USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 83 LYS NZ :NH3+ -163:sc= 1.22 (180deg=-0.0518) USER MOD Set 1.2: A 106 ASN : amide:sc= 0.997 K(o=2.2,f=-5.5) USER MOD Set 2.1: A 43 ASN : amide:sc= 0.816 K(o=0.75,f=-2.8!) USER MOD Set 2.2: A 79 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 82 HIS : no HE2:sc= -0.0626 K(o=0.75,f=-11!) USER MOD Set 3.1: A 30 ASN : amide:sc= -0.837 K(o=-0.022,f=-3.6!) USER MOD Set 3.2: A 32 GLN : amide:sc= 0.816 K(o=-0.022,f=-1.5) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0423 (180deg=-0.432) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.364! (180deg=-1.25!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 100:sc= -1.06 USER MOD Single : A 13 SER OG : rot 180:sc= -0.157 USER MOD Single : A 14 GLN : amide:sc= 0.0514 X(o=0.051,f=-0.42) USER MOD Single : A 15 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -140:sc= -2.12! (180deg=-4.75!) USER MOD Single : A 25 THR OG1 : rot -131:sc= 0.91 USER MOD Single : A 27 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.6) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0667 (180deg=-0.354) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.582 K(o=-0.58,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -160:sc= -0.123 (180deg=-0.685) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 0.783 (180deg=0.393) USER MOD Single : A 58 ASN : amide:sc= -1.31 K(o=-1.3,f=-2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0.344 USER MOD Single : A 62 GLN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0209) USER MOD Single : A 67 MET CE :methyl -121:sc= 0 (180deg=-2.31!) USER MOD Single : A 70 LYS NZ :NH3+ -119:sc= 1.78 (180deg=1.11) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0999 (180deg=-0.457) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.127 USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.088 USER MOD Single : A 92 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.11) USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -0.0482 (180deg=-0.255) USER MOD Single : A 95 SER OG : rot -59:sc= 0.408 USER MOD Single : A 96 LYS NZ :NH3+ 179:sc= 0.829 (180deg=0.809) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.096) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.845 -19.362 0.906 1.00 0.52 N ATOM 2 CA MET A 1 11.832 -20.169 0.141 1.00 34.10 C ATOM 3 C MET A 1 12.063 -19.573 -1.257 1.00 44.43 C ATOM 4 O MET A 1 11.378 -19.917 -2.222 1.00 1.15 O ATOM 5 CB MET A 1 11.372 -21.635 0.048 1.00 2.13 C ATOM 6 CG MET A 1 9.948 -21.808 -0.471 1.00 21.12 C ATOM 7 SD MET A 1 8.726 -20.993 0.578 1.00 55.23 S ATOM 8 CE MET A 1 8.855 -21.959 2.084 1.00 22.02 C ATOM 0 H1 MET A 1 11.134 -19.314 1.904 1.00 0.52 H new ATOM 0 H2 MET A 1 10.802 -18.401 0.512 1.00 0.52 H new ATOM 0 H3 MET A 1 9.907 -19.806 0.838 1.00 0.52 H new ATOM 0 HA MET A 1 12.783 -20.143 0.674 1.00 34.10 H new ATOM 0 HB2 MET A 1 12.054 -22.178 -0.606 1.00 2.13 H new ATOM 0 HB3 MET A 1 11.446 -22.091 1.035 1.00 2.13 H new ATOM 0 HG2 MET A 1 9.882 -21.405 -1.481 1.00 21.12 H new ATOM 0 HG3 MET A 1 9.715 -22.871 -0.536 1.00 21.12 H new ATOM 0 HE1 MET A 1 7.994 -21.757 2.721 1.00 22.02 H new ATOM 0 HE2 MET A 1 8.881 -23.020 1.835 1.00 22.02 H new ATOM 0 HE3 MET A 1 9.769 -21.688 2.613 1.00 22.02 H new ATOM 20 N LYS A 2 13.029 -18.660 -1.354 1.00 25.34 N ATOM 21 CA LYS A 2 13.299 -17.958 -2.609 1.00 61.51 C ATOM 22 C LYS A 2 14.694 -17.315 -2.604 1.00 61.33 C ATOM 23 O LYS A 2 15.056 -16.605 -1.665 1.00 61.12 O ATOM 24 CB LYS A 2 12.230 -16.878 -2.843 1.00 31.13 C ATOM 25 CG LYS A 2 12.429 -16.066 -4.120 1.00 34.10 C ATOM 26 CD LYS A 2 12.431 -16.949 -5.364 1.00 42.23 C ATOM 27 CE LYS A 2 12.608 -16.131 -6.637 1.00 35.03 C ATOM 28 NZ LYS A 2 12.711 -17.004 -7.833 1.00 45.02 N ATOM 0 H LYS A 2 13.637 -18.389 -0.581 1.00 25.34 H new ATOM 0 HA LYS A 2 13.267 -18.689 -3.417 1.00 61.51 H new ATOM 0 HB2 LYS A 2 11.250 -17.354 -2.878 1.00 31.13 H new ATOM 0 HB3 LYS A 2 12.224 -16.198 -1.991 1.00 31.13 H new ATOM 0 HG2 LYS A 2 11.636 -15.323 -4.204 1.00 34.10 H new ATOM 0 HG3 LYS A 2 13.371 -15.522 -4.060 1.00 34.10 H new ATOM 0 HD2 LYS A 2 13.234 -17.682 -5.288 1.00 42.23 H new ATOM 0 HD3 LYS A 2 11.495 -17.505 -5.416 1.00 42.23 H new ATOM 0 HE2 LYS A 2 11.765 -15.450 -6.754 1.00 35.03 H new ATOM 0 HE3 LYS A 2 13.505 -15.517 -6.555 1.00 35.03 H new ATOM 0 HZ1 LYS A 2 12.831 -16.416 -8.683 1.00 45.02 H new ATOM 0 HZ2 LYS A 2 13.530 -17.637 -7.731 1.00 45.02 H new ATOM 0 HZ3 LYS A 2 11.844 -17.572 -7.924 1.00 45.02 H new ATOM 42 N ASN A 3 15.470 -17.569 -3.657 1.00 14.21 N ATOM 43 CA ASN A 3 16.773 -16.915 -3.821 1.00 31.42 C ATOM 44 C ASN A 3 16.582 -15.448 -4.231 1.00 75.04 C ATOM 45 O ASN A 3 16.671 -15.099 -5.412 1.00 24.35 O ATOM 46 CB ASN A 3 17.622 -17.655 -4.863 1.00 30.15 C ATOM 47 CG ASN A 3 17.900 -19.089 -4.464 1.00 43.35 C ATOM 48 OD1 ASN A 3 17.110 -19.986 -4.738 1.00 53.45 O ATOM 49 ND2 ASN A 3 19.024 -19.321 -3.818 1.00 32.52 N ATOM 0 H ASN A 3 15.224 -18.217 -4.405 1.00 14.21 H new ATOM 0 HA ASN A 3 17.298 -16.947 -2.866 1.00 31.42 H new ATOM 0 HB2 ASN A 3 17.108 -17.641 -5.824 1.00 30.15 H new ATOM 0 HB3 ASN A 3 18.567 -17.128 -4.999 1.00 30.15 H new ATOM 0 HD21 ASN A 3 19.260 -20.271 -3.530 1.00 32.52 H new ATOM 0 HD22 ASN A 3 19.659 -18.551 -3.606 1.00 32.52 H new ATOM 56 N THR A 4 16.282 -14.603 -3.250 1.00 53.42 N ATOM 57 CA THR A 4 16.018 -13.179 -3.498 1.00 30.32 C ATOM 58 C THR A 4 17.322 -12.384 -3.667 1.00 55.22 C ATOM 59 O THR A 4 18.321 -12.653 -2.995 1.00 2.33 O ATOM 60 CB THR A 4 15.165 -12.556 -2.366 1.00 15.00 C ATOM 61 OG1 THR A 4 14.873 -11.183 -2.661 1.00 21.20 O ATOM 62 CG2 THR A 4 15.873 -12.651 -1.018 1.00 31.52 C ATOM 0 H THR A 4 16.214 -14.876 -2.269 1.00 53.42 H new ATOM 0 HA THR A 4 15.455 -13.121 -4.430 1.00 30.32 H new ATOM 0 HB THR A 4 14.235 -13.121 -2.305 1.00 15.00 H new ATOM 0 HG1 THR A 4 13.966 -11.112 -3.025 1.00 21.20 H new ATOM 0 HG21 THR A 4 15.247 -12.204 -0.246 1.00 31.52 H new ATOM 0 HG22 THR A 4 16.056 -13.698 -0.776 1.00 31.52 H new ATOM 0 HG23 THR A 4 16.823 -12.119 -1.068 1.00 31.52 H new ATOM 70 N GLY A 5 17.304 -11.404 -4.567 1.00 1.35 N ATOM 71 CA GLY A 5 18.509 -10.643 -4.883 1.00 13.31 C ATOM 72 C GLY A 5 18.640 -9.349 -4.090 1.00 33.41 C ATOM 73 O GLY A 5 19.610 -9.157 -3.354 1.00 25.02 O ATOM 0 H GLY A 5 16.474 -11.120 -5.087 1.00 1.35 H new ATOM 0 HA2 GLY A 5 19.383 -11.266 -4.692 1.00 13.31 H new ATOM 0 HA3 GLY A 5 18.512 -10.409 -5.947 1.00 13.31 H new ATOM 77 N ASP A 6 17.669 -8.456 -4.240 1.00 5.02 N ATOM 78 CA ASP A 6 17.712 -7.139 -3.594 1.00 13.11 C ATOM 79 C ASP A 6 16.662 -7.008 -2.476 1.00 1.13 C ATOM 80 O ASP A 6 15.517 -7.443 -2.621 1.00 51.25 O ATOM 81 CB ASP A 6 17.542 -6.031 -4.647 1.00 50.43 C ATOM 82 CG ASP A 6 16.294 -6.188 -5.510 1.00 64.34 C ATOM 83 OD1 ASP A 6 15.989 -7.326 -5.940 1.00 15.42 O ATOM 84 OD2 ASP A 6 15.640 -5.168 -5.803 1.00 12.44 O ATOM 0 H ASP A 6 16.836 -8.616 -4.806 1.00 5.02 H new ATOM 0 HA ASP A 6 18.688 -7.030 -3.121 1.00 13.11 H new ATOM 0 HB2 ASP A 6 17.504 -5.066 -4.142 1.00 50.43 H new ATOM 0 HB3 ASP A 6 18.420 -6.019 -5.293 1.00 50.43 H new ATOM 89 N GLU A 7 17.072 -6.412 -1.354 1.00 24.44 N ATOM 90 CA GLU A 7 16.195 -6.246 -0.185 1.00 42.25 C ATOM 91 C GLU A 7 15.478 -4.884 -0.191 1.00 24.54 C ATOM 92 O GLU A 7 16.113 -3.834 -0.089 1.00 11.20 O ATOM 93 CB GLU A 7 17.012 -6.418 1.106 1.00 10.31 C ATOM 94 CG GLU A 7 17.551 -7.833 1.299 1.00 60.12 C ATOM 95 CD GLU A 7 18.476 -7.974 2.501 1.00 74.50 C ATOM 96 OE1 GLU A 7 18.029 -7.710 3.639 1.00 1.10 O ATOM 97 OE2 GLU A 7 19.645 -8.377 2.320 1.00 1.14 O ATOM 0 H GLU A 7 18.011 -6.033 -1.227 1.00 24.44 H new ATOM 0 HA GLU A 7 15.424 -7.015 -0.233 1.00 42.25 H new ATOM 0 HB2 GLU A 7 17.847 -5.718 1.095 1.00 10.31 H new ATOM 0 HB3 GLU A 7 16.388 -6.156 1.960 1.00 10.31 H new ATOM 0 HG2 GLU A 7 16.712 -8.520 1.414 1.00 60.12 H new ATOM 0 HG3 GLU A 7 18.089 -8.134 0.400 1.00 60.12 H new ATOM 104 N VAL A 8 14.148 -4.917 -0.301 1.00 73.04 N ATOM 105 CA VAL A 8 13.329 -3.696 -0.356 1.00 51.40 C ATOM 106 C VAL A 8 12.214 -3.703 0.706 1.00 42.44 C ATOM 107 O VAL A 8 11.840 -4.760 1.234 1.00 51.30 O ATOM 108 CB VAL A 8 12.687 -3.514 -1.757 1.00 70.22 C ATOM 109 CG1 VAL A 8 13.765 -3.377 -2.832 1.00 73.53 C ATOM 110 CG2 VAL A 8 11.739 -4.671 -2.076 1.00 44.23 C ATOM 0 H VAL A 8 13.609 -5.781 -0.354 1.00 73.04 H new ATOM 0 HA VAL A 8 14.003 -2.864 -0.152 1.00 51.40 H new ATOM 0 HB VAL A 8 12.102 -2.595 -1.746 1.00 70.22 H new ATOM 0 HG11 VAL A 8 13.293 -3.250 -3.806 1.00 73.53 H new ATOM 0 HG12 VAL A 8 14.387 -2.509 -2.615 1.00 73.53 H new ATOM 0 HG13 VAL A 8 14.384 -4.274 -2.843 1.00 73.53 H new ATOM 0 HG21 VAL A 8 11.301 -4.521 -3.063 1.00 44.23 H new ATOM 0 HG22 VAL A 8 12.293 -5.609 -2.064 1.00 44.23 H new ATOM 0 HG23 VAL A 8 10.946 -4.708 -1.329 1.00 44.23 H new ATOM 120 N VAL A 9 11.686 -2.519 1.020 1.00 10.31 N ATOM 121 CA VAL A 9 10.583 -2.373 1.981 1.00 1.12 C ATOM 122 C VAL A 9 9.509 -1.408 1.446 1.00 53.42 C ATOM 123 O VAL A 9 9.825 -0.397 0.817 1.00 5.01 O ATOM 124 CB VAL A 9 11.085 -1.865 3.362 1.00 44.45 C ATOM 125 CG1 VAL A 9 12.049 -2.866 3.998 1.00 14.13 C ATOM 126 CG2 VAL A 9 11.740 -0.488 3.237 1.00 51.51 C ATOM 0 H VAL A 9 12.006 -1.637 0.620 1.00 10.31 H new ATOM 0 HA VAL A 9 10.147 -3.364 2.112 1.00 1.12 H new ATOM 0 HB VAL A 9 10.217 -1.769 4.015 1.00 44.45 H new ATOM 0 HG11 VAL A 9 12.384 -2.485 4.963 1.00 14.13 H new ATOM 0 HG12 VAL A 9 11.541 -3.820 4.141 1.00 14.13 H new ATOM 0 HG13 VAL A 9 12.910 -3.008 3.345 1.00 14.13 H new ATOM 0 HG21 VAL A 9 12.082 -0.157 4.218 1.00 51.51 H new ATOM 0 HG22 VAL A 9 12.591 -0.550 2.558 1.00 51.51 H new ATOM 0 HG23 VAL A 9 11.015 0.226 2.846 1.00 51.51 H new ATOM 136 N ALA A 10 8.242 -1.729 1.697 1.00 2.53 N ATOM 137 CA ALA A 10 7.121 -0.894 1.240 1.00 1.31 C ATOM 138 C ALA A 10 6.617 0.035 2.356 1.00 50.11 C ATOM 139 O ALA A 10 6.095 -0.424 3.374 1.00 23.13 O ATOM 140 CB ALA A 10 5.983 -1.777 0.734 1.00 32.23 C ATOM 0 H ALA A 10 7.960 -2.561 2.215 1.00 2.53 H new ATOM 0 HA ALA A 10 7.481 -0.267 0.424 1.00 1.31 H new ATOM 0 HB1 ALA A 10 5.158 -1.150 0.398 1.00 32.23 H new ATOM 0 HB2 ALA A 10 6.337 -2.387 -0.097 1.00 32.23 H new ATOM 0 HB3 ALA A 10 5.640 -2.426 1.540 1.00 32.23 H new ATOM 146 N ILE A 11 6.779 1.344 2.159 1.00 44.22 N ATOM 147 CA ILE A 11 6.322 2.345 3.133 1.00 0.31 C ATOM 148 C ILE A 11 4.969 2.953 2.714 1.00 25.33 C ATOM 149 O ILE A 11 4.873 3.640 1.694 1.00 51.42 O ATOM 150 CB ILE A 11 7.361 3.490 3.290 1.00 64.11 C ATOM 151 CG1 ILE A 11 8.769 2.922 3.557 1.00 12.43 C ATOM 152 CG2 ILE A 11 6.939 4.441 4.411 1.00 13.24 C ATOM 153 CD1 ILE A 11 8.878 2.106 4.829 1.00 40.20 C ATOM 0 H ILE A 11 7.225 1.740 1.331 1.00 44.22 H new ATOM 0 HA ILE A 11 6.206 1.830 4.087 1.00 0.31 H new ATOM 0 HB ILE A 11 7.397 4.051 2.356 1.00 64.11 H new ATOM 0 HG12 ILE A 11 9.063 2.299 2.712 1.00 12.43 H new ATOM 0 HG13 ILE A 11 9.479 3.748 3.606 1.00 12.43 H new ATOM 0 HG21 ILE A 11 7.676 5.238 4.509 1.00 13.24 H new ATOM 0 HG22 ILE A 11 5.967 4.873 4.175 1.00 13.24 H new ATOM 0 HG23 ILE A 11 6.873 3.891 5.349 1.00 13.24 H new ATOM 0 HD11 ILE A 11 9.900 1.743 4.942 1.00 40.20 H new ATOM 0 HD12 ILE A 11 8.617 2.729 5.684 1.00 40.20 H new ATOM 0 HD13 ILE A 11 8.196 1.258 4.777 1.00 40.20 H new ATOM 165 N ILE A 12 3.928 2.688 3.502 1.00 22.01 N ATOM 166 CA ILE A 12 2.582 3.207 3.227 1.00 11.01 C ATOM 167 C ILE A 12 2.269 4.434 4.104 1.00 54.43 C ATOM 168 O ILE A 12 2.231 4.345 5.337 1.00 34.14 O ATOM 169 CB ILE A 12 1.483 2.125 3.458 1.00 5.25 C ATOM 170 CG1 ILE A 12 1.682 0.907 2.527 1.00 73.24 C ATOM 171 CG2 ILE A 12 0.089 2.723 3.261 1.00 74.01 C ATOM 172 CD1 ILE A 12 2.852 0.013 2.895 1.00 52.54 C ATOM 0 H ILE A 12 3.989 2.113 4.342 1.00 22.01 H new ATOM 0 HA ILE A 12 2.572 3.498 2.177 1.00 11.01 H new ATOM 0 HB ILE A 12 1.574 1.777 4.487 1.00 5.25 H new ATOM 0 HG12 ILE A 12 0.770 0.310 2.532 1.00 73.24 H new ATOM 0 HG13 ILE A 12 1.823 1.265 1.507 1.00 73.24 H new ATOM 0 HG21 ILE A 12 -0.664 1.953 3.426 1.00 74.01 H new ATOM 0 HG22 ILE A 12 -0.062 3.536 3.971 1.00 74.01 H new ATOM 0 HG23 ILE A 12 -0.002 3.107 2.245 1.00 74.01 H new ATOM 0 HD11 ILE A 12 2.914 -0.814 2.188 1.00 52.54 H new ATOM 0 HD12 ILE A 12 3.776 0.590 2.860 1.00 52.54 H new ATOM 0 HD13 ILE A 12 2.707 -0.380 3.901 1.00 52.54 H new ATOM 184 N SER A 13 2.037 5.578 3.463 1.00 1.31 N ATOM 185 CA SER A 13 1.741 6.830 4.178 1.00 14.24 C ATOM 186 C SER A 13 0.380 7.410 3.765 1.00 52.45 C ATOM 187 O SER A 13 -0.047 7.264 2.623 1.00 10.31 O ATOM 188 CB SER A 13 2.836 7.876 3.908 1.00 21.20 C ATOM 189 OG SER A 13 4.111 7.418 4.330 1.00 71.52 O ATOM 0 H SER A 13 2.047 5.670 2.447 1.00 1.31 H new ATOM 0 HA SER A 13 1.710 6.593 5.242 1.00 14.24 H new ATOM 0 HB2 SER A 13 2.866 8.106 2.843 1.00 21.20 H new ATOM 0 HB3 SER A 13 2.591 8.802 4.428 1.00 21.20 H new ATOM 0 HG SER