USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 18 SER OG : rot 20:sc= 1.05 USER MOD Set 1.2: A 20 LYS NZ :NH3+ -167:sc= 1.42 (180deg=0.0293) USER MOD Single : A 9 MET CE :methyl 168:sc= -0.79 (180deg=-1.06) USER MOD Single : A 11 ASN :FLIP amide:sc= -2.1! C(o=-2.9!,f=-2.1!) USER MOD Single : A 21 THR OG1 : rot -120:sc= 0.871 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -70:sc= 1.26 USER MOD Single : A 29 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.48) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 166:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.83) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.459 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0502 X(o=-0.05,f=-0.064) USER MOD Single : A 70 ASN : amide:sc= -3.42! C(o=-3.4!,f=-11!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 1.17 (180deg=1.05) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 130:sc= -0.262 USER MOD Single : A 86 MET CE :methyl 165:sc= -1.11 (180deg=-1.27) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -11.695 -14.791 7.721 1.00 22.00 N ATOM 38 CA VAL A 5 -12.234 -13.604 7.128 1.00 11.33 C ATOM 39 C VAL A 5 -13.756 -13.626 7.284 1.00 72.23 C ATOM 40 O VAL A 5 -14.392 -14.660 7.011 1.00 44.24 O ATOM 41 CB VAL A 5 -11.899 -13.553 5.619 1.00 1.44 C ATOM 42 CG1 VAL A 5 -12.244 -12.207 5.020 1.00 63.44 C ATOM 43 CG2 VAL A 5 -10.456 -13.902 5.358 1.00 55.20 C ATOM 0 HA VAL A 5 -11.802 -12.733 7.622 1.00 11.33 H new ATOM 0 HB VAL A 5 -12.517 -14.306 5.129 1.00 1.44 H new ATOM 0 HG11 VAL A 5 -11.996 -12.207 3.959 1.00 63.44 H new ATOM 0 HG12 VAL A 5 -13.310 -12.016 5.143 1.00 63.44 H new ATOM 0 HG13 VAL A 5 -11.675 -11.427 5.526 1.00 63.44 H new ATOM 0 HG21 VAL A 5 -10.258 -13.855 4.287 1.00 55.20 H new ATOM 0 HG22 VAL A 5 -9.811 -13.193 5.877 1.00 55.20 H new ATOM 0 HG23 VAL A 5 -10.254 -14.910 5.721 1.00 55.20 H new ATOM 53 N PRO A 6 -14.370 -12.526 7.750 1.00 34.04 N ATOM 54 CA PRO A 6 -15.814 -12.446 7.868 1.00 73.01 C ATOM 55 C PRO A 6 -16.450 -12.335 6.500 1.00 54.34 C ATOM 56 O PRO A 6 -15.900 -11.662 5.600 1.00 14.51 O ATOM 57 CB PRO A 6 -16.072 -11.142 8.639 1.00 25.41 C ATOM 58 CG PRO A 6 -14.738 -10.639 9.070 1.00 12.34 C ATOM 59 CD PRO A 6 -13.712 -11.291 8.192 1.00 62.43 C ATOM 0 HA PRO A 6 -16.227 -13.327 8.360 1.00 73.01 H new ATOM 0 HB2 PRO A 6 -16.578 -10.411 8.008 1.00 25.41 H new ATOM 0 HB3 PRO A 6 -16.717 -11.320 9.500 1.00 25.41 H new ATOM 0 HG2 PRO A 6 -14.688 -9.554 8.979 1.00 12.34 H new ATOM 0 HG3 PRO A 6 -14.556 -10.880 10.118 1.00 12.34 H new ATOM 0 HD2 PRO A 6 -13.444 -10.655 7.348 1.00 62.43 H new ATOM 0 HD3 PRO A 6 -12.792 -11.500 8.738 1.00 62.43 H new ATOM 67 N ALA A 7 -17.591 -12.961 6.324 1.00 70.21 N ATOM 68 CA ALA A 7 -18.297 -12.878 5.074 1.00 14.34 C ATOM 69 C ALA A 7 -19.020 -11.548 4.979 1.00 51.12 C ATOM 70 O ALA A 7 -20.237 -11.451 5.159 1.00 32.31 O ATOM 71 CB ALA A 7 -19.233 -14.043 4.869 1.00 43.14 C ATOM 0 H ALA A 7 -18.048 -13.533 7.034 1.00 70.21 H new ATOM 0 HA ALA A 7 -17.567 -12.934 4.266 1.00 14.34 H new ATOM 0 HB1 ALA A 7 -19.743 -13.936 3.912 1.00 43.14 H new ATOM 0 HB2 ALA A 7 -18.664 -14.972 4.875 1.00 43.14 H new ATOM 0 HB3 ALA A 7 -19.969 -14.064 5.672 1.00 43.14 H new ATOM 77 N ASP A 8 -18.226 -10.536 4.790 1.00 10.12 N ATOM 78 CA ASP A 8 -18.645 -9.151 4.672 1.00 63.45 C ATOM 79 C ASP A 8 -17.458 -8.351 4.196 1.00 24.24 C ATOM 80 O ASP A 8 -17.590 -7.347 3.507 1.00 21.01 O ATOM 81 CB ASP A 8 -19.113 -8.615 6.035 1.00 75.31 C ATOM 82 CG ASP A 8 -19.548 -7.166 5.994 1.00 74.14 C ATOM 83 OD1 ASP A 8 -20.683 -6.894 5.547 1.00 43.32 O ATOM 84 OD2 ASP A 8 -18.773 -6.279 6.417 1.00 31.24 O ATOM 0 H ASP A 8 -17.216 -10.649 4.708 1.00 10.12 H new ATOM 0 HA ASP A 8 -19.475 -9.070 3.970 1.00 63.45 H new ATOM 0 HB2 ASP A 8 -19.942 -9.226 6.392 1.00 75.31 H new ATOM 0 HB3 ASP A 8 -18.304 -8.723 6.757 1.00 75.31 H new ATOM 89 N MET A 9 -16.285 -8.843 4.541 1.00 23.34 N ATOM 90 CA MET A 9 -15.043 -8.188 4.207 1.00 30.21 C ATOM 91 C MET A 9 -14.232 -9.093 3.305 1.00 43.25 C ATOM 92 O MET A 9 -14.297 -10.318 3.420 1.00 51.40 O ATOM 93 CB MET A 9 -14.249 -7.904 5.496 1.00 71.22 C ATOM 94 CG MET A 9 -14.994 -7.038 6.504 1.00 22.11 C ATOM 95 SD MET A 9 -15.235 -5.328 5.972 1.00 22.42 S ATOM 96 CE MET A 9 -13.559 -4.722 6.034 1.00 70.20 C ATOM 0 H MET A 9 -16.169 -9.712 5.063 1.00 23.34 H new ATOM 0 HA MET A 9 -15.250 -7.248 3.695 1.00 30.21 H new ATOM 0 HB2 MET A 9 -13.991 -8.852 5.968 1.00 71.22 H new ATOM 0 HB3 MET A 9 -13.312 -7.413 5.233 1.00 71.22 H new ATOM 0 HG2 MET A 9 -15.968 -7.486 6.702 1.00 22.11 H new ATOM 0 HG3 MET A 9 -14.444 -7.040 7.445 1.00 22.11 H new ATOM 0 HE1 MET A 9 -13.503 -3.754 5.536 1.00 70.20 H new ATOM 0 HE2 MET A 9 -13.250 -4.613 7.074 1.00 70.20 H new ATOM 0 HE3 MET A 9 -12.898 -5.428 5.531 1.00 70.20 H new ATOM 106 N ILE A 10 -13.514 -8.514 2.405 1.00 22.23 N ATOM 107 CA ILE A 10 -12.623 -9.253 1.550 1.00 54.23 C ATOM 108 C ILE A 10 -11.190 -9.142 2.096 1.00 1.21 C ATOM 109 O ILE A 10 -10.773 -8.064 2.540 1.00 73.44 O ATOM 110 CB ILE A 10 -12.754 -8.813 0.029 1.00 73.11 C ATOM 111 CG1 ILE A 10 -12.616 -7.313 -0.194 1.00 10.51 C ATOM 112 CG2 ILE A 10 -14.020 -9.296 -0.606 1.00 64.41 C ATOM 113 CD1 ILE A 10 -11.205 -6.833 -0.344 1.00 31.04 C ATOM 0 H ILE A 10 -13.522 -7.509 2.233 1.00 22.23 H new ATOM 0 HA ILE A 10 -12.904 -10.306 1.560 1.00 54.23 H new ATOM 0 HB ILE A 10 -11.907 -9.298 -0.457 1.00 73.11 H new ATOM 0 HG12 ILE A 10 -13.176 -7.039 -1.088 1.00 10.51 H new ATOM 0 HG13 ILE A 10 -13.077 -6.790 0.644 1.00 10.51 H new ATOM 0 HG21 ILE A 10 -14.055 -8.966 -1.644 1.00 64.41 H new ATOM 0 HG22 ILE A 10 -14.053 -10.385 -0.570 1.00 64.41 H new ATOM 0 HG23 ILE A 10 -14.876 -8.890 -0.067 1.00 64.41 H new ATOM 0 HD11 ILE A 10 -11.202 -5.754 -0.499 1.00 31.04 H new ATOM 0 HD12 ILE A 10 -10.642 -7.072 0.558 1.00 31.04 H new ATOM 0 HD13 ILE A 10 -10.743 -7.324 -1.201 1.00 31.04 H new ATOM 125 N ASN A 11 -10.461 -10.242 2.129 1.00 1.31 N ATOM 126 CA ASN A 11 -9.108 -10.207 2.668 1.00 40.44 C ATOM 127 C ASN A 11 -8.173 -9.945 1.532 1.00 22.53 C ATOM 128 O ASN A 11 -7.943 -10.820 0.682 1.00 45.03 O ATOM 129 CB ASN A 11 -8.738 -11.526 3.340 1.00 23.40 C ATOM 130 CG ASN A 11 -7.453 -11.454 4.171 1.00 10.34 C ATOM 131 OD1 ASN A 11 -6.328 -11.687 3.560 1.00 22.55 O flip ATOM 132 ND2 ASN A 11 -7.490 -11.175 5.363 1.00 63.31 N flip ATOM 0 H ASN A 11 -10.772 -11.155 1.797 1.00 1.31 H new ATOM 0 HA ASN A 11 -9.042 -9.425 3.424 1.00 40.44 H new ATOM 0 HB2 ASN A 11 -9.560 -11.839 3.984 1.00 23.40 H new ATOM 0 HB3 ASN A 11 -8.623 -12.294 2.575 1.00 23.40 H new ATOM 0 HD21 ASN A 11 -8.386 -10.997 5.818 1.00 63.31 H new ATOM 0 HD22 ASN A 11 -6.625 -11.121 5.901 1.00 63.31 H new ATOM 139 N LEU A 12 -7.646 -8.779 1.495 1.00 14.40 N ATOM 140 CA LEU A 12 -6.846 -8.366 0.398 1.00 44.51 C ATOM 141 C LEU A 12 -5.412 -8.179 0.796 1.00 21.02 C ATOM 142 O LEU A 12 -5.111 -7.558 1.823 1.00 53.24 O ATOM 143 CB LEU A 12 -7.428 -7.071 -0.167 1.00 4.35 C ATOM 144 CG LEU A 12 -6.624 -6.335 -1.236 1.00 61.40 C ATOM 145 CD1 LEU A 12 -6.366 -7.189 -2.461 1.00 61.43 C ATOM 146 CD2 LEU A 12 -7.317 -5.045 -1.596 1.00 1.25 C ATOM 0 H LEU A 12 -7.756 -8.078 2.227 1.00 14.40 H new ATOM 0 HA LEU A 12 -6.859 -9.144 -0.366 1.00 44.51 H new ATOM 0 HB2 LEU A 12 -8.409 -7.299 -0.584 1.00 4.35 H new ATOM 0 HB3 LEU A 12 -7.586 -6.384 0.665 1.00 4.35 H new ATOM 0 HG LEU A 12 -5.643 -6.106 -0.819 1.00 61.40 H new ATOM 0 HD11 LEU A 12 -5.791 -6.617 -3.189 1.00 61.43 H new ATOM 0 HD12 LEU A 12 -5.805 -8.078 -2.173 1.00 61.43 H new ATOM 0 HD13 LEU A 12 -7.317 -7.487 -2.903 1.00 61.43 H new ATOM 0 HD21 LEU A 12 -6.740 -4.523 -2.359 1.00 1.25 H new ATOM 0 HD22 LEU A 12 -8.314 -5.262 -1.980 1.00 1.25 H new ATOM 0 HD23 LEU A 12 -7.399 -4.416 -0.709 1.00 1.25 H new ATOM 158 N ARG A 13 -4.528 -8.727 -0.001 1.00 35.22 N ATOM 159 CA ARG A 13 -3.150 -8.510 0.184 1.00 25.11 C ATOM 160 C ARG A 13 -2.668 -7.585 -0.900 1.00 34.24 C