -8.619 20.275 -25.729 1.00 3.52 C ATOM 930 CD1 ILE A 63 -5.966 21.437 -24.951 1.00 43.03 C ATOM 0 H ILE A 63 -7.082 17.423 -23.121 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.165 19.520 -23.094 1.00 44.50 H new ATOM 0 HB ILE A 63 -7.084 18.870 -25.227 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -7.423 21.281 -23.401 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -6.145 20.085 -23.311 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -8.004 20.815 -26.449 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -9.215 19.526 -26.251 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -9.281 20.976 -25.221 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -5.353 22.136 -24.382 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -5.321 20.778 -25.532 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -6.619 21.992 -25.624 1.00 43.03 H new ATOM 942 N ARG A 64 -10.751 18.143 -24.494 1.00 63.13 N ATOM 943 CA ARG A 64 -11.701 17.303 -25.215 1.00 42.30 C ATOM 944 C ARG A 64 -11.442 17.386 -26.724 1.00 24.20 C ATOM 945 O ARG A 64 -11.452 18.478 -27.298 1.00 71.42 O ATOM 946 CB ARG A 64 -13.148 17.718 -24.893 1.00 5.01 C ATOM 947 CG ARG A 64 -13.466 19.180 -25.199 1.00 72.23 C ATOM 948 CD ARG A 64 -14.930 19.508 -24.921 1.00 23.51 C ATOM 949 NE ARG A 64 -15.304 19.235 -23.530 1.00 24.12 N ATOM 950 CZ ARG A 64 -16.448 19.626 -22.966 1.00 51.34 C ATOM 951 NH1 ARG A 64 -17.347 20.313 -23.659 1.00 21.41 N ATOM 952 NH2 ARG A 64 -16.694 19.322 -21.699 1.00 1.45 N ATOM 0 H ARG A 64 -11.159 18.983 -24.084 1.00 63.13 H new ATOM 0 HA ARG A 64 -11.564 16.271 -24.893 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -13.830 17.084 -25.460 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -13.341 17.530 -23.837 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -12.827 19.825 -24.596 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -13.237 19.391 -26.244 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -15.114 20.559 -25.145 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -15.564 18.924 -25.587 1.00 23.51 H new ATOM 0 HE ARG A 64 -14.645 18.711 -22.955 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -17.167 20.548 -24.635 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -18.218 20.606 -23.216 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -16.010 18.791 -21.160 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -17.567 19.619 -21.264 1.00 1.45 H new ATOM 966 N PRO A 65 -11.176 16.240 -27.380 1.00 13.42 N ATOM 967 CA PRO A 