A 13 4.784 8.105 4.143 1.00 71.52 H new ATOM 195 N GLN A 14 -0.297 8.075 4.698 1.00 20.31 N ATOM 196 CA GLN A 14 -1.561 8.760 4.398 1.00 52.01 C ATOM 197 C GLN A 14 -1.624 10.124 5.102 1.00 4.44 C ATOM 198 O GLN A 14 -1.140 10.274 6.226 1.00 75.51 O ATOM 199 CB GLN A 14 -2.757 7.895 4.815 1.00 53.54 C ATOM 200 CG GLN A 14 -4.105 8.477 4.400 1.00 2.44 C ATOM 201 CD GLN A 14 -5.278 7.612 4.812 1.00 32.15 C ATOM 202 OE1 GLN A 14 -5.242 6.924 5.826 1.00 42.21 O ATOM 203 NE2 GLN A 14 -6.329 7.632 4.021 1.00 31.13 N ATOM 0 H GLN A 14 0.005 8.157 5.669 1.00 20.31 H new ATOM 0 HA GLN A 14 -1.607 8.924 3.321 1.00 52.01 H new ATOM 0 HB2 GLN A 14 -2.648 6.903 4.376 1.00 53.54 H new ATOM 0 HB3 GLN A 14 -2.743 7.768 5.897 1.00 53.54 H new ATOM 0 HG2 GLN A 14 -4.218 9.467 4.842 1.00 2.44 H new ATOM 0 HG3 GLN A 14 -4.120 8.608 3.318 1.00 2.44 H new ATOM 0 HE21 GLN A 14 -6.327 8.216 3.185 1.00 31.13 H new ATOM 0 HE22 GLN A 14 -7.146 7.064 4.244 1.00 31.13 H new ATOM 212 N ASN A 15 -2.210 11.117 4.423 1.00 5.02 N ATOM 213 CA ASN A 15 -2.292 12.499 4.936 1.00 13.14 C ATOM 214 C ASN A 15 -0.901 13.092 5.244 1.00 3.33 C ATOM 215 O ASN A 15 -0.787 14.094 5.952 1.00 43.22 O ATOM 216 CB ASN A 15 -3.189 12.580 6.182 1.00 53.34 C ATOM 217 CG ASN A 15 -4.660 12.379 5.860 1.00 74.51 C ATOM 218 OD1 ASN A 15 -5.359 13.318 5.495 1.00 62.41 O ATOM 219 ND2 ASN A 15 -5.146 11.166 6.016 1.00 35.11 N ATOM 0 H ASN A 15 -2.640 10.991 3.507 1.00 5.02 H new ATOM 0 HA ASN A 15 -2.740 13.097 4.142 1.00 13.14 H new ATOM 0 HB2 ASN A 15 -2.873 11.825 6.902 1.00 53.34 H new ATOM 0 HB3 ASN A 15 -3.055 13.551 6.658 1.00 53.34 H new ATOM 0 HD21 ASN A 15 -6.133 10.984 5.832 1.00 35.11 H new ATOM 0 HD22 ASN A 15 -4.536 10.408 6.321 1.00 35.11 H new ATOM 226 N GLY A 16 0.149 12.480 4.692 1.00 0.11 N ATOM 227 CA GLY A 16 1.508 12.981 4.884 1.00 13.45 C ATOM 228 C GLY A 16 2.240 12.346 6.066 1.00 12.23 C ATOM 229 O GLY A 16 3.225 12.900 6.555 1.00 43.53 O ATOM 0 H GLY A 16 0.084 11.643 4.113 1.00 0.11 H new ATOM 0 HA2 GLY A 16 2.082 12.803 3.975 1.00 13.45 H new ATOM 0 HA3 GLY A 16 1.470 14.060 5.030 1.00 13.45 H new ATOM 233 N LYS A 17 1.768 11.190 6.532 1.00 71.32 N ATOM 234 CA LYS A 17 2.431 10.467 7.631 1.00 41.14 C ATOM 235 C LYS A 17 2.353 8.942 7.435 1.00 50.40 C ATOM 236 O LYS A 17 1.362 8.423 6.923 1.00 25.33 O ATOM 237 CB LYS A 17 1.812 10.873 8.980 1.00 0.10 C ATOM 238 CG LYS A 17 0.295 10.712 9.046 1.00 75.22 C ATOM 239 CD LYS A 17 -0.292 11.200 10.374 1.00 72.44 C ATOM 240 CE LYS A 17 -0.191 12.722 10.548 1.00 55.35 C ATOM 241 NZ LYS A 17 1.199 13.187 10.817 1.00 10.50 N ATOM 0 H LYS A 17 0.932 10.731 6.171 1.00 71.32 H new ATOM 0 HA LYS A 17 3.486 10.743 7.627 1.00 41.14 H new ATOM 0 HB2 LYS A 17 2.265 10.273 9.770 1.00 0.10 H new ATOM 0 HB3 LYS A 17 2.065 11.913 9.185 1.00 0.10 H new ATOM 0 HG2 LYS A 17 -0.161 11.266 8.226 1.00 75.22 H new ATOM 0 HG3 LYS A 17 0.038 9.662 8.903 1.00 75.22 H new ATOM 0 HD2 LYS A 17 -1.338 10.901 10.435 1.00 72.44 H new ATOM 0 HD3 LYS A 17 0.228 10.710 11.197 1.00 72.44 H new ATOM 0 HE2 LYS A 17 -0.564 13.210 9.648 1.00 55.35 H new ATOM 0 HE3 LYS A 17 -0.837 13.032 11.369 1.00 55.35 H new ATOM 0 HZ1 LYS A 17 1.180 13.940 11.534 1.00 10.50 H new ATOM 0 HZ2 LYS A 17 1.770 12.391 11.166 1.00 10.50 H new ATOM 0 HZ3 LYS A 17 1.618 13.555 9.939 1.00 10.50 H new ATOM 255 N VAL A 18 3.407 8.233 7.846 1.00 72.41 N ATOM 256 CA VAL A 18 3.487 6.775 7.669 1.00 25.31 C ATOM 257 C VAL A 18 2.494 6.040 8.582 1.00 11.53 C ATOM 258 O VAL A 18 2.554 6.161 9.809 1.00 22.01 O ATOM 259 CB VAL A 18 4.919 6.250 7.956 1.00 70.35 C ATOM 260 CG1 VAL A 18 5.012 4.746 7.693 1.00 54.33 C ATOM 261 CG2 VAL A 18 5.955 7.012 7.130 1.00 41.51 C ATOM 0 H VAL A 18 4.220 8.643 8.305 1.00 72.41 H new ATOM 0 HA VAL A 18 3.230 6.573 6.629 1.00 25.31 H new ATOM 0 HB VAL A 18 5.135 6.422 9.010 1.00 70.35 H new ATOM 0 HG11 VAL A 18 6.025 4.402 7.901 1.00 54.33 H new ATOM 0 HG12 VAL A 18 4.310 4.219 8.340 1.00 54.33 H new ATOM 0 HG13 VAL A 18 4.767 4.543 6.650 1.00 54.33 H new ATOM 0 HG21 VAL A 18 6.950 6.626 7.349 1.00 41.51 H new ATOM 0 HG22 VAL A 18 5.741 6.883 6.069 1.00 41.51 H new ATOM 0 HG23 VAL A 18 5.914 8.072 7.382 1.00 41.51 H new ATOM 271 N ILE A 19 1.590 5.267 7.979 1.00 11.12 N ATOM 272 CA ILE A 19 0.552 4.547 8.736 1.00 31.34 C ATOM 273 C ILE A 19 0.813 3.030 8.784 1.00 2.13 C ATOM 274 O ILE A 19 0.217 2.312 9.587 1.00 54.00 O ATOM 275 CB ILE A 19 -0.851 4.795 8.127 1.00 73.55 C ATOM 276 CG1 ILE A 19 -0.915 4.265 6.684 1.00 5.23 C ATOM 277 CG2 ILE A 19 -1.194 6.285 8.174 1.00 30.35 C ATOM 278 CD1 ILE A 19 -2.275 4.414 6.035 1.00 41.12 C ATOM 0 H ILE A 19 1.551 5.120 6.970 1.00 11.12 H new ATOM 0 HA ILE A 19 0.588 4.937 9.753 1.00 31.34 H new ATOM 0 HB ILE A 19 -1.588 4.254 8.720 1.00 73.55 H new ATOM 0 HG12 ILE A 19 -0.176 4.792 6.081 1.00 5.23 H new ATOM 0 HG13 ILE A 19 -0.636 3.211 6.682 1.00 5.23 H new ATOM 0 HG21 ILE A 19 -2.182 6.445 7.743 1.00 30.35 H new ATOM 0 HG22 ILE A 19 -1.190 6.627 9.209 1.00 30.35 H new ATOM 0 HG23 ILE A 19 -0.454 6.847 7.604 1.00 30.35 H new ATOM 0 HD11 ILE A 19 -2.239 4.018 5.020 1.00 41.12 H new ATOM 0 HD12 ILE A 19 -3.017 3.863 6.614 1.00 41.12 H new ATOM 0 HD13 ILE A 19 -2.549 5.468 6.003 1.00 41.12 H new ATOM 290 N ARG A 20 1.699 2.548 7.915 1.00 63.41 N ATOM 291 CA ARG A 20 1.999 1.113 7.810 1.00 50.14 C ATOM 292 C ARG A 20 3.223 0.875 6.907 1.00 22.33 C ATOM 293 O ARG A 20 3.403 1.570 5.914 1.00 3.23 O ATOM 294 CB ARG A 20 0.768 0.365 7.262 1.00 51.13 C ATOM 295 CG ARG A 20 1.007 -1.108 6.925 1.00 64.21 C ATOM 296 CD ARG A 20 1.410 -1.933 8.141 1.00 14.31 C ATOM 297 NE ARG A 20 0.334 -2.054 9.123 1.00 24.11 N ATOM 298 CZ ARG A 20 0.472 -2.621 10.289 1.00 35.25 C ATOM 299 NH1 ARG A 20 1.621 -3.076 10.670 1.00 43.31 N ATOM 300 NH2 ARG A 20 -0.543 -2.724 11.080 1.00 5.04 N ATOM 0 H ARG A 20 2.228 3.132 7.267 1.00 63.41 H new ATOM 0 HA ARG A 20 2.236 0.730 8.802 1.00 50.14 H new ATOM 0 HB2 ARG A 20 -0.035 0.429 7.997 1.00 51.13 H new ATOM 0 HB3 ARG A 20 0.420 0.876 6.364 1.00 51.13 H new ATOM 0 HG2 ARG A 20 0.100 -1.529 6.490 1.00 64.21 H new ATOM 0 HG3 ARG A 20 1.787 -1.181 6.167 1.00 64.21 H new ATOM 0 HD2 ARG A 20 1.713 -2.928 7.815 1.00 14.31 H new ATOM 0 HD3 ARG A 20 2.278 -1.475 8.614 1.00 14.31 H new ATOM 0 HE ARG A 20 -0.580 -1.672 8.881 1.00 24.11 H new ATOM 0 HH11 ARG A 20 2.431 -2.993 10.056 1.00 43.31 H new ATOM 0 HH12 ARG A 20 1.717 -3.518 11.584 1.00 43.31 H new ATOM 0 HH21 ARG A 20 -1.452 -2.362 10.793 1.00 5.04 H new ATOM 0 HH22 ARG A 20 -0.436 -3.167 11.992 1.00 5.04 H new ATOM 314 N GLU A 21 4.067 -0.098 7.257 1.00 52.11 N ATOM 315 CA GLU A 21 5.260 -0.404 6.451 1.00 32.31 C ATOM 316 C GLU A 21 5.623 -1.904 6.506 1.00 3.22 C ATOM 317 O GLU A 21 5.843 -2.468 7.580 1.00 71.51 O ATOM 318 CB GLU A 21 6.446 0.463 6.916 1.00 71.31 C ATOM 319 CG GLU A 21 6.737 0.370 8.411 1.00 24.32 C ATOM 320 CD GLU A 21 7.880 1.274 8.857 1.00 3.40 C ATOM 321 OE1 GLU A 21 9.043 0.982 8.515 1.00 1.22 O ATOM 322 OE2 GLU A 21 7.618 2.270 9.566 1.00 42.33 O ATOM 0 H GLU A 21 3.952 -0.684 8.084 1.00 52.11 H new ATOM 0 HA GLU A 21 5.032 -0.168 5.412 1.00 32.31 H new ATOM 0 HB2 GLU A 21 7.338 0.166 6.364 1.00 71.31 H new ATOM 0 HB3 GLU A 21 6.244 1.503 6.660 1.00 71.31 H new ATOM 0 HG2 GLU A 21 5.837 0.632 8.967 1.00 24.32 H new ATOM 0 HG3 GLU A 21 6.979 -0.662 8.664 1.00 24.32 H new ATOM 329 N ILE A 22 5.686 -2.545 5.333 1.00 43.21 N ATOM 330 CA ILE A 22 5.955 -3.991 5.242 1.00 51.24 C ATOM 331 C ILE A 22 7.266 -4.278 4.483 1.00 13.14 C ATOM 332 O ILE A 22 7.418 -3.885 3.323 1.00 2.44 O ATOM 333 CB ILE A 22 4.807 -4.762 4.518 1.00 12.33 C ATOM 334 CG1 ILE A 22 3.447 -4.534 5.207 1.00 5.53 C ATOM 335 CG2 ILE A 22 5.121 -6.258 4.444 1.00 24.51 C ATOM 336 CD1 ILE A 22 2.795 -3.217 4.852 1.00 5.34 C ATOM 0 H ILE A 22 5.555 -2.087 4.431 1.00 43.21 H new ATOM 0 HA ILE A 22 6.033 -4.338 6.272 1.00 51.24 H new ATOM 0 HB ILE A 22 4.738 -4.367 3.504 1.00 12.33 H new ATOM 0 HG12 ILE A 22 2.773 -5.347 4.937 1.00 5.53 H new ATOM 0 HG13 ILE A 22 3.585 -4.580 6.287 1.00 5.53 H new ATOM 0 HG21 ILE A 22 4.308 -6.776 3.936 1.00 24.51 H new ATOM 0 HG22 ILE A 22 6.048 -6.408 3.891 1.00 24.51 H new ATOM 0 HG23 ILE A 22 5.231 -6.657 5.452 1.00 24.51 H new ATOM 0 HD11 ILE A 22 1.843 -3.130 5.375 1.00 5.34 H new ATOM 0 HD12 ILE A 22 3.448 -2.396 5.148 1.00 5.34 H new ATOM 0 HD13 ILE A 22 2.623 -3.174 3.776 1.00 5.34 H new ATOM 348 N PRO A 23 8.235 -4.966 5.120 1.00 22.12 N ATOM 349 CA PRO A 23 9.434 -5.456 4.424 1.00 14.53 C ATOM 350 C PRO A 23 9.083 -6.545 3.395 1.00 12.24 C ATOM 351 O PRO A 23 8.806 -7.690 3.754 1.00 53.25 O ATOM 352 CB PRO A 23 10.313 -6.028 5.556 1.00 63.32 C ATOM 353 CG PRO A 23 9.729 -5.483 6.821 1.00 50.25 C ATOM 354 CD PRO A 23 8.260 -5.303 6.551 1.00 52.35 C ATOM 0 HA PRO A 23 9.933 -4.671 3.857 1.00 14.53 H new ATOM 0 HB2 PRO A 23 10.298 -7.118 5.553 1.00 63.32 H new ATOM 0 HB3 PRO A 23 11.353 -5.723 5.439 1.00 63.32 H new ATOM 0 HG2 PRO A 23 9.892 -6.167 7.654 1.00 50.25 H new ATOM 0 HG3 PRO A 23 10.196 -4.536 7.091 1.00 50.25 H new ATOM 0 HD2 PRO A 23 7.695 -6.210 6.764 1.00 52.35 H new ATOM 0 HD3 PRO A 23 7.830 -4.509 7.162 1.00 52.35 H new ATOM 362 N LEU A 24 9.070 -6.170 2.116 1.00 64.33 N ATOM 363 CA LEU A 24 8.646 -7.078 1.042 1.00 72.23 C ATOM 364 C LEU A 24 9.600 -8.271 0.890 1.00 0.05 C ATOM 365 O LEU A 24 9.188 -9.427 1.021 1.00 14.30 O ATOM 366 CB LEU A 24 8.547 -6.318 -0.289 1.00 63.13 C ATOM 367 CG LEU A 24 7.543 -5.152 -0.315 1.00 4.12 C ATOM 368 CD1 LEU A 24 7.525 -4.489 -1.690 1.00 33.32 C ATOM 369 CD2 LEU A 24 6.143 -5.631 0.074 1.00 71.23 C ATOM 0 H LEU A 24 9.348 -5.243 1.795 1.00 64.33 H new ATOM 0 HA LEU A 24 7.665 -7.468 1.314 1.00 72.23 H new ATOM 0 HB2 LEU A 24 9.534 -5.930 -0.540 1.00 63.13 H new ATOM 0 HB3 LEU A 24 8.275 -7.026 -1.072 1.00 63.13 H new ATOM 0 HG LEU A 24 7.862 -4.411 0.418 1.00 4.12 H new ATOM 0 HD11 LEU A 24 6.809 -3.667 -1.688 1.00 33.32 H new ATOM 0 HD12 LEU A 24 8.518 -4.105 -1.922 1.00 33.32 H new ATOM 0 HD13 LEU A 24 7.235 -5.221 -2.443 1.00 33.32 H new ATOM 0 HD21 LEU A 24 5.450 -4.790 0.049 1.00 71.23 H new ATOM 0 HD22 LEU A 24 5.812 -6.395 -0.629 1.00 71.23 H new ATOM 0 HD23 LEU A 24 6.168 -6.050 1.080 1.00 71.23 H new ATOM 381 N THR A 25 10.869 -7.983 0.614 1.00 1.52 N ATOM 382 CA THR A 25 11.881 -9.027 0.401 1.00 71.21 C ATOM 383 C THR A 25 11.936 -10.022 1.570 1.00 11.34 C ATOM 384 O THR A 25 12.096 -9.632 2.727 1.00 53.52 O ATOM 385 CB THR A 25 13.284 -8.416 0.210 1.00 45.34 C ATOM 386 OG1 THR A 25 13.278 -7.507 -0.901 1.00 14.02 O ATOM 387 CG2 THR A 25 14.335 -9.496 -0.020 1.00 64.34 C ATOM 0 H THR A 25 11.227 -7.032 0.531 1.00 1.52 H new ATOM 0 HA THR A 25 11.584 -9.558 -0.504 1.00 71.21 H new ATOM 0 HB THR A 25 13.540 -7.879 1.123 1.00 45.34 H new ATOM 0 HG1 THR A 25 14.036 -7.705 -1.490 1.00 14.02 H new ATOM 0 HG21 THR A 25 15.312 -9.031 -0.151 1.00 64.34 H new ATOM 0 HG22 THR A 25 14.364 -10.165 0.840 1.00 64.34 H new ATOM 0 HG23 THR A 25 14.082 -10.066 -0.914 1.00 64.34 H new ATOM 395 N GLY A 26 11.806 -11.309 1.257 1.00 12.23 N ATOM 396 CA GLY A 26 11.861 -12.345 2.285 1.00 63.23 C ATOM 397 C GLY A 26 10.490 -12.734 2.838 1.00 64.12 C ATOM 398 O GLY A 26 10.332 -13.820 3.397 1.00 43.24 O ATOM 0 H GLY A 26 11.663 -11.657 0.309 1.00 12.23 H new ATOM 0 HA2 GLY A 26 12.341 -13.231 1.870 1.00 63.23 H new ATOM 0 HA3 GLY A 26 12.489 -11.998 3.105 1.00 63.23 H new ATOM 402 N HIS A 27 9.494 -11.857 2.688 1.00 43.22 N ATOM 403 CA HIS A 27 8.142 -12.131 3.199 1.00 74.24 C ATOM 404 C HIS A 27 7.287 -12.916 2.191 1.00 40.44 C ATOM 405 O HIS A 27 6.777 -12.354 1.214 1.00 0.51 O ATOM 406 CB HIS A 27 7.417 -10.831 3.576 1.00 73.22 C ATOM 407 CG HIS A 27 5.984 -11.045 3.984 1.00 1.40 C ATOM 408 ND1 HIS A 27 4.939 -11.009 3.086 1.00 61.24 N ATOM 409 CD2 HIS A 27 5.426 -11.331 5.187 1.00 5.55 C ATOM 410 CE1 HIS A 27 3.809 -11.259 3.713 1.00 22.00 C ATOM 411 NE2 HIS A 27 4.071 -11.461 4.987 1.00 10.31 N ATOM 0 H HIS A 27 9.594 -10.956 2.220 1.00 43.22 H new ATOM 0 HA HIS A 27 8.271 -12.745 4.090 1.00 74.24 H new ATOM 0 HB2 HIS A 27 7.952 -10.349 4.394 1.00 73.22 H new ATOM 0 HB3 HIS A 27 7.448 -10.147 2.728 1.00 73.22 H new ATOM 0 HD2 HIS A 27 5.948 -11.437 6.126 1.00 5.55 H new ATOM 0 HE1 HIS A 27 2.830 -11.293 3.258 1.00 22.00 H new ATOM 0 HE2 HIS A 27 3.383 -11.678 5.708 1.00 10.31 H new ATOM 420 N LYS A 28 7.115 -14.209 2.449 1.00 51.43 N ATOM 421 CA LYS A 28 6.230 -15.058 1.641 1.00 63.33 C ATOM 422 C LYS A 28 4.784 -14.984 2.165 1.00 73.54 C ATOM 423 O LYS A 28 4.485 -14.211 3.078 1.00 44.52 O ATOM 424 CB LYS A 28 6.732 -16.511 1.664 1.00 70.30 C ATOM 425 CG LYS A 28 6.772 -17.119 3.062 1.00 14.13 C ATOM 426 CD LYS A 28 7.423 -18.497 3.070 1.00 61.15 C ATOM 427 CE LYS A 28 7.568 -19.045 4.488 1.00 51.02 C ATOM 428 NZ LYS A 28 8.417 -18.166 5.337 1.00 42.03 N ATOM 0 H LYS A 28 7.578 -14.699 3.215 1.00 51.43 H new ATOM 0 HA LYS A 28 6.241 -14.696 0.613 1.00 63.33 H new ATOM 0 HB2 LYS A 28 6.087 -17.120 1.030 1.00 70.30 H new ATOM 0 HB3 LYS A 28 7.732 -16.548 1.231 1.00 70.30 H new ATOM 0 HG2 LYS A 28 7.321 -16.455 3.730 1.00 14.13 H new ATOM 0 HG3 LYS A 28 5.757 -17.196 3.453 1.00 14.13 H new ATOM 0 HD2 LYS A 28 6.825 -19.186 2.473 1.00 61.15 H new ATOM 0 HD3 LYS A 28 8.405 -18.438 2.600 1.00 61.15 H new ATOM 0 HE2 LYS A 28 6.582 -19.145 4.941 1.00 51.02 H new ATOM 0 HE3 LYS A 28 8.004 -20.043 4.449 1.00 51.02 H new ATOM 0 HZ1 LYS A 28 8.729 -18.692 6.178 1.00 42.03 H new ATOM 0 HZ2 LYS A 28 9.248 -17.856 4.794 1.00 42.03 H new ATOM 0 HZ3 LYS A 28 7.868 -17.334 5.633 1.00 42.03 H new ATOM 442 N GLY A 29 3.897 -15.781 1.580 1.00 63.22 N ATOM 443 CA GLY A 29 2.512 -15.826 2.035 1.00 61.35 C ATOM 444 C GLY A 29 1.702 -14.580 1.688 1.00 0.13 C ATOM 445 O GLY A 29 2.104 -13.775 0.844 1.00 3.52 O ATOM 0 H GLY A 29 4.109 -16.399 0.797 1.00 63.22 H new ATOM 0 HA2 GLY A 29 2.025 -16.697 1.597 1.00 61.35 H new ATOM 0 HA3 GLY A 29 2.500 -15.965 3.116 1.00 61.35 H new ATOM 449 N ASN A 30 0.558 -14.425 2.348 1.00 70.22 N ATOM 450 CA ASN A 30 -0.374 -13.326 2.068 1.00 42.35 C ATOM 451 C ASN A 30 -0.579 -12.430 3.305 1.00 73.35 C ATOM 452 O ASN A 30 -0.829 -12.920 4.409 1.00 14.10 O ATOM 453 CB ASN A 30 -1.717 -13.912 1.608 1.00 54.23 C ATOM 454 CG ASN A 30 -2.703 -12.854 1.147 1.00 30.11 C ATOM 455 OD1 ASN A 30 -3.490 -12.337 1.928 1.00 22.50 O ATOM 456 ND2 ASN A 30 -2.673 -12.529 -0.128 1.00 34.05 N ATOM 0 H ASN A 30 0.247 -15.052 3.090 1.00 70.22 H new ATOM 0 HA ASN A 30 0.049 -12.703 1.280 1.00 42.35 H new ATOM 0 HB2 ASN A 30 -1.540 -14.614 0.793 1.00 54.23 H new ATOM 0 HB3 ASN A 30 -2.159 -14.479 2.427 1.00 54.23 H new ATOM 0 HD21 ASN A 30 -3.318 -11.827 -0.491 1.00 34.05 H new ATOM 0 HD22 ASN A 30 -2.004 -12.979 -0.753 1.00 34.05 H new ATOM 463 N GLU A 31 -0.465 -11.115 3.109 1.00 31.24 N ATOM 464 CA GLU A 31 -0.641 -10.131 4.193 1.00 53.42 C ATOM 465 C GLU A 31 -1.575 -8.988 3.747 1.00 74.22 C ATOM 466 O GLU A 31 -1.242 -8.227 2.842 1.00 34.03 O ATOM 467 CB GLU A 31 0.727 -9.560 4.601 1.00 63.33 C ATOM 468 CG GLU A 31 0.692 -8.627 5.812 1.00 61.22 C ATOM 469 CD GLU A 31 0.346 -9.350 7.105 1.00 41.40 C ATOM 470 OE1 GLU A 31 1.235 -10.024 7.672 1.00 21.11 O ATOM 471 OE2 GLU A 31 -0.813 -9.253 7.563 1.00 71.45 O ATOM 0 H GLU A 31 -0.250 -10.699 2.203 1.00 31.24 H new ATOM 0 HA GLU A 31 -1.095 -10.632 5.048 1.00 53.42 H new ATOM 0 HB2 GLU A 31 1.402 -10.388 4.816 1.00 63.33 H new ATOM 0 HB3 GLU A 31 1.147 -9.018 3.754 1.00 63.33 H new ATOM 0 HG2 GLU A 31 1.663 -8.144 5.920 1.00 61.22 H new ATOM 0 HG3 GLU A 31 -0.039 -7.838 5.636 1.00 61.22 H new ATOM 478 N GLN A 32 -2.741 -8.871 4.382 1.00 3.43 N ATOM 479 CA GLN A 32 -3.743 -7.866 3.984 1.00 50.31 C ATOM 480 C GLN A 32 -4.042 -6.872 5.119 1.00 72.55 C ATOM 481 O GLN A 32 -4.128 -7.255 6.285 1.00 53.32 O ATOM 482 CB GLN A 32 -5.042 -8.567 3.554 1.00 10.32 C ATOM 483 CG GLN A 32 -4.843 -9.600 2.450 1.00 23.21 C ATOM 484 CD GLN A 32 -6.123 -10.333 2.083 1.00 34.40 C ATOM 485 OE1 GLN A 32 -7.025 -10.492 2.901 1.00 34.45 O ATOM 486 NE2 GLN A 32 -6.204 -10.810 0.859 1.00 75.51 N ATOM 0 H GLN A 32 -3.020 -9.454 5.171 1.00 3.43 H new ATOM 0 HA GLN A 32 -3.330 -7.302 3.148 1.00 50.31 H new ATOM 0 HB2 GLN A 32 -5.485 -9.056 4.422 1.00 10.32 H new ATOM 0 HB3 GLN A 32 -5.754 -7.816 3.213 1.00 10.32 H new ATOM 0 HG2 GLN A 32 -4.448 -9.104 1.563 1.00 23.21 H new ATOM 0 HG3 GLN A 32 -4.095 -10.325 2.770 1.00 23.21 H new ATOM 0 HE21 GLN A 32 -5.438 -10.661 0.202 1.00 75.51 H new ATOM 0 HE22 GLN A 32 -7.033 -11.328 0.567 1.00 75.51 H new ATOM 495 N PHE A 33 -4.209 -5.597 4.767 1.00 24.32 N ATOM 496 CA PHE A 33 -4.553 -4.555 5.745 1.00 53.45 C ATOM 497 C PHE A 33 -5.446 -3.473 5.116 1.00 43.22 C ATOM 498 O PHE A 33 -5.383 -3.226 3.908 1.00 31.32 O ATOM 499 CB PHE A 33 -3.282 -3.933 6.354 1.00 12.30 C ATOM 500 CG PHE A 33 -2.345 -3.290 5.355 1.00 61.31 C ATOM 501 CD1 PHE A 33 -1.441 -4.062 4.634 1.00 12.05 C ATOM 502 CD2 PHE A 33 -2.357 -1.916 5.149 1.00 41.53 C ATOM 503 CE1 PHE A 33 -0.571 -3.477 3.734 1.00 51.12 C ATOM 504 CE2 PHE A 33 -1.488 -1.328 4.247 1.00 15.43 C ATOM 505 CZ PHE A 33 -0.595 -2.108 3.540 1.00 32.23 C ATOM 0 H PHE A 33 -4.112 -5.257 3.810 1.00 24.32 H new ATOM 0 HA PHE A 33 -5.119 -5.027 6.548 1.00 53.45 H new ATOM 0 HB2 PHE A 33 -3.578 -3.183 7.087 1.00 12.30 H new ATOM 0 HB3 PHE A 33 -2.738 -4.709 6.893 1.00 12.30 H new ATOM 0 HD1 PHE A 33 -1.419 -5.132 4.779 1.00 12.05 H new ATOM 0 HD2 PHE A 33 -3.053 -1.300 5.699 1.00 41.53 H new ATOM 0 HE1 PHE A 33 0.127 -4.089 3.182 1.00 51.12 H new ATOM 0 HE2 PHE A 33 -1.508 -0.259 4.096 1.00 15.43 H new ATOM 0 HZ PHE A 33 0.084 -1.650 2.836 1.00 32.23 H new ATOM 515 N THR A 34 -6.271 -2.827 5.941 1.00 43.12 N ATOM 516 CA THR A 34 -7.282 -1.879 5.445 1.00 2.41 C ATOM 517 C THR A 34 -6.999 -0.434 5.885 1.00 13.22 C ATOM 518 O THR A 34 -7.000 -0.116 7.076 1.00 64.41 O ATOM 519 CB THR A 34 -8.706 -2.273 5.917 1.00 14.55 C ATOM 520 OG1 THR A 34 -9.026 -3.592 5.450 1.00 3.21 O ATOM 521 CG2 THR A 34 -9.754 -1.283 5.404 1.00 3.32 C ATOM 0 H THR A 34 -6.263 -2.939 6.955 1.00 43.12 H new ATOM 0 HA THR A 34 -7.227 -1.929 4.358 1.00 2.41 H new ATOM 0 HB THR A 34 -8.718 -2.253 7.007 1.00 14.55 H new ATOM 0 HG1 THR A 34 -9.926 -3.837 5.752 1.00 3.21 H new ATOM 0 HG21 THR A 34 -10.742 -1.586 5.751 1.00 3.32 H new ATOM 0 HG22 THR A 34 -9.527 -0.286 5.780 1.00 3.32 H new ATOM 0 HG23 THR A 34 -9.741 -1.271 4.314 1.00 3.32 H new ATOM 529 N ILE A 35 -6.772 0.436 4.906 1.00 61.41 N ATOM 530 CA ILE A 35 -6.546 1.862 5.157 1.00 41.32 C ATOM 531 C ILE A 35 -7.878 2.629 5.230 1.00 73.30 C ATOM 532 O ILE A 35 -8.552 2.819 4.216 1.00 42.44 O ATOM 533 CB ILE A 35 -5.663 2.480 4.043 1.00 22.34 C ATOM 534 CG1 ILE A 35 -4.323 1.733 3.946 1.00 65.43 C ATOM 535 CG2 ILE A 35 -5.439 3.972 4.293 1.00 32.52 C ATOM 536 CD1 ILE A 35 -3.447 2.195 2.797 1.00 72.43 C ATOM 0 H ILE A 35 -6.739 0.178 3.920 1.00 61.41 H new ATOM 0 HA ILE A 35 -6.034 1.948 6.115 1.00 41.32 H new ATOM 0 HB ILE A 35 -6.184 2.374 3.091 1.00 22.34 H new ATOM 0 HG12 ILE A 35 -3.778 1.861 4.881 1.00 65.43 H new ATOM 0 HG13 ILE A 35 -4.519 0.667 3.835 1.00 65.43 H new ATOM 0 HG21 ILE A 35 -4.817 4.385 3.499 1.00 32.52 H new ATOM 0 HG22 ILE A 35 -6.400 4.487 4.306 1.00 32.52 H new ATOM 0 HG23 ILE A 35 -4.941 4.109 5.253 1.00 32.52 H new ATOM 0 HD11 ILE A 35 -2.520 1.622 2.793 1.00 72.43 H new ATOM 0 HD12 ILE A 35 -3.972 2.041 1.854 1.00 72.43 H new ATOM 0 HD13 ILE A 35 -3.219 3.254 2.916 1.00 72.43 H new ATOM 548 N LYS A 36 -8.258 3.056 6.431 1.00 42.53 N ATOM 549 CA LYS A 36 -9.501 3.814 6.632 1.00 72.33 C ATOM 550 C LYS A 36 -9.243 5.331 6.566 1.00 70.22 C ATOM 551 O LYS A 36 -8.691 5.916 7.498 1.00 13.13 O ATOM 552 CB LYS A 36 -10.129 3.426 7.978 1.00 32.01 C ATOM 553 CG LYS A 36 -10.620 1.977 8.026 1.00 32.52 C ATOM 554 CD LYS A 36 -10.972 1.532 9.443 1.00 62.25 C ATOM 555 CE LYS A 36 -9.733 1.433 10.328 1.00 72.33 C ATOM 556 NZ LYS A 36 -10.064 0.995 11.710 1.00 34.44 N ATOM 0 H LYS A 36 -7.725 2.892 7.285 1.00 42.53 H new ATOM 0 HA LYS A 36 -10.196 3.565 5.830 1.00 72.33 H new ATOM 0 HB2 LYS A 36 -9.396 3.580 8.770 1.00 32.01 H new ATOM 0 HB3 LYS A 36 -10.966 4.092 8.185 1.00 32.01 H new ATOM 0 HG2 LYS A 36 -11.496 1.871 7.386 1.00 32.52 H new ATOM 0 HG3 LYS A 36 -9.849 1.321 7.622 1.00 32.52 H new ATOM 0 HD2 LYS A 36 -11.677 2.238 9.882 1.00 62.25 H new ATOM 0 HD3 LYS A 36 -11.472 0.564 9.407 1.00 62.25 H new ATOM 0 HE2 LYS A 36 -9.027 0.730 9.885 1.00 72.33 H new ATOM 0 HE3 LYS A 36 -9.236 2.403 10.365 1.00 72.33 H new ATOM 0 HZ1 LYS A 36 -9.193 0.942 12.275 1.00 34.44 H new ATOM 0 HZ2 LYS A 36 -10.717 1.678 12.144 1.00 34.44 H new ATOM 0 HZ3 LYS A 36 -10.514 0.058 11.679 1.00 34.44 H new ATOM 570 N GLY A 37 -9.640 5.956 5.455 1.00 71.22 N ATOM 571 CA GLY A 37 -9.351 7.373 5.236 1.00 74.12 C ATOM 572 C GLY A 37 -10.433 8.319 5.752 1.00 34.30 C ATOM 573 O GLY A 37 -10.199 9.090 6.686 1.00 23.30 O ATOM 0 H GLY A 37 -10.158 5.507 4.700 1.00 71.22 H new ATOM 0 HA2 GLY A 37 -8.407 7.619 5.722 1.00 74.12 H new ATOM 0 HA3 GLY A 37 -9.214 7.544 4.168 1.00 74.12 H new ATOM 577 N LYS A 38 -11.614 8.277 5.132 1.00 62.11 N ATOM 578 CA LYS A 38 -12.713 9.185 5.491 1.00 23.32 C ATOM 579 C LYS A 38 -14.051 8.697 4.917 1.00 63.00 C ATOM 580 O LYS A 38 -14.171 8.471 3.712 1.00 32.42 O ATOM 581 CB LYS A 38 -12.418 10.606 4.976 1.00 23.41 C ATOM 582 CG LYS A 38 -13.476 11.644 5.359 1.00 41.34 C ATOM 583 CD LYS A 38 -13.187 13.009 4.735 1.00 71.30 C ATOM 584 CE LYS A 38 -14.201 14.064 5.175 1.00 2.33 C ATOM 585 NZ LYS A 38 -13.948 15.377 4.520 1.00 60.45 N ATOM 0 H LYS A 38 -11.837 7.626 4.379 1.00 62.11 H new ATOM 0 HA LYS A 38 -12.790 9.200 6.578 1.00 23.32 H new ATOM 0 HB2 LYS A 38 -11.452 10.928 5.365 1.00 23.41 H new ATOM 0 HB3 LYS A 38 -12.331 10.576 3.890 1.00 23.41 H new ATOM 0 HG2 LYS A 38 -14.458 11.298 5.036 1.00 41.34 H new ATOM 0 HG3 LYS A 38 -13.513 11.741 6.444 1.00 41.34 H new ATOM 0 HD2 LYS A 38 -12.184 13.331 5.015 1.00 71.30 H new ATOM 0 HD3 LYS A 38 -13.202 12.922 3.649 1.00 71.30 H new ATOM 0 HE2 LYS A 38 -15.208 13.724 4.933 1.00 2.33 H new ATOM 0 HE3 LYS A 38 -14.156 14.183 6.258 1.00 2.33 H new ATOM 0 HZ1 LYS A 38 -14.655 16.068 4.843 1.00 60.45 H new ATOM 0 HZ2 LYS A 38 -12.996 15.713 4.771 1.00 60.45 H new ATOM 0 HZ3 LYS A 38 -14.015 15.269 3.488 1.00 60.45 H new ATOM 599 N GLY A 39 -15.053 8.541 5.782 1.00 3.20 N ATOM 600 CA GLY A 39 -16.377 8.112 5.338 1.00 14.34 C ATOM 601 C GLY A 39 -16.367 6.752 4.642 1.00 74.23 C ATOM 602 O GLY A 39 -16.221 5.713 5.291 1.00 14.43 O ATOM 0 H GLY A 39 -14.974 8.704 6.786 1.00 3.20 H new ATOM 0 HA2 GLY A 39 -17.045 8.068 6.198 1.00 14.34 H new ATOM 0 HA3 GLY A 39 -16.784 8.859 4.656 1.00 14.34 H new ATOM 606 N ALA A 40 -16.511 6.761 3.320 1.00 24.52 N ATOM 607 CA ALA A 40 -16.510 5.525 2.523 1.00 22.20 C ATOM 608 C ALA A 40 -15.176 5.313 1.779 1.00 21.02 C ATOM 609 O ALA A 40 -14.995 4.316 1.077 1.00 42.23 O ATOM 610 CB ALA A 40 -17.667 5.553 1.532 1.00 3.41 C ATOM 0 H ALA A 40 -16.631 7.612 2.770 1.00 24.52 H new ATOM 0 HA ALA A 40 -16.632 4.687 3.209 1.00 22.20 H new ATOM 0 HB1 ALA A 40 -17.664 4.636 0.943 1.00 3.41 H new ATOM 0 HB2 ALA A 40 -18.609 5.632 2.075 1.00 3.41 H new ATOM 0 HB3 ALA A 40 -17.557 6.411 0.869 1.00 3.41 H new ATOM 616 N GLN A 41 -14.245 6.255 1.931 1.00 64.32 N ATOM 617 CA GLN A 41 -12.953 6.182 1.237 1.00 41.53 C ATOM 618 C GLN A 41 -11.932 5.324 2.007 1.00 15.42 C ATOM 619 O GLN A 41 -11.173 5.830 2.839 1.00 31.23 O ATOM 620 CB GLN A 41 -12.386 7.593 1.001 1.00 42.14 C ATOM 621 CG GLN A 41 -13.261 8.468 0.104 1.00 40.43 C ATOM 622 CD GLN A 41 -12.608 9.797 -0.256 1.00 44.52 C ATOM 623 OE1 GLN A 41 -12.838 10.345 -1.329 1.00 51.13 O ATOM 624 NE2 GLN A 41 -11.799 10.335 0.636 1.00 15.52 N ATOM 0 H GLN A 41 -14.358 7.076 2.526 1.00 64.32 H new ATOM 0 HA GLN A 41 -13.131 5.701 0.275 1.00 41.53 H new ATOM 0 HB2 GLN A 41 -12.259 8.089 1.963 1.00 42.14 H new ATOM 0 HB3 GLN A 41 -11.396 7.506 0.554 1.00 42.14 H new ATOM 0 HG2 GLN A 41 -13.491 7.923 -0.812 1.00 40.43 H new ATOM 0 HG3 GLN A 41 -14.209 8.660 0.607 1.00 40.43 H new ATOM 0 HE21 GLN A 41 -11.625 9.858 1.521 1.00 15.52 H new ATOM 0 HE22 GLN A 41 -11.347 11.228 0.441 1.00 15.52 H new ATOM 633 N TYR A 42 -11.934 4.020 1.728 1.00 23.54 N ATOM 634 CA TYR A 42 -10.936 3.096 2.290 1.00 14.13 C ATOM 635 C TYR A 42 -10.019 2.547 1.187 1.00 63.14 C ATOM 636 O TYR A 42 -10.295 2.722 -0.001 1.00 53.32 O ATOM 637 CB TYR A 42 -11.630 1.931 3.018 1.00 53.34 C ATOM 638 CG TYR A 42 -12.383 0.980 2.096 1.00 2.20 C ATOM 639 CD1 TYR A 42 -13.718 1.201 1.769 1.00 72.33 C ATOM 640 CD2 TYR A 42 -11.757 -0.141 1.552 1.00 25.42 C ATOM 641 CE1 TYR A 42 -14.401 0.339 0.935 1.00 62.24 C ATOM 642 CE2 TYR A 42 -12.437 -1.005 0.715 1.00 43.54 C ATOM 643 CZ TYR A 42 -13.757 -0.761 0.410 1.00 1.34 C ATOM 644 OH TYR A 42 -14.439 -1.623 -0.420 1.00 12.22 O ATOM 0 H TYR A 42 -12.616 3.574 1.115 1.00 23.54 H new ATOM 0 HA TYR A 42 -10.329 3.651 3.005 1.00 14.13 H new ATOM 0 HB2 TYR A 42 -10.881 1.365 3.572 1.00 53.34 H new ATOM 0 HB3 TYR A 42 -12.327 2.338 3.750 1.00 53.34 H new ATOM 0 HD1 TYR A 42 -14.228 2.062 2.175 1.00 72.33 H new ATOM 0 HD2 TYR A 42 -10.722 -0.338 1.789 1.00 25.42 H new ATOM 0 HE1 TYR A 42 -15.437 0.526 0.694 1.00 62.24 H new ATOM 0 HE2 TYR A 42 -11.935 -1.868 0.302 1.00 43.54 H new ATOM 0 HH TYR A 42 -13.841 -2.345 -0.704 1.00 12.22 H new ATOM 654 N ASN A 43 -8.931 1.892 1.583 1.00 74.50 N ATOM 655 CA ASN A 43 -8.037 1.204 0.635 1.00 53.51 C ATOM 656 C ASN A 43 -7.644 -0.186 1.162 1.00 63.11 C ATOM 657 O ASN A 43 -6.938 -0.300 2.165 1.00 52.04 O ATOM 658 CB ASN A 43 -6.764 2.024 0.383 1.00 71.11 C ATOM 659 CG ASN A 43 -7.033 3.322 -0.350 1.00 12.42 C ATOM 660 OD1 ASN A 43 -7.253 4.362 0.260 1.00 23.51 O ATOM 661 ND2 ASN A 43 -7.034 3.272 -1.668 1.00 51.14 N ATOM 0 H ASN A 43 -8.640 1.819 2.558 1.00 74.50 H new ATOM 0 HA ASN A 43 -8.582 1.093 -0.302 1.00 53.51 H new ATOM 0 HB2 ASN A 43 -6.285 2.244 1.337 1.00 71.11 H new ATOM 0 HB3 ASN A 43 -6.061 1.425 -0.196 1.00 71.11 H new ATOM 0 HD21 ASN A 43 -7.222 4.115 -2.210 1.00 51.14 H new ATOM 0 HD22 ASN A 43 -6.847 2.390 -2.145 1.00 51.14 H new ATOM 668 N LEU A 44 -8.107 -1.237 0.490 1.00 4.21 N ATOM 669 CA LEU A 44 -7.753 -2.614 0.869 1.00 22.21 C ATOM 670 C LEU A 44 -6.446 -3.051 0.184 1.00 2.24 C ATOM 671 O LEU A 44 -6.408 -3.258 -1.030 1.00 22.34 O ATOM 672 CB LEU A 44 -8.897 -3.573 0.502 1.00 42.51 C ATOM 673 CG LEU A 44 -8.707 -5.037 0.944 1.00 12.10 C ATOM 674 CD1 LEU A 44 -8.513 -5.132 2.457 1.00 22.10 C ATOM 675 CD2 LEU A 44 -9.893 -5.890 0.495 1.00 54.33 C ATOM 0 H LEU A 44 -8.726 -1.168 -0.318 1.00 4.21 H new ATOM 0 HA LEU A 44 -7.598 -2.646 1.947 1.00 22.21 H new ATOM 0 HB2 LEU A 44 -9.819 -3.196 0.944 1.00 42.51 H new ATOM 0 HB3 LEU A 44 -9.031 -3.553 -0.580 1.00 42.51 H new ATOM 0 HG LEU A 44 -7.806 -5.422 0.466 1.00 12.10 H new ATOM 0 HD11 LEU A 44 -8.381 -6.176 2.742 1.00 22.10 H new ATOM 0 HD12 LEU A 44 -7.630 -4.562 2.747 1.00 22.10 H new ATOM 0 HD13 LEU A 44 -9.389 -4.726 2.962 1.00 22.10 H new ATOM 0 HD21 LEU A 44 -9.742 -6.921 0.816 1.00 54.33 H new ATOM 0 HD22 LEU A 44 -10.809 -5.502 0.940 1.00 54.33 H new ATOM 0 HD23 LEU A 44 -9.975 -5.856 -0.591 1.00 54.33 H new ATOM 687 N MET A 45 -5.378 -3.193 0.971 1.00 70.55 N ATOM 688 CA MET A 45 -4.044 -3.521 0.440 1.00 41.35 C ATOM 689 C MET A 45 -3.705 -5.012 0.615 1.00 44.10 C ATOM 690 O MET A 45 -4.282 -5.700 1.462 1.00 20.42 O ATOM 691 CB MET A 45 -2.984 -2.669 1.148 1.00 25.11 C ATOM 692 CG MET A 45 -3.208 -1.168 1.017 1.00 22.10 C ATOM 693 SD MET A 45 -3.056 -0.580 -0.682 1.00 33.52 S ATOM 694 CE MET A 45 -1.346 -0.983 -1.037 1.00 3.52 C ATOM 0 H MET A 45 -5.407 -3.086 1.985 1.00 70.55 H new ATOM 0 HA MET A 45 -4.051 -3.304 -0.628 1.00 41.35 H new ATOM 0 HB2 MET A 45 -2.967 -2.933 2.205 1.00 25.11 H new ATOM 0 HB3 MET A 45 -2.003 -2.917 0.742 1.00 25.11 H new ATOM 0 HG2 MET A 45 -4.200 -0.920 1.395 1.00 22.10 H new ATOM 0 HG3 MET A 45 -2.488 -0.642 1.644 1.00 22.10 H new ATOM 0 HE1 MET A 45 -0.999 -0.385 -1.880 1.00 3.52 H new ATOM 0 HE2 MET A 45 -0.732 -0.768 -0.162 1.00 3.52 H new ATOM 0 HE3 MET A 45 -1.266 -2.041 -1.285 1.00 3.52 H new ATOM 704 N GLU A 46 -2.750 -5.500 -0.184 1.00 23.33 N ATOM 705 CA GLU A 46 -2.330 -6.908 -0.130 1.00 52.22 C ATOM 706 C GLU A 46 -0.836 -7.087 -0.465 1.00 10.44 C ATOM 707 O GLU A 46 -0.335 -6.544 -1.451 1.00 5.25 O ATOM 708 CB GLU A 46 -3.177 -7.740 -1.101 1.00 52.23 C ATOM 709 CG GLU A 46 -2.826 -9.224 -1.117 1.00 43.41 C ATOM 710 CD GLU A 46 -3.729 -10.028 -2.038 1.00 62.51 C ATOM 711 OE1 GLU A 46 -4.779 -10.514 -1.572 1.00 15.51 O ATOM 712 OE2 GLU A 46 -3.396 -10.178 -3.231 1.00 73.22 O ATOM 0 H GLU A 46 -2.252 -4.942 -0.877 1.00 23.33 H new ATOM 0 HA GLU A 46 -2.481 -7.253 0.893 1.00 52.22 H new ATOM 0 HB2 GLU A 46 -4.229 -7.629 -0.836 1.00 52.23 H new ATOM 0 HB3 GLU A 46 -3.057 -7.338 -2.107 1.00 52.23 H new ATOM 0 HG2 GLU A 46 -1.790 -9.345 -1.433 1.00 43.41 H new ATOM 0 HG3 GLU A 46 -2.899 -9.622 -0.105 1.00 43.41 H new ATOM 719 N VAL A 47 -0.138 -7.857 0.370 1.00 42.13 N ATOM 720 CA VAL A 47 1.262 -8.232 0.135 1.00 15.53 C ATOM 721 C VAL A 47 1.384 -9.760 -0.003 1.00 24.14 C ATOM 722 O VAL A 47 1.266 -10.488 0.985 1.00 62.42 O ATOM 723 CB VAL A 47 2.178 -7.753 1.297 1.00 12.33 C ATOM 724 CG1 VAL A 47 3.635 -8.130 1.034 1.00 44.23 C ATOM 725 CG2 VAL A 47 2.034 -6.248 1.521 1.00 44.03 C ATOM 0 H VAL A 47 -0.526 -8.241 1.232 1.00 42.13 H new ATOM 0 HA VAL A 47 1.584 -7.748 -0.787 1.00 15.53 H new ATOM 0 HB VAL A 47 1.859 -8.260 2.208 1.00 12.33 H new ATOM 0 HG11 VAL A 47 4.255 -7.784 1.861 1.00 44.23 H new ATOM 0 HG12 VAL A 47 3.720 -9.213 0.945 1.00 44.23 H new ATOM 0 HG13 VAL A 47 3.970 -7.662 0.108 1.00 44.23 H new ATOM 0 HG21 VAL A 47 2.685 -5.938 2.339 1.00 44.03 H new ATOM 0 HG22 VAL A 47 2.315 -5.716 0.612 1.00 44.03 H new ATOM 0 HG23 VAL A 47 0.999 -6.015 1.772 1.00 44.03 H new ATOM 735 N ASP A 48 1.623 -10.245 -1.222 1.00 53.44 N ATOM 736 CA ASP A 48 1.633 -11.690 -1.490 1.00 12.13 C ATOM 737 C ASP A 48 2.983 -12.149 -2.075 1.00 54.31 C ATOM 738 O ASP A 48 3.196 -12.098 -3.284 1.00 4.13 O ATOM 739 CB ASP A 48 0.486 -12.043 -2.449 1.00 42.42 C ATOM 740 CG ASP A 48 0.199 -13.536 -2.516 1.00 30.21 C ATOM 741 OD1 ASP A 48 0.893 -14.254 -3.266 1.00 31.25 O ATOM 742 OD2 ASP A 48 -0.732 -13.998 -1.823 1.00 42.32 O ATOM 0 H ASP A 48 1.812 -9.664 -2.039 1.00 53.44 H new ATOM 0 HA ASP A 48 1.492 -12.214 -0.545 1.00 12.13 H new ATOM 0 HB2 ASP A 48 -0.417 -11.520 -2.134 1.00 42.42 H new ATOM 0 HB3 ASP A 48 0.732 -11.682 -3.448 1.00 42.42 H new ATOM 747 N GLY A 49 3.893 -12.595 -1.210 1.00 2.13 N ATOM 748 CA GLY A 49 5.202 -13.071 -1.664 1.00 20.53 C ATOM 749 C GLY A 49 6.106 -11.976 -2.243 1.00 32.43 C ATOM 750 O GLY A 49 6.288 -11.884 -3.459 1.00 62.43 O ATOM 0 H GLY A 49 3.752 -12.637 -0.201 1.00 2.13 H new ATOM 0 HA2 GLY A 49 5.714 -13.543 -0.826 1.00 20.53 H new ATOM 0 HA3 GLY A 49 5.053 -13.841 -2.421 1.00 20.53 H new ATOM 754 N GLU A 50 6.678 -11.149 -1.364 1.00 52.51 N ATOM 755 CA GLU A 50 7.650 -10.107 -1.758 1.00 71.45 C ATOM 756 C GLU A 50 7.076 -9.063 -2.743 1.00 73.22 C ATOM 757 O GLU A 50 7.829 -8.329 -3.379 1.00 30.21 O ATOM 758 CB GLU A 50 8.905 -10.758 -2.369 1.00 11.44 C ATOM 759 CG GLU A 50 9.644 -11.699 -1.420 1.00 12.22 C ATOM 760 CD GLU A 50 10.871 -12.331 -2.058 1.00 62.52 C ATOM 761 OE1 GLU A 50 11.968 -11.737 -1.973 1.00 13.45 O ATOM 762 OE2 GLU A 50 10.738 -13.422 -2.658 1.00 53.14 O ATOM 0 H GLU A 50 6.487 -11.176 -0.362 1.00 52.51 H new ATOM 0 HA GLU A 50 7.905 -9.569 -0.845 1.00 71.45 H new ATOM 0 HB2 GLU A 50 8.615 -11.313 -3.261 1.00 11.44 H new ATOM 0 HB3 GLU A 50 9.589 -9.972 -2.690 1.00 11.44 H new ATOM 0 HG2 GLU A 50 9.946 -11.147 -0.530 1.00 12.22 H new ATOM 0 HG3 GLU A 50 8.964 -12.485 -1.092 1.00 12.22 H new ATOM 769 N ARG A 51 5.753 -8.982 -2.855 1.00 64.53 N ATOM 770 CA ARG A 51 5.115 -8.016 -3.761 1.00 73.03 C ATOM 771 C ARG A 51 3.812 -7.468 -3.160 1.00 61.55 C ATOM 772 O ARG A 51 3.102 -8.176 -2.444 1.00 3.32 O ATOM 773 CB ARG A 51 4.856 -8.676 -5.123 1.00 64.21 C ATOM 774 CG ARG A 51 3.844 -9.815 -5.069 1.00 73.33 C ATOM 775 CD ARG A 51 3.818 -10.635 -6.354 1.00 0.32 C ATOM 776 NE ARG A 51 5.031 -11.432 -6.507 1.00 53.25 N ATOM 777 CZ ARG A 51 5.048 -12.731 -6.604 1.00 73.30 C ATOM 778 NH1 ARG A 51 3.945 -13.410 -6.615 1.00 13.11 N ATOM 779 NH2 ARG A 51 6.176 -13.357 -6.680 1.00 4.33 N ATOM 0 H ARG A 51 5.100 -9.568 -2.335 1.00 64.53 H new ATOM 0 HA ARG A 51 5.789 -7.171 -3.900 1.00 73.03 H new ATOM 0 HB2 ARG A 51 4.501 -7.919 -5.822 1.00 64.21 H new ATOM 0 HB3 ARG A 51 5.798 -9.057 -5.517 1.00 64.21 H new ATOM 0 HG2 ARG A 51 4.082 -10.468 -4.230 1.00 73.33 H new ATOM 0 HG3 ARG A 51 2.851 -9.406 -4.883 1.00 73.33 H new ATOM 0 HD2 ARG A 51 2.948 -11.292 -6.350 1.00 0.32 H new ATOM 0 HD3 ARG A 51 3.709 -9.968 -7.210 1.00 0.32 H new ATOM 0 HE ARG A 51 5.924 -10.940 -6.540 1.00 53.25 H new ATOM 0 HH11 ARG A 51 3.049 -12.928 -6.547 1.00 13.11 H new ATOM 0 HH12 ARG A 51 3.973 -14.427 -6.691 1.00 13.11 H new ATOM 0 HH21 ARG A 51 7.052 -12.834 -6.664 1.00 4.33 H new ATOM 0 HH22 ARG A 51 6.191 -14.374 -6.756 1.00 4.33 H new ATOM 793 N ILE A 52 3.506 -6.204 -3.452 1.00 12.20 N ATOM 794 CA ILE A 52 2.328 -5.531 -2.876 1.00 22.55 C ATOM 795 C ILE A 52 1.428 -4.898 -3.959 1.00 2.45 C ATOM 796 O ILE A 52 1.904 -4.472 -5.013 1.00 5.51 O ATOM 797 CB ILE A 52 2.760 -4.439 -1.857 1.00 74.11 C ATOM 798 CG1 ILE A 52 1.531 -3.778 -1.200 1.00 74.33 C ATOM 799 CG2 ILE A 52 3.648 -3.389 -2.528 1.00 55.43 C ATOM 800 CD1 ILE A 52 1.870 -2.750 -0.136 1.00 32.51 C ATOM 0 H ILE A 52 4.054 -5.620 -4.084 1.00 12.20 H new ATOM 0 HA ILE A 52 1.749 -6.299 -2.364 1.00 22.55 H new ATOM 0 HB ILE A 52 3.341 -4.924 -1.072 1.00 74.11 H new ATOM 0 HG12 ILE A 52 0.933 -3.298 -1.975 1.00 74.33 H new ATOM 0 HG13 ILE A 52 0.910 -4.555 -0.754 1.00 74.33 H new ATOM 0 HG21 ILE A 52 3.938 -2.636 -1.795 1.00 55.43 H new ATOM 0 HG22 ILE A 52 4.541 -3.869 -2.927 1.00 55.43 H new ATOM 0 HG23 ILE A 52 3.098 -2.913 -3.340 1.00 55.43 H new ATOM 0 HD11 ILE A 52 0.950 -2.334 0.274 1.00 32.51 H new ATOM 0 HD12 ILE A 52 2.440 -3.226 0.661 1.00 32.51 H new ATOM 0 HD13 ILE A 52 2.464 -1.950 -0.579 1.00 32.51 H new ATOM 812 N ARG A 53 0.117 -4.865 -3.692 1.00 54.54 N ATOM 813 CA ARG A 53 -0.858 -4.224 -4.587 1.00 40.14 C ATOM 814 C ARG A 53 -2.162 -3.882 -3.846 1.00 12.15 C ATOM 815 O ARG A 53 -2.379 -4.323 -2.716 1.00 60.22 O ATOM 816 CB ARG A 53 -1.152 -5.128 -5.799 1.00 33.34 C ATOM 817 CG ARG A 53 -1.706 -6.517 -5.452 1.00 5.05 C ATOM 818 CD ARG A 53 -3.215 -6.519 -5.216 1.00 44.32 C ATOM 819 NE ARG A 53 -3.725 -7.869 -4.965 1.00 11.54 N ATOM 820 CZ ARG A 53 -4.771 -8.384 -5.557 1.00 61.23 C ATOM 821 NH1 ARG A 53 -5.438 -7.698 -6.428 1.00 64.03 N ATOM 822 NH2 ARG A 53 -5.140 -9.589 -5.271 1.00 74.20 N ATOM 0 H ARG A 53 -0.297 -5.278 -2.856 1.00 54.54 H new ATOM 0 HA ARG A 53 -0.420 -3.291 -4.941 1.00 40.14 H new ATOM 0 HB2 ARG A 53 -1.866 -4.620 -6.448 1.00 33.34 H new ATOM 0 HB3 ARG A 53 -0.233 -5.252 -6.372 1.00 33.34 H new ATOM 0 HG2 ARG A 53 -1.470 -7.208 -6.261 1.00 5.05 H new ATOM 0 HG3 ARG A 53 -1.204 -6.889 -4.559 1.00 5.05 H new ATOM 0 HD2 ARG A 53 -3.451 -5.878 -4.367 1.00 44.32 H new ATOM 0 HD3 ARG A 53 -3.719 -6.096 -6.085 1.00 44.32 H new ATOM 0 HE ARG A 53 -3.232 -8.445 -4.283 1.00 11.54 H new ATOM 0 HH11 ARG A 53 -5.149 -6.747 -6.658 1.00 64.03 H new ATOM 0 HH12 ARG A 53 -6.253 -8.108 -6.885 1.00 64.03 H new ATOM 0 HH21 ARG A 53 -4.616 -10.134 -4.586 1.00 74.20 H new ATOM 0 HH22 ARG A 53 -5.955 -9.995 -5.730 1.00 74.20 H new ATOM 836 N ILE A 54 -3.025 -3.098 -4.490 1.00 51.43 N ATOM 837 CA ILE A 54 -4.346 -2.780 -3.937 1.00 53.04 C ATOM 838 C ILE A 54 -5.411 -3.762 -4.456 1.00 64.11 C ATOM 839 O ILE A 54 -5.506 -4.016 -5.658 1.00 33.14 O ATOM 840 CB ILE A 54 -4.778 -1.331 -4.293 1.00 1.40 C ATOM 841 CG1 ILE A 54 -3.691 -0.326 -3.867 1.00 33.23 C ATOM 842 CG2 ILE A 54 -6.119 -0.991 -3.638 1.00 52.13 C ATOM 843 CD1 ILE A 54 -4.058 1.127 -4.111 1.00 50.21 C ATOM 0 H ILE A 54 -2.836 -2.670 -5.396 1.00 51.43 H new ATOM 0 HA ILE A 54 -4.266 -2.869 -2.854 1.00 53.04 H new ATOM 0 HB ILE A 54 -4.903 -1.264 -5.374 1.00 1.40 H new ATOM 0 HG12 ILE A 54 -3.481 -0.463 -2.806 1.00 33.23 H new ATOM 0 HG13 ILE A 54 -2.771 -0.552 -4.406 1.00 33.23 H new ATOM 0 HG21 ILE A 54 -6.404 0.028 -3.900 1.00 52.13 H new ATOM 0 HG22 ILE A 54 -6.883 -1.683 -3.992 1.00 52.13 H new ATOM 0 HG23 ILE A 54 -6.027 -1.075 -2.555 1.00 52.13 H new ATOM 0 HD11 ILE A 54 -3.240 1.769 -3.784 1.00 50.21 H new ATOM 0 HD12 ILE A 54 -4.239 1.283 -5.175 1.00 50.21 H new ATOM 0 HD13 ILE A 54 -4.959 1.374 -3.550 1.00 50.21 H new ATOM 855 N LYS A 55 -6.196 -4.324 -3.539 1.00 1.23 N ATOM 856 CA LYS A 55 -7.273 -5.257 -3.895 1.00 35.02 C ATOM 857 C LYS A 55 -8.535 -4.515 -4.358 1.00 53.31 C ATOM 858 O LYS A 55 -9.127 -4.857 -5.383 1.00 33.51 O ATOM 859 CB LYS A 55 -7.615 -6.158 -2.697 1.00 22.13 C ATOM 860 CG LYS A 55 -6.464 -7.048 -2.244 1.00 44.33 C ATOM 861 CD LYS A 55 -6.800 -7.822 -0.969 1.00 1.31 C ATOM 862 CE LYS A 55 -7.930 -8.830 -1.173 1.00 34.42 C ATOM 863 NZ LYS A 55 -7.581 -9.868 -2.182 1.00 3.04 N ATOM 0 H LYS A 55 -6.109 -4.151 -2.538 1.00 1.23 H new ATOM 0 HA LYS A 55 -6.915 -5.869 -4.723 1.00 35.02 H new ATOM 0 HB2 LYS A 55 -7.927 -5.532 -1.861 1.00 22.13 H new ATOM 0 HB3 LYS A 55 -8.466 -6.787 -2.959 1.00 22.13 H new ATOM 0 HG2 LYS A 55 -6.216 -7.751 -3.039 1.00 44.33 H new ATOM 0 HG3 LYS A 55 -5.579 -6.435 -2.073 1.00 44.33 H new ATOM 0 HD2 LYS A 55 -5.910 -8.346 -0.621 1.00 1.31 H new ATOM 0 HD3 LYS A 55 -7.083 -7.119 -0.186 1.00 1.31 H new ATOM 0 HE2 LYS A 55 -8.161 -9.312 -0.223 1.00 34.42 H new ATOM 0 HE3 LYS A 55 -8.831 -8.305 -1.491 1.00 34.42 H new ATOM 0 HZ1 LYS A 55 -8.217 -10.684 -2.075 1.00 3.04 H new ATOM 0 HZ2 LYS A 55 -7.684 -9.471 -3.138 1.00 3.04 H new ATOM 0 HZ3 LYS A 55 -6.598 -10.175 -2.038 1.00 3.04 H new ATOM 877 N GLU A 56 -8.943 -3.503 -3.589 1.00 42.04 N ATOM 878 CA GLU A 56 -10.149 -2.725 -3.900 1.00 25.35 C ATOM 879 C GLU A 56 -10.290 -1.501 -2.982 1.00 53.23 C ATOM 880 O GLU A 56 -9.928 -1.544 -1.804 1.00 65.12 O ATOM 881 CB GLU A 56 -11.402 -3.612 -3.790 1.00 2.41 C ATOM 882 CG GLU A 56 -12.720 -2.843 -3.896 1.00 51.13 C ATOM 883 CD GLU A 56 -13.924 -3.756 -4.059 1.00 32.13 C ATOM 884 OE1 GLU A 56 -14.460 -4.232 -3.038 1.00 30.24 O ATOM 885 OE2 GLU A 56 -14.334 -4.004 -5.215 1.00 33.00 O ATOM 0 H GLU A 56 -8.457 -3.201 -2.745 1.00 42.04 H new ATOM 0 HA GLU A 56 -10.051 -2.365 -4.924 1.00 25.35 H new ATOM 0 HB2 GLU A 56 -11.370 -4.367 -4.575 1.00 