ATOM 161 O ARG A 13 -2.784 -7.871 -2.092 1.00 20.23 O ATOM 162 CB ARG A 13 -2.379 -9.812 0.163 1.00 10.12 C ATOM 163 CG ARG A 13 -0.923 -9.640 0.531 1.00 73.44 C ATOM 164 CD ARG A 13 -0.260 -10.968 0.672 1.00 14.02 C ATOM 165 NE ARG A 13 1.142 -10.853 1.082 1.00 42.15 N ATOM 166 CZ ARG A 13 2.018 -11.863 1.085 1.00 2.40 C ATOM 167 NH1 ARG A 13 1.623 -13.096 0.746 1.00 3.04 N ATOM 168 NH2 ARG A 13 3.278 -11.641 1.453 1.00 70.21 N ATOM 0 H ARG A 13 -4.762 -9.331 -0.789 1.00 35.22 H new ATOM 0 HA ARG A 13 -2.981 -8.059 1.162 1.00 25.11 H new ATOM 0 HB2 ARG A 13 -2.843 -10.514 0.856 1.00 10.12 H new ATOM 0 HB3 ARG A 13 -2.447 -10.253 -0.832 1.00 10.12 H new ATOM 0 HG2 ARG A 13 -0.415 -9.053 -0.234 1.00 73.44 H new ATOM 0 HG3 ARG A 13 -0.841 -9.085 1.465 1.00 73.44 H new ATOM 0 HD2 ARG A 13 -0.802 -11.565 1.405 1.00 14.02 H new ATOM 0 HD3 ARG A 13 -0.315 -11.501 -0.277 1.00 14.02 H new ATOM 0 HE ARG A 13 1.473 -9.938 1.387 1.00 42.15 H new ATOM 0 HH11 ARG A 13 0.652 -13.267 0.485 1.00 3.04 H new ATOM 0 HH12 ARG A 13 2.293 -13.865 0.749 1.00 3.04 H new ATOM 0 HH21 ARG A 13 3.571 -10.704 1.731 1.00 70.21 H new ATOM 0 HH22 ARG A 13 3.951 -12.408 1.457 1.00 70.21 H new ATOM 182 N LEU A 14 -2.141 -6.513 -0.474 1.00 12.01 N ATOM 183 CA LEU A 14 -1.650 -5.452 -1.315 1.00 12.12 C ATOM 184 C LEU A 14 -0.145 -5.583 -1.463 1.00 62.31 C ATOM 185 O LEU A 14 0.572 -5.732 -0.457 1.00 24.25 O ATOM 186 CB LEU A 14 -1.977 -4.061 -0.669 1.00 34.12 C ATOM 187 CG LEU A 14 -3.460 -3.653 -0.456 1.00 2.23 C ATOM 188 CD1 LEU A 14 -4.206 -3.549 -1.759 1.00 25.34 C ATOM 189 CD2 LEU A 14 -4.195 -4.574 0.506 1.00 10.25 C ATOM 0 H LEU A 14 -2.024 -6.319 0.521 1.00 12.01 H new ATOM 0 HA LEU A 14 -2.130 -5.522 -2.291 1.00 12.12 H new ATOM 0 HB2 LEU A 14 -1.485 -4.027 0.303 1.00 34.12 H new ATOM 0 HB3 LEU A 14 -1.512 -3.294 -1.289 1.00 34.12 H new ATOM 0 HG LEU A 14 -3.431 -2.664 0.002 1.00 2.23 H new ATOM 0 HD11 LEU A 14 -5.239 -3.261 -1.565 1.00 25.34 H new ATOM 0 HD12 LEU A 14 -3.733 -2.797 -2.390 1.00 25.34 H new ATOM 0 HD13 LEU A 14 -4.187 -4.513 -2.267 1.00 25.34 H new ATOM 0 HD21 LEU A 14 -5.226 -4.238 0.615 1.00 10.25 H new ATOM 0 HD22 LEU A 14 -4.184 -5.592 0.116 1.00 10.25 H new ATOM 0 HD23 LEU A 14 -3.702 -4.553 1.478 1.00 10.25 H new ATOM 201 N ILE A 15 0.346 -5.572 -2.683 1.00 44.13 N ATOM 202 CA ILE A 15 1.776 -5.598 -2.884 1.00 51.21 C ATOM 203 C ILE A 15 2.201 -4.223 -3.353 1.00 73.25 C ATOM 204 O ILE A 15 1.744 -3.754 -4.407 1.00 33.30 O ATOM 205 CB ILE A 15 2.236 -6.607 -3.960 1.00 25.12 C ATOM 206 CG1 ILE A 15 1.521 -7.961 -3.830 1.00 13.13 C ATOM 207 CG2 ILE A 15 3.750 -6.795 -3.836 1.00 30.14 C ATOM 208 CD1 ILE A 15 1.795 -8.694 -2.581 1.00 23.34 C ATOM 0 H ILE A 15 -0.213 -5.546 -3.536 1.00 44.13 H new ATOM 0 HA ILE A 15 2.226 -5.897 -1.937 1.00 51.21 H new ATOM 0 HB ILE A 15 1.979 -6.208 -4.941 1.00 25.12 H new ATOM 0 HG12 ILE A 15 0.446 -7.796 -3.908 1.00 13.13 H new ATOM 0 HG13 ILE A 15 1.809 -8.589 -4.673 1.00 13.13 H new ATOM 0 HG21 ILE A 15 4.091 -7.505 -4.589 1.00 30.14 H new ATOM 0 HG22 ILE A 15 4.249 -5.838 -3.987 1.00 30.14 H new ATOM 0 HG23 ILE A 15 3.989 -7.176 -2.843 1.00 30.14 H new ATOM 0 HD11 ILE A 15 1.246 -9.635 -2.584 1.00 23.34 H new ATOM 0 HD12 ILE A 15 2.863 -8.897 -2.505 1.00 23.34 H new ATOM 0 HD13 ILE A 15 1.479 -8.092 -1.729 1.00 23.34 H new ATOM 220 N LEU A 16 3.047 -3.584 -2.597 1.00 5.01 N ATOM 221 CA LEU A 16 3.517 -2.262 -2.931 1.00 61.42 C ATOM 222 C LEU A 16 4.695 -2.354 -3.911 1.00 22.33 C ATOM 223 O LEU A 16 5.428 -3.337 -3.908 1.00 32.13 O ATOM 224 CB LEU A 16 3.949 -1.535 -1.646 1.00 72.50 C ATOM 225 CG LEU A 16 4.441 -0.093 -1.794 1.00 31.12 C ATOM 226 CD1 LEU A 16 3.336 0.815 -2.322 1.00 43.24 C ATOM 227 CD2 LEU A 16 4.979 0.418 -0.466 1.00 5.41 C ATOM 0 H LEU A 16 3.433 -3.961 -1.731 1.00 5.01 H new ATOM 0 HA LEU A 16 2.713 -1.701 -3.408 1.00 61.42 H new ATOM 0 HB2 LEU A 16 3.105 -1.536 -0.957 1.00 72.50 H new ATOM 0 HB3 LEU A 16 4.743 -2.117 -1.178 1.00 72.50 H new ATOM 0 HG LEU A 16 5.251 -0.081 -2.523 1.00 31.12 H new ATOM 0 HD11 LEU A 16 3.715 1.833 -2.417 1.00 43.24 H new ATOM 0 HD12 LEU A 16 3.007 0.458 -3.298 1.00 43.24 H new ATOM 0 HD13 LEU A 16 2.494 0.804 -1.629 1.00 43.24 H new ATOM 0 HD21 LEU A 16 5.326 1.445 -0.585 1.00 5.41 H new ATOM 0 HD22 LEU A 16 4.188 0.387 0.283 1.00 5.41 H new ATOM 0 HD23 LEU A 16 5.809 -0.210 -0.144 1.00 5.41 H new ATOM 239 N VAL A 17 4.880 -1.310 -4.724 1.00 21.52 N ATOM 240 CA VAL A 17 5.981 -1.222 -5.723 1.00 43.12 C ATOM 241 C VAL A 17 7.372 -1.297 -5.090 1.00 42.14 C ATOM 242 O VAL A 17 8.378 -1.457 -5.781 1.00 63.11 O ATOM 243 CB VAL A 17 5.896 0.077 -6.558 1.00 33.21 C ATOM 244 CG1 VAL A 17 4.632 0.095 -7.355 1.00 22.10 C ATOM 245 CG2 VAL A 17 5.978 1.315 -5.664 1.00 52.34 C ATOM 0 H VAL A 17 4.273 -0.490 -4.718 1.00 21.52 H new ATOM 0 HA VAL A 17 5.845 -2.090 -6.369 1.00 43.12 H new ATOM 0 HB VAL A 17 6.746 0.098 -7.240 1.00 33.21 H new ATOM 0 HG11 VAL A 17 4.583 1.014 -7.939 1.00 22.10 H new ATOM 0 HG12 VAL A 17 4.613 -0.763 -8.027 1.00 22.10 H new ATOM 0 HG13 VAL A 17 3.776 0.047 -6.681 1.00 22.10 H new ATOM 0 HG21 VAL A 17 5.916 2.213 -6.279 1.00 52.34 H new ATOM 0 HG22 VAL A 17 5.153 1.305 -4.952 1.00 52.34 H new ATOM 0 HG23 VAL A 17 6.924 1.311 -5.123 1.00 52.34 H new ATOM 255 N SER A 18 7.420 -1.153 -3.798 1.00 42.55 N ATOM 256 CA SER A 18 8.655 -1.186 -3.077 1.00 54.10 C ATOM 257 C SER A 18 8.967 -2.647 -2.663 1.00 14.02 C ATOM 258 O SER A 18 10.003 -2.937 -2.062 1.00 64.32 O ATOM 259 CB SER A 18 8.516 -0.275 -1.853 1.00 32.22 C ATOM 260 OG SER A 18 9.748 -0.070 -1.199 1.00 51.12 O ATOM 0 H SER A 18 6.597 -1.009 -3.213 1.00 42.55 H new ATOM 0 HA SER A 18 9.481 -0.830 -3.693 1.00 54.10 H new ATOM 0 HB2 SER A 18 8.107 0.687 -2.163 1.00 32.22 H new ATOM 0 HB3 SER A 18 7.804 -0.714 -1.154 1.00 32.22 H new ATOM 0 HG SER A 18 10.483 -0.277 -1.813 1.00 51.12 H new ATOM 266 N GLY A 19 8.042 -3.556 -2.986 1.00 23.31 N ATOM 267 CA GLY A 19 8.208 -4.965 -2.679 1.00 32.11 C ATOM 268 C GLY A 19 7.736 -5.315 -1.290 1.00 33.24 C ATOM 269 O GLY A 19 7.943 -6.437 -0.808 1.00 31.23 O ATOM 0 H GLY A 19 7.169 -3.331 -3.463 1.00 23.31 H new ATOM 0 HA2 GLY A 19 7.656 -5.559 -3.407 1.00 32.11 H new ATOM 0 HA3 GLY A 19 9.260 -5.234 -2.780 1.00 32.11 H new ATOM 273 N LYS A 20 7.109 -4.363 -0.636 1.00 73.24 N ATOM 274 CA LYS A 20 6.552 -4.595 0.670 1.00 5.44 C ATOM 275 C LYS A 20 5.152 -5.126 0.501 1.00 14.44 C ATOM 276 O LYS A 20 4.365 -4.567 -0.268 1.00 62.13 O ATOM 277 CB LYS A 20 6.542 -3.313 1.562 1.00 34.33 C ATOM 278 CG LYS A 20 7.918 -2.835 2.091 1.00 34.45 C ATOM 279 CD LYS A 20 8.877 -2.475 0.983 1.00 52.11 C ATOM 280 CE LYS A 20 10.227 -2.017 1.507 1.00 52.33 C ATOM 281 NZ LYS A 20 11.156 -1.724 0.393 1.00 72.24 N ATOM 0 H LYS A 20 6.974 -3.417 -0.993 1.00 73.24 H new ATOM 0 HA LYS A 20 7.182 -5.319 1.186 1.00 5.44 H new ATOM 0 HB2 LYS A 20 6.095 -2.501 0.989 1.00 34.33 H new ATOM 0 HB3 LYS A 20 5.891 -3.496 2.417 1.00 34.33 H new ATOM 0 HG2 LYS A 20 7.773 -1.968 2.736 1.00 34.45 H new ATOM 0 HG3 LYS A 20 8.358 -3.620 2.706 1.00 34.45 H new ATOM 0 HD2 LYS A 20 9.017 -3.339 0.333 1.00 52.11 H new ATOM 0 HD3 LYS A 20 8.441 -1.685 0.372 1.00 52.11 H new ATOM 0 HE2 LYS A 20 10.099 -1.127 2.123 1.00 52.33 H new ATOM 0 HE3 LYS A 20 10.653 -2.789 2.148 1.00 52.33 H new ATOM 0 HZ1 LYS A 20 12.123 -1.629 0.763 1.00 72.24 H new ATOM 0 HZ2 LYS A 20 11.125 -2.500 -0.298 1.00 72.24 H new ATOM 0 HZ3 LYS A 20 10.874 -0.837 -0.070 1.00 72.24 H new ATOM 295 N THR A 21 4.837 -6.191 1.178 1.00 10.32 N ATOM 296 CA THR A 21 3.532 -6.762 1.053 1.00 23.00 C ATOM 297 C THR A 21 2.768 -6.480 2.306 1.00 13.34 C ATOM 298 O THR A 21 3.353 -6.461 3.390 1.00 11.22 O ATOM 299 CB THR A 21 3.590 -8.295 0.821 1.00 13.01 C ATOM 300 OG1 THR A 21 4.144 -8.968 1.963 1.00 72.12 O ATOM 301 CG2 THR A 21 4.441 -8.619 -0.385 1.00 20.44 C ATOM 0 H THR A 21 5.463 -6.678 1.819 1.00 10.32 H new ATOM 0 HA THR A 21 3.043 -6.316 0.187 1.00 23.00 H new