65 -10.935 16.194 -28.827 1.00 21.15 C ATOM 968 C PRO A 65 -12.120 16.732 -29.627 1.00 52.11 C ATOM 969 O PRO A 65 -13.278 16.428 -29.322 1.00 62.12 O ATOM 970 CB PRO A 65 -10.720 14.698 -29.116 1.00 31.52 C ATOM 971 CG PRO A 65 -10.323 14.116 -27.804 1.00 32.30 C ATOM 972 CD PRO A 65 -11.075 14.904 -26.767 1.00 31.11 C ATOM 0 HA PRO A 65 -10.089 16.817 -29.117 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -11.629 14.233 -29.497 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -9.945 14.547 -29.868 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -10.577 13.057 -27.752 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -9.247 14.193 -27.651 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -12.057 14.476 -26.567 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -10.541 14.934 -25.817 1.00 31.11 H new ATOM 980 N LYS A 66 -11.824 17.531 -30.643 1.00 32.35 N ATOM 981 CA LYS A 66 -12.851 18.136 -31.485 1.00 12.54 C ATOM 982 C LYS A 66 -12.614 17.787 -32.954 1.00 64.54 C ATOM 983 O LYS A 66 -13.370 18.205 -33.835 1.00 64.34 O ATOM 984 CB LYS A 66 -12.865 19.660 -31.278 1.00 13.42 C ATOM 985 CG LYS A 66 -11.527 20.339 -31.570 1.00 20.12 C ATOM 986 CD LYS A 66 -11.512 21.794 -31.100 1.00 14.20 C ATOM 987 CE LYS A 66 -12.559 22.645 -31.814 1.00 34.20 C ATOM 988 NZ LYS A 66 -12.624 24.024 -31.259 1.00 63.22 N ATOM 0 H LYS A 66 -10.870 17.778 -30.907 1.00 32.35 H new ATOM 0 HA LYS A 66 -13.824 17.737 -31.199 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -13.630 20.097 -31.920 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -13.152 19.874 -30.249 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -10.726 19.790 -31.076 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -11.327 20.301 -32.641 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -11.691 21.828 -30.025 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -10.523 22.219 -31.272 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -12.325 22.692 -32.878 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -13.536 22.171 -31.723 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -13.346 24.570 -31.770 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -12.872 23.981 -30.250 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -11.699 24.486 -31.368 1.00 63.22 H new ATOM 1002 N SER A 67 -11.559 17.015 -33.206 1.00 62.31 N ATOM 1003 CA SER A 67 -11.216 16.567 -34.550 1.00 54.23 C ATOM 1004 C SER A 67 -11.528 15.078 -34.713 1.00 53.41 C ATOM 1005 O SER A 67 -10.697 14.219 -34.405 