2.41 H new ATOM 0 HB3 GLU A 56 -11.378 -4.141 -2.837 1.00 2.41 H new ATOM 0 HG2 GLU A 56 -12.852 -2.232 -3.003 1.00 51.13 H new ATOM 0 HG3 GLU A 56 -12.670 -2.161 -4.745 1.00 51.13 H new ATOM 892 N ASP A 57 -10.811 -0.406 -3.535 1.00 71.33 N ATOM 893 CA ASP A 57 -11.078 0.811 -2.763 1.00 41.43 C ATOM 894 C ASP A 57 -12.382 1.475 -3.232 1.00 71.40 C ATOM 895 O ASP A 57 -13.080 0.951 -4.102 1.00 43.34 O ATOM 896 CB ASP A 57 -9.906 1.793 -2.903 1.00 70.04 C ATOM 897 CG ASP A 57 -9.906 2.548 -4.225 1.00 4.42 C ATOM 898 OD1 ASP A 57 -9.874 1.897 -5.287 1.00 70.32 O ATOM 899 OD2 ASP A 57 -9.941 3.797 -4.192 1.00 44.42 O ATOM 0 H ASP A 57 -11.059 -0.335 -4.522 1.00 71.33 H new ATOM 0 HA ASP A 57 -11.188 0.537 -1.714 1.00 41.43 H new ATOM 0 HB2 ASP A 57 -9.943 2.510 -2.083 1.00 70.04 H new ATOM 0 HB3 ASP A 57 -8.969 1.245 -2.806 1.00 70.04 H new ATOM 904 N ASN A 58 -12.711 2.622 -2.647 1.00 74.42 N ATOM 905 CA ASN A 58 -13.861 3.415 -3.100 1.00 41.22 C ATOM 906 C ASN A 58 -13.413 4.784 -3.628 1.00 51.24 C ATOM 907 O ASN A 58 -13.380 5.777 -2.897 1.00 33.13 O ATOM 908 CB ASN A 58 -14.900 3.586 -1.982 1.00 14.14 C ATOM 909 CG ASN A 58 -15.681 2.314 -1.705 1.00 5.51 C ATOM 910 OD1 ASN A 58 -15.839 1.460 -2.573 1.00 54.55 O ATOM 911 ND2 ASN A 58 -16.196 2.186 -0.500 1.00 12.44 N ATOM 0 H ASN A 58 -12.203 3.027 -1.861 1.00 74.42 H new ATOM 0 HA ASN A 58 -14.331 2.868 -3.917 1.00 41.22 H new ATOM 0 HB2 ASN A 58 -14.396 3.903 -1.069 1.00 14.14 H new ATOM 0 HB3 ASN A 58 -15.594 4.381 -2.256 1.00 14.14 H new ATOM 0 HD21 ASN A 58 -16.745 1.359 -0.265 1.00 12.44 H new ATOM 0 HD22 ASN A 58 -16.046 2.914 0.199 1.00 12.44 H new ATOM 918 N SER A 59 -13.008 4.809 -4.893 1.00 1.33 N ATOM 919 CA SER A 59 -12.651 6.057 -5.591 1.00 51.11 C ATOM 920 C SER A 59 -13.352 6.156 -6.955 1.00 44.44 C ATOM 921 O SER A 59 -13.690 5.139 -7.557 1.00 62.05 O ATOM 922 CB SER A 59 -11.129 6.130 -5.791 1.00 70.31 C ATOM 923 OG SER A 59 -10.760 7.188 -6.671 1.00 21.10 O ATOM 0 H SER A 59 -12.915 3.972 -5.469 1.00 1.33 H new ATOM 0 HA SER A 59 -12.983 6.891 -4.973 1.00 51.11 H new ATOM 0 HB2 SER A 59 -10.642 6.274 -4.826 1.00 70.31 H new ATOM 0 HB3 SER A 59 -10.769 5.182 -6.192 1.00 70.31 H new ATOM 0 HG SER A 59 -9.785 7.204 -6.772 1.00 21.10 H new ATOM 929 N PRO A 60 -13.602 7.383 -7.459 1.00 43.42 N ATOM 930 CA PRO A 60 -14.102 7.573 -8.832 1.00 62.12 C ATOM 931 C PRO A 60 -13.005 7.325 -9.887 1.00 51.14 C ATOM 932 O PRO A 60 -13.288 7.183 -11.080 1.00 53.11 O ATOM 933 CB PRO A 60 -14.562 9.037 -8.840 1.00 64.51 C ATOM 934 CG PRO A 60 -13.719 9.703 -7.804 1.00 54.31 C ATOM 935 CD PRO A 60 -13.459 8.668 -6.738 1.00 1.31 C ATOM 0 HA PRO A 60 -14.896 6.871 -9.088 1.00 62.12 H new ATOM 0 HB2 PRO A 60 -14.419 9.492 -9.820 1.00 64.51 H new ATOM 0 HB3 PRO A 60 -15.622 9.121 -8.602 1.00 64.51 H new ATOM 0 HG2 PRO A 60 -12.784 10.060 -8.235 1.00 54.31 H new ATOM 0 HG3 PRO A 60 -14.230 10.571 -7.387 1.00 54.31 H new ATOM 0 HD2 PRO A 60 -12.464 8.777 -6.307 1.00 1.31 H new ATOM 0 HD3 PRO A 60 -14.172 8.749 -5.918 1.00 1.31 H new ATOM 943 N ASP A 61 -11.750 7.271 -9.430 1.00 52.22 N ATOM 944 CA ASP A 61 -10.598 7.013 -10.305 1.00 61.20 C ATOM 945 C ASP A 61 -10.102 5.559 -10.172 1.00 31.11 C ATOM 946 O ASP A 61 -9.910 4.865 -11.175 1.00 5.42 O ATOM 947 CB ASP A 61 -9.459 7.982 -9.962 1.00 33.34 C ATOM 948 CG ASP A 61 -9.871 9.436 -10.115 1.00 62.35 C ATOM 949 OD1 ASP A 61 -10.405 10.014 -9.149 1.00 55.22 O ATOM 950 OD2 ASP A 61 -9.663 10.006 -11.207 1.00 45.52 O ATOM 0 H ASP A 61 -11.503 7.404 -8.449 1.00 52.22 H new ATOM 0 HA ASP A 61 -10.917 7.168 -11.336 1.00 61.20 H new ATOM 0 HB2 ASP A 61 -9.132 7.806 -8.937 1.00 33.34 H new ATOM 0 HB3 ASP A 61 -8.605 7.779 -10.609 1.00 33.34 H new ATOM 955 N GLN A 62 -9.875 5.119 -8.928 1.00 30.02 N ATOM 956 CA GLN A 62 -9.399 3.748 -8.634 1.00 21.11 C ATOM 957 C GLN A 62 -8.125 3.382 -9.418 1.00 14.23 C ATOM 958 O GLN A 62 -7.877 2.212 -9.716 1.00 52.10 O ATOM 959 CB GLN A 62 -10.503 2.716 -8.908 1.00 50.31 C ATOM 960 CG GLN A 62 -11.748 2.926 -8.058 1.00 54.31 C ATOM 961 CD GLN A 62 -12.539 1.652 -7.841 1.00 5.35 C ATOM 962 OE1 GLN A 62 -13.427 1.308 -8.614 1.00 63.52 O ATOM 963 NE2 GLN A 62 -12.211 0.941 -6.785 1.00 23.12 N ATOM 0 H GLN A 62 -10.013 5.694 -8.097 1.00 30.02 H new ATOM 0 HA GLN A 62 -9.144 3.729 -7.574 1.00 21.11 H new ATOM 0 HB2 GLN A 62 -10.779 2.761 -9.962 1.00 50.31 H new ATOM 0 HB3 GLN A 62 -10.110 1.716 -8.724 1.00 50.31 H new ATOM 0 HG2 GLN A 62 -11.456 3.335 -7.091 1.00 54.31 H new ATOM 0 HG3 GLN A 62 -12.388 3.667 -8.537 1.00 54.31 H new ATOM 0 HE21 GLN A 62 -11.466 1.261 -6.166 1.00 23.12 H new ATOM 0 HE22 GLN A 62 -12.701 0.069 -6.585 1.00 23.12 H new ATOM 972 N VAL A 63 -7.303 4.385 -9.720 1.00 24.41 N ATOM 973 CA VAL A 63 -6.058 4.176 -10.470 1.00 41.32 C ATOM 974 C VAL A 63 -5.122 3.185 -9.749 1.00 64.13 C ATOM 975 O VAL A 63 -4.444 2.376 -10.388 1.00 40.33 O ATOM 976 CB VAL A 63 -5.309 5.515 -10.695 1.00 34.21 C ATOM 977 CG1 VAL A 63 -4.072 5.313 -11.569 1.00 4.44 C ATOM 978 CG2 VAL A 63 -6.242 6.562 -11.303 1.00 41.43 C ATOM 0 H VAL A 63 -7.474 5.356 -9.457 1.00 24.41 H new ATOM 0 HA VAL A 63 -6.339 3.755 -11.436 1.00 41.32 H new ATOM 0 HB VAL A 63 -4.975 5.881 -9.724 1.00 34.21 H new ATOM 0 HG11 VAL A 63 -3.566 6.268 -11.710 1.00 4.44 H new ATOM 0 HG12 VAL A 63 -3.394 4.612 -11.083 1.00 4.44 H new ATOM 0 HG13 VAL A 63 -4.372 4.915 -12.538 1.00 4.44 H new ATOM 0 HG21 VAL A 63 -5.696 7.493 -11.452 1.00 41.43 H new ATOM 0 HG22 VAL A 63 -6.616 6.203 -12.262 1.00 41.43 H new ATOM 0 HG23 VAL A 63 -7.081 6.737 -10.629 1.00 41.43 H new ATOM 988 N GLY A 64 -5.113 3.240 -8.417 1.00 64.33 N ATOM 989 CA GLY A 64 -4.244 2.373 -7.619 1.00 0.14 C ATOM 990 C GLY A 64 -4.457 0.882 -7.884 1.00 51.32 C ATOM 991 O GLY A 64 -3.494 0.129 -8.036 1.00 65.43 O ATOM 0 H GLY A 64 -5.695 3.873 -7.869 1.00 64.33 H new ATOM 0 HA2 GLY A 64 -3.204 2.625 -7.826 1.00 0.14 H new ATOM 0 HA3 GLY A 64 -4.416 2.574 -6.562 1.00 0.14 H new ATOM 995 N VAL A 65 -5.720 0.454 -7.940 1.00 5.33 N ATOM 996 CA VAL A 65 -6.056 -0.951 -8.222 1.00 30.30 C ATOM 997 C VAL A 65 -5.569 -1.364 -9.624 1.00 40.42 C ATOM 998 O VAL A 65 -5.051 -2.467 -9.825 1.00 13.42 O ATOM 999 CB VAL A 65 -7.587 -1.201 -8.112 1.00 1.31 C ATOM 1000 CG1 VAL A 65 -7.916 -2.681 -8.318 1.00 24.43 C ATOM 1001 CG2 VAL A 65 -8.122 -0.706 -6.767 1.00 52.44 C ATOM 0 H VAL A 65 -6.530 1.057 -7.794 1.00 5.33 H new ATOM 0 HA VAL A 65 -5.547 -1.559 -7.473 1.00 30.30 H new ATOM 0 HB VAL A 65 -8.079 -0.634 -8.902 1.00 1.31 H new ATOM 0 HG11 VAL A 65 -8.993 -2.829 -8.236 1.00 24.43 H new ATOM 0 HG12 VAL A 65 -7.581 -2.994 -9.307 1.00 24.43 H new ATOM 0 HG13 VAL A 65 -7.409 -3.276 -7.558 1.00 24.43 H new ATOM 0 HG21 VAL A 65 -9.195 -0.891 -6.712 1.00 52.44 H new ATOM 0 HG22 VAL A 65 -7.620 -1.237 -5.958 1.00 52.44 H new ATOM 0 HG23 VAL A 65 -7.933 0.363 -6.671 1.00 52.44 H new ATOM 1011 N LYS A 66 -5.723 -0.457 -10.585 1.00 54.00 N ATOM 1012 CA LYS A 66 -5.304 -0.699 -11.969 1.00 5.15 C ATOM 1013 C LYS A 66 -3.770 -0.751 -12.114 1.00 22.44 C ATOM 1014 O LYS A 66 -3.257 -1.396 -13.028 1.00 34.11 O ATOM 1015 CB LYS A 66 -5.904 0.366 -12.899 1.00 53.01 C ATOM 1016 CG LYS A 66 -7.412 0.218 -13.097 1.00 10.41 C ATOM 1017 CD LYS A 66 -7.973 1.274 -14.048 1.00 35.21 C ATOM 1018 CE LYS A 66 -9.411 0.966 -14.459 1.00 4.31 C ATOM 1019 NZ LYS A 66 -10.319 0.840 -13.289 1.00 5.35 N ATOM 0 H LYS A 66 -6.139 0.462 -10.431 1.00 54.00 H new ATOM 0 HA LYS A 66 -5.683 -1.679 -12.259 1.00 5.15 H new ATOM 0 HB2 LYS A 66 -5.694 1.355 -12.491 1.00 53.01 H new ATOM 0 HB3 LYS A 66 -5.410 0.310 -13.869 1.00 53.01 H new ATOM 0 HG2 LYS A 66 -7.630 -0.775 -13.490 1.00 10.41 H new ATOM 0 HG3 LYS A 66 -7.913 0.296 -12.132 1.00 10.41 H new ATOM 0 HD2 LYS A 66 -7.935 2.252 -13.568 1.00 35.21 H new ATOM 0 HD3 LYS A 66 -7.346 1.331 -14.938 1.00 35.21 H new ATOM 0 HE2 LYS A 66 -9.776 1.756 -15.115 1.00 4.31 H new ATOM 0 HE3 LYS A 66 -9.432 0.040 -15.033 1.00 4.31 H new ATOM 0 HZ1 LYS A 66 -11.301 0.749 -13.620 1.00 5.35 H new ATOM 0 HZ2 LYS A 66 -10.060 -0.003 -12.738 1.00 5.35 H new ATOM 0 HZ3 LYS A 66 -10.232 1.686 -12.690 1.00 5.35 H new ATOM 1033 N MET A 67 -3.048 -0.060 -11.225 1.00 2.51 N ATOM 1034 CA MET A 67 -1.573 -0.086 -11.233 1.00 73.12 C ATOM 1035 C MET A 67 -1.017 -1.522 -11.154 1.00 52.15 C ATOM 1036 O MET A 67 -0.016 -1.847 -11.796 1.00 74.52 O ATOM 1037 CB MET A 67 -1.020 0.750 -10.070 1.00 23.35 C ATOM 1038 CG MET A 67 -1.182 2.253 -10.254 1.00 50.25 C ATOM 1039 SD MET A 67 -0.322 2.855 -11.720 1.00 45.33 S ATOM 1040 CE MET A 67 -0.534 4.625 -11.543 1.00 11.11 C ATOM 0 H MET A 67 -3.454 0.523 -10.493 1.00 2.51 H new ATOM 0 HA MET A 67 -1.248 0.344 -12.181 1.00 73.12 H new ATOM 0 HB2 MET A 67 -1.523 0.451 -9.150 1.00 23.35 H new ATOM 0 HB3 MET A 67 0.038 0.522 -9.944 1.00 23.35 H new ATOM 0 HG2 MET A 67 -2.242 2.496 -10.331 1.00 50.25 H new ATOM 0 HG3 MET A 67 -0.800 2.769 -9.373 1.00 50.25 H new ATOM 0 HE1 MET A 67 -1.058 5.018 -12.414 1.00 11.11 H new ATOM 0 HE2 MET A 67 -1.116 4.834 -10.645 1.00 11.11 H new ATOM 0 HE3 MET A 67 0.443 5.102 -11.462 1.00 11.11 H new ATOM 1050 N GLY A 68 -1.654 -2.367 -10.349 1.00 61.11 N ATOM 1051 CA GLY A 68 -1.264 -3.774 -10.266 1.00 51.13 C ATOM 1052 C GLY A 68 -0.047 -4.036 -9.375 1.00 71.22 C ATOM 1053 O GLY A 68 0.490 -3.115 -8.753 1.00 32.34 O ATOM 0 H GLY A 68 -2.436 -2.107 -9.749 1.00 61.11 H new ATOM 0 HA2 GLY A 68 -2.108 -4.352 -9.889 1.00 51.13 H new ATOM 0 HA3 GLY A 68 -1.051 -4.140 -11.270 1.00 51.13 H new ATOM 1057 N TRP A 69 0.398 -5.299 -9.345 1.00 73.11 N ATOM 1058 CA TRP A 69 1.502 -5.746 -8.473 1.00 20.02 C ATOM 1059 C TRP A 69 2.771 -4.880 -8.617 1.00 33.24 C ATOM 1060 O TRP A 69 3.158 -4.504 -9.724 1.00 11.22 O ATOM 1061 CB TRP A 69 1.859 -7.210 -8.782 1.00 13.41 C ATOM 1062 CG TRP A 69 0.748 -8.191 -8.521 1.00 52.13 C ATOM 1063 CD1 TRP A 69 -0.103 -8.738 -9.442 1.00 72.33 C ATOM 1064 CD2 TRP A 69 0.382 -8.754 -7.256 1.00 13.04 C ATOM 1065 NE1 TRP A 69 -0.976 -9.601 -8.823 1.00 21.02 N ATOM 1066 CE2 TRP A 69 -0.700 -9.626 -7.482 1.00 41.04 C ATOM 1067 CE3 TRP A 69 0.859 -8.601 -5.954 1.00 25.24 C ATOM 1068 CZ2 TRP A 69 -1.305 -10.346 -6.453 1.00 4.45 C ATOM 1069 CZ3 TRP A 69 0.259 -9.317 -4.935 1.00 31.55 C ATOM 1070 CH2 TRP A 69 -0.813 -10.176 -5.190 1.00 2.40 C ATOM 0 H TRP A 69 0.006 -6.042 -9.923 1.00 73.11 H new ATOM 0 HA TRP A 69 1.147 -5.644 -7.448 1.00 20.02 H new ATOM 0 HB2 TRP A 69 2.155 -7.286 -9.828 1.00 13.41 H new ATOM 0 HB3 TRP A 69 2.725 -7.494 -8.184 1.00 13.41 H new ATOM 0 HD1 TRP A 69 -0.091 -8.523 -10.500 1.00 72.33 H new ATOM 0 HE1 TRP A 69 -1.710 -10.136 -9.287 1.00 21.02 H new ATOM 0 HE3 TRP A 69 1.683 -7.935 -5.746 1.00 25.24 H new ATOM 0 HZ2 TRP A 69 -2.132 -11.013 -6.647 1.00 4.45 H new ATOM 0 HZ3 TRP A 69 0.625 -9.211 -3.925 1.00 31.55 H new ATOM 0 HH2 TRP A 69 -1.262 -10.717 -4.371 1.00 2.40 H new ATOM 1081 N LYS A 70 3.410 -4.569 -7.485 1.00 20.03 N ATOM 1082 CA LYS A 70 4.676 -3.819 -7.467 1.00 71.44 C ATOM 1083 C LYS A 70 5.675 -4.459 -6.486 1.00 62.20 C ATOM 1084 O LYS A 70 5.272 -5.038 -5.472 1.00 55.51 O ATOM 1085 CB LYS A 70 4.419 -2.350 -7.089 1.00 62.01 C ATOM 1086 CG LYS A 70 3.575 -1.600 -8.117 1.00 65.25 C ATOM 1087 CD LYS A 70 4.297 -1.476 -9.460 1.00 72.11 C ATOM 1088 CE LYS A 70 3.338 -1.123 -10.590 1.00 24.44 C ATOM 1089 NZ LYS A 70 2.349 -2.211 -10.832 1.00 61.12 N ATOM 0 H LYS A 70 3.069 -4.827 -6.559 1.00 20.03 H new ATOM 0 HA LYS A 70 5.110 -3.853 -8.466 1.00 71.44 H new ATOM 0 HB2 LYS A 70 3.918 -2.313 -6.122 1.00 62.01 H new ATOM 0 HB3 LYS A 70 5.375 -1.840 -6.972 1.00 62.01 H new ATOM 0 HG2 LYS A 70 2.628 -2.120 -8.260 1.00 65.25 H new ATOM 0 HG3 LYS A 70 3.338 -0.606 -7.738 1.00 65.25 H new ATOM 0 HD2 LYS A 70 5.070 -0.711 -9.387 1.00 72.11 H new ATOM 0 HD3 LYS A 70 4.799 -2.416 -9.690 1.00 72.11 H new ATOM 0 HE2 LYS A 70 2.812 -0.200 -10.346 1.00 24.44 H new ATOM 0 HE3 LYS A 70 3.904 -0.936 -11.503 1.00 24.44 H new ATOM 0 HZ1 LYS A 70 2.456 -2.568 -11.803 1.00 61.12 H new ATOM 0 HZ2 LYS A 70 2.513 -2.986 -10.158 1.00 61.12 H new ATOM 0 HZ3 LYS A 70 1.386 -1.840 -10.704 1.00 61.12 H new ATOM 1103 N SER A 71 6.973 -4.360 -6.793 1.00 43.32 N ATOM 1104 CA SER A 71 8.018 -5.002 -5.966 1.00 10.11 C ATOM 1105 C SER A 71 9.439 -4.575 -6.365 1.00 71.10 C ATOM 1106 O SER A 71 10.410 -5.252 -6.026 1.00 2.31 O ATOM 1107 CB SER A 71 7.915 -6.530 -6.071 1.00 62.42 C ATOM 1108 OG SER A 71 8.132 -6.968 -7.406 1.00 34.42 O ATOM 0 H SER A 71 7.330 -3.848 -7.600 1.00 43.32 H new ATOM 0 HA SER A 71 7.843 -4.675 -4.941 1.00 10.11 H new ATOM 0 HB2 SER A 71 8.647 -6.993 -5.410 1.00 62.42 H new ATOM 0 HB3 SER A 71 6.931 -6.855 -5.734 1.00 62.42 H new ATOM 0 HG SER A 71 8.063 -7.945 -7.445 1.00 34.42 H new ATOM 1114 N LYS A 72 9.571 -3.458 -7.074 1.00 44.42 N ATOM 1115 CA LYS A 72 10.886 -2.977 -7.520 1.00 2.23 C ATOM 1116 C LYS