ATOM 0 HB THR A 21 2.568 -8.637 0.657 1.00 13.01 H new ATOM 0 HG1 THR A 21 4.952 -9.454 1.696 1.00 72.12 H new ATOM 0 HG21 THR A 21 4.469 -9.699 -0.531 1.00 20.44 H new ATOM 0 HG22 THR A 21 4.015 -8.144 -1.269 1.00 20.44 H new ATOM 0 HG23 THR A 21 5.453 -8.248 -0.226 1.00 20.44 H new ATOM 309 N LYS A 22 1.513 -6.236 2.192 1.00 44.14 N ATOM 310 CA LYS A 22 0.723 -5.996 3.376 1.00 75.54 C ATOM 311 C LYS A 22 -0.667 -6.570 3.172 1.00 70.13 C ATOM 312 O LYS A 22 -1.161 -6.580 2.051 1.00 12.52 O ATOM 313 CB LYS A 22 0.655 -4.498 3.656 1.00 75.12 C ATOM 314 CG LYS A 22 0.164 -4.150 5.042 1.00 63.15 C ATOM 315 CD LYS A 22 1.138 -4.665 6.090 1.00 4.35 C ATOM 316 CE LYS A 22 0.674 -4.380 7.499 1.00 52.35 C ATOM 317 NZ LYS A 22 1.657 -4.851 8.489 1.00 20.33 N ATOM 0 H LYS A 22 1.003 -6.194 1.310 1.00 44.14 H new ATOM 0 HA LYS A 22 1.183 -6.484 4.235 1.00 75.54 H new ATOM 0 HB2 LYS A 22 1.647 -4.068 3.515 1.00 75.12 H new ATOM 0 HB3 LYS A 22 -0.002 -4.032 2.922 1.00 75.12 H new ATOM 0 HG2 LYS A 22 0.055 -3.070 5.136 1.00 63.15 H new ATOM 0 HG3 LYS A 22 -0.822 -4.585 5.206 1.00 63.15 H new ATOM 0 HD2 LYS A 22 1.268 -5.740 5.964 1.00 4.35 H new ATOM 0 HD3 LYS A 22 2.114 -4.205 5.932 1.00 4.35 H new ATOM 0 HE2 LYS A 22 0.514 -3.309 7.622 1.00 52.35 H new ATOM 0 HE3 LYS A 22 -0.285 -4.868 7.674 1.00 52.35 H new ATOM 0 HZ1 LYS A 22 1.312 -4.642 9.448 1.00 20.33 H new ATOM 0 HZ2 LYS A 22 1.790 -5.877 8.385 1.00 20.33 H new ATOM 0 HZ3 LYS A 22 2.564 -4.367 8.335 1.00 20.33 H new ATOM 331 N GLU A 23 -1.296 -7.052 4.221 1.00 51.03 N ATOM 332 CA GLU A 23 -2.582 -7.670 4.058 1.00 41.33 C ATOM 333 C GLU A 23 -3.535 -7.215 5.175 1.00 33.32 C ATOM 334 O GLU A 23 -3.173 -7.228 6.357 1.00 41.44 O ATOM 335 CB GLU A 23 -2.386 -9.176 4.098 1.00 44.42 C ATOM 336 CG GLU A 23 -3.514 -9.976 3.541 1.00 64.01 C ATOM 337 CD GLU A 23 -3.262 -11.448 3.707 1.00 13.52 C ATOM 338 OE1 GLU A 23 -2.553 -12.053 2.869 1.00 65.53 O ATOM 339 OE2 GLU A 23 -3.748 -12.024 4.697 1.00 10.33 O ATOM 0 H GLU A 23 -0.942 -7.027 5.177 1.00 51.03 H new ATOM 0 HA GLU A 23 -3.026 -7.379 3.106 1.00 41.33 H new ATOM 0 HB2 GLU A 23 -1.479 -9.423 3.547 1.00 44.42 H new ATOM 0 HB3 GLU A 23 -2.223 -9.478 5.133 1.00 44.42 H new ATOM 0 HG2 GLU A 23 -4.442 -9.703 4.044 1.00 64.01 H new ATOM 0 HG3 GLU A 23 -3.644 -9.742 2.484 1.00 64.01 H new ATOM 346 N PHE A 24 -4.720 -6.801 4.790 1.00 11.43 N ATOM 347 CA PHE A 24 -5.762 -6.327 5.712 1.00 60.40 C ATOM 348 C PHE A 24 -7.122 -6.720 5.211 1.00 13.14 C ATOM 349 O PHE A 24 -7.296 -7.042 4.027 1.00 32.35 O ATOM 350 CB PHE A 24 -5.793 -4.800 5.878 1.00 20.44 C ATOM 351 CG PHE A 24 -4.681 -4.140 6.623 1.00 24.12 C ATOM 352 CD1 PHE A 24 -3.557 -3.698 5.971 1.00 5.40 C ATOM 353 CD2 PHE A 24 -4.796 -3.914 7.980 1.00 63.31 C ATOM 354 CE1 PHE A 24 -2.559 -3.043 6.657 1.00 30.21 C ATOM 355 CE2 PHE A 24 -3.801 -3.269 8.672 1.00 62.53 C ATOM 356 CZ PHE A 24 -2.680 -2.829 8.008 1.00 50.32 C ATOM 0 H PHE A 24 -5.006 -6.778 3.811 1.00 11.43 H new ATOM 0 HA PHE A 24 -5.518 -6.787 6.670 1.00 60.40 H new ATOM 0 HB2 PHE A 24 -5.831 -4.359 4.882 1.00 20.44 H new ATOM 0 HB3 PHE A 24 -6.726 -4.540 6.378 1.00 20.44 H new ATOM 0 HD1 PHE A 24 -3.454 -3.866 4.909 1.00 5.40 H new ATOM 0 HD2 PHE A 24 -5.679 -4.249 8.504 1.00 63.31 H new ATOM 0 HE1 PHE A 24 -1.681 -2.697 6.132 1.00 30.21 H new ATOM 0 HE2 PHE A 24 -3.898 -3.108 9.735 1.00 62.53 H new ATOM 0 HZ PHE A 24 -1.897 -2.317 8.547 1.00 50.32 H new ATOM 366 N LEU A 25 -8.078 -6.707 6.098 1.00 53.33 N ATOM 367 CA LEU A 25 -9.445 -6.884 5.714 1.00 3.52 C ATOM 368 C LEU A 25 -9.947 -5.557 5.177 1.00 0.40 C ATOM 369 O LEU A 25 -9.843 -4.528 5.853 1.00 50.42 O ATOM 370 CB LEU A 25 -10.303 -7.256 6.927 1.00 20.44 C ATOM 371 CG LEU A 25 -9.974 -8.553 7.646 1.00 11.42 C ATOM 372 CD1 LEU A 25 -10.889 -8.720 8.844 1.00 21.12 C ATOM 373 CD2 LEU A 25 -10.132 -9.725 6.707 1.00 53.13 C ATOM 0 H LEU A 25 -7.931 -6.574 7.099 1.00 53.33 H new ATOM 0 HA LEU A 25 -9.513 -7.679 4.971 1.00 3.52 H new ATOM 0 HB2 LEU A 25 -10.234 -6.443 7.650 1.00 20.44 H new ATOM 0 HB3 LEU A 25 -11.342 -7.306 6.602 1.00 20.44 H new ATOM 0 HG LEU A 25 -8.940 -8.517 7.988 1.00 11.42 H new ATOM 0 HD11 LEU A 25 -10.650 -9.651 9.357 1.00 21.12 H new ATOM 0 HD12 LEU A 25 -10.750 -7.883 9.528 1.00 21.12 H new ATOM 0 HD13 LEU A 25 -11.926 -8.746 8.509 1.00 21.12 H new ATOM 0 HD21 LEU A 25 -9.893 -10.649 7.234 1.00 53.13 H new ATOM 0 HD22 LEU A 25 -11.160 -9.768 6.348 1.00 53.13 H new ATOM 0 HD23 LEU A 25 -9.457 -9.606 5.860 1.00 53.13 H new ATOM 385 N PHE A 26 -10.476 -5.567 3.998 1.00 11.11 N ATOM 386 CA PHE A 26 -11.040 -4.376 3.407 1.00 2.13 C ATOM 387 C PHE A 26 -12.408 -4.709 2.885 1.00 20.34 C ATOM 388 O PHE A 26 -12.753 -5.885 2.774 1.00 14.11 O ATOM 389 CB PHE A 26 -10.142 -3.797 2.293 1.00 14.34 C ATOM 390 CG PHE A 26 -8.809 -3.252 2.776 1.00 1.45 C ATOM 391 CD1 PHE A 26 -8.748 -2.036 3.443 1.00 72.43 C ATOM 392 CD2 PHE A 26 -7.624 -3.946 2.563 1.00 12.04 C ATOM 393 CE1 PHE A 26 -7.537 -1.527 3.884 1.00 50.33 C ATOM 394 CE2 PHE A 26 -6.423 -3.440 2.997 1.00 74.32 C ATOM 395 CZ PHE A 26 -6.374 -2.231 3.659 1.00 21.52 C ATOM 0 H PHE A 26 -10.534 -6.397 3.408 1.00 11.11 H new ATOM 0 HA PHE A 26 -11.111 -3.600 4.170 1.00 2.13 H new ATOM 0 HB2 PHE A 26 -9.955 -4.576 1.553 1.00 14.34 H new ATOM 0 HB3 PHE A 26 -10.684 -2.999 1.786 1.00 14.34 H new ATOM 0 HD1 PHE A 26 -9.656 -1.479 3.621 1.00 72.43 H new ATOM 0 HD2 PHE A 26 -7.648 -4.896 2.049 1.00 12.04 H new ATOM 0 HE1 PHE A 26 -7.505 -0.580 4.403 1.00 50.33 H new ATOM 0 HE2 PHE A 26 -5.512 -3.992 2.819 1.00 74.32 H new ATOM 0 HZ PHE A 26 -5.428 -1.838 4.000 1.00 21.52 H new ATOM 405 N SER A 27 -13.205 -3.734 2.596 1.00 23.23 N ATOM 406 CA SER A 27 -14.505 -4.033 2.109 1.00 21.24 C ATOM 407 C SER A 27 -14.425 -4.116 0.611 1.00 61.44 C ATOM 408 O SER A 27 -13.569 -3.464 0.002 1.00 22.12 O ATOM 409 CB SER A 27 -15.543 -2.978 2.555 1.00 2.30 C ATOM 410 OG SER A 27 -15.298 -1.702 1.979 1.00 34.24 O ATOM 0 H SER A 27 -12.983 -2.743 2.687 1.00 23.23 H new ATOM 0 HA SER A 27 -14.842 -4.983 2.524 1.00 21.24 H new ATOM 0 HB2 SER A 27 -16.542 -3.314 2.276 1.00 2.30 H new ATOM 0 HB3 SER A 27 -15.527 -2.893 3.642 1.00 2.30 H new ATOM 0 HG SER A 27 -14.487 -1.317 2.371 1.00 34.24 H new ATOM 416 N PRO A 28 -15.269 -4.924 -0.022 1.00 53.44 N ATOM 417 CA PRO A 28 -15.307 -5.017 -1.476 1.00 53.15 C ATOM 418 C PRO A 28 -15.644 -3.657 -2.138 1.00 64.33 C ATOM 419 O PRO A 28 -15.418 -3.465 -3.342 1.00 23.21 O ATOM 420 CB PRO A 28 -16.391 -6.076 -1.738 1.00 52.35 C ATOM 421 CG PRO A 28 -17.201 -6.097 -0.490 1.00 71.53 C ATOM 422 CD PRO A 28 -16.224 -5.854 0.612 1.00 1.10 C ATOM 0 HA PRO A 28 -14.343 -5.289 -1.906 1.00 53.15 H new ATOM 0 HB2 PRO A 28 -17.001 -5.814 -2.603 1.00 52.35 H new ATOM 0 HB3 PRO A 28 -15.951 -7.052 -1.942 1.00 52.35 H new ATOM 0 HG2 PRO A 28 -17.974 -5.328 -0.509 1.00 71.53 H new ATOM 0 HG3 PRO A 28 -17.707 -7.054 -0.364 1.00 71.53 H new ATOM 0 HD2 PRO A 28 -16.700 -5.415 1.489 1.00 1.10 H new ATOM 0 HD3 PRO A 28 -15.741 -6.775 0.939 1.00 1.10 H new ATOM 430 N ASN A 29 -16.139 -2.719 -1.325 1.00 45.44 N ATOM 431 CA ASN A 29 -16.490 -1.380 -1.788 1.00 4.03 C ATOM 432 C ASN A 29 -15.259 -0.447 -1.733 1.00 41.54 C ATOM 433 O ASN A 29 -15.290 0.668 -2.248 1.00 53.14 O ATOM 434 CB ASN A 29 -17.641 -0.809 -0.928 1.00 62.22 C ATOM 435 CG ASN A 29 -18.155 0.551 -1.402 1.00 41.12 C ATOM 436 OD1 ASN A 29 -18.126 0.873 -2.595 1.00 20.32 O ATOM 437 ND2 ASN A 29 -18.645 1.345 -0.480 1.00 60.13 N ATOM 0 H ASN A 29 -16.306 -2.869 -0.330 1.00 45.44 H new ATOM 0 HA ASN A 29 -16.823 -1.443 -2.824 1.00 4.03 H new ATOM 0 HB2 ASN A 29 -18.468 -1.519 -0.929 1.00 62.22 H new ATOM 0 HB3 ASN A 29 -17.300 -0.718 0.103 1.00 62.22 H new ATOM 0 HD21 ASN A 29 -19.017 2.259 -0.739 1.00 60.13 H new ATOM 0 HD22 ASN A 29 -18.654 1.049 0.496 1.00 60.13 H new ATOM 444 N ASP A 30 -14.171 -0.905 -1.114 1.00 63.21 N ATOM 445 CA ASP A 30 -12.946 -0.096 -1.050 1.00 61.11 C ATOM 446 C ASP