1.00 22.22 O ATOM 1006 CB SER A 67 -9.730 16.841 -34.823 1.00 60.21 C ATOM 1007 OG SER A 67 -9.346 16.404 -36.113 1.00 72.44 O ATOM 0 H SER A 67 -10.920 16.684 -32.484 1.00 62.31 H new ATOM 0 HA SER A 67 -11.815 17.120 -35.273 1.00 54.23 H new ATOM 0 HB2 SER A 67 -9.533 17.909 -34.727 1.00 60.21 H new ATOM 0 HB3 SER A 67 -9.123 16.336 -34.072 1.00 60.21 H new ATOM 0 HG SER A 67 -9.803 16.944 -36.791 1.00 72.44 H new ATOM 1013 N LEU A 68 -12.741 14.775 -35.177 1.00 64.11 N ATOM 1014 CA LEU A 68 -13.152 13.393 -35.407 1.00 43.11 C ATOM 1015 C LEU A 68 -12.898 13.006 -36.863 1.00 71.30 C ATOM 1016 O LEU A 68 -12.156 12.062 -37.140 1.00 53.54 O ATOM 1017 CB LEU A 68 -14.635 13.201 -35.051 1.00 3.52 C ATOM 1018 CG LEU A 68 -15.158 11.757 -35.183 1.00 74.14 C ATOM 1019 CD1 LEU A 68 -14.387 10.813 -34.262 1.00 65.05 C ATOM 1020 CD2 LEU A 68 -16.655 11.692 -34.889 1.00 63.42 C ATOM 0 H LEU A 68 -13.454 15.469 -35.400 1.00 64.11 H new ATOM 0 HA LEU A 68 -12.561 12.743 -34.762 1.00 43.11 H new ATOM 0 HB2 LEU A 68 -14.793 13.536 -34.026 1.00 3.52 H new ATOM 0 HB3 LEU A 68 -15.233 13.848 -35.693 1.00 3.52 H new ATOM 0 HG LEU A 68 -14.999 11.434 -36.212 1.00 74.14 H new ATOM 0 HD11 LEU A 68 -14.774 9.800 -34.373 1.00 65.05 H new ATOM 0 HD12 LEU A 68 -13.330 10.829 -34.527 1.00 65.05 H new ATOM 0 HD13 LEU A 68 -14.506 11.136 -33.228 1.00 65.05 H new ATOM 0 HD21 LEU A 68 -17.001 10.663 -34.988 1.00 63.42 H new ATOM 0 HD22 LEU A 68 -16.842 12.041 -33.873 1.00 63.42 H new ATOM 0 HD23 LEU A 68 -17.192 12.325 -35.595 1.00 63.42 H new ATOM 1032 N ARG A 69 -13.511 13.748 -37.793 1.00 72.54 N ATOM 1033 CA ARG A 69 -13.325 13.511 -39.226 1.00 51.11 C ATOM 1034 C ARG A 69 -13.424 14.810 -40.026 1.00 31.31 C ATOM 1035 O ARG A 69 -13.501 15.894 -39.452 1.00 25.43 O ATOM 1036 CB ARG A 69 -14.314 12.459 -39.763 1.00 23.24 C ATOM 1037 CG ARG A 69 -13.814 11.013 -39.653 1.00 3.32 C ATOM 1038 CD ARG A 69 -12.515 10.781 -40.439 1.00 63.15 C ATOM 1039 NE ARG A 69 -11.330 11.313 -39.749 1.00 63.40 N ATOM 1040 CZ ARG A 69 -10.442 12.156 -40.293 1.00 21.44 C ATOM 1041 NH1 ARG A 69 -10.606 12.610 -41.526 1.00 44.15 N ATOM 1042 NH2 ARG A 69 -9.392 12.551 -39.587 1.00 11.13 N ATOM 0 H ARG A 69 -14.142 14.520 -37.576 1.00 72.54 H new ATOM 0 HA ARG A 69 -12.318 13.114 -39.355 1.00 51.11 H new ATOM 0 HB2 ARG A 69 -15.254 12.549 -39.219 1.00 23.24 H new ATOM 0 HB3 ARG A 69 -14.529 12.679 -40.809 1.00 23.24 H new ATOM 0 HG2 ARG A 69 -13.649 10.767 -38.604 1.00 3.32 H new ATOM 0 HG3 ARG A 69 -14.584 10.336 -40.022 