A 72 11.378 -1.836 -6.618 1.00 53.42 C ATOM 1117 O LYS A 72 10.579 -1.034 -6.129 1.00 42.40 O ATOM 1118 CB LYS A 72 10.816 -2.467 -8.968 1.00 72.12 C ATOM 1119 CG LYS A 72 9.913 -3.283 -9.889 1.00 42.12 C ATOM 1120 CD LYS A 72 10.433 -4.689 -10.152 1.00 72.41 C ATOM 1121 CE LYS A 72 9.476 -5.460 -11.058 1.00 33.51 C ATOM 1122 NZ LYS A 72 9.175 -4.718 -12.316 1.00 34.25 N ATOM 0 H LYS A 72 8.789 -2.866 -7.354 1.00 44.42 H new ATOM 0 HA LYS A 72 11.581 -3.815 -7.463 1.00 2.23 H new ATOM 0 HB2 LYS A 72 10.465 -1.435 -8.959 1.00 72.12 H new ATOM 0 HB3 LYS A 72 11.823 -2.457 -9.384 1.00 72.12 H new ATOM 0 HG2 LYS A 72 8.919 -3.348 -9.447 1.00 42.12 H new ATOM 0 HG3 LYS A 72 9.806 -2.759 -10.839 1.00 42.12 H new ATOM 0 HD2 LYS A 72 11.418 -4.637 -10.616 1.00 72.41 H new ATOM 0 HD3 LYS A 72 10.554 -5.220 -9.208 1.00 72.41 H new ATOM 0 HE2 LYS A 72 9.911 -6.428 -11.304 1.00 33.51 H new ATOM 0 HE3 LYS A 72 8.547 -5.655 -10.522 1.00 33.51 H new ATOM 0 HZ1 LYS A 72 8.739 -5.364 -13.005 1.00 34.25 H new ATOM 0 HZ2 LYS A 72 8.519 -3.938 -12.110 1.00 34.25 H new ATOM 0 HZ3 LYS A 72 10.057 -4.334 -12.712 1.00 34.25 H new ATOM 1136 N ALA A 73 12.691 -1.752 -6.414 1.00 2.11 N ATOM 1137 CA ALA A 73 13.278 -0.649 -5.647 1.00 1.35 C ATOM 1138 C ALA A 73 13.031 0.702 -6.344 1.00 65.15 C ATOM 1139 O ALA A 73 13.830 1.147 -7.173 1.00 60.24 O ATOM 1140 CB ALA A 73 14.772 -0.880 -5.432 1.00 14.04 C ATOM 0 H ALA A 73 13.368 -2.429 -6.766 1.00 2.11 H new ATOM 0 HA ALA A 73 12.791 -0.618 -4.673 1.00 1.35 H new ATOM 0 HB1 ALA A 73 15.190 -0.051 -4.861 1.00 14.04 H new ATOM 0 HB2 ALA A 73 14.921 -1.810 -4.884 1.00 14.04 H new ATOM 0 HB3 ALA A 73 15.273 -0.944 -6.398 1.00 14.04 H new ATOM 1146 N GLY A 74 11.902 1.336 -6.026 1.00 63.55 N ATOM 1147 CA GLY A 74 11.543 2.602 -6.656 1.00 65.01 C ATOM 1148 C GLY A 74 10.048 2.739 -6.951 1.00 42.51 C ATOM 1149 O GLY A 74 9.554 3.854 -7.142 1.00 44.25 O ATOM 0 H GLY A 74 11.227 0.995 -5.341 1.00 63.55 H new ATOM 0 HA2 GLY A 74 11.853 3.421 -6.007 1.00 65.01 H new ATOM 0 HA3 GLY A 74 12.099 2.705 -7.588 1.00 65.01 H new ATOM 1153 N ASP A 75 9.321 1.619 -6.994 1.00 72.15 N ATOM 1154 CA ASP A 75 7.880 1.641 -7.301 1.00 42.04 C ATOM 1155 C ASP A 75 7.092 2.536 -6.327 1.00 11.44 C ATOM 1156 O ASP A 75 7.348 2.542 -5.124 1.00 11.32 O ATOM 1157 CB ASP A 75 7.294 0.225 -7.268 1.00 43.51 C ATOM 1158 CG ASP A 75 7.759 -0.654 -8.416 1.00 43.14 C ATOM 1159 OD1 ASP A 75 8.311 -0.123 -9.406 1.00 24.51 O ATOM 1160 OD2 ASP A 75 7.561 -1.885 -8.333 1.00 64.34 O ATOM 0 H ASP A 75 9.700 0.688 -6.822 1.00 72.15 H new ATOM 0 HA ASP A 75 7.782 2.057 -8.304 1.00 42.04 H new ATOM 0 HB2 ASP A 75 7.566 -0.250 -6.325 1.00 43.51 H new ATOM 0 HB3 ASP A 75 6.206 0.291 -7.290 1.00 43.51 H new ATOM 1165 N THR A 76 6.127 3.287 -6.861 1.00 11.02 N ATOM 1166 CA THR A 76 5.268 4.157 -6.042 1.00 4.34 C ATOM 1167 C THR A 76 3.806 4.098 -6.502 1.00 61.22 C ATOM 1168 O THR A 76 3.522 3.964 -7.691 1.00 14.32 O ATOM 1169 CB THR A 76 5.737 5.637 -6.063 1.00 54.10 C ATOM 1170 OG1 THR A 76 5.836 6.117 -7.416 1.00 3.45 O ATOM 1171 CG2 THR A 76 7.083 5.805 -5.364 1.00 73.53 C ATOM 0 H THR A 76 5.917 3.313 -7.859 1.00 11.02 H new ATOM 0 HA THR A 76 5.347 3.778 -5.023 1.00 4.34 H new ATOM 0 HB THR A 76 4.992 6.222 -5.525 1.00 54.10 H new ATOM 0 HG1 THR A 76 6.131 7.052 -7.411 1.00 3.45 H new ATOM 0 HG21 THR A 76 7.382 6.853 -5.397 1.00 73.53 H new ATOM 0 HG22 THR A 76 6.996 5.485 -4.326 1.00 73.53 H new ATOM 0 HG23 THR A 76 7.834 5.198 -5.869 1.00 73.53 H new ATOM 1179 N ILE A 77 2.882 4.190 -5.546 1.00 44.31 N ATOM 1180 CA ILE A 77 1.440 4.188 -5.835 1.00 63.41 C ATOM 1181 C ILE A 77 0.781 5.459 -5.273 1.00 62.52 C ATOM 1182 O ILE A 77 0.951 5.781 -4.095 1.00 65.24 O ATOM 1183 CB ILE A 77 0.739 2.940 -5.226 1.00 75.23 C ATOM 1184 CG1 ILE A 77 1.388 1.642 -5.742 1.00 22.31 C ATOM 1185 CG2 ILE A 77 -0.761 2.949 -5.534 1.00 31.33 C ATOM 1186 CD1 ILE A 77 1.277 1.444 -7.242 1.00 0.31 C ATOM 0 H ILE A 77 3.105 4.268 -4.554 1.00 44.31 H new ATOM 0 HA ILE A 77 1.325 4.159 -6.919 1.00 63.41 H new ATOM 0 HB ILE A 77 0.864 2.980 -4.144 1.00 75.23 H new ATOM 0 HG12 ILE A 77 2.442 1.641 -5.464 1.00 22.31 H new ATOM 0 HG13 ILE A 77 0.925 0.793 -5.240 1.00 22.31 H new ATOM 0 HG21 ILE A 77 -1.227 2.066 -5.097 1.00 31.33 H new ATOM 0 HG22 ILE A 77 -1.214 3.846 -5.111 1.00 31.33 H new ATOM 0 HG23 ILE A 77 -0.911 2.942 -6.614 1.00 31.33 H new ATOM 0 HD11 ILE A 77 1.759 0.507 -7.522 1.00 0.31 H new ATOM 0 HD12 ILE A 77 0.226 1.411 -7.528 1.00 0.31 H new ATOM 0 HD13 ILE A 77 1.766 2.272 -7.755 1.00 0.31 H new ATOM 1198 N VAL A 78 0.034 6.180 -6.112 1.00 30.41 N ATOM 1199 CA VAL A 78 -0.602 7.439 -5.697 1.00 75.22 C ATOM 1200 C VAL A 78 -2.135 7.316 -5.634 1.00 63.13 C ATOM 1201 O VAL A 78 -2.795 7.078 -6.647 1.00 5.23 O ATOM 1202 CB VAL A 78 -0.233 8.596 -6.662 1.00 23.53 C ATOM 1203 CG1 VAL A 78 -0.847 9.917 -6.194 1.00 72.34 C ATOM 1204 CG2 VAL A 78 1.284 8.719 -6.803 1.00 33.33 C ATOM 0 H VAL A 78 -0.147 5.917 -7.081 1.00 30.41 H new ATOM 0 HA VAL A 78 -0.225 7.659 -4.698 1.00 75.22 H new ATOM 0 HB VAL A 78 -0.648 8.364 -7.643 1.00 23.53 H new ATOM 0 HG11 VAL A 78 -0.573 10.712 -6.888 1.00 72.34 H new ATOM 0 HG12 VAL A 78 -1.932 9.822 -6.161 1.00 72.34 H new ATOM 0 HG13 VAL A 78 -0.474 10.159 -5.199 1.00 72.34 H new ATOM 0 HG21 VAL A 78 1.521 9.536 -7.484 1.00 33.33 H new ATOM 0 HG22 VAL A 78 1.725 8.921 -5.827 1.00 33.33 H new ATOM 0 HG23 VAL A 78 1.689 7.788 -7.199 1.00 33.33 H new ATOM 1214 N CYS A 79 -2.693 7.489 -4.437 1.00 43.42 N ATOM 1215 CA CYS A 79 -4.152 7.518 -4.246 1.00 3.55 C ATOM 1216 C CYS A 79 -4.600 8.914 -3.789 1.00 73.04 C ATOM 1217 O CYS A 79 -4.901 9.134 -2.613 1.00 65.22 O ATOM 1218 CB CYS A 79 -4.594 6.453 -3.228 1.00 64.54 C ATOM 1219 SG CYS A 79 -4.271 4.747 -3.737 1.00 61.30 S ATOM 0 H CYS A 79 -2.158 7.612 -3.577 1.00 43.42 H new ATOM 0 HA CYS A 79 -4.626 7.291 -5.201 1.00 3.55 H new ATOM 0 HB2 CYS A 79 -4.085 6.639 -2.283 1.00 64.54 H new ATOM 0 HB3 CYS A 79 -5.662 6.567 -3.043 1.00 64.54 H new ATOM 0 HG CYS A 79 -4.679 3.933 -2.809 1.00 61.30 H new ATOM 1225 N LEU A 80 -4.641 9.849 -4.740 1.00 60.23 N ATOM 1226 CA LEU A 80 -4.903 11.271 -4.455 1.00 70.12 C ATOM 1227 C LEU A 80 -6.222 11.489 -3.666 1.00 41.51 C ATOM 1228 O LEU A 80 -6.199 12.106 -2.600 1.00 21.02 O ATOM 1229 CB LEU A 80 -4.892 12.068 -5.779 1.00 3.01 C ATOM 1230 CG LEU A 80 -4.662 13.592 -5.666 1.00 10.22 C ATOM 1231 CD1 LEU A 80 -4.344 14.183 -7.038 1.00 65.25 C ATOM 1232 CD2 LEU A 80 -5.870 14.302 -5.056 1.00 24.33 C ATOM 0 H LEU A 80 -4.495 9.648 -5.729 1.00 60.23 H new ATOM 0 HA LEU A 80 -4.108 11.640 -3.807 1.00 70.12 H new ATOM 0 HB2 LEU A 80 -4.115 11.653 -6.421 1.00 3.01 H new ATOM 0 HB3 LEU A 80 -5.844 11.903 -6.284 1.00 3.01 H new ATOM 0 HG LEU A 80 -3.813 13.748 -5.001 1.00 10.22 H new ATOM 0 HD11 LEU A 80 -4.184 15.257 -6.943 1.00 65.25 H new ATOM 0 HD12 LEU A 80 -3.443 13.716 -7.435 1.00 65.25 H new ATOM 0 HD13 LEU A 80 -5.177 13.998 -7.716 1.00 65.25 H new ATOM 0 HD21 LEU A 80 -5.670 15.372 -4.993 1.00 24.33 H new ATOM 0 HD22 LEU A 80 -6.746 14.133 -5.682 1.00 24.33 H new ATOM 0 HD23 LEU A 80 -6.057 13.909 -4.057 1.00 24.33 H new ATOM 1244 N PRO A 81 -7.384 10.977 -4.148 1.00 53.11 N ATOM 1245 CA PRO A 81 -8.685 11.193 -3.467 1.00 25.44 C ATOM 1246 C PRO A 81 -8.716 10.648 -2.024 1.00 1.52 C ATOM 1247 O PRO A 81 -9.520 11.080 -1.199 1.00 64.14 O ATOM 1248 CB PRO A 81 -9.688 10.431 -4.351 1.00 63.44 C ATOM 1249 CG PRO A 81 -8.858 9.468 -5.135 1.00 73.11 C ATOM 1250 CD PRO A 81 -7.543 10.155 -5.364 1.00 44.44 C ATOM 0 HA PRO A 81 -8.904 12.256 -3.362 1.00 25.44 H new ATOM 0 HB2 PRO A 81 -10.431 9.911 -3.747 1.00 63.44 H new ATOM 0 HB3 PRO A 81 -10.231 11.111 -5.008 1.00 63.44 H new ATOM 0 HG2 PRO A 81 -8.722 8.534 -4.589 1.00 73.11 H new ATOM 0 HG3 PRO A 81 -9.338 9.217 -6.081 1.00 73.11 H new ATOM 0 HD2 PRO A 81 -6.728 9.440 -5.478 1.00 44.44 H new ATOM 0 HD3 PRO A 81 -7.558 10.767 -6.266 1.00 44.44 H new ATOM 1258 N HIS A 82 -7.836 9.692 -1.731 1.00 21.52 N ATOM 1259 CA HIS A 82 -7.773 9.078 -0.399 1.00 73.12 C ATOM 1260 C HIS A 82 -6.568 9.600 0.403 1.00 64.23 C ATOM 1261 O HIS A 82 -6.379 9.223 1.563 1.00 61.30 O ATOM 1262 CB HIS A 82 -7.701 7.548 -0.525 1.00 51.01 C ATOM 1263 CG HIS A 82 -8.933 6.913 -1.112 1.00 31.54 C ATOM 1264 ND1 HIS A 82 -9.329 5.630 -0.809 1.00 64.12 N ATOM 1265 CD2 HIS A 82 -9.850 7.378 -2.001 1.00 13.03 C ATOM 1266 CE1 HIS A 82 -10.418 5.329 -1.481 1.00 21.22 C ATOM 1267 NE2 HIS A 82 -10.759 6.371 -2.209 1.00 74.44 N ATOM 0 H HIS A 82 -7.156 9.324 -2.396 1.00 21.52 H new ATOM 0 HA HIS A 82 -8.680 9.352 0.140 1.00 73.12 H new ATOM 0 HB2 HIS A 82 -6.843 7.287 -1.144 1.00 51.01 H new ATOM 0 HB3 HIS A 82 -7.523 7.122 0.463 1.00 51.01 H new ATOM 0 HD1 HIS A 82 -8.849 5.006 -0.160 1.00 64.12 H new ATOM 0 HD2 HIS A 82 -9.861 8.356 -2.458 1.00 13.03 H new ATOM 0 HE1 HIS A 82 -10.944 4.386 -1.442 1.00 21.22 H new ATOM 1276 N LYS A 83 -5.763 10.467 -0.225 1.00 72.02 N ATOM 1277 CA LYS A 83 -4.565 11.049 0.409 1.00 35.04 C ATOM 1278 C LYS A 83 -3.546 9.972 0.831 1.00 52.40 C ATOM 1279 O LYS A 83 -2.774 10.166 1.773 1.00 54.21 O ATOM 1280 CB LYS A 83 -4.965 11.922 1.617 1.00 41.43 C ATOM 1281 CG LYS A 83 -5.722 13.195 1.236 1.00 33.42 C ATOM 1282 CD LYS A 83 -6.179 13.973 2.472 1.00 64.35 C ATOM 1283 CE LYS A 83 -6.902 15.266 2.104 1.00 21.40 C ATOM 1284 NZ LYS A 83 -5.988 16.259 1.474 1.00 21.41 N ATOM 0 H LYS A 83 -5.919 10.785 -1.181 1.00 72.02 H new ATOM 0 HA LYS A 83 -4.077 11.677 -0.337 1.00 35.04 H new ATOM 0 HB2 LYS A 83 -5.584 11.331 2.291 1.00 41.43 H new ATOM 0 HB3 LYS A 83 -4.066 12.197 2.168 1.00 41.43 H new ATOM 0 HG2 LYS A 83 -5.082 13.829 0.623 1.00 33.42 H new ATOM 0 HG3 LYS A 83 -6.589 12.935 0.629 1.00 33.42 H new ATOM 0 HD2 LYS A 83 -6.841 13.346 3.070 1.00 64.35 H new ATOM 0 HD3 LYS A 83 -5.314 14.206 3.093 1.00 64.35 H new ATOM 0 HE2 LYS A 83 -7.720 15.041 1.419 1.00 21.40 H new ATOM 0 HE3 LYS A 83 -7.346 15.700 3.000 1.00 21.40 H new ATOM 0 HZ1 LYS A 83 -6.427 17.202 1.503 1.00 21.41 H new ATOM 0 HZ2 LYS A 83 -5.087 16.280 1.993 1.00 21.41 H new ATOM 0 HZ3 LYS A 83 -5.811 15.990 0.485 1.00 21.41 H new ATOM 1298 N VAL A 84 -3.525 8.853 0.103 1.00 45.23 N ATOM 1299 CA VAL A 84 -2.610 7.740 0.396 1.00 43.34 C ATOM 1300 C VAL A 84 -1.464 7.668 -0.631 1.00 55.22 C ATOM 1301 O VAL A 84 -1.668 7.897 -1.825 1.00 53.21 O ATOM 1302 CB VAL A 84 -3.362 6.380 0.406 1.00 75.53 C ATOM 1303 CG1 VAL A 84 -2.421 5.234 0.777 1.00 60.14 C ATOM 1304 CG2 VAL A 84 -4.560 6.425 1.351 1.00 21.41 C ATOM 0 H VAL A 84 -4.134 8.690 -0.699 1.00 45.23 H new ATOM 0 HA VAL A 84 -2.193 7.930 1.385 1.00 43.34 H new ATOM 0 HB VAL A 84 -3.733 6.197 -0.603 1.00 75.53 H new ATOM 0 HG11 VAL A 84 -2.974 4.295 0.776 1.00 60.14 H new ATOM 0 HG12 VAL A 84 -1.611 5.179 0.050 1.00 60.14 H new ATOM 0 HG13 VAL A 84 -2.007 5.410 1.770 1.00 60.14 H new ATOM 0 HG21 VAL A 84 -5.069 5.461 1.339 1.00 21.41 H new ATOM 0 HG22 VAL A 84 -4.217 6.642 2.363 1.00 21.41 H new ATOM 0 HG23 VAL A 84 -5.250 7.204 1.027 1.00 21.41 H new ATOM 1314 N PHE A 85 -0.264 7.343 -0.158 1.00 21.44 N ATOM 1315 CA PHE A 85 0.912 7.207 -1.024 1.00 63.43 C ATOM 1316 C PHE A 85 1.818 6.057 -0.547 1.00 32.50 C ATOM 1317 O PHE A 85 2.215 6.008 0.618 1.00 32.02 O ATOM 1318 CB PHE A 85 1.707 8.523 -1.058 1.00 72.43 C ATOM 1319 CG PHE A 85 2.916 8.480 -1.967 1.00 23.33 C ATOM 1320 CD1 PHE A 85 2.789 8.732 -3.326 1.00 10.41 C ATOM 1321 CD2 PHE A 85 4.178 8.186 -1.463 1.00 73.43 C ATOM 1322 CE1 PHE A 85 3.890 8.690 -4.159 1.00 11.23 C ATOM 1323 CE2 PHE A 85 5.279 8.143 -2.295 1.00 64.44 C ATOM 1324 CZ PHE A 85 5.135 8.396 -3.642 1.00 44.44 C ATOM 0 H PHE A 85 -0.076 7.167 0.829 1.00 21.44 H new ATOM 0 HA PHE A 85 0.564 6.976 -2.031 1.00 63.43 H new ATOM 0 HB2 PHE A 85 1.047 9.327 -1.383 1.00 72.43 H new ATOM 0 HB3 PHE A 85 2.032 8.767 -0.047 1.00 72.43 H new ATOM 0 HD1 PHE A 85 1.818 8.964 -3.737 1.00 10.41 H new ATOM 0 HD2 PHE A 85 4.299 7.989 -0.408 1.00 73.43 H new ATOM 0 HE1 PHE A 85 3.776 8.887 -5.215 1.00 11.23 H new ATOM 0 HE2 PHE A 85 6.253 7.911 -1.890 1.00 64.44 H new ATOM 0 HZ PHE A 85 5.996 8.364 -4.293 1.00 44.44 H new ATOM 1334 N VAL A 86 2.138 5.135 -1.454 1.00 70.42 N ATOM 1335 CA VAL A 86 3.004 3.987 -1.138 1.00 61.14 C ATOM 1336 C VAL A 86 4.319 4.047 -1.934 1.00 73.03 C ATOM 1337 O VAL A 86 4.307 4.292 -3.141 1.00 75.04 O ATOM 1338 CB VAL A 86 2.285 2.647 -1.448 1.00 35.05 C ATOM 1339 CG1 VAL A 86 3.142 1.452 -1.030 1.00 4.25 C ATOM 1340 CG2 VAL A 86 0.912 2.598 -0.775 1.00 65.22 C ATOM 0 H VAL A 86 1.811 5.156 -2.420 1.00 70.42 H new ATOM 0 HA VAL A 86 3.229 4.038 -0.073 1.00 61.14 H new ATOM 0 HB VAL A 86 2.136 2.588 -2.526 1.00 35.05 H new ATOM 0 HG11 VAL A 86 2.613 0.527 -1.259 1.00 4.25 H new ATOM 0 HG12 VAL A 86 4.087 1.474 -1.573 1.00 4.25 H new ATOM 0 HG13 VAL A 86 3.338 1.502 0.041 1.00 