A 30 -12.209 -0.107 -2.382 1.00 71.53 C ATOM 447 O ASP A 30 -12.350 -1.038 -3.174 1.00 33.43 O ATOM 448 CB ASP A 30 -11.995 -0.485 0.109 1.00 24.03 C ATOM 449 CG ASP A 30 -12.518 -0.137 1.491 1.00 13.44 C ATOM 450 OD1 ASP A 30 -12.615 1.072 1.817 1.00 63.33 O ATOM 451 OD2 ASP A 30 -12.834 -1.057 2.276 1.00 34.24 O ATOM 0 H ASP A 30 -14.108 -1.814 -0.656 1.00 63.21 H new ATOM 0 HA ASP A 30 -13.278 0.920 -0.836 1.00 61.11 H new ATOM 0 HB2 ASP A 30 -11.807 -1.558 0.064 1.00 24.03 H new ATOM 0 HB3 ASP A 30 -11.037 0.013 -0.040 1.00 24.03 H new ATOM 456 N SER A 31 -11.447 0.932 -2.632 1.00 50.21 N ATOM 457 CA SER A 31 -10.718 1.073 -3.869 1.00 1.11 C ATOM 458 C SER A 31 -9.279 0.586 -3.677 1.00 52.25 C ATOM 459 O SER A 31 -8.555 1.103 -2.843 1.00 55.14 O ATOM 460 CB SER A 31 -10.753 2.528 -4.274 1.00 13.05 C ATOM 461 OG SER A 31 -12.093 2.981 -4.393 1.00 21.54 O ATOM 0 H SER A 31 -11.315 1.706 -1.980 1.00 50.21 H new ATOM 0 HA SER A 31 -11.171 0.470 -4.656 1.00 1.11 H new ATOM 0 HB2 SER A 31 -10.224 3.130 -3.535 1.00 13.05 H new ATOM 0 HB3 SER A 31 -10.233 2.660 -5.223 1.00 13.05 H new ATOM 0 HG SER A 31 -12.097 3.926 -4.654 1.00 21.54 H new ATOM 467 N ALA A 32 -8.893 -0.394 -4.469 1.00 54.42 N ATOM 468 CA ALA A 32 -7.601 -1.098 -4.357 1.00 53.42 C ATOM 469 C ALA A 32 -6.360 -0.180 -4.250 1.00 71.24 C ATOM 470 O ALA A 32 -5.558 -0.326 -3.331 1.00 71.10 O ATOM 471 CB ALA A 32 -7.456 -2.020 -5.534 1.00 41.34 C ATOM 0 H ALA A 32 -9.473 -0.743 -5.232 1.00 54.42 H new ATOM 0 HA ALA A 32 -7.628 -1.643 -3.413 1.00 53.42 H new ATOM 0 HB1 ALA A 32 -6.505 -2.549 -5.467 1.00 41.34 H new ATOM 0 HB2 ALA A 32 -8.273 -2.741 -5.534 1.00 41.34 H new ATOM 0 HB3 ALA A 32 -7.484 -1.440 -6.456 1.00 41.34 H new ATOM 477 N SER A 33 -6.206 0.754 -5.163 1.00 2.22 N ATOM 478 CA SER A 33 -5.013 1.591 -5.170 1.00 42.04 C ATOM 479 C SER A 33 -5.107 2.712 -4.125 1.00 70.43 C ATOM 480 O SER A 33 -4.100 3.277 -3.708 1.00 64.00 O ATOM 481 CB SER A 33 -4.767 2.129 -6.559 1.00 44.44 C ATOM 482 OG SER A 33 -4.803 1.064 -7.489 1.00 44.25 O ATOM 0 H SER A 33 -6.878 0.956 -5.903 1.00 2.22 H new ATOM 0 HA SER A 33 -4.156 0.979 -4.889 1.00 42.04 H new ATOM 0 HB2 SER A 33 -5.523 2.873 -6.812 1.00 44.44 H new ATOM 0 HB3 SER A 33 -3.800 2.630 -6.601 1.00 44.44 H new ATOM 0 HG SER A 33 -4.874 1.425 -8.397 1.00 44.25 H new ATOM 488 N ASP A 34 -6.318 3.009 -3.704 1.00 50.11 N ATOM 489 CA ASP A 34 -6.550 3.944 -2.605 1.00 75.22 C ATOM 490 C ASP A 34 -6.042 3.255 -1.350 1.00 11.34 C ATOM 491 O ASP A 34 -5.366 3.848 -0.497 1.00 44.13 O ATOM 492 CB ASP A 34 -8.056 4.220 -2.473 1.00 42.54 C ATOM 493 CG ASP A 34 -8.422 5.254 -1.421 1.00 45.22 C ATOM 494 OD1 ASP A 34 -8.589 4.880 -0.229 1.00 25.54 O ATOM 495 OD2 ASP A 34 -8.620 6.436 -1.786 1.00 24.10 O ATOM 0 H ASP A 34 -7.169 2.616 -4.106 1.00 50.11 H new ATOM 0 HA ASP A 34 -6.043 4.895 -2.771 1.00 75.22 H new ATOM 0 HB2 ASP A 34 -8.436 4.553 -3.438 1.00 42.54 H new ATOM 0 HB3 ASP A 34 -8.564 3.285 -2.236 1.00 42.54 H new ATOM 500 N ILE A 35 -6.349 1.969 -1.279 1.00 73.01 N ATOM 501 CA ILE A 35 -5.900 1.087 -0.221 1.00 75.23 C ATOM 502 C ILE A 35 -4.366 0.969 -0.224 1.00 2.03 C ATOM 503 O ILE A 35 -3.752 0.835 0.827 1.00 4.20 O ATOM 504 CB ILE A 35 -6.511 -0.320 -0.393 1.00 14.42 C ATOM 505 CG1 ILE A 35 -8.026 -0.300 -0.234 1.00 73.13 C ATOM 506 CG2 ILE A 35 -5.896 -1.289 0.563 1.00 10.54 C ATOM 507 CD1 ILE A 35 -8.657 -1.654 -0.448 1.00 50.31 C ATOM 0 H ILE A 35 -6.931 1.502 -1.974 1.00 73.01 H new ATOM 0 HA ILE A 35 -6.227 1.513 0.727 1.00 75.23 H new ATOM 0 HB ILE A 35 -6.289 -0.647 -1.409 1.00 14.42 H new ATOM 0 HG12 ILE A 35 -8.277 0.058 0.764 1.00 73.13 H new ATOM 0 HG13 ILE A 35 -8.451 0.410 -0.944 1.00 73.13 H new ATOM 0 HG21 ILE A 35 -6.343 -2.273 0.422 1.00 10.54 H new ATOM 0 HG22 ILE A 35 -4.823 -1.349 0.381 1.00 10.54 H new ATOM 0 HG23 ILE A 35 -6.072 -0.953 1.585 1.00 10.54 H new ATOM 0 HD11 ILE A 35 -9.737 -1.576 -0.322 1.00 50.31 H new ATOM 0 HD12 ILE A 35 -8.434 -2.004 -1.456 1.00 50.31 H new ATOM 0 HD13 ILE A 35 -8.257 -2.361 0.279 1.00 50.31 H new ATOM 519 N ALA A 36 -3.767 1.004 -1.408 1.00 55.51 N ATOM 520 CA ALA A 36 -2.312 0.981 -1.552 1.00 12.43 C ATOM 521 C ALA A 36 -1.646 2.071 -0.710 1.00 14.24 C ATOM 522 O ALA A 36 -0.560 1.876 -0.193 1.00 31.31 O ATOM 523 CB ALA A 36 -1.905 1.119 -3.007 1.00 3.11 C ATOM 0 H ALA A 36 -4.271 1.049 -2.293 1.00 55.51 H new ATOM 0 HA ALA A 36 -1.968 0.014 -1.186 1.00 12.43 H new ATOM 0 HB1 ALA A 36 -0.818 1.099 -3.084 1.00 3.11 H new ATOM 0 HB2 ALA A 36 -2.325 0.294 -3.582 1.00 3.11 H new ATOM 0 HB3 ALA A 36 -2.279 2.064 -3.401 1.00 3.11 H new ATOM 529 N LYS A 37 -2.321 3.203 -0.554 1.00 1.25 N ATOM 530 CA LYS A 37 -1.798 4.298 0.237 1.00 50.33 C ATOM 531 C LYS A 37 -1.904 3.873 1.742 1.00 12.40 C ATOM 532 O LYS A 37 -1.013 4.116 2.535 1.00 73.43 O ATOM 533 CB LYS A 37 -2.648 5.560 -0.070 1.00 23.14 C ATOM 534 CG LYS A 37 -1.990 6.968 0.053 1.00 24.05 C ATOM 535 CD LYS A 37 -1.479 7.350 1.439 1.00 41.23 C ATOM 536 CE LYS A 37 -0.108 6.787 1.754 1.00 54.03 C ATOM 537 NZ LYS A 37 0.315 7.164 3.115 1.00 71.33 N ATOM 0 H LYS A 37 -3.235 3.382 -0.969 1.00 1.25 H new ATOM 0 HA LYS A 37 -0.757 4.526 0.006 1.00 50.33 H new ATOM 0 HB2 LYS A 37 -3.025 5.462 -1.088 1.00 23.14 H new ATOM 0 HB3 LYS A 37 -3.513 5.543 0.593 1.00 23.14 H new ATOM 0 HG2 LYS A 37 -1.156 7.019 -0.647 1.00 24.05 H new ATOM 0 HG3 LYS A 37 -2.717 7.716 -0.263 1.00 24.05 H new ATOM 0 HD2 LYS A 37 -1.444 8.437 1.518 1.00 41.23 H new ATOM 0 HD3 LYS A 37 -2.188 6.999 2.189 1.00 41.23 H new ATOM 0 HE2 LYS A 37 -0.126 5.701 1.662 1.00 54.03 H new ATOM 0 HE3 LYS A 37 0.617 7.156 1.028 1.00 54.03 H new ATOM 0 HZ1 LYS A 37 1.257 6.767 3.308 1.00 71.33 H new ATOM 0 HZ2 LYS A 37 0.354 8.200 3.192 1.00 71.33 H new ATOM 0 HZ3 LYS A 37 -0.366 6.791 3.806 1.00 71.33 H new ATOM 551 N HIS A 38 -2.996 3.189 2.072 1.00 3.33 N ATOM 552 CA HIS A 38 -3.277 2.688 3.441 1.00 72.12 C ATOM 553 C HIS A 38 -2.223 1.674 3.872 1.00 31.12 C ATOM 554 O HIS A 38 -1.607 1.796 4.924 1.00 55.53 O ATOM 555 CB HIS A 38 -4.659 2.003 3.451 1.00 53.30 C ATOM 556 CG HIS A 38 -5.136 1.467 4.779 1.00 72.31 C ATOM 557 ND1 HIS A 38 -4.583 0.365 5.413 1.00 11.02 N ATOM 558 CD2 HIS A 38 -6.134 1.889 5.579 1.00 3.21 C ATOM 559 CE1 HIS A 38 -5.227 0.149 6.542 1.00 63.21 C ATOM 560 NE2 HIS A 38 -6.169 1.055 6.663 1.00 51.02 N ATOM 0 H HIS A 38 -3.727 2.957 1.399 1.00 3.33 H new ATOM 0 HA HIS A 38 -3.260 3.531 4.132 1.00 72.12 H new ATOM 0 HB2 HIS A 38 -5.397 2.718 3.087 1.00 53.30 H new ATOM 0 HB3 HIS A 38 -4.636 1.178 2.739 1.00 53.30 H new ATOM 0 HD2 HIS A 38 -6.786 2.731 5.398 1.00 3.21 H new ATOM 0 HE1 HIS A 38 -5.016 -0.640 7.248 1.00 63.21 H new ATOM 0 HE2 HIS A 38 -6.824 1.126 7.442 1.00 51.02 H new ATOM 569 N VAL A 39 -2.049 0.677 3.051 1.00 61.21 N ATOM 570 CA VAL A 39 -1.132 -0.414 3.302 1.00 75.24 C ATOM 571 C VAL A 39 0.324 0.029 3.255 1.00 65.04 C ATOM 572 O VAL A 39 1.180 -0.550 3.938 1.00 13.40 O ATOM 573 CB VAL A 39 -1.398 -1.592 2.382 1.00 20.10 C ATOM 574 CG1 VAL A 39 -2.789 -2.143 2.673 1.00 3.11 C ATOM 575 CG2 VAL A 39 -1.309 -1.164 0.951 1.00 15.03 C ATOM 0 H VAL A 39 -2.550 0.593 2.166 1.00 61.21 H new ATOM 0 HA VAL A 39 -1.317 -0.752 4.321 1.00 75.24 H new ATOM 0 HB VAL A 39 -0.650 -2.365 2.558 1.00 20.10 H new ATOM 0 HG11 VAL A 39 -2.989 -2.990 2.017 1.00 3.11 H new ATOM 0 HG12 VAL A 39 -2.841 -2.469 3.712 1.00 3.11 H new ATOM 0 HG13 VAL A 39 -3.532 -1.365 2.499 1.00 3.11 H new ATOM 0 HG21 VAL A 39 -1.502 -2.019 0.303 1.00 15.03 H new ATOM 0 HG22 VAL A 39 -2.049 -0.387 0.757 1.00 15.03 H new ATOM 0 HG23 VAL A 39 -0.311 -0.774 0.749 1.00 15.03 H new ATOM 585 N TYR A 40 0.582 1.050 2.439 1.00 2.22 N ATOM 586 CA TYR A 40 1.907 1.661 2.272 1.00 33.22 C ATOM 587 C TYR A 40 2.568 1.926 3.631 1.00 15.21 C ATOM 588 O TYR A 40 3.723 1.539 3.843 1.00 34.44 O ATOM 589 CB TYR A 40 1.721 2.994 1.519 1.00 25.41 C ATOM 590 CG TYR A 40 2.965 3.810 1.249 1.00 5.51 C ATOM 591 CD1 TYR A 40 