1.00 3.32 H new ATOM 0 HD2 ARG A 69 -12.383 9.712 -40.607 1.00 63.15 H new ATOM 0 HD3 ARG A 69 -12.600 11.250 -41.419 1.00 63.15 H new ATOM 0 HE ARG A 69 -11.173 11.018 -38.785 1.00 63.40 H new ATOM 0 HH11 ARG A 69 -11.416 12.318 -42.073 1.00 44.15 H new ATOM 0 HH12 ARG A 69 -9.923 13.251 -41.928 1.00 44.15 H new ATOM 0 HH21 ARG A 69 -9.262 12.213 -38.633 1.00 11.13 H new ATOM 0 HH22 ARG A 69 -8.714 13.193 -39.997 1.00 11.13 H new ATOM 1056 N ASP A 70 -13.436 14.671 -41.349 1.00 3.11 N ATOM 1057 CA ASP A 70 -13.233 15.790 -42.268 1.00 55.45 C ATOM 1058 C ASP A 70 -14.433 16.735 -42.332 1.00 61.12 C ATOM 1059 O ASP A 70 -15.590 16.317 -42.245 1.00 62.15 O ATOM 1060 CB ASP A 70 -12.948 15.259 -43.678 1.00 35.03 C ATOM 1061 CG ASP A 70 -11.947 14.116 -43.695 1.00 22.05 C ATOM 1062 OD1 ASP A 70 -12.359 12.956 -43.450 1.00 72.12 O ATOM 1063 OD2 ASP A 70 -10.756 14.358 -43.959 1.00 32.01 O ATOM 0 H ASP A 70 -13.587 13.777 -41.816 1.00 3.11 H new ATOM 0 HA ASP A 70 -12.385 16.357 -41.885 1.00 55.45 H new ATOM 0 HB2 ASP A 70 -13.882 14.923 -44.128 1.00 35.03 H new ATOM 0 HB3 ASP A 70 -12.571 16.073 -44.297 1.00 35.03 H new ATOM 1068 N LYS A 71 -14.125 18.017 -42.496 1.00 32.23 N ATOM 1069 CA LYS A 71 -15.113 19.051 -42.761 1.00 5.13 C ATOM 1070 C LYS A 71 -15.805 18.834 -44.115 1.00 53.24 C ATOM 1071 O LYS A 71 -15.354 19.343 -45.146 1.00 70.21 O ATOM 1072 CB LYS A 71 -14.432 20.435 -42.700 1.00 1.23 C ATOM 1073 CG LYS A 71 -13.087 20.504 -43.433 1.00 12.31 C ATOM 1074 CD LYS A 71 -12.286 21.745 -43.038 1.00 64.40 C ATOM 1075 CE LYS A 71 -10.873 21.731 -43.621 1.00 71.42 C ATOM 1076 NZ LYS A 71 -10.872 21.837 -45.105 1.00 55.15 N ATOM 0 H LYS A 71 -13.169 18.370 -42.448 1.00 32.23 H new ATOM 0 HA LYS A 71 -15.889 19.000 -41.997 1.00 5.13 H new ATOM 0 HB2 LYS A 71 -15.105 21.178 -43.127 1.00 1.23 H new ATOM 0 HB3 LYS A 71 -14.279 20.707 -41.656 1.00 1.23 H new ATOM 0 HG2 LYS A 71 -12.505 19.610 -43.209 1.00 12.31 H new ATOM 0 HG3 LYS A 71 -13.260 20.511 -44.509 1.00 12.31 H new ATOM 0 HD2 LYS A 71 -12.810 22.637 -43.381 1.00 64.40 H new ATOM 0 HD3 LYS A 71 -12.228 21.807 -41.951 1.00 64.40 H new ATOM 0 HE2 LYS A 71 -10.301 22.558 -43.200 1.00 71.42 H new ATOM 0 HE3 LYS A 71 -10.369 20.811 -43.325 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 -9.892 21.823 -45.453 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 -11.395 21.035 -45.511 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 -11.328 22.727 -45.390 1.00 55.15 H new ATOM 1090 N LEU A 72 -16.874 18.034 -44.101 1.00 31.23 N ATOM 1091 CA LEU A 72 -17.712 17.807 -45.283 1.00 75.41 C ATOM 1092 C LEU A 72 -16.908 17.105 -46.386 1.00 62.01 C ATOM 1093 O LEU A 72 -17.103 17.344 -47.583 1.00 24.31 O ATOM 1094 CB LEU A 72 -18.300 19.145 -45.782 1.00 44.43 C ATOM 1095 CG LEU A 72 -19.356 19.042 -46.900 1.00 35.43 C ATOM 1096 CD1 LEU A 72 -20.546 18.198 -46.449 1.00 41.32 C ATOM 1097 CD2 LEU A 72 -19.811 20.433 -47.343 1.00 22.35 C ATOM 0 H LEU A 72 -17.183 17.526 -43.272 1.00 31.23 H new ATOM 0 HA LEU A 72 -18.540 17.153 -45.010 1.00 75.41 H new ATOM 0 HB2 LEU A 72 -18.747 19.662 -44.933 1.00 44.43 H new ATOM 0 HB3 LEU A 72 -17.481 19.769 -46.139 1.00 44.43 H new ATOM 0 HG LEU A 72 -18.898 18.546 -47.756 1.00 35.43 H new ATOM 0 HD11 LEU A 72 -21.277 18.140 -47.255 1.00 41.32 H new ATOM 0 HD12 LEU A 72 -20.205 17.194 -46.196 1.00 41.32 H new ATOM 0 HD13 LEU A 72 -21.006 18.656 -45.574 1.00 41.32 H new ATOM 0 HD21 LEU A 72 -20.556 20.338 -48.133 1.00 22.35 H new ATOM 0 HD22 LEU A 72 -20.247 20.961 -46.495 1.00 22.35 H new ATOM 0 HD23 LEU A 72 -18.955 20.994 -47.718 1.00 22.35 H new ATOM 1109 N ALA A 73 -16.015 16.214 -45.972 1.00 21.05 N ATOM 1110 CA ALA A 73 -15.155 15.496 -46.903 1.00 32.42 C ATOM 1111 C ALA A 73 -14.755 14.143 -46.328 1.00 24.44 C ATOM 1112 O ALA A 73 -15.303 13.703 -45.315 1.00 3.22 O ATOM 1113 CB ALA A 73 -13.919 16.335 -47.223 1.00 13.24 C ATOM 0 H ALA A 73 -15.868 15.971 -44.992 1.00 21.05 H new ATOM 0 HA ALA A 73 -15.706 15.320 -47.827 1.00 32.42 H new ATOM 0 HB1 ALA A 73 -13.281 15.792 -47.920 1.00 13.24 H new ATOM 0 HB2 ALA A 73 -14.227 17.279 -47.673 1.00 13.24 H new ATOM 0 HB3 ALA A 73 -13.367 16.534 -46.305 1.00 13.24 H new ATOM 1119 N THR A 74 -13.826 13.479 -46.994 1.00 10.11 N ATOM 1120 CA THR A 74 -13.255 12.237 -46.505 1.00 74.24 C ATOM 1121 C THR A 74 -11.782 12.164 -46.905 1.00 61.13 C ATOM 1122 O THR A 74 -11.459 12.122 -48.095 1.00 15.44 O ATOM 1123 CB THR A 74 -14.019 11.012 -47.060 1.00 41.53 C ATOM 1124 OG1 THR A 74 -15.388 11.056 -46.633 1.00 14.22 O ATOM 1125 CG2 THR A 74 -13.386 9.710 -46.593 1.00 11.04 C ATOM 0 H THR A 74 -13.446 13.786 -47.889 1.00 10.11 H new ATOM 0 HA THR A 74 -13.342 12.219 -45.419 1.00 74.24 H new ATOM 0 HB THR A 74 -13.969 11.050 -48.148 1.00 41.53 H new ATOM 0 HG1 THR A 74 -15.867 10.279 -46.989 1.00 14.22 H new ATOM 0 HG21 THR A 74 -13.945 8.867 -46.999 1.00 11.04 H new ATOM 0 HG22 THR A 74 -12.354 9.662 -46.940 1.00 11.04 H new ATOM 0 HG23 THR A 74 -13.405 9.666 -45.504 1.00 11.04 H new ATOM 1133 N GLY A 75 -10.895 12.185 -45.910 1.00 52.32 N ATOM 1134 CA GLY A 75 -9.466 12.112 -46.163 1.00 72.52 C ATOM 1135 C GLY A 75 -9.013 10.703 -46.500 1.00 42.43 C ATOM 1136 O GLY A 75 -8.140 10.141 -45.838 1.00 43.23 O ATOM 0 H GLY A 75 -11.146 12.252 -44.924 1.00 52.32 H new ATOM 0 HA2 GLY A 75 -9.210 12.780 -46.985 1.00 72.52 H new ATOM 0 HA3 GLY A 75 -8.925 12.465 -45.285 1.00 72.52 H new ATOM 1140 N ARG A 76 -9.618 10.130 -47.534 1.00 35.04 N ATOM 1141 CA ARG A 76 -9.286 8.784 -47.973 1.00 4.50 C ATOM 1142 C ARG A 76 -8.031 8.823 -48.840 1.00 12.31 C ATOM 1143 O ARG A 76 -8.060 9.325 -49.967 1.00 73.20 O ATOM 1144 CB ARG A 76 -10.457 8.178 -48.759 1.00 60.21 C ATOM 1145 CG ARG A 76 -10.247 6.720 -49.157 1.00 70.14 C ATOM 1146 CD ARG A 76 -11.416 6.194 -49.981 1.00 54.54 C ATOM 1147 NE ARG A 76 -11.304 4.760 -50.250 1.00 2.04 N ATOM 1148 CZ ARG A 76 -11.894 4.140 -51.275 1.00 41.13 C ATOM 1149 NH1 ARG A 76 -12.535 4.843 -52.202 1.00 34.14 N ATOM 1150 NH2 ARG A 76 -11.806 2.821 -51.391 1.00 60.43 N ATOM 0 H ARG A 76 -10.346 10.583 -48.086 1.00 35.04 H new ATOM 0 HA ARG A 76 -9.097 8.160 -47.100 1.00 4.50 H new ATOM 0 HB2 ARG A 76 -11.363 8.253 -48.157 1.00 60.21 H new ATOM 0 HB3 ARG A 76 -10.622 8.770 -49.659 1.00 60.21 H new ATOM 0 HG2 ARG A 76 -9.325 6.627 -49.731 1.00 70.14 H new ATOM 0 HG3 ARG A 76 -10.128 6.110 -48.261 1.00 70.14 H new ATOM 0 HD2 ARG A 76 -12.348 6.391 -49.452 1.00 54.54 H new ATOM 0 HD3 ARG A 76 -11.465 6.736 -50.925 1.00 54.54 H new ATOM 0 HE ARG A 76 -10.739 4.198 -49.614 1.00 2.04 H new ATOM 0 HH11 ARG A 76 -12.578 5.860 -52.132 1.00 34.14 H new ATOM 0 HH12 ARG A 76 -12.985 4.366 -52.984 1.00 34.14 H new ATOM 0 HH21 ARG A 76 -11.288 2.281 -50.697 1.00 60.43 H new ATOM 0 HH22 ARG A 76 -12.256 2.347 -52.174 1.00 60.43 H new ATOM 1164 N GLY A 77 -6.929 8.327 -48.298 1.00 43.11 N ATOM 1165 CA GLY A 77 -5.676 8.311 -49.027 1.00 54.42 C ATOM 1166 C GLY A 77 -4.479 8.288 -48.099 1.00 15.24 C ATOM 1167 O GLY A 77 -3.943 7.220 -47.786 1.00 61.11 O ATOM 0 H GLY A 77 -6.880 7.932 -47.359 1.00 43.11 H new ATOM 0 HA2 GLY A 77 -5.647 7.437 -49.678 1.00 54.42 H new ATOM 0 HA3 GLY A 77 -5.619 9.190 -49.670 1.00 54.42 H new ATOM 1171 N PHE A 78 -4.073 9.469 -47.648 1.00 22.23 N ATOM 1172 CA PHE A 78 -2.903 9.622 -46.792 1.00 73.44 C ATOM 1173 C PHE A 78 -3.156 10.680 -45.715 1.00 12.01 C ATOM 1174 O PHE A 78 -3.758 11.721 -45.984 1.00 2.23 O ATOM 1175 CB PHE A 78 -1.676 9.984 -47.645 1.00 60.31 C ATOM 1176 CG PHE A 78 -1.924 11.086 -48.652 1.00 23.21 C ATOM 1177 CD1 PHE A 