4.25 H new ATOM 0 HG21 VAL A 86 0.427 1.650 -1.006 1.00 65.22 H new ATOM 0 HG22 VAL A 86 1.032 2.690 0.304 1.00 65.22 H new ATOM 0 HG23 VAL A 86 0.297 3.419 -1.143 1.00 65.22 H new ATOM 1350 N GLU A 87 5.449 3.828 -1.262 1.00 63.03 N ATOM 1351 CA GLU A 87 6.763 3.821 -1.930 1.00 40.04 C ATOM 1352 C GLU A 87 7.598 2.597 -1.517 1.00 14.41 C ATOM 1353 O GLU A 87 7.643 2.225 -0.344 1.00 0.32 O ATOM 1354 CB GLU A 87 7.531 5.119 -1.625 1.00 22.32 C ATOM 1355 CG GLU A 87 7.763 5.378 -0.140 1.00 2.45 C ATOM 1356 CD GLU A 87 8.482 6.695 0.123 1.00 62.14 C ATOM 1357 OE1 GLU A 87 7.826 7.757 0.056 1.00 11.15 O ATOM 1358 OE2 GLU A 87 9.702 6.675 0.400 1.00 54.54 O ATOM 0 H GLU A 87 5.488 3.653 -0.258 1.00 63.03 H new ATOM 0 HA GLU A 87 6.587 3.760 -3.004 1.00 40.04 H new ATOM 0 HB2 GLU A 87 8.496 5.083 -2.131 1.00 22.32 H new ATOM 0 HB3 GLU A 87 6.981 5.960 -2.047 1.00 22.32 H new ATOM 0 HG2 GLU A 87 6.804 5.383 0.378 1.00 2.45 H new ATOM 0 HG3 GLU A 87 8.348 4.560 0.280 1.00 2.45 H new ATOM 1365 N ILE A 88 8.247 1.969 -2.494 1.00 53.20 N ATOM 1366 CA ILE A 88 9.092 0.795 -2.248 1.00 74.13 C ATOM 1367 C ILE A 88 10.580 1.161 -2.359 1.00 54.21 C ATOM 1368 O ILE A 88 11.078 1.448 -3.448 1.00 60.11 O ATOM 1369 CB ILE A 88 8.764 -0.349 -3.242 1.00 72.23 C ATOM 1370 CG1 ILE A 88 7.273 -0.715 -3.156 1.00 10.32 C ATOM 1371 CG2 ILE A 88 9.639 -1.574 -2.967 1.00 61.43 C ATOM 1372 CD1 ILE A 88 6.849 -1.812 -4.114 1.00 44.14 C ATOM 0 H ILE A 88 8.205 2.254 -3.473 1.00 53.20 H new ATOM 0 HA ILE A 88 8.884 0.449 -1.235 1.00 74.13 H new ATOM 0 HB ILE A 88 8.979 -0.002 -4.253 1.00 72.23 H new ATOM 0 HG12 ILE A 88 7.045 -1.029 -2.137 1.00 10.32 H new ATOM 0 HG13 ILE A 88 6.679 0.177 -3.356 1.00 10.32 H new ATOM 0 HG21 ILE A 88 9.392 -2.364 -3.676 1.00 61.43 H new ATOM 0 HG22 ILE A 88 10.689 -1.303 -3.077 1.00 61.43 H new ATOM 0 HG23 ILE A 88 9.460 -1.928 -1.952 1.00 61.43 H new ATOM 0 HD11 ILE A 88 5.784 -2.011 -3.991 1.00 44.14 H new ATOM 0 HD12 ILE A 88 7.043 -1.495 -5.139 1.00 44.14 H new ATOM 0 HD13 ILE A 88 7.415 -2.719 -3.902 1.00 44.14 H new ATOM 1384 N LYS A 89 11.284 1.145 -1.231 1.00 11.14 N ATOM 1385 CA LYS A 89 12.681 1.596 -1.183 1.00 25.12 C ATOM 1386 C LYS A 89 13.643 0.468 -0.778 1.00 62.41 C ATOM 1387 O LYS A 89 13.226 -0.566 -0.261 1.00 21.42 O ATOM 1388 CB LYS A 89 12.802 2.766 -0.201 1.00 71.43 C ATOM 1389 CG LYS A 89 12.460 2.395 1.240 1.00 14.52 C ATOM 1390 CD LYS A 89 12.392 3.623 2.145 1.00 12.00 C ATOM 1391 CE LYS A 89 13.672 4.446 2.084 1.00 42.13 C ATOM 1392 NZ LYS A 89 13.592 5.659 2.940 1.00 72.34 N ATOM 0 H LYS A 89 10.915 0.826 -0.335 1.00 11.14 H new ATOM 0 HA LYS A 89 12.964 1.915 -2.186 1.00 25.12 H new ATOM 0 HB2 LYS A 89 13.820 3.154 -0.235 1.00 71.43 H new ATOM 0 HB3 LYS A 89 12.143 3.571 -0.526 1.00 71.43 H new ATOM 0 HG2 LYS A 89 11.503 1.874 1.263 1.00 14.52 H new ATOM 0 HG3 LYS A 89 13.209 1.703 1.624 1.00 14.52 H new ATOM 0 HD2 LYS A 89 11.547 4.245 1.850 1.00 12.00 H new ATOM 0 HD3 LYS A 89 12.212 3.307 3.173 1.00 12.00 H new ATOM 0 HE2 LYS A 89 14.514 3.832 2.403 1.00 42.13 H new ATOM 0 HE3 LYS A 89 13.865 4.741 1.053 1.00 42.13 H new ATOM 0 HZ1 LYS A 89 14.482 6.192 2.871 1.00 72.34 H new ATOM 0 HZ2 LYS A 89 12.804 6.258 2.620 1.00 72.34 H new ATOM 0 HZ3 LYS A 89 13.433 5.377 3.928 1.00 72.34 H new ATOM 1406 N SER A 90 14.935 0.686 -1.011 1.00 42.13 N ATOM 1407 CA SER A 90 15.975 -0.307 -0.690 1.00 22.43 C ATOM 1408 C SER A 90 16.438 -0.211 0.771 1.00 55.31 C ATOM 1409 O SER A 90 16.415 0.863 1.374 1.00 74.31 O ATOM 1410 CB SER A 90 17.190 -0.126 -1.611 1.00 60.12 C ATOM 1411 OG SER A 90 18.292 -0.920 -1.191 1.00 42.02 O ATOM 0 H SER A 90 15.296 1.546 -1.424 1.00 42.13 H new ATOM 0 HA SER A 90 15.530 -1.290 -0.844 1.00 22.43 H new ATOM 0 HB2 SER A 90 16.916 -0.394 -2.631 1.00 60.12 H new ATOM 0 HB3 SER A 90 17.483 0.924 -1.625 1.00 60.12 H new ATOM 0 HG SER A 90 19.047 -0.781 -1.801 1.00 42.02 H new ATOM 1417 N THR A 91 16.850 -1.345 1.337 1.00 12.34 N ATOM 1418 CA THR A 91 17.423 -1.378 2.691 1.00 23.24 C ATOM 1419 C THR A 91 18.879 -0.891 2.684 1.00 1.34 C ATOM 1420 O THR A 91 19.384 -0.373 3.684 1.00 70.42 O ATOM 1421 CB THR A 91 17.385 -2.803 3.290 1.00 74.12 C ATOM 1422 OG1 THR A 91 18.162 -3.691 2.475 1.00 2.04 O ATOM 1423 CG2 THR A 91 15.952 -3.322 3.391 1.00 52.20 C ATOM 0 H THR A 91 16.799 -2.256 0.882 1.00 12.34 H new ATOM 0 HA THR A 91 16.814 -0.714 3.304 1.00 23.24 H new ATOM 0 HB THR A 91 17.805 -2.761 4.295 1.00 74.12 H new ATOM 0 HG1 THR A 91 18.270 -4.548 2.937 1.00 2.04 H new ATOM 0 HG21 THR A 91 15.958 -4.326 3.816 1.00 52.20 H new ATOM 0 HG22 THR A 91 15.370 -2.660 4.032 1.00 52.20 H new ATOM 0 HG23 THR A 91 15.505 -3.351 2.397 1.00 52.20 H new ATOM 1431 N GLN A 92 19.555 -1.074 1.549 1.00 64.24 N ATOM 1432 CA GLN A 92 20.935 -0.606 1.375 1.00 50.40 C ATOM 1433 C GLN A 92 20.964 0.857 0.904 1.00 1.24 C ATOM 1434 O GLN A 92 19.950 1.396 0.458 1.00 41.55 O ATOM 1435 CB GLN A 92 21.681 -1.502 0.374 1.00 75.22 C ATOM 1436 CG GLN A 92 21.821 -2.952 0.824 1.00 63.12 C ATOM 1437 CD GLN A 92 22.610 -3.099 2.116 1.00 45.44 C ATOM 1438 OE1 GLN A 92 22.055 -3.085 3.211 1.00 2.32 O ATOM 1439 NE2 GLN A 92 23.914 -3.239 2.004 1.00 33.41 N ATOM 0 H GLN A 92 19.169 -1.545 0.731 1.00 64.24 H new ATOM 0 HA GLN A 92 21.437 -0.663 2.341 1.00 50.40 H new ATOM 0 HB2 GLN A 92 21.156 -1.478 -0.581 1.00 75.22 H new ATOM 0 HB3 GLN A 92 22.675 -1.088 0.202 1.00 75.22 H new ATOM 0 HG2 GLN A 92 20.829 -3.382 0.960 1.00 63.12 H new ATOM 0 HG3 GLN A 92 22.312 -3.525 0.038 1.00 63.12 H new ATOM 0 HE21 GLN A 92 24.349 -3.247 1.081 1.00 33.41 H new ATOM 0 HE22 GLN A 92 24.490 -3.339 2.840 1.00 33.41 H new ATOM 1448 N LYS A 93 22.131 1.491 0.988 1.00 3.10 N ATOM 1449 CA LYS A 93 22.259 2.917 0.659 1.00 44.14 C ATOM 1450 C LYS A 93 22.364 3.163 -0.855 1.00 52.01 C ATOM 1451 O LYS A 93 23.226 2.597 -1.534 1.00 44.44 O ATOM 1452 CB LYS A 93 23.488 3.513 1.352 1.00 30.43 C ATOM 1453 CG LYS A 93 23.460 3.396 2.871 1.00 63.45 C ATOM 1454 CD LYS A 93 24.708 4.005 3.506 1.00 1.23 C ATOM 1455 CE LYS A 93 24.702 3.854 5.022 1.00 25.13 C ATOM 1456 NZ LYS A 93 24.662 2.427 5.441 1.00 4.04 N ATOM 0 H LYS A 93 23.001 1.046 1.279 1.00 3.10 H new ATOM 0 HA LYS A 93 21.352 3.405 1.016 1.00 44.14 H new ATOM 0 HB2 LYS A 93 24.382 3.015 0.976 1.00 30.43 H new ATOM 0 HB3 LYS A 93 23.571 4.565 1.080 1.00 30.43 H new ATOM 0 HG2 LYS A 93 22.573 3.897 3.259 1.00 63.45 H new ATOM 0 HG3 LYS A 93 23.383 2.346 3.154 1.00 63.45 H new ATOM 0 HD2 LYS A 93 25.596 3.524 3.096 1.00 1.23 H new ATOM 0 HD3 LYS A 93 24.769 5.062 3.246 1.00 1.23 H new ATOM 0 HE2 LYS A 93 25.591 4.329 5.437 1.00 25.13 H new ATOM 0 HE3 LYS A 93 23.839 4.377 5.435 1.00 25.13 H new ATOM 0 HZ1 LYS A 93 24.879 2.357 6.456 1.00 4.04 H new ATOM 0 HZ2 LYS A 93 23.714 2.039 5.263 1.00 4.04 H new ATOM 0 HZ3 LYS A 93 25.365 1.886 4.898 1.00 4.04 H new ATOM 1470 N ASP A 94 21.485 4.021 -1.371 1.00 72.41 N ATOM 1471 CA ASP A 94 21.552 4.467 -2.769 1.00 21.15 C ATOM 1472 C ASP A 94 22.070 5.912 -2.848 1.00 14.51 C ATOM 1473 O ASP A 94 22.372 6.533 -1.826 1.00 2.24 O ATOM 1474 CB ASP A 94 20.167 4.403 -3.430 1.00 3.24 C ATOM 1475 CG ASP A 94 19.523 3.033 -3.344 1.00 3.40 C ATOM 1476 OD1 ASP A 94 19.991 2.103 -4.030 1.00 12.23 O ATOM 1477 OD2 ASP A 94 18.521 2.894 -2.608 1.00 2.15 O ATOM 0 H ASP A 94 20.713 4.425 -0.841 1.00 72.41 H new ATOM 0 HA ASP A 94 22.236 3.801 -3.295 1.00 21.15 H new ATOM 0 HB2 ASP A 94 19.512 5.135 -2.957 1.00 3.24 H new ATOM 0 HB3 ASP A 94 20.259 4.688 -4.478 1.00 3.24 H new ATOM 1482 N SER A 95 22.146 6.453 -4.061 1.00 12.01 N ATOM 1483 CA SER A 95 22.489 7.870 -4.256 1.00 40.32 C ATOM 1484 C SER A 95 21.213 8.732 -4.231 1.00 45.45 C ATOM 1485 O SER A 95 20.987 9.569 -5.108 1.00 54.35 O ATOM 1486 CB SER A 95 23.245 8.067 -5.583 1.00 44.32 C ATOM 1487 OG SER A 95 23.663 9.416 -5.746 1.00 4.34 O ATOM 0 H SER A 95 21.976 5.938 -4.925 1.00 12.01 H new ATOM 0 HA SER A 95 23.141 8.185 -3.441 1.00 40.32 H new ATOM 0 HB2 SER A 95 24.114 7.409 -5.610 1.00 44.32 H new ATOM 0 HB3 SER A 95 22.603 7.780 -6.416 1.00 44.32 H new ATOM 0 HG SER A 95 22.880 10.005 -5.735 1.00 4.34 H new ATOM 1493 N LYS A 96 20.382 8.518 -3.208 1.00 41.21 N ATOM 1494 CA LYS A 96 19.093 9.216 -3.083 1.00 70.41 C ATOM 1495 C LYS A 96 19.210 10.511 -2.266 1.00 30.13 C ATOM 1496 O LYS A 96 20.275 10.844 -1.739 1.00 12.41 O ATOM 1497 CB LYS A 96 18.044 8.298 -2.432 1.00 75.34 C ATOM 1498 CG LYS A 96 17.515 7.195 -3.348 1.00 41.44 C ATOM 1499 CD LYS A 96 16.428 6.371 -2.655 1.00 43.10 C ATOM 1500 CE LYS A 96 15.773 5.371 -3.604 1.00 43.43 C ATOM 1501 NZ LYS A 96 16.757 4.419 -4.178 1.00 63.13 N ATOM 0 H LYS A 96 20.577 7.865 -2.449 1.00 41.21 H new ATOM 0 HA LYS A 96 18.779 9.480 -4.093 1.00 70.41 H new ATOM 0 HB2 LYS A 96 18.481 7.839 -1.545 1.00 75.34 H new ATOM 0 HB3 LYS A 96 17.205 8.907 -2.095 1.00 75.34 H new ATOM 0 HG2 LYS A 96 17.113 7.638 -4.259 1.00 41.44 H new ATOM 0 HG3 LYS A 96 18.335 6.542 -3.646 1.00 41.44 H new ATOM 0 HD2 LYS A 96 16.862 5.837 -1.810 1.00 43.10 H new ATOM 0 HD3 LYS A 96 15.667 7.040 -2.253 1.00 43.10 H new ATOM 0 HE2 LYS A 96 15.002 4.816 -3.070 1.00 43.43 H new ATOM 0 HE3 LYS A 96 15.277 5.910 -4.411 1.00 43.43 H new ATOM 0 HZ1 LYS A 96 16.267 3.748 -4.803 1.00 63.13 H new ATOM 0 HZ2 LYS A 96 17.470 4.944 -4.724 1.00 63.13 H new ATOM 0 HZ3 LYS A 96 17.225 3.898 -3.409 1.00 63.13 H new ATOM 1515 N ASP A 97 18.099 11.237 -2.175 1.00 13.05 N ATOM 1516 CA ASP A 97 18.022 12.457 -1.370 1.00 35.03 C ATOM 1517 C ASP A 97 17.963 12.119 0.132 1.00 63.24 C ATOM 1518 O ASP A 97 17.390 11.094 0.519 1.00 74.41 O ATOM 1519 CB ASP A 97 16.776 13.257 -1.765 1.00 20.12 C ATOM 1520 CG ASP A 97 16.690 13.493 -3.262 1.00 22.21 C ATOM 1521 OD1 ASP A 97 16.351 12.541 -3.999 1.00 24.23 O ATOM 1522 OD2 ASP A 97 16.964 14.625 -3.715 1.00 31.15 O ATOM 0 H ASP A 97 17.230 11.000 -2.654 1.00 13.05 H new ATOM 0 HA ASP A 97 18.916 13.051 -1.557 1.00 35.03 H new ATOM 0 HB2 ASP A 97 15.885 12.724 -1.432 1.00 20.12 H new ATOM 0 HB3 ASP A 97 16.785 14.217 -1.249 1.00 20.12 H new ATOM 1527 N PRO A 98 18.550 12.970 1.001 1.00 71.23 N ATOM 1528 CA PRO A 98 18.469 12.784 2.463 1.00 52.42 C ATOM 1529 C PRO A 98 17.011 12.672 2.946 1.00 15.13 C ATOM 1530 O PRO A 98 16.640 11.719 3.640 1.00 15.52 O ATOM 1531 CB PRO A 98 19.135 14.054 3.019 1.00 63.13 C ATOM 1532 CG PRO A 98 20.035 14.524 1.924 1.00 2.31 C ATOM 1533 CD PRO A 98 19.340 14.164 0.637 1.00 15.21 C ATOM 0 HA PRO A 98 18.950 11.863 2.793 1.00 52.42 H new ATOM 0 HB2 PRO A 98 18.393 14.811 3.273 1.00 63.13 H new ATOM 0 HB3 PRO A 98 19.697 13.840 3.928 1.00 63.13 H new ATOM 0 HG2 PRO A 98 20.203 15.599 1.990 1.00 2.31 H new ATOM 0 HG3 PRO A 98 21.012 14.045 1.988 1.00 2.31 H new ATOM 0 HD2 PRO A 98 18.704 14.975 0.283 1.00 15.21 H new ATOM 0 HD3 PRO A 98 20.053 13.948 -0.159 1.00 15.21 H new ATOM 1541 N ASP A 99 16.200 13.658 2.563 1.00 43.22 N ATOM 1542 CA ASP A 99 14.759 13.666 2.838 1.00 53.30 C ATOM 1543 C ASP A 99 14.081 14.830 2.098 1.00 54.44 C ATOM 1544 O ASP A 99 14.745 15.608 1.407 1.00 74.51 O ATOM 1545 CB ASP A 99 14.488 13.768 4.346 1.00 60.43 C ATOM 1546 CG ASP A 99 15.054 15.037 4.955 1.00 4.21 C ATOM 1547 OD1 ASP A 99 16.257 15.059 5.284 1.00 1.55 O ATOM 1548 OD2 ASP A 99 14.299 16.023 5.099 1.00 14.43 O ATOM 0 H ASP A 99 16.523 14.479 2.051 1.00 43.22 H new ATOM 0 HA ASP A 99 14.340 12.726 2.478 1.00 53.30 H new ATOM 0 HB2 ASP A 99 13.413 13.733 4.522 1.00 60.43 H new ATOM 0 HB3 ASP A 99 14.921 12.903 4.849 1.00 60.43 H new ATOM 1553 N THR A 100 12.766 14.951 2.245 1.00 34.30 N ATOM 1554 CA THR A 100 12.018 16.041 1.605 1.00 5.42 C ATOM 1555 C THR A 100 10.784 16.432 2.424 1.00 63.02 C ATOM 1556 O THR A 100 10.004 15.578 2.845 1.00 11.34 O ATOM 1557 CB THR A 100 11.579 15.676 0.165 1.00 21.14 C ATOM 1558 OG1 THR A 100 10.827 16.757 -0.416 1.00 72.52 O ATOM 1559 CG2 THR A 100 10.745 14.396 0.140 1.00 74.40 C ATOM 0 H THR A 100 12.193 14.314 2.798 1.00 34.30 H new ATOM 0 HA THR A 100 12.699 16.890 1.557 1.00 5.42 H new ATOM 0 HB THR A 100 12.482 15.505 -0.421 1.00 21.14 H new ATOM 0 HG1 THR A 100 10.557 16.515 -1.326 1.00 72.52 H new ATOM 0 HG21 THR A 100 10.455 14.171 -0.886 1.00 74.40 H new ATOM 0 HG22 THR A 100 11.334 13.570 0.540 1.00 74.40 H new ATOM 0 HG23 THR A 100 9.851 14.532 0.748 1.00 74.40 H new ATOM 1567 N ASP A 101 10.620 17.727 2.661 1.00 40.03 N ATOM 1568 CA ASP A 101 9.461 18.238 3.394 1.00 21.30 C ATOM 1569 C ASP A 101 8.792 19.387 2.628 1.00 73.41 C ATOM 1570 O ASP A 101 9.470 20.295 2.137 1.00 21.21 O ATOM 1571 CB ASP A 101 9.893 18.706 4.787 1.00 31.53 C ATOM 1572 CG ASP A 101 8.722 19.191 5.623 1.00 50.01 C ATOM 1573 OD1 ASP A 101 8.006 18.347 6.201 1.00 11.41 O ATOM 1574 OD2 ASP A 101 8.510 20.419 5.704 1.00 44.20 O ATOM 0 H ASP A 101 11.275 18.447 2.357 1.00 40.03 H new ATOM 0 HA ASP A 101 8.733 17.433 3.497 1.00 21.30 