3.688 3.631 0.090 1.00 13.40 C ATOM 592 CD2 TYR A 40 3.395 4.782 2.146 1.00 71.55 C ATOM 593 CE1 TYR A 40 4.806 4.382 -0.176 1.00 34.31 C ATOM 594 CE2 TYR A 40 4.512 5.544 1.886 1.00 11.34 C ATOM 595 CZ TYR A 40 5.215 5.338 0.722 1.00 74.11 C ATOM 596 OH TYR A 40 6.325 6.103 0.448 1.00 23.40 O ATOM 0 H TYR A 40 -0.137 1.487 1.862 1.00 2.22 H new ATOM 0 HA TYR A 40 2.553 0.983 1.714 1.00 33.22 H new ATOM 0 HB2 TYR A 40 1.243 2.779 0.563 1.00 25.41 H new ATOM 0 HB3 TYR A 40 1.028 3.612 2.090 1.00 25.41 H new ATOM 0 HD1 TYR A 40 3.369 2.885 -0.623 1.00 13.40 H new ATOM 0 HD2 TYR A 40 2.844 4.942 3.061 1.00 71.55 H new ATOM 0 HE1 TYR A 40 5.362 4.222 -1.088 1.00 34.31 H new ATOM 0 HE2 TYR A 40 4.833 6.297 2.590 1.00 11.34 H new ATOM 0 HH TYR A 40 6.478 6.732 1.183 1.00 23.40 H new ATOM 870 N LEU A 58 -1.584 5.914 -9.323 1.00 2.03 N ATOM 871 CA LEU A 58 -2.213 4.826 -8.643 1.00 70.30 C ATOM 872 C LEU A 58 -3.011 3.953 -9.587 1.00 51.41 C ATOM 873 O LEU A 58 -4.026 4.363 -10.155 1.00 71.33 O ATOM 874 CB LEU A 58 -2.958 5.290 -7.337 1.00 14.35 C ATOM 875 CG LEU A 58 -4.001 6.445 -7.404 1.00 22.15 C ATOM 876 CD1 LEU A 58 -5.297 6.028 -8.074 1.00 61.41 C ATOM 877 CD2 LEU A 58 -4.275 6.989 -6.011 1.00 4.42 C ATOM 0 HA LEU A 58 -1.435 4.161 -8.269 1.00 70.30 H new ATOM 0 HB2 LEU A 58 -3.466 4.418 -6.926 1.00 14.35 H new ATOM 0 HB3 LEU A 58 -2.195 5.583 -6.616 1.00 14.35 H new ATOM 0 HG LEU A 58 -3.566 7.231 -8.022 1.00 22.15 H new ATOM 0 HD11 LEU A 58 -5.985 6.873 -8.092 1.00 61.41 H new ATOM 0 HD12 LEU A 58 -5.092 5.705 -9.095 1.00 61.41 H new ATOM 0 HD13 LEU A 58 -5.746 5.206 -7.517 1.00 61.41 H new ATOM 0 HD21 LEU A 58 -5.006 7.796 -6.073 1.00 4.42 H new ATOM 0 HD22 LEU A 58 -4.667 6.192 -5.380 1.00 4.42 H new ATOM 0 HD23 LEU A 58 -3.349 7.370 -5.581 1.00 4.42 H new ATOM 889 N ARG A 59 -2.487 2.768 -9.809 1.00 41.31 N ATOM 890 CA ARG A 59 -3.080 1.776 -10.686 1.00 42.42 C ATOM 891 C ARG A 59 -2.887 0.399 -10.107 1.00 60.23 C ATOM 892 O ARG A 59 -2.052 0.205 -9.223 1.00 41.02 O ATOM 893 CB ARG A 59 -2.532 1.875 -12.123 1.00 51.44 C ATOM 894 CG ARG A 59 -2.990 3.129 -12.849 1.00 65.45 C ATOM 895 CD ARG A 59 -2.377 3.291 -14.215 1.00 24.24 C ATOM 896 NE ARG A 59 -2.923 4.482 -14.877 1.00 52.23 N ATOM 897 CZ ARG A 59 -2.352 5.156 -15.874 1.00 43.21 C ATOM 898 NH1 ARG A 59 -1.188 4.770 -16.365 1.00 43.33 N ATOM 899 NH2 ARG A 59 -2.958 6.224 -16.380 1.00 32.43 N ATOM 0 H ARG A 59 -1.617 2.458 -9.376 1.00 41.31 H new ATOM 0 HA ARG A 59 -4.150 1.975 -10.754 1.00 42.42 H new ATOM 0 HB2 ARG A 59 -1.443 1.857 -12.092 1.00 51.44 H new ATOM 0 HB3 ARG A 59 -2.849 0.999 -12.688 1.00 51.44 H new ATOM 0 HG2 ARG A 59 -4.075 3.106 -12.947 1.00 65.45 H new ATOM 0 HG3 ARG A 59 -2.743 4.001 -12.243 1.00 65.45 H new ATOM 0 HD2 ARG A 59 -1.294 3.379 -14.128 1.00 24.24 H new ATOM 0 HD3 ARG A 59 -2.577 2.406 -14.819 1.00 24.24 H new ATOM 0 HE ARG A 59 -3.823 4.825 -14.542 1.00 52.23 H new ATOM 0 HH11 ARG A 59 -0.719 3.950 -15.981 1.00 43.33 H new ATOM 0 HH12 ARG A 59 -0.758 5.292 -17.129 1.00 43.33 H new ATOM 0 HH21 ARG A 59 -3.857 6.525 -16.005 1.00 32.43 H new ATOM 0 HH22 ARG A 59 -2.524 6.743 -17.143 1.00 32.43 H new ATOM 913 N LEU A 60 -3.638 -0.549 -10.585 1.00 50.32 N ATOM 914 CA LEU A 60 -3.614 -1.859 -10.003 1.00 34.32 C ATOM 915 C LEU A 60 -3.411 -2.958 -11.020 1.00 0.32 C ATOM 916 O LEU A 60 -3.921 -2.896 -12.139 1.00 54.32 O ATOM 917 CB LEU A 60 -4.871 -2.056 -9.143 1.00 73.35 C ATOM 918 CG LEU A 60 -6.229 -1.823 -9.817 1.00 22.11 C ATOM 919 CD1 LEU A 60 -6.654 -2.979 -10.696 1.00 42.31 C ATOM 920 CD2 LEU A 60 -7.271 -1.503 -8.801 1.00 63.11 C ATOM 0 H LEU A 60 -4.274 -0.440 -11.375 1.00 50.32 H new ATOM 0 HA LEU A 60 -2.740 -1.932 -9.356 1.00 34.32 H new ATOM 0 HB2 LEU A 60 -4.858 -3.074 -8.755 1.00 73.35 H new ATOM 0 HB3 LEU A 60 -4.801 -1.387 -8.285 1.00 73.35 H new ATOM 0 HG LEU A 60 -6.113 -0.965 -10.479 1.00 22.11 H new ATOM 0 HD11 LEU A 60 -7.622 -2.757 -11.146 1.00 42.31 H new ATOM 0 HD12 LEU A 60 -5.914 -3.129 -11.482 1.00 42.31 H new ATOM 0 HD13 LEU A 60 -6.733 -3.884 -10.094 1.00 42.31 H new ATOM 0 HD21 LEU A 60 -8.227 -1.341 -9.299 1.00 63.11 H new ATOM 0 HD22 LEU A 60 -7.363 -2.333 -8.100 1.00 63.11 H new ATOM 0 HD23 LEU A 60 -6.986 -0.601 -8.260 1.00 63.11 H new ATOM 932 N ILE A 61 -2.661 -3.943 -10.620 1.00 21.54 N ATOM 933 CA ILE A 61 -2.346 -5.089 -11.422 1.00 3.32 C ATOM 934 C ILE A 61 -2.912 -6.331 -10.731 1.00 43.11 C ATOM 935 O ILE A 61 -2.582 -6.617 -9.566 1.00 51.02 O ATOM 936 CB ILE A 61 -0.810 -5.234 -11.568 1.00 5.02 C ATOM 937 CG1 ILE A 61 -0.242 -3.996 -12.250 1.00 44.22 C ATOM 938 CG2 ILE A 61 -0.454 -6.487 -12.365 1.00 12.11 C ATOM 939 CD1 ILE A 61 1.273 -3.950 -12.306 1.00 41.03 C ATOM 0 H ILE A 61 -2.237 -3.971 -9.693 1.00 21.54 H new ATOM 0 HA ILE A 61 -2.781 -4.974 -12.415 1.00 3.32 H new ATOM 0 HB ILE A 61 -0.373 -5.331 -10.574 1.00 5.02 H new ATOM 0 HG12 ILE A 61 -0.633 -3.945 -13.266 1.00 44.22 H new ATOM 0 HG13 ILE A 61 -0.601 -3.110 -11.726 1.00 44.22 H new ATOM 0 HG21 ILE A 61 0.630 -6.566 -12.454 1.00 12.11 H new ATOM 0 HG22 ILE A 61 -0.841 -7.367 -11.852 1.00 12.11 H new ATOM 0 HG23 ILE A 61 -0.896 -6.423 -13.359 1.00 12.11 H new ATOM 0 HD11 ILE A 61 1.591 -3.036 -12.807 1.00 41.03 H new ATOM 0 HD12 ILE A 61 1.675 -3.967 -11.293 1.00 41.03 H new ATOM 0 HD13 ILE A 61 1.643 -4.814 -12.858 1.00 41.03 H new ATOM 951 N TYR A 62 -3.722 -7.083 -11.422 1.00 55.51 N ATOM 952 CA TYR A 62 -4.363 -8.232 -10.810 1.00 74.24 C ATOM 953 C TYR A 62 -3.636 -9.505 -11.225 1.00 0.13 C ATOM 954 O TYR A 62 -4.186 -10.385 -11.899 1.00 3.41 O ATOM 955 CB TYR A 62 -5.868 -8.258 -11.159 1.00 33.31 C ATOM 956 CG TYR A 62 -6.722 -9.320 -10.453 1.00 74.32 C ATOM 957 CD1 TYR A 62 -6.268 -9.992 -9.322 1.00 4.32 C ATOM 958 CD2 TYR A 62 -7.994 -9.635 -10.930 1.00 72.23 C ATOM 959 CE1 TYR A 62 -7.047 -10.940 -8.698 1.00 13.35 C ATOM 960 CE2 TYR A 62 -8.778 -10.579 -10.313 1.00 71.11 C ATOM 961 CZ TYR A 62 -8.298 -11.230 -9.196 1.00 25.12 C ATOM 962 OH TYR A 62 -9.065 -12.180 -8.588 1.00 4.40 O ATOM 0 H TYR A 62 -3.958 -6.930 -12.402 1.00 55.51 H new ATOM 0 HA TYR A 62 -4.298 -8.161 -9.724 1.00 74.24 H new ATOM 0 HB2 TYR A 62 -6.287 -7.278 -10.931 1.00 33.31 H new ATOM 0 HB3 TYR A 62 -5.965 -8.404 -12.235 1.00 33.31 H new ATOM 0 HD1 TYR A 62 -5.288 -9.766 -8.927 1.00 4.32 H new ATOM 0 HD2 TYR A 62 -8.371 -9.125 -11.804 1.00 72.23 H new ATOM 0 HE1 TYR A 62 -6.679 -11.454 -7.822 1.00 13.35 H new ATOM 0 HE2 TYR A 62 -9.760 -10.809 -10.699 1.00 71.11 H new ATOM 0 HH TYR A 62 -9.919 -12.263 -9.062 1.00 4.40 H new ATOM 972 N GLN A 63 -2.353 -9.543 -10.850 1.00 73.22 N ATOM 973 CA GLN A 63 -1.452 -10.662 -11.079 1.00 52.22 C ATOM 974 C GLN A 63 -1.207 -10.922 -12.570 1.00 73.21 C ATOM 975 O GLN A 63 -0.707 -11.979 -12.954 1.00 22.43 O ATOM 976 CB GLN A 63 -1.942 -11.914 -10.349 1.00 52.42 C ATOM 977 CG GLN A 63 -2.066 -11.721 -8.843 1.00 0.42 C ATOM 978 CD GLN A 63 -2.485 -12.977 -8.108 1.00 12.32 C ATOM 979 OE1 GLN A 63 -1.642 -13.776 -7.682 1.00 25.35 O ATOM 980 NE2 GLN A 63 -3.764 -13.160 -7.936 1.00 20.53 N ATOM 0 H GLN A 63 -1.905 -8.767 -10.363 1.00 73.22 H new ATOM 0 HA GLN A 63 -0.483 -10.390 -10.659 1.00 52.22 H new ATOM 0 HB2 GLN A 63 -2.912 -12.206 -10.752 1.00 52.42 H new ATOM 0 HB3 GLN A 63 -1.254 -12.735 -10.548 1.00 52.42 H new ATOM 0 HG2 GLN A 63 -1.109 -11.380 -8.448 1.00 0.42 H new ATOM 0 HG3 GLN A 63 -2.792 -10.933 -8.644 1.00 0.42 H new ATOM 0 HE21 GLN A 63 -4.430 -12.480 -8.301 1.00 20.53 H new ATOM 0 HE22 GLN A 63 -4.099 -13.984 -7.436 1.00 20.53 H new ATOM 989 N GLY A 64 -1.520 -9.939 -13.393 1.00 44.52 N ATOM 990 CA GLY A 64 -1.301 -10.067 -14.804 1.00 72.14 C ATOM 991 C GLY A 64 -1.267 -8.729 -15.494 1.00 61.21 C ATOM 992 O GLY A 64 -0.223 -8.304 -16.002 1.00 61.20 O ATOM 0 H GLY A 64 -1.925 -9.049 -13.101 1.00 44.52 H new ATOM 0 HA2 GLY A 64 -0.360 -10.589 -14.979 1.00 72.14 H new ATOM 0 HA3 GLY A 64 -2.091 -10.679 -15.239 1.00 72.14 H new ATOM 996 N ARG A 65 -2.388 -8.058 -15.496 1.00 72.20 N ATOM 997 CA ARG A 65 -2.521 -6.783 -16.173 1.00 43.31 C ATOM 998 C ARG A 65 -3.146 -5.754 -15.253 1.00 2.42 C ATOM 999 O ARG A 65 -3.552 -6.074 -14.120 1.00 33.12 O ATOM 1000 CB ARG A 65 -3.406 -6.934 -17.416 1.00 25.33 C ATOM 1001 CG ARG A 65 -4.805 -7.422 -17.102 1.00 63.32 C ATOM 1002 CD ARG A 65 -5.695 -7.436 -18.319 1.00 60.31 C ATOM 1003 NE ARG A 65 -7.017 -7.965 -17.991 1.00 14.44 N ATOM 1004 CZ ARG A 65 -8.140 -7.711 -18.657 1.00 50.45 C ATOM 1005 NH1 ARG A 65 -8.137 -6.874 -19.682 1.00 0.14 N ATOM 1006 NH2 ARG A 65 -9.272 -8.288 -18.278 1.00 21.32 N ATOM 0 H ARG A 65 -3.238 -8.375 -15.030 1.00 72.20 H new ATOM 0 HA ARG A 65 -1.525 -6.451 -16.465 1.00 43.31 H new ATOM 0 HB2 ARG A 65 -3.470 -5.973 -17.926 1.00 25.33 H new ATOM 0 HB3 ARG A 65 -2.933 -7.631 -18.108 1.00 25.33 H new ATOM 0 HG2 ARG A 65 -4.751 -8.427 -16.683 1.00 63.32 H new ATOM 0 HG3 ARG A 65 -5.248 -6.782 -16.339 1.00 63.32 H new ATOM 0 HD2 ARG A 65 -5.791 -6.425 -18.716 1.00 60.31 H new ATOM 0 HD3 ARG A 65 -5.239 -8.043 -19.101 1.00 60.31 H new ATOM 0 HE ARG A 65 -7.084 -8.582 -17.182 1.00 14.44 H new ATOM 0 HH11 ARG A 65 -7.270 -6.419 -19.966 1.00 0.14 H new ATOM 0 HH12 ARG A 65 -9.002 -6.684 -20.188 1.00 0.14 H new ATOM 0 HH21 ARG A 65 -9.278 -8.923 -17.480 1.00 21.32 H new ATOM 0 HH22 ARG A 65 -10.136 -8.097 -18.785 1.00 21.32 H new ATOM 1020 N PHE A 66 -3.239 -4.530 -15.744 1.00 25.15 N ATOM 1021 CA PHE A 66 -3.902 -3.462 -15.036 1.00 33.10 C ATOM 1022 C PHE A 66 -5.374 -3.526 -15.391 1.00 72.24 C ATOM 1023 O PHE A 66 -5.734 -3.466 -16.573 1.00 63.00 O ATOM 1024 CB PHE A 66 -3.372 -2.086 -15.468 1.00 44.33 C ATOM 1025 CG PHE A 66 -1.903 -1.833 -15.268 1.00 60.44 C ATOM 1026 CD1 PHE A 66 -0.991 -2.168 -16.255 1.00 74.21 C ATOM 1027 CD2 PHE A 66 -1.436 -1.236 -14.114 1.00 31.23 C ATOM 1028 CE1 PHE A 66 0.354 -1.913 -16.095 1.00 24.13 C ATOM 1029 CE2 PHE A 66 -0.092 -0.983 -13.947 1.00 51.12 C ATOM 1030 CZ PHE A 66 0.804 -1.321 -14.938 1.00 4.24 C ATOM 0 H PHE A 66 -2.854 -4.254 -16.647 1.00 25.15 H new ATOM 0 HA PHE A 66 -3.725 -3.582 -13.967 1.00 33.10 H new ATOM 0 HB2 PHE A 66 -3.599 -1.951 -16.525 1.00 44.33 H new ATOM 0 HB3 PHE A 66 -3.926 -1.322 -14.923 1.00 44.33 H new ATOM 0 HD1 PHE A 66 -1.339 -2.636 -17.164 1.00 74.21 H new ATOM 0 HD2 PHE A 66 -2.132 -0.964 -13.334 1.00 31.23 H new ATOM 0 HE1 PHE A 66 1.052 -2.177 -16.875 1.00 24.13 H new ATOM 0 HE2 PHE A 66 0.260 -0.519 -13.038 1.00 51.12 H new ATOM 0 HZ PHE A 66 1.857 -1.121 -14.806 1.00 4.24 H new ATOM 1040 N LEU A 67 -6.212 -3.689 -14.410 1.00 62.22 N ATOM 1041 CA LEU A 67 -7.657 -3.739 -14.664 1.00 71.40 C ATOM 1042 C LEU A 67 -8.199 -2.340 -14.827 1.00 53.52 C ATOM 1043 O LEU A 67 -8.934 -2.036 -15.765 1.00 32.12 O ATOM 1044 CB LEU A 67 -8.361 -4.427 -13.520 1.00 31.04 C ATOM 1045 CG LEU A 67 -7.879 -5.828 -13.191 1.00 52.31 C ATOM 1046 CD1 LEU A 67 -8.612 -6.337 -11.992 1.00 21.31 C ATOM 1047 CD2 LEU A 67 -8.077 -6.770 -14.373 1.00 24.10 C ATOM 0 H LEU A 67 -5.944 -3.790 -13.431 1.00 62.22 H new ATOM 0 HA LEU A 67 -7.834 -4.302 -15.581 1.00 71.40 H new ATOM 0 HB2 LEU A 67 -8.255 -3.809 -12.629 1.00 31.04 H new ATOM 0 HB3 LEU A 67 -9.425 -4.475 -13.750 1.00 31.04 H new ATOM 0 HG LEU A 67 -6.811 -5.788 -12.975 1.00 52.31 H new ATOM 0 HD11 LEU A 67 -8.267 -7.343 -11.755 1.00 21.31 H new ATOM 0 HD12 LEU A 67 -8.423 -5.679 -11.144 1.00 21.31 H new ATOM 0 HD13 LEU A 67 -9.681 -6.360 -12.202 1.00 21.31 H new ATOM 0 HD21 LEU A 67 -7.723 -7.766 -14.108 1.00 24.10 H new ATOM 0 HD22 LEU A 67 -9.136 -6.817 -14.627 1.00 24.10 H new ATOM 0 HD23 LEU A 67 -7.514 -6.401 -15.230 1.00 24.10 H new ATOM 1059 N HIS A 68 -7.801 -1.500 -13.911 1.00 45.23 N ATOM 1060 CA HIS A 68 -8.171 -0.102 -13.831 1.00 62.10 C ATOM 1061 C HIS A 68 -7.204 0.573 -12.920 1.00 23.11 C ATOM 1062 O HIS A 68 -6.223 -0.048 -12.483 1.00 21.43 O ATOM 1063 CB HIS A 68 -9.609 0.114 -13.297 1.00 35.24 C ATOM 1064 CG HIS A 68 -10.714 -0.071 -14.289 1.00 42.50 C ATOM 1065 ND1 HIS A 68 -11.617 -1.110 -14.244 1.00 74.43 N ATOM 1066 CD2 HIS A 68 -11.090 0.704 -15.333 1.00 3.01 C ATOM 1067 CE1 HIS A 68 -12.493 -0.958 -15.212 1.00 54.03 C ATOM 1068 NE2 HIS A 68 -12.194 0.130 -15.884 1.00 64.43 N ATOM 0 H HIS A 68 -7.175 -1.782 -13.156 1.00 45.23 H new ATOM 0 HA HIS A 68 -8.144 0.315 -14.838 1.00 62.10 H new ATOM 0 HB2 HIS A 68 -9.774 -0.574 -12.467 1.00 35.24 H new ATOM 0 HB3 HIS A 68 -9.677 1.124 -12.892 1.00 35.24 H new ATOM 0 HD2 HIS A 68 -10.604 1.609 -15.667 1.00 3.01 H new ATOM 0 HE1 HIS A 68 -13.322 -1.619 -15.420 1.00 54.03 H new ATOM 0 HE2 HIS A 68 -12.707 0.488 -16.690 1.00 64.43 H new ATOM 1077 N GLY A 69 -7.456 1.805 -12.624 1.00 43.31 N ATOM 1078 CA GLY A 69 -6.584 2.534 -11.780 1.00 5.33 C ATOM 1079 C GLY A 69 -6.849 2.326 -10.307 1.00 53.32 C ATOM 1080 O GLY A 69 -5.930 2.227 -9.534 1.00 42.22 O ATOM 0 H GLY A 69 -8.266 2.326 -12.959 1.00 43.31 H new ATOM 0 HA2 GLY A 69 -5.556 2.246 -11.999 1.00 5.33 H new ATOM 0 HA3 GLY A 69 -6.674 3.596 -12.010 1.00 5.33 H new ATOM 1084 N ASN A 70 -8.103 2.209 -9.928 1.00 52.22 N ATOM 1085 CA ASN A 70 -8.463 2.174 -8.526 1.00 43.02 C ATOM 1086 C ASN A 70 -9.867 1.547 -8.384 1.00 52.31 C ATOM 1087 O ASN A 70 -10.685 1.944 -7.551 1.00 72.21 O ATOM 1088 CB ASN A 70 -8.427 3.620 -7.995 1.00 63.21 C ATOM 1089 CG ASN A 70 -8.552 3.715 -6.501 1.00 10.13 C ATOM 1090 OD1 ASN A 70 -8.150 2.805 -5.779 1.00 53.01 O ATOM 1091 ND2 ASN A 70 -9.082 4.818 -6.017 1.00 51.24 N ATOM 0 H ASN A 70 -8.891 2.136 -10.571 1.00 52.22 H new ATOM 0 HA ASN A 70 -7.768 1.567 -7.946 1.00 43.02 H new ATOM 0 HB2 ASN A 70 -7.492 4.088 -8.304 1.00 63.21 H new ATOM 0 HB3 ASN A 70 -9.235 4.188 -8.456 1.00 63.21 H new ATOM 0 HD21 ASN A 70 -9.171 4.941 -5.008 1.00 51.24 H new ATOM 0 HD22 ASN A 70 -9.404 5.550 -6.650 1.00 51.24 H new ATOM 1098 N VAL A 71 -10.100 0.529 -9.196 1.00 74.14 N ATOM 1099 CA VAL A 71 -11.347 -0.223 -9.207 1.00 60.15 C ATOM 1100 C VAL A 71 -11.512 -0.987 -7.885 1.00 60.13 C ATOM 1101 O VAL A 71 -10.520 -1.386 -7.253 1.00 72.14 O ATOM 1102 CB VAL A 71 -11.429 -1.164 -10.474 1.00 3.42 C ATOM 1103 CG1 VAL A 71 -10.267 -2.123 -10.565 1.00 62.12 C ATOM 1104 CG2 VAL A 71 -12.730 -1.910 -10.547 1.00 62.33 C ATOM 0 H VAL A 71 -9.418 0.196 -9.877 1.00 74.14 H new ATOM 0 HA VAL A 71 -12.185 0.470 -9.287 1.00 60.15 H new ATOM 0 HB VAL A 71 -11.373 -0.497 -11.335 1.00 3.42 H new ATOM 0 HG11 VAL A 71 -10.376 -2.744 -11.454 1.00 62.12 H new ATOM 0 HG12 VAL A 71 -9.335 -1.561 -10.627 1.00 62.12 H new ATOM 0 HG13 VAL A 71 -10.249 -2.758 -9.679 1.00 62.12 H new ATOM 0 HG21 VAL A 71 -12.737 -2.543 -11.435 1.00 62.33 H new ATOM 0 HG22 VAL A 71 -12.844 -2.531 -9.658 1.00 62.33 H new ATOM 0 HG23 VAL A 71 -13.554 -1.199 -10.601 1.00 62.33 H new ATOM 1114 N THR A 72 -12.743 -1.143 -7.455 1.00 40.23 N ATOM 1115 CA THR A 72 -13.035 -1.751 -6.188 1.00 40.54 C ATOM 1116 C THR A 72 -12.928 -3.272 -6.262 1.00 23.02 C ATOM 1117 O THR A 72 -13.074 -3.860 -7.330 1.00 51.21 O ATOM 1118 CB THR A 72 -14.444 -1.331 -5.718 1.00 35.42 C ATOM 1119 OG1 THR A 72 -15.408 -1.643 -6.742 1.00 70.43 O ATOM 1120 CG2 THR A 72 -14.490 0.164 -5.441 1.00 63.32 C ATOM 0 H THR A 72 -13.568 -0.850 -7.979 1.00 40.23 H new ATOM 0 HA THR A 72 -12.297 -1.404 -5.465 1.00 40.54 H new ATOM 0 HB THR A 72 -14.678 -1.874 -4.802 1.00 35.42 H new ATOM 0 HG1 THR A 72 -16.302 -1.377 -6.441 1.00 70.43 H new ATOM 0 HG21 THR A 72 -15.491 0.442 -5.111 1.00 63.32 H new ATOM 0 HG22 THR A 72 -13.769 0.412 -4.662 1.00 63.32 H new ATOM 0 HG23 THR A 72 -14.243 0.710 -6.351 1.00 63.32 H new ATOM 1128 N LEU A 73 -12.706 -3.896 -5.119 1.00 15.04 N ATOM 1129 CA LEU A 73 -12.504 -5.330 -5.030 1.00 63.01 C ATOM 1130 C LEU A 73 -13.761 -6.124 -5.402 1.00 11.01 C ATOM 1131 O LEU A 73 -13.672 -7.229 -5.931 1.00 61.11 O ATOM 1132 CB LEU A 73 -12.006 -5.717 -3.641 1.00 21.04 C ATOM 1133 CG LEU A 73 -10.651 -5.117 -3.192 1.00 40.54 C ATOM 1134 CD1 LEU A 73 -9.569 -5.313 -4.231 1.00 45.32 C ATOM 1135 