78 -2.376 10.785 -49.933 1.00 23.21 C ATOM 1178 CD2 PHE A 78 -1.706 12.418 -48.324 1.00 25.02 C ATOM 1179 CE1 PHE A 78 -2.605 11.788 -50.858 1.00 21.11 C ATOM 1180 CE2 PHE A 78 -1.935 13.423 -49.247 1.00 31.41 C ATOM 1181 CZ PHE A 78 -2.385 13.108 -50.514 1.00 42.13 C ATOM 0 H PHE A 78 -4.545 10.347 -47.865 1.00 22.23 H new ATOM 0 HA PHE A 78 -2.707 8.676 -46.287 1.00 73.44 H new ATOM 0 HB2 PHE A 78 -0.864 10.287 -46.984 1.00 60.31 H new ATOM 0 HB3 PHE A 78 -1.340 9.092 -48.174 1.00 60.31 H new ATOM 0 HD1 PHE A 78 -2.550 9.755 -50.209 1.00 23.21 H new ATOM 0 HD2 PHE A 78 -1.353 12.673 -47.336 1.00 25.02 H new ATOM 0 HE1 PHE A 78 -2.956 11.539 -51.849 1.00 21.11 H new ATOM 0 HE2 PHE A 78 -1.762 14.454 -48.976 1.00 31.41 H new ATOM 0 HZ PHE A 78 -2.565 13.892 -51.235 1.00 42.13 H new ATOM 1191 N ASP A 79 -2.691 10.397 -44.499 1.00 52.44 N ATOM 1192 CA ASP A 79 -2.912 11.269 -43.337 1.00 4.14 C ATOM 1193 C ASP A 79 -1.858 12.373 -43.247 1.00 34.43 C ATOM 1194 O ASP A 79 -2.005 13.328 -42.478 1.00 22.44 O ATOM 1195 CB ASP A 79 -2.880 10.436 -42.047 1.00 50.33 C ATOM 1196 CG ASP A 79 -1.582 9.650 -41.899 1.00 31.15 C ATOM 1197 OD1 ASP A 79 -0.602 10.189 -41.337 1.00 63.52 O ATOM 1198 OD2 ASP A 79 -1.536 8.487 -42.357 1.00 74.11 O ATOM 0 H ASP A 79 -2.150 9.558 -44.287 1.00 52.44 H new ATOM 0 HA ASP A 79 -3.888 11.738 -43.460 1.00 4.14 H new ATOM 0 HB2 ASP A 79 -3.003 11.096 -41.188 1.00 50.33 H new ATOM 0 HB3 ASP A 79 -3.723 9.745 -42.042 1.00 50.33 H new ATOM 1203 N GLN A 80 -0.797 12.233 -44.029 1.00 32.33 N ATOM 1204 CA GLN A 80 0.333 13.152 -43.967 1.00 51.35 C ATOM 1205 C GLN A 80 0.124 14.337 -44.913 1.00 60.12 C ATOM 1206 O GLN A 80 0.135 15.493 -44.439 1.00 14.05 O ATOM 1207 CB GLN A 80 1.629 12.405 -44.303 1.00 42.55 C ATOM 1208 CG GLN A 80 2.890 13.231 -44.077 1.00 4.25 C ATOM 1209 CD GLN A 80 4.149 12.386 -44.125 1.00 22.13 C ATOM 1210 OE1 GLN A 80 4.763 12.218 -45.181 1.00 60.13 O ATOM 1211 NE2 GLN A 80 4.537 11.838 -42.984 1.00 63.52 N ATOM 1212 OXT GLN A 80 -0.084 14.107 -46.123 1.00 0.00 O ATOM 0 H GLN A 80 -0.694 11.488 -44.718 1.00 32.33 H new ATOM 0 HA GLN A 80 0.409 13.547 -42.954 1.00 51.35 H new ATOM 0 HB2 GLN A 80 1.684 11.501 -43.697 1.00 42.55 H new ATOM 0 HB3 GLN A 80 1.595 12.088 -45.345 1.00 42.55 H new ATOM 0 HG2 GLN A 80 2.950 14.012 -44.835 1.00 4.25 H new ATOM 0 HG3 GLN A 80 2.826 13.729 -43.110 1.00 4.25 H new ATOM 0 HE21 GLN A 80 4.001 12.001 -42.132 1.00 63.52 H new ATOM 0 HE22 GLN A 80 5.372 11.252 -42.957 1.00 63.52 H new TER 1221 GLN A 80