H new ATOM 0 HB2 ASP A 101 10.391 17.886 5.305 1.00 31.53 H new ATOM 0 HB3 ASP A 101 10.623 19.510 4.687 1.00 31.53 H new ATOM 1579 N LEU A 102 7.466 19.336 2.521 1.00 23.21 N ATOM 1580 CA LEU A 102 6.697 20.383 1.838 1.00 14.13 C ATOM 1581 C LEU A 102 5.198 20.278 2.163 1.00 0.03 C ATOM 1582 O LEU A 102 4.723 19.244 2.641 1.00 34.05 O ATOM 1583 CB LEU A 102 6.939 20.324 0.312 1.00 32.21 C ATOM 1584 CG LEU A 102 6.814 18.933 -0.354 1.00 35.11 C ATOM 1585 CD1 LEU A 102 5.358 18.474 -0.441 1.00 43.24 C ATOM 1586 CD2 LEU A 102 7.463 18.940 -1.738 1.00 34.13 C ATOM 0 H LEU A 102 6.897 18.579 2.899 1.00 23.21 H new ATOM 0 HA LEU A 102 7.044 21.349 2.204 1.00 14.13 H new ATOM 0 HB2 LEU A 102 6.232 20.998 -0.172 1.00 32.21 H new ATOM 0 HB3 LEU A 102 7.938 20.710 0.110 1.00 32.21 H new ATOM 0 HG LEU A 102 7.343 18.218 0.276 1.00 35.11 H new ATOM 0 HD11 LEU A 102 5.313 17.493 -0.915 1.00 43.24 H new ATOM 0 HD12 LEU A 102 4.935 18.412 0.562 1.00 43.24 H new ATOM 0 HD13 LEU A 102 4.786 19.189 -1.032 1.00 43.24 H new ATOM 0 HD21 LEU A 102 7.365 17.953 -2.191 1.00 34.13 H new ATOM 0 HD22 LEU A 102 6.968 19.679 -2.368 1.00 34.13 H new ATOM 0 HD23 LEU A 102 8.519 19.193 -1.643 1.00 34.13 H new ATOM 1598 N ILE A 103 4.460 21.357 1.915 1.00 41.12 N ATOM 1599 CA ILE A 103 3.007 21.371 2.126 1.00 14.04 C ATOM 1600 C ILE A 103 2.260 21.550 0.796 1.00 63.21 C ATOM 1601 O ILE A 103 2.280 22.626 0.197 1.00 54.14 O ATOM 1602 CB ILE A 103 2.594 22.498 3.111 1.00 73.24 C ATOM 1603 CG1 ILE A 103 3.339 22.354 4.449 1.00 33.15 C ATOM 1604 CG2 ILE A 103 1.083 22.497 3.338 1.00 41.33 C ATOM 1605 CD1 ILE A 103 3.050 21.062 5.186 1.00 34.31 C ATOM 0 H ILE A 103 4.841 22.237 1.567 1.00 41.12 H new ATOM 0 HA ILE A 103 2.733 20.409 2.559 1.00 14.04 H new ATOM 0 HB ILE A 103 2.872 23.453 2.664 1.00 73.24 H new ATOM 0 HG12 ILE A 103 4.411 22.421 4.264 1.00 33.15 H new ATOM 0 HG13 ILE A 103 3.073 23.193 5.092 1.00 33.15 H new ATOM 0 HG21 ILE A 103 0.819 23.295 4.032 1.00 41.33 H new ATOM 0 HG22 ILE A 103 0.572 22.657 2.388 1.00 41.33 H new ATOM 0 HG23 ILE A 103 0.779 21.538 3.756 1.00 41.33 H new ATOM 0 HD11 ILE A 103 3.615 21.041 6.118 1.00 34.31 H new ATOM 0 HD12 ILE A 103 1.984 20.999 5.406 1.00 34.31 H new ATOM 0 HD13 ILE A 103 3.343 20.215 4.565 1.00 34.31 H new ATOM 1617 N VAL A 104 1.600 20.489 0.337 1.00 13.04 N ATOM 1618 CA VAL A 104 0.875 20.518 -0.940 1.00 73.02 C ATOM 1619 C VAL A 104 -0.452 21.299 -0.832 1.00 53.55 C ATOM 1620 O VAL A 104 -1.138 21.241 0.191 1.00 35.52 O ATOM 1621 CB VAL A 104 0.580 19.084 -1.454 1.00 23.23 C ATOM 1622 CG1 VAL A 104 1.879 18.320 -1.699 1.00 63.41 C ATOM 1623 CG2 VAL A 104 -0.318 18.326 -0.478 1.00 1.30 C ATOM 0 H VAL A 104 1.550 19.596 0.828 1.00 13.04 H new ATOM 0 HA VAL A 104 1.525 21.029 -1.650 1.00 73.02 H new ATOM 0 HB VAL A 104 0.049 19.169 -2.402 1.00 23.23 H new ATOM 0 HG11 VAL A 104 1.649 17.317 -2.059 1.00 63.41 H new ATOM 0 HG12 VAL A 104 2.475 18.845 -2.445 1.00 63.41 H new ATOM 0 HG13 VAL A 104 2.442 18.251 -0.768 1.00 63.41 H new ATOM 0 HG21 VAL A 104 -0.509 17.324 -0.862 1.00 1.30 H new ATOM 0 HG22 VAL A 104 0.176 18.255 0.491 1.00 1.30 H new ATOM 0 HG23 VAL A 104 -1.263 18.858 -0.365 1.00 1.30 H new ATOM 1633 N PRO A 105 -0.823 22.062 -1.882 1.00 2.24 N ATOM 1634 CA PRO A 105 -2.111 22.778 -1.925 1.00 51.23 C ATOM 1635 C PRO A 105 -3.313 21.815 -1.885 1.00 52.01 C ATOM 1636 O PRO A 105 -3.544 21.040 -2.822 1.00 61.54 O ATOM 1637 CB PRO A 105 -2.059 23.549 -3.257 1.00 13.44 C ATOM 1638 CG PRO A 105 -0.613 23.579 -3.632 1.00 41.20 C ATOM 1639 CD PRO A 105 -0.021 22.307 -3.094 1.00 42.00 C ATOM 0 HA PRO A 105 -2.247 23.429 -1.061 1.00 51.23 H new ATOM 0 HB2 PRO A 105 -2.655 23.053 -4.023 1.00 13.44 H new ATOM 0 HB3 PRO A 105 -2.458 24.557 -3.145 1.00 13.44 H new ATOM 0 HG2 PRO A 105 -0.491 23.640 -4.713 1.00 41.20 H new ATOM 0 HG3 PRO A 105 -0.117 24.451 -3.206 1.00 41.20 H new ATOM 0 HD2 PRO A 105 -0.106 21.488 -3.808 1.00 42.00 H new ATOM 0 HD3 PRO A 105 1.038 22.420 -2.862 1.00 42.00 H new ATOM 1647 N ASN A 106 -4.070 21.869 -0.791 1.00 54.14 N ATOM 1648 CA ASN A 106 -5.186 20.946 -0.565 1.00 51.51 C ATOM 1649 C ASN A 106 -6.420 21.332 -1.401 1.00 11.41 C ATOM 1650 O ASN A 106 -6.777 22.509 -1.496 1.00 41.03 O ATOM 1651 CB ASN A 106 -5.545 20.932 0.927 1.00 53.51 C ATOM 1652 CG ASN A 106 -6.557 19.856 1.279 1.00 54.44 C ATOM 1653 OD1 ASN A 106 -6.580 18.783 0.686 1.00 13.32 O ATOM 1654 ND2 ASN A 106 -7.399 20.132 2.249 1.00 24.05 N ATOM 0 H ASN A 106 -3.931 22.546 -0.041 1.00 54.14 H new ATOM 0 HA ASN A 106 -4.873 19.950 -0.879 1.00 51.51 H new ATOM 0 HB2 ASN A 106 -4.639 20.777 1.513 1.00 53.51 H new ATOM 0 HB3 ASN A 106 -5.944 21.906 1.209 1.00 53.51 H new ATOM 0 HD21 ASN A 106 -8.098 19.444 2.529 1.00 24.05 H new ATOM 0 HD22 ASN A 106 -7.354 21.034 2.722 1.00 24.05 H new ATOM 1661 N LEU A 107 -7.066 20.338 -2.006 1.00 54.30 N ATOM 1662 CA LEU A 107 -8.290 20.572 -2.785 1.00 20.33 C ATOM 1663 C LEU A 107 -9.543 20.556 -1.889 1.00 65.41 C ATOM 1664 O LEU A 107 -9.509 20.059 -0.759 1.00 31.32 O ATOM 1665 CB LEU A 107 -8.415 19.543 -3.933 1.00 24.33 C ATOM 1666 CG LEU A 107 -8.147 18.061 -3.577 1.00 1.24 C ATOM 1667 CD1 LEU A 107 -9.219 17.492 -2.649 1.00 15.22 C ATOM 1668 CD2 LEU A 107 -8.042 17.222 -4.849 1.00 10.20 C ATOM 0 H LEU A 107 -6.767 19.363 -1.975 1.00 54.30 H new ATOM 0 HA LEU A 107 -8.217 21.567 -3.225 1.00 20.33 H new ATOM 0 HB2 LEU A 107 -9.421 19.616 -4.346 1.00 24.33 H new ATOM 0 HB3 LEU A 107 -7.724 19.832 -4.725 1.00 24.33 H new ATOM 0 HG LEU A 107 -7.199 18.019 -3.041 1.00 1.24 H new ATOM 0 HD11 LEU A 107 -8.991 16.450 -2.425 1.00 15.22 H new ATOM 0 HD12 LEU A 107 -9.240 18.066 -1.722 1.00 15.22 H new ATOM 0 HD13 LEU A 107 -10.192 17.554 -3.136 1.00 15.22 H new ATOM 0 HD21 LEU A 107 -7.853 16.182 -4.584 1.00 10.20 H new ATOM 0 HD22 LEU A 107 -8.975 17.291 -5.408 1.00 10.20 H new ATOM 0 HD23 LEU A 107 -7.222 17.594 -5.464 1.00 10.20 H new ATOM 1680 N GLU A 108 -10.647 21.098 -2.399 1.00 10.44 N ATOM 1681 CA GLU A 108 -11.898 21.172 -1.633 1.00 0.32 C ATOM 1682 C GLU A 108 -12.827 19.984 -1.939 1.00 31.33 C ATOM 1683 O GLU A 108 -12.488 19.095 -2.720 1.00 32.31 O ATOM 1684 CB GLU A 108 -12.639 22.479 -1.939 1.00 22.34 C ATOM 1685 CG GLU A 108 -13.100 22.600 -3.391 1.00 11.11 C ATOM 1686 CD GLU A 108 -14.176 23.656 -3.577 1.00 13.00 C ATOM 1687 OE1 GLU A 108 -15.365 23.334 -3.365 1.00 35.32 O ATOM 1688 OE2 GLU A 108 -13.844 24.808 -3.932 1.00 14.30 O ATOM 0 H GLU A 108 -10.705 21.493 -3.338 1.00 10.44 H new ATOM 0 HA GLU A 108 -11.628 21.138 -0.578 1.00 0.32 H new ATOM 0 HB2 GLU A 108 -13.507 22.556 -1.284 1.00 22.34 H new ATOM 0 HB3 GLU A 108 -11.987 23.320 -1.703 1.00 22.34 H new ATOM 0 HG2 GLU A 108 -12.244 22.844 -4.021 1.00 11.11 H new ATOM 0 HG3 GLU A 108 -13.480 21.636 -3.729 1.00 11.11 H new ATOM 1695 N HIS A 109 -14.003 19.984 -1.310 1.00 24.20 N ATOM 1696 CA HIS A 109 -15.031 18.962 -1.557 1.00 55.22 C ATOM 1697 C HIS A 109 -16.433 19.589 -1.519 1.00 1.35 C ATOM 1698 O HIS A 109 -16.936 19.936 -0.449 1.00 22.10 O ATOM 1699 CB HIS A 109 -14.952 17.835 -0.516 1.00 72.31 C ATOM 1700 CG HIS A 109 -13.622 17.153 -0.454 1.00 21.53 C ATOM 1701 ND1 HIS A 109 -13.217 16.205 -1.365 1.00 31.22 N ATOM 1702 CD2 HIS A 109 -12.596 17.292 0.418 1.00 3.22 C ATOM 1703 CE1 HIS A 109 -12.008 15.788 -1.058 1.00 72.14 C ATOM 1704 NE2 HIS A 109 -11.606 16.433 0.018 1.00 45.05 N ATOM 0 H HIS A 109 -14.272 20.685 -0.620 1.00 24.20 H new ATOM 0 HA HIS A 109 -14.847 18.542 -2.546 1.00 55.22 H new ATOM 0 HB2 HIS A 109 -15.184 18.246 0.467 1.00 72.31 H new ATOM 0 HB3 HIS A 109 -15.719 17.093 -0.740 1.00 72.31 H new ATOM 0 HD2 HIS A 109 -12.564 17.956 1.269 1.00 3.22 H new ATOM 0 HE1 HIS A 109 -11.441 15.043 -1.597 1.00 72.14 H new ATOM 0 HE2 HIS A 109 -10.704 16.313 0.479 1.00 45.05 H new ATOM 1713 N HIS A 110 -17.056 19.764 -2.680 1.00 73.21 N ATOM 1714 CA HIS A 110 -18.424 20.292 -2.736 1.00 53.23 C ATOM 1715 C HIS A 110 -19.433 19.197 -2.354 1.00 41.21 C ATOM 1716 O HIS A 110 -20.016 18.536 -3.215 1.00 73.23 O ATOM 1717 CB HIS A 110 -18.728 20.861 -4.131 1.00 35.41 C ATOM 1718 CG HIS A 110 -20.052 21.564 -4.217 1.00 54.42 C ATOM 1719 ND1 HIS A 110 -21.119 21.091 -4.952 1.00 3.11 N ATOM 1720 CD2 HIS A 110 -20.478 22.717 -3.649 1.00 74.35 C ATOM 1721 CE1 HIS A 110 -22.138 21.917 -4.830 1.00 44.44 C ATOM 1722 NE2 HIS A 110 -21.776 22.909 -4.046 1.00 73.21 N ATOM 0 H HIS A 110 -16.645 19.552 -3.589 1.00 73.21 H new ATOM 0 HA HIS A 110 -18.514 21.106 -2.016 1.00 53.23 H new ATOM 0 HB2 HIS A 110 -17.937 21.557 -4.411 1.00 35.41 H new ATOM 0 HB3 HIS A 110 -18.709 20.049 -4.858 1.00 35.41 H new ATOM 0 HD2 HIS A 110 -19.903 23.364 -3.004 1.00 74.35 H new ATOM 0 HE1 HIS A 110 -23.106 21.800 -5.295 1.00 44.44 H new ATOM 0 HE2 HIS A 110 -22.367 23.696 -3.776 1.00 73.21 H new ATOM 1731 N HIS A 111 -19.621 19.005 -1.051 1.00 73.01 N ATOM 1732 CA HIS A 111 -20.438 17.901 -0.528 1.00 33.11 C ATOM 1733 C HIS A 111 -21.402 18.378 0.572 1.00 53.42 C ATOM 1734 O HIS A 111 -21.117 19.333 1.295 1.00 2.40 O ATOM 1735 CB HIS A 111 -19.499 16.805 0.009 1.00 65.34 C ATOM 1736 CG HIS A 111 -20.186 15.642 0.667 1.00 20.12 C ATOM 1737 ND1 HIS A 111 -20.055 15.360 2.010 1.00 11.22 N ATOM 1738 CD2 HIS A 111 -20.993 14.675 0.164 1.00 64.14 C ATOM 1739 CE1 HIS A 111 -20.744 14.279 2.303 1.00 61.23 C ATOM 1740 NE2 HIS A 111 -21.321 13.844 1.206 1.00 23.30 N ATOM 0 H HIS A 111 -19.217 19.602 -0.329 1.00 73.01 H new ATOM 0 HA HIS A 111 -21.053 17.502 -1.335 1.00 33.11 H new ATOM 0 HB2 HIS A 111 -18.894 16.430 -0.817 1.00 65.34 H new ATOM 0 HB3 HIS A 111 -18.814 17.255 0.727 1.00 65.34 H new ATOM 0 HD2 HIS A 111 -21.316 14.577 -0.862 1.00 64.14 H new ATOM 0 HE1 HIS A 111 -20.822 13.826 3.280 1.00 61.23 H new ATOM 0 HE2 HIS A 111 -21.918 13.020 1.139 1.00 23.30 H new ATOM 1749 N HIS A 112 -22.556 17.716 0.678 1.00 24.12 N ATOM 1750 CA HIS A 112 -23.539 18.005 1.734 1.00 72.43 C ATOM 1751 C HIS A 112 -23.821 16.743 2.572 1.00 12.33 C ATOM 1752 O HIS A 112 -23.594 15.621 2.113 1.00 21.13 O ATOM 1753 CB HIS A 112 -24.843 18.534 1.122 1.00 54.41 C ATOM 1754 CG HIS A 112 -24.667 19.787 0.318 1.00 64.12 C ATOM 1755 ND1 HIS A 112 -25.000 19.876 -1.018 1.00 31.21 N ATOM 1756 CD2 HIS A 112 -24.202 21.012 0.664 1.00 40.41 C ATOM 1757 CE1 HIS A 112 -24.746 21.090 -1.456 1.00 75.45 C ATOM 1758 NE2 HIS A 112 -24.263 21.801 -0.460 1.00 14.44 N ATOM 0 H HIS A 112 -22.838 16.970 0.042 1.00 24.12 H new ATOM 0 HA HIS A 112 -23.122 18.771 2.388 1.00 72.43 H new ATOM 0 HB2 HIS A 112 -25.274 17.762 0.485 1.00 54.41 H new ATOM 0 HB3 HIS A 112 -25.559 18.724 1.922 1.00 54.41 H new ATOM 0 HD2 HIS A 112 -23.850 21.312 1.640 1.00 40.41 H new ATOM 0 HE1 HIS A 112 -24.907 21.444 -2.464 1.00 75.45 H new ATOM 0 HE2 HIS A 112 -23.980 22.779 -0.513 1.00 14.44 H new ATOM 1767 N HIS A 113 -24.319 16.928 3.795 1.00 11.33 N ATOM 1768 CA HIS A 113 -24.581 15.802 4.705 1.00 21.43 C ATOM 1769 C HIS A 113 -25.946 15.151 4.431 1.00 1.42 C ATOM 1770 O HIS A 113 -26.911 15.831 4.073 1.00 61.34 O ATOM 1771 CB HIS A 113 -24.526 16.274 6.163 1.00 65.21 C ATOM 1772 CG HIS A 113 -23.259 16.987 6.518 1.00 5.21 C ATOM 1773 ND1 HIS A 113 -23.240 18.194 7.176 1.00 71.32 N ATOM 1774 CD2 HIS A 113 -21.964 16.658 6.313 1.00 64.23 C ATOM 1775 CE1 HIS A 113 -21.996 18.579 7.351 1.00 54.54 C ATOM 1776 NE2 HIS A 113 -21.200 17.668 6.838 1.00 31.15 N ATOM 0 H HIS A 113 -24.550 17.843 4.182 1.00 11.33 H new ATOM 0 HA HIS A 113 -23.806 15.056 4.528 1.00 21.43 H new ATOM 0 HB2 HIS A 113 -25.371 16.936 6.353 1.00 65.21 H new ATOM 0 HB3 HIS A 113 -24.643 15.412 6.819 1.00 65.21 H new ATOM 0 HD2 HIS A 113 -21.599 15.766 5.826 1.00 64.23 H new ATOM 0 HE1 HIS A 113 -21.681 19.491 7.835 1.00 54.54 H new ATOM 0 HE2 HIS A 113 -20.181 17.706 6.831 1.00 31.15 H new ATOM 1785 N HIS A 114 -26.022 13.831 4.607 1.00 20.20 N ATOM 1786 CA HIS A 114 -27.277 13.087 4.410 1.00 21.22 C ATOM 1787 C HIS A 114 -27.650 12.265 5.665 1.00 54.34 C ATOM 1788 O HIS A 114 -28.411 12.781 6.516 1.00 37.73 O ATOM 1789 CB HIS A 114 -27.155 12.173 3.182 1.00 33.13 C ATOM 1790 CG HIS A 114 -26.873 12.910 1.906 1.00 22.13 C ATOM 1791 ND1 HIS A 114 -25.604 13.264 1.501 1.00 33.03 N ATOM 1792 CD2 HIS A 114 -27.707 13.356 0.939 1.00 23.44 C ATOM 1793 CE1 HIS A 114 -25.670 13.892 0.346 1.00 21.15 C ATOM 1794 NE2 HIS A 114 -26.932 13.962 -0.019 1.00 41.35 N ATOM 1795 OXT HIS A 114 -27.173 11.114 5.798 1.00 37.73 O ATOM 0 H HIS A 114 -25.231 13.250 4.886 1.00 20.20 H new ATOM 0 HA HIS A 114 -28.077 13.807 4.241 1.00 21.22 H new ATOM 0 HB2 HIS A 114 -26.359 11.449 3.357 1.00 33.13 H new ATOM 0 HB3 HIS A 114 -28.080 11.608 3.068 1.00 33.13 H new ATOM 0 HD2 HIS A 114 -28.782 13.254 0.923 1.00 23.44 H new ATOM 0 HE1 HIS A 114 -24.830 14.284 -0.208 1.00 21.15 H new ATOM 0 HE2 HIS A 114 -27.278 14.396 -0.875 1.00 41.35 H new TER 1804 HIS A 114