CD2 LEU A 73 -10.757 -3.666 -2.757 1.00 22.02 C ATOM 0 H LEU A 73 -12.661 -3.417 -4.219 1.00 15.04 H new ATOM 0 HA LEU A 73 -11.740 -5.591 -5.762 1.00 63.01 H new ATOM 0 HB2 LEU A 73 -12.764 -5.424 -2.915 1.00 21.04 H new ATOM 0 HB3 LEU A 73 -11.927 -6.803 -3.599 1.00 21.04 H new ATOM 0 HG LEU A 73 -10.356 -5.680 -2.306 1.00 40.54 H new ATOM 0 HD11 LEU A 73 -8.637 -4.876 -3.872 1.00 45.32 H new ATOM 0 HD12 LEU A 73 -9.425 -6.379 -4.410 1.00 45.32 H new ATOM 0 HD13 LEU A 73 -9.864 -4.826 -5.160 1.00 45.32 H new ATOM 0 HD21 LEU A 73 -9.774 -3.304 -2.454 1.00 22.02 H new ATOM 0 HD22 LEU A 73 -11.126 -3.063 -3.587 1.00 22.02 H new ATOM 0 HD23 LEU A 73 -11.447 -3.587 -1.917 1.00 22.02 H new ATOM 1147 N GLY A 74 -14.929 -5.550 -5.137 1.00 14.45 N ATOM 1148 CA GLY A 74 -16.182 -6.197 -5.507 1.00 14.13 C ATOM 1149 C GLY A 74 -16.333 -6.278 -7.013 1.00 63.30 C ATOM 1150 O GLY A 74 -16.918 -7.217 -7.549 1.00 10.05 O ATOM 0 H GLY A 74 -15.035 -4.648 -4.673 1.00 14.45 H new ATOM 0 HA2 GLY A 74 -16.216 -7.200 -5.081 1.00 14.13 H new ATOM 0 HA3 GLY A 74 -17.020 -5.642 -5.084 1.00 14.13 H new ATOM 1154 N ALA A 75 -15.756 -5.302 -7.694 1.00 71.23 N ATOM 1155 CA ALA A 75 -15.778 -5.223 -9.142 1.00 73.12 C ATOM 1156 C ALA A 75 -14.799 -6.243 -9.737 1.00 21.35 C ATOM 1157 O ALA A 75 -14.849 -6.563 -10.931 1.00 71.22 O ATOM 1158 CB ALA A 75 -15.430 -3.802 -9.593 1.00 64.53 C ATOM 0 H ALA A 75 -15.253 -4.534 -7.250 1.00 71.23 H new ATOM 0 HA ALA A 75 -16.779 -5.460 -9.501 1.00 73.12 H new ATOM 0 HB1 ALA A 75 -15.449 -3.751 -10.682 1.00 64.53 H new ATOM 0 HB2 ALA A 75 -16.159 -3.102 -9.184 1.00 64.53 H new ATOM 0 HB3 ALA A 75 -14.435 -3.540 -9.235 1.00 64.53 H new ATOM 1164 N LEU A 76 -13.918 -6.747 -8.888 1.00 53.55 N ATOM 1165 CA LEU A 76 -12.878 -7.676 -9.284 1.00 53.40 C ATOM 1166 C LEU A 76 -13.317 -9.123 -9.114 1.00 34.31 C ATOM 1167 O LEU A 76 -12.497 -10.045 -9.207 1.00 32.21 O ATOM 1168 CB LEU A 76 -11.654 -7.417 -8.445 1.00 23.33 C ATOM 1169 CG LEU A 76 -11.160 -5.992 -8.462 1.00 12.02 C ATOM 1170 CD1 LEU A 76 -9.942 -5.859 -7.642 1.00 72.52 C ATOM 1171 CD2 LEU A 76 -10.910 -5.539 -9.854 1.00 62.43 C ATOM 0 H LEU A 76 -13.907 -6.518 -7.894 1.00 53.55 H new ATOM 0 HA LEU A 76 -12.661 -7.521 -10.341 1.00 53.40 H new ATOM 0 HB2 LEU A 76 -11.872 -7.698 -7.415 1.00 23.33 H new ATOM 0 HB3 LEU A 76 -10.851 -8.068 -8.790 1.00 23.33 H new ATOM 0 HG LEU A 76 -11.933 -5.355 -8.033 1.00 12.02 H new ATOM 0 HD11 LEU A 76 -9.599 -4.825 -7.665 1.00 72.52 H new ATOM 0 HD12 LEU A 76 -10.163 -6.145 -6.614 1.00 72.52 H new ATOM 0 HD13 LEU A 76 -9.163 -6.509 -8.040 1.00 72.52 H new ATOM 0 HD21 LEU A 76 -10.554 -4.509 -9.843 1.00 62.43 H new ATOM 0 HD22 LEU A 76 -10.157 -6.178 -10.315 1.00 62.43 H new ATOM 0 HD23 LEU A 76 -11.835 -5.597 -10.427 1.00 62.43 H new ATOM 1183 N LYS A 77 -14.621 -9.319 -8.882 1.00 53.35 N ATOM 1184 CA LYS A 77 -15.235 -10.659 -8.745 1.00 14.53 C ATOM 1185 C LYS A 77 -14.753 -11.353 -7.476 1.00 40.15 C ATOM 1186 O LYS A 77 -14.893 -12.569 -7.327 1.00 61.55 O ATOM 1187 CB LYS A 77 -14.980 -11.580 -10.001 1.00 40.42 C ATOM 1188 CG LYS A 77 -15.564 -11.081 -11.341 1.00 42.43 C ATOM 1189 CD LYS A 77 -14.886 -9.808 -11.819 1.00 21.15 C ATOM 1190 CE LYS A 77 -15.537 -9.229 -13.049 1.00 22.24 C ATOM 1191 NZ LYS A 77 -14.933 -7.931 -13.399 1.00 54.33 N ATOM 0 H LYS A 77 -15.288 -8.554 -8.783 1.00 53.35 H new ATOM 0 HA LYS A 77 -16.311 -10.498 -8.677 1.00 14.53 H new ATOM 0 HB2 LYS A 77 -13.904 -11.705 -10.121 1.00 40.42 H new ATOM 0 HB3 LYS A 77 -15.394 -12.566 -9.793 1.00 40.42 H new ATOM 0 HG2 LYS A 77 -15.451 -11.858 -12.097 1.00 42.43 H new ATOM 0 HG3 LYS A 77 -16.633 -10.901 -11.226 1.00 42.43 H new ATOM 0 HD2 LYS A 77 -14.907 -9.068 -11.019 1.00 21.15 H new ATOM 0 HD3 LYS A 77 -13.838 -10.017 -12.032 1.00 21.15 H new ATOM 0 HE2 LYS A 77 -15.429 -9.922 -13.883 1.00 22.24 H new ATOM 0 HE3 LYS A 77 -16.606 -9.103 -12.875 1.00 22.24 H new ATOM 0 HZ1 LYS A 77 -15.492 -7.480 -14.151 1.00 54.33 H new ATOM 0 HZ2 LYS A 77 -14.921 -7.316 -12.560 1.00 54.33 H new ATOM 0 HZ3 LYS A 77 -13.959 -8.080 -13.733 1.00 54.33 H new ATOM 1205 N LEU A 78 -14.236 -10.571 -6.550 1.00 10.31 N ATOM 1206 CA LEU A 78 -13.702 -11.100 -5.321 1.00 1.25 C ATOM 1207 C LEU A 78 -14.802 -11.320 -4.305 1.00 22.31 C ATOM 1208 O LEU A 78 -15.538 -10.386 -3.960 1.00 63.35 O ATOM 1209 CB LEU A 78 -12.634 -10.167 -4.759 1.00 42.33 C ATOM 1210 CG LEU A 78 -11.453 -9.906 -5.682 1.00 31.44 C ATOM 1211 CD1 LEU A 78 -10.427 -9.007 -5.022 1.00 20.04 C ATOM 1212 CD2 LEU A 78 -10.825 -11.207 -6.129 1.00 40.42 C ATOM 0 H LEU A 78 -14.176 -9.556 -6.632 1.00 10.31 H new ATOM 0 HA LEU A 78 -13.242 -12.064 -5.537 1.00 1.25 H new ATOM 0 HB2 LEU A 78 -13.100 -9.213 -4.513 1.00 42.33 H new ATOM 0 HB3 LEU A 78 -12.260 -10.589 -3.826 1.00 42.33 H new ATOM 0 HG LEU A 78 -11.827 -9.387 -6.565 1.00 31.44 H new ATOM 0 HD11 LEU A 78 -9.596 -8.840 -5.707 1.00 20.04 H new ATOM 0 HD12 LEU A 78 -10.888 -8.052 -4.771 1.00 20.04 H new ATOM 0 HD13 LEU A 78 -10.058 -9.482 -4.113 1.00 20.04 H new ATOM 0 HD21 LEU A 78 -9.983 -10.997 -6.788 1.00 40.42 H new ATOM 0 HD22 LEU A 78 -10.475 -11.760 -5.258 1.00 40.42 H new ATOM 0 HD23 LEU A 78 -11.564 -11.803 -6.664 1.00 40.42 H new ATOM 1224 N PRO A 79 -14.960 -12.554 -3.819 1.00 5.53 N ATOM 1225 CA PRO A 79 -15.956 -12.867 -2.836 1.00 52.24 C ATOM 1226 C PRO A 79 -15.473 -12.557 -1.427 1.00 61.24 C ATOM 1227 O PRO A 79 -14.303 -12.790 -1.084 1.00 74.20 O ATOM 1228 CB PRO A 79 -16.190 -14.378 -2.997 1.00 44.22 C ATOM 1229 CG PRO A 79 -15.127 -14.878 -3.933 1.00 53.23 C ATOM 1230 CD PRO A 79 -14.179 -13.741 -4.192 1.00 11.14 C ATOM 0 HA PRO A 79 -16.861 -12.277 -2.979 1.00 52.24 H new ATOM 0 HB2 PRO A 79 -16.128 -14.885 -2.034 1.00 44.22 H new ATOM 0 HB3 PRO A 79 -17.184 -14.576 -3.398 1.00 44.22 H new ATOM 0 HG2 PRO A 79 -14.599 -15.725 -3.495 1.00 53.23 H new ATOM 0 HG3 PRO A 79 -15.571 -15.227 -4.866 1.00 53.23 H new ATOM 0 HD2 PRO A 79 -13.272 -13.830 -3.593 1.00 11.14 H new ATOM 0 HD3 PRO A 79 -13.869 -13.706 -5.236 1.00 11.14 H new ATOM 1238 N PHE A 80 -16.354 -12.027 -0.613 1.00 32.51 N ATOM 1239 CA PHE A 80 -16.017 -11.739 0.747 1.00 75.40 C ATOM 1240 C PHE A 80 -15.846 -12.987 1.579 1.00 52.51 C ATOM 1241 O PHE A 80 -16.568 -13.982 1.403 1.00 22.30 O ATOM 1242 CB PHE A 80 -16.930 -10.676 1.379 1.00 60.43 C ATOM 1243 CG PHE A 80 -18.385 -10.774 1.031 1.00 14.10 C ATOM 1244 CD1 PHE A 80 -19.203 -11.738 1.594 1.00 43.25 C ATOM 1245 CD2 PHE A 80 -18.932 -9.877 0.130 1.00 3.21 C ATOM 1246 CE1 PHE A 80 -20.544 -11.809 1.264 1.00 73.54 C ATOM 1247 CE2 PHE A 80 -20.271 -9.939 -0.205 1.00 23.34 C ATOM 1248 CZ PHE A 80 -21.079 -10.906 0.362 1.00 2.41 C ATOM 0 H PHE A 80 -17.310 -11.788 -0.876 1.00 32.51 H new ATOM 0 HA PHE A 80 -15.031 -11.276 0.731 1.00 75.40 H new ATOM 0 HB2 PHE A 80 -16.830 -10.737 2.463 1.00 60.43 H new ATOM 0 HB3 PHE A 80 -16.570 -9.691 1.080 1.00 60.43 H new ATOM 0 HD1 PHE A 80 -18.789 -12.443 2.299 1.00 43.25 H new ATOM 0 HD2 PHE A 80 -18.305 -9.120 -0.316 1.00 3.21 H new ATOM 0 HE1 PHE A 80 -21.172 -12.567 1.709 1.00 73.54 H new ATOM 0 HE2 PHE A 80 -20.686 -9.233 -0.909 1.00 23.34 H new ATOM 0 HZ PHE A 80 -22.126 -10.957 0.102 1.00 2.41 H new ATOM 1258 N GLY A 81 -14.870 -12.931 2.465 1.00 44.15 N ATOM 1259 CA GLY A 81 -14.479 -14.070 3.261 1.00 30.20 C ATOM 1260 C GLY A 81 -13.349 -14.853 2.603 1.00 74.33 C ATOM 1261 O GLY A 81 -12.854 -15.850 3.157 1.00 65.32 O ATOM 0 H GLY A 81 -14.326 -12.088 2.651 1.00 44.15 H new ATOM 0 HA2 GLY A 81 -14.162 -13.733 4.248 1.00 30.20 H new ATOM 0 HA3 GLY A 81 -15.338 -14.724 3.408 1.00 30.20 H new ATOM 1265 N LYS A 82 -12.929 -14.402 1.433 1.00 62.44 N ATOM 1266 CA LYS A 82 -11.856 -15.047 0.706 1.00 61.14 C ATOM 1267 C LYS A 82 -10.605 -14.191 0.740 1.00 10.00 C ATOM 1268 O LYS A 82 -10.675 -12.972 0.956 1.00 72.45 O ATOM 1269 CB LYS A 82 -12.259 -15.318 -0.748 1.00 73.00 C ATOM 1270 CG LYS A 82 -13.482 -16.214 -0.913 1.00 60.22 C ATOM 1271 CD LYS A 82 -13.285 -17.590 -0.302 1.00 21.44 C ATOM 1272 CE LYS A 82 -12.142 -18.350 -0.958 1.00 41.33 C ATOM 1273 NZ LYS A 82 -11.981 -19.701 -0.389 1.00 43.21 N ATOM 0 H LYS A 82 -13.321 -13.584 0.966 1.00 62.44 H new ATOM 0 HA LYS A 82 -11.651 -16.001 1.191 1.00 61.14 H new ATOM 0 HB2 LYS A 82 -12.454 -14.365 -1.240 1.00 73.00 H new ATOM 0 HB3 LYS A 82 -11.416 -15.777 -1.265 1.00 73.00 H new ATOM 0 HG2 LYS A 82 -14.344 -15.735 -0.449 1.00 60.22 H new ATOM 0 HG3 LYS A 82 -13.709 -16.321 -1.974 1.00 60.22 H new ATOM 0 HD2 LYS A 82 -13.086 -17.487 0.765 1.00 21.44 H new ATOM 0 HD3 LYS A 82 -14.206 -18.165 -0.401 1.00 21.44 H new ATOM 0 HE2 LYS A 82 -12.325 -18.427 -2.030 1.00 41.33 H new ATOM 0 HE3 LYS A 82 -11.215 -17.791 -0.833 1.00 41.33 H new ATOM 0 HZ1 LYS A 82 -11.192 -20.186 -0.863 1.00 43.21 H new ATOM 0 HZ2 LYS A 82 -11.781 -19.627 0.629 1.00 43.21 H new ATOM 0 HZ3 LYS A 82 -12.856 -20.244 -0.531 1.00 43.21 H new ATOM 1287 N THR A 83 -9.477 -14.825 0.527 1.00 54.31 N ATOM 1288 CA THR A 83 -8.196 -14.172 0.524 1.00 33.25 C ATOM 1289 C THR A 83 -7.703 -13.993 -0.908 1.00 33.33 C ATOM 1290 O THR A 83 -7.636 -14.958 -1.673 1.00 23.54 O ATOM 1291 CB THR A 83 -7.189 -15.007 1.336 1.00 53.02 C ATOM 1292 OG1 THR A 83 -7.695 -15.159 2.673 1.00 63.11 O ATOM 1293 CG2 THR A 83 -5.817 -14.340 1.383 1.00 73.22 C ATOM 0 H THR A 83 -9.426 -15.828 0.348 1.00 54.31 H new ATOM 0 HA THR A 83 -8.293 -13.188 0.982 1.00 33.25 H new ATOM 0 HB THR A 83 -7.070 -15.978 0.854 1.00 53.02 H new ATOM 0 HG1 THR A 83 -7.065 -15.691 3.203 1.00 63.11 H new ATOM 0 HG21 THR A 83 -5.132 -14.957 1.964 1.00 73.22 H new ATOM 0 HG22 THR A 83 -5.432 -14.227 0.369 1.00 73.22 H new ATOM 0 HG23 THR A 83 -5.905 -13.359 1.849 1.00 73.22 H new ATOM 1301 N THR A 84 -7.389 -12.770 -1.262 1.00 22.15 N ATOM 1302 CA THR A 84 -6.912 -12.458 -2.600 1.00 71.13 C ATOM 1303 C THR A 84 -5.670 -11.541 -2.529 1.00 41.22 C ATOM 1304 O THR A 84 -5.583 -10.678 -1.652 1.00 1.02 O ATOM 1305 CB THR A 84 -8.028 -11.765 -3.416 1.00 42.52 C ATOM 1306 OG1 THR A 84 -9.216 -12.593 -3.392 1.00 74.32 O ATOM 1307 CG2 THR A 84 -7.591 -11.556 -4.863 1.00 11.02 C ATOM 0 H THR A 84 -7.454 -11.964 -0.640 1.00 22.15 H new ATOM 0 HA THR A 84 -6.635 -13.389 -3.094 1.00 71.13 H new ATOM 0 HB THR A 84 -8.235 -10.792 -2.971 1.00 42.52 H new ATOM 0 HG1 THR A 84 -9.989 -12.048 -3.136 1.00 74.32 H new ATOM 0 HG21 THR A 84 -8.392 -11.067 -5.418 1.00 11.02 H new ATOM 0 HG22 THR A 84 -6.699 -10.931 -4.887 1.00 11.02 H new ATOM 0 HG23 THR A 84 -7.370 -12.521 -5.319 1.00 11.02 H new ATOM 1315 N VAL A 85 -4.713 -11.751 -3.424 1.00 11.05 N ATOM 1316 CA VAL A 85 -3.503 -10.942 -3.468 1.00 30.34 C ATOM 1317 C VAL A 85 -3.430 -10.141 -4.786 1.00 34.14 C ATOM 1318 O VAL A 85 -3.668 -10.677 -5.870 1.00 54.13 O ATOM 1319 CB VAL A 85 -2.217 -11.817 -3.266 1.00 52.14 C ATOM 1320 CG1 VAL A 85 -2.103 -12.907 -4.320 1.00 50.13 C ATOM 1321 CG2 VAL A 85 -0.960 -10.961 -3.249 1.00 5.43 C ATOM 0 H VAL A 85 -4.753 -12.482 -4.135 1.00 11.05 H new ATOM 0 HA VAL A 85 -3.546 -10.234 -2.641 1.00 30.34 H new ATOM 0 HB VAL A 85 -2.315 -12.301 -2.294 1.00 52.14 H new ATOM 0 HG11 VAL A 85 -1.199 -13.490 -4.144 1.00 50.13 H new ATOM 0 HG12 VAL A 85 -2.973 -13.561 -4.263 1.00 50.13 H new ATOM 0 HG13 VAL A 85 -2.055 -12.453 -5.310 1.00 50.13 H new ATOM 0 HG21 VAL A 85 -0.087 -11.599 -3.107 1.00 5.43 H new ATOM 0 HG22 VAL A 85 -0.870 -10.428 -4.195 1.00 5.43 H new ATOM 0 HG23 VAL A 85 -1.020 -10.242 -2.432 1.00 5.43 H new ATOM 1331 N MET A 86 -3.132 -8.859 -4.682 1.00 42.44 N ATOM 1332 CA MET A 86 -3.046 -7.988 -5.845 1.00 72.24 C ATOM 1333 C MET A 86 -1.840 -7.093 -5.772 1.00 40.31 C ATOM 1334 O MET A 86 -1.342 -6.786 -4.694 1.00 74.31 O ATOM 1335 CB MET A 86 -4.306 -7.144 -6.032 1.00 50.32 C ATOM 1336 CG MET A 86 -5.547 -7.949 -6.352 1.00 52.44 C ATOM 1337 SD MET A 86 -7.006 -6.930 -6.576 1.00 62.24 S ATOM 1338 CE MET A 86 -6.544 -5.934 -7.998 1.00 61.12 C ATOM 0 H MET A 86 -2.943 -8.392 -3.795 1.00 42.44 H new ATOM 0 HA MET A 86 -2.949 -8.643 -6.710 1.00 72.24 H new ATOM 0 HB2 MET A 86 -4.483 -6.569 -5.123 1.00 50.32 H new ATOM 0 HB3 MET A 86 -4.134 -6.427 -6.835 1.00 50.32 H new ATOM 0 HG2 MET A 86 -5.373 -8.529 -7.258 1.00 52.44 H new ATOM 0 HG3 MET A 86 -5.728 -8.662 -5.547 1.00 52.44 H new ATOM 0 HE1 MET A 86 -7.432 -5.455 -8.411 1.00 61.12 H new ATOM 0 HE2 MET A 86 -5.829 -5.170 -7.691 1.00 61.12 H new ATOM 0 HE3 MET A 86 -6.090 -6.571 -8.757 1.00 61.12 H new ATOM 1348 N HIS A 87 -1.366 -6.690 -6.918 1.00 50.25 N ATOM 1349 CA HIS A 87 -0.218 -5.816 -7.013 1.00 24.04 C ATOM 1350 C HIS A 87 -0.676 -4.425 -7.322 1.00 75.30 C ATOM 1351 O HIS A 87 -1.506 -4.226 -8.195 1.00 61.51 O ATOM 1352 CB HIS A 87 0.766 -6.302 -8.076 1.00 32.21 C ATOM 1353 CG HIS A 87 1.481 -7.581 -7.710 1.00 53.40 C ATOM 1354 ND1 HIS A 87 2.835 -7.643 -7.488 1.00 20.34 N ATOM 1355 CD2 HIS A 87 1.026 -8.850 -7.552 1.00 50.10 C ATOM 1356 CE1 HIS A 87 3.179 -8.888 -7.218 1.00 11.55 C ATOM 1357 NE2 HIS A 87 2.100 -9.638 -7.251 1.00 30.03 N ATOM 0 H HIS A 87 -1.763 -6.957 -7.819 1.00 50.25 H new ATOM 0 HA HIS A 87 0.304 -5.824 -6.056 1.00 24.04 H new ATOM 0 HB2 HIS A 87 0.229 -6.453 -9.012 1.00 32.21 H new ATOM 0 HB3 HIS A 87 1.506 -5.522 -8.255 1.00 32.21 H new ATOM 0 HD2 HIS A 87 0.001 -9.177 -7.647 1.00 50.10 H new ATOM 0 HE1 HIS A 87 4.180 -9.233 -7.005 1.00 11.55 H new ATOM 0 HE2 HIS A 87 2.070 -10.643 -7.080 1.00 30.03 H new ATOM 1366 N LEU A 88 -0.163 -3.477 -6.610 1.00 34.41 N ATOM 1367 CA LEU A 88 -0.578 -2.113 -6.775 1.00 74.44 C ATOM 1368 C LEU A 88 0.596 -1.291 -7.167 1.00 52.44 C ATOM 1369 O LEU A 88 1.717 -1.529 -6.689 1.00 5.02 O ATOM 1370 CB LEU A 88 -1.189 -1.542 -5.472 1.00 54.55 C ATOM 1371 CG LEU A 88 -2.482 -2.188 -4.927 1.00 4.33 C ATOM 1372 CD1 LEU A 88 -3.595 -2.143 -5.941 1.00 31.25 C ATOM 1373 CD2 LEU A 88 -2.250 -3.604 -4.441 1.00 45.34 C ATOM 0 H LEU A 88 0.554 -3.619 -5.898 1.00 34.41 H new ATOM 0 HA LEU A 88 -1.344 -2.081 -7.550 1.00 74.44 H new ATOM 0 HB2 LEU A 88 -0.430 -1.607 -4.692 1.00 54.55 H new ATOM 0 HB3 LEU A 88 -1.389 -0.483 -5.634 1.00 54.55 H new ATOM 0 HG LEU A 88 -2.789 -1.594 -4.066 1.00 4.33 H new ATOM 0 HD11 LEU A 88 -4.488 -2.607 -5.522 1.00 31.25 H new ATOM 0 HD12 LEU A 88 -3.811 -1.106 -6.198 1.00 31.25 H new ATOM 0 HD13 LEU A 88 -3.292 -2.684 -6.838 1.00 31.25 H new ATOM 0 HD21 LEU A 88 -3.186 -4.018 -4.067 1.00 45.34 H new ATOM 0 HD22 LEU A 88 -1.886 -4.217 -5.266 1.00 45.34 H new ATOM 0 HD23 LEU A 88 -1.510 -3.597 -3.640 1.00 45.34 H new ATOM 1385 N VAL A 89 0.382 -0.350 -8.028 1.00 35.30 N ATOM 1386 CA VAL A 89 1.433 0.506 -8.409 1.00 54.10 C ATOM 1387 C VAL A 89 1.141 1.931 -8.010 1.00 41.43 C ATOM 1388 O VAL A 89 0.025 2.427 -8.175 1.00 61.14 O ATOM 1389 CB VAL A 89 1.830 0.410 -9.924 1.00 73.43 C ATOM 1390 CG1 VAL A 89 2.326 -0.984 -10.270 1.00 24.14 C ATOM 1391 CG2 VAL A 89 0.680 0.779 -10.830 1.00 32.41 C ATOM 0 H VAL A 89 -0.515 -0.163 -8.475 1.00 35.30 H new ATOM 0 HA VAL A 89 2.308 0.155 -7.861 1.00 54.10 H new ATOM 0 HB VAL A 89 2.636 1.126 -10.085 1.00 73.43 H new ATOM 0 HG11 VAL A 89 2.594 -1.023 -11.326 1.00 24.14 H new ATOM 0 HG12 VAL A 89 3.201 -1.220 -9.664 1.00 24.14 H new ATOM 0 HG13 VAL A 89 1.539 -1.711 -10.069 1.00 24.14 H new ATOM 0 HG21 VAL A 89 0.996 0.700 -11.870 1.00 32.41 H new ATOM 0 HG22 VAL A 89 -0.155 0.102 -10.652 1.00 32.41 H new ATOM 0 HG23 VAL A 89 0.368 1.803 -10.623 1.00 32.41 H new ATOM 1401 N ALA A 90 2.137 2.538 -7.435 1.00 1.13 N ATOM 1402 CA ALA A 90 2.142 3.916 -7.048 1.00 53.05 C ATOM 1403 C ALA A 90 3.450 4.470 -7.520 1.00 13.24 C ATOM 1404 O ALA A 90 4.453 3.737 -7.544 1.00 13.15 O ATOM 1405 CB ALA A 90 1.976 4.087 -5.547 1.00 51.22 C ATOM 0 H ALA A 90 3.011 2.061 -7.213 1.00 1.13 H new ATOM 0 HA ALA A 90 1.300 4.447 -7.493 1.00 53.05 H new ATOM 0 HB1 ALA A 90 1.986 5.148 -5.298 1.00 51.22 H new ATOM 0 HB2 ALA A 90 1.028 3.649 -5.234 1.00 51.22 H new ATOM 0 HB3 ALA A 90 2.795 3.586 -5.031 1.00 51.22 H new