USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1448 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 ASN :FLIP amide:sc= 0.164 F(o=0.35,f=2.2) USER MOD Set 1.2: B 83 ASN :FLIP amide:sc= 2.04 F(o=0.35,f=2.2) USER MOD Set 2.1: A 21 SER OG : rot -31:sc= 1.3 USER MOD Set 2.2: B 80 TYR OH : rot 130:sc= 1.05 USER MOD Set 3.1: B 23 THR OG1 : rot 69:sc= 1.27 USER MOD Set 3.2: B 67 HIS :FLIP no HE2:sc= 0.125 F(o=0.75,f=1.4) USER MOD Set 4.1: A 84 HIS : no HE2:sc= 0.543 K(o=1.6,f=-10!) USER MOD Set 4.2: B 21 SER OG : rot -11:sc= 1.1 USER MOD Set 5.1: A 23 THR OG1 : rot 169:sc= 0.988 USER MOD Set 5.2: A 67 HIS : no HE2:sc= -0.725! X(o=0.26!,f=-0.15) USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -5:sc= 0.277 USER MOD Single : A 7 THR OG1 : rot 50:sc= 0.0283 USER MOD Single : A 15 ASN : amide:sc= 0.968 K(o=0.97,f=-0.87) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 136:sc= 0.223 (180deg=-0.457) USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.783 USER MOD Single : A 28 TYR OH : rot 165:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.0772 K(o=-0.077,f=-2.3!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0328 F(o=-0.96,f=-0.033) USER MOD Single : A 45 TYR OH : rot -59:sc= 0.111 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 62 ASN : amide:sc= 0.479 K(o=0.48,f=-5.3!) USER MOD Single : A 73 MET CE :methyl 167:sc= -2.44 (180deg=-2.6) USER MOD Single : A 77 THR OG1 : rot 78:sc= 0.111 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= -1.83! (180deg=-1.95!) USER MOD Single : A 79 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 TYR OH : rot 70:sc= -0.0153 USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 2.35 (180deg=2.18) USER MOD Single : B 1 MET N :NH3+ 131:sc= 0.168 (180deg=-0.0876) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 THR OG1 : rot 37:sc= 0.381 USER MOD Single : B 15 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.1!) USER MOD Single : B 17 LYS NZ :NH3+ -144:sc= 1.27 (180deg=1.14) USER MOD Single : B 18 LYS NZ :NH3+ 175:sc= 1.04 (180deg=0.992) USER MOD Single : B 26 THR OG1 : rot 79:sc= 0.0915 USER MOD Single : B 28 TYR OH : rot -58:sc= -0.0794 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 ASN : amide:sc= 0.418 X(o=0.42,f=0) USER MOD Single : B 40 ASN : amide:sc= 0.394 K(o=0.39,f=-4.5!) USER MOD Single : B 41 GLN : amide:sc= 0.323 X(o=0.32,f=-0.034) USER MOD Single : B 45 TYR OH : rot -73:sc= 0.468 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 62 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.7!) USER MOD Single : B 73 MET CE :methyl 152:sc= -2.48 (180deg=-2.95!) USER MOD Single : B 77 THR OG1 : rot 77:sc= 0.347 USER MOD Single : B 78 LYS NZ :NH3+ -164:sc= -0.652! (180deg=-0.883!) USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 HIS : no HE2:sc=-0.00965 K(o=-0.0096,f=-4.8!) USER MOD Single : B 89 LYS NZ :NH3+ -173:sc= 0.842 (180deg=0.743) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.218 17.467 10.831 1.00 33.42 N ATOM 2 CA MET A 1 -20.138 16.774 9.545 1.00 71.13 C ATOM 3 C MET A 1 -19.115 15.654 9.618 1.00 11.53 C ATOM 4 O MET A 1 -17.925 15.886 9.894 1.00 32.44 O ATOM 5 CB MET A 1 -19.816 17.751 8.383 1.00 13.44 C ATOM 6 CG MET A 1 -18.506 18.520 8.518 1.00 24.14 C ATOM 7 SD MET A 1 -18.178 19.596 7.112 1.00 64.43 S ATOM 8 CE MET A 1 -16.596 20.295 7.597 1.00 65.43 C ATOM 0 H1 MET A 1 -20.921 18.231 10.770 1.00 33.42 H new ATOM 0 H2 MET A 1 -20.502 16.794 11.571 1.00 33.42 H new ATOM 0 H3 MET A 1 -19.288 17.869 11.067 1.00 33.42 H new ATOM 0 HA MET A 1 -21.116 16.341 9.334 1.00 71.13 H new ATOM 0 HB2 MET A 1 -19.791 17.185 7.452 1.00 13.44 H new ATOM 0 HB3 MET A 1 -20.632 18.469 8.298 1.00 13.44 H new ATOM 0 HG2 MET A 1 -18.534 19.119 9.429 1.00 24.14 H new ATOM 0 HG3 MET A 1 -17.684 17.812 8.627 1.00 24.14 H new ATOM 0 HE1 MET A 1 -16.253 20.987 6.828 1.00 65.43 H new ATOM 0 HE2 MET A 1 -16.708 20.828 8.541 1.00 65.43 H new ATOM 0 HE3 MET A 1 -15.866 19.495 7.717 1.00 65.43 H new ATOM 20 N GLY A 2 -19.573 14.443 9.390 1.00 13.12 N ATOM 21 CA GLY A 2 -18.718 13.292 9.456 1.00 11.44 C ATOM 22 C GLY A 2 -17.938 13.101 8.195 1.00 72.20 C ATOM 23 O GLY A 2 -18.210 12.189 7.413 1.00 32.53 O ATOM 0 H GLY A 2 -20.544 14.235 9.155 1.00 13.12 H new ATOM 0 HA2 GLY A 2 -18.030 13.399 10.295 1.00 11.44 H new ATOM 0 HA3 GLY A 2 -19.320 12.404 9.648 1.00 11.44 H new ATOM 27 N PHE A 3 -16.995 13.961 7.986 1.00 41.11 N ATOM 28 CA PHE A 3 -16.143 13.892 6.850 1.00 24.03 C ATOM 29 C PHE A 3 -14.719 14.055 7.301 1.00 22.40 C ATOM 30 O PHE A 3 -14.381 15.028 7.982 1.00 60.34 O ATOM 31 CB PHE A 3 -16.510 14.974 5.816 1.00 13.43 C ATOM 32 CG PHE A 3 -15.630 14.966 4.590 1.00 43.12 C ATOM 33 CD1 PHE A 3 -14.517 15.792 4.509 1.00 10.52 C ATOM 34 CD2 PHE A 3 -15.911 14.127 3.525 1.00 12.25 C ATOM 35 CE1 PHE A 3 -13.706 15.779 3.395 1.00 10.20 C ATOM 36 CE2 PHE A 3 -15.103 14.114 2.406 1.00 51.34 C ATOM 37 CZ PHE A 3 -13.998 14.940 2.340 1.00 44.24 C ATOM 0 H PHE A 3 -16.794 14.742 8.611 1.00 41.11 H new ATOM 0 HA PHE A 3 -16.267 12.923 6.367 1.00 24.03 H new ATOM 0 HB2 PHE A 3 -17.546 14.834 5.509 1.00 13.43 H new ATOM 0 HB3 PHE A 3 -16.448 15.953 6.291 1.00 13.43 H new ATOM 0 HD1 PHE A 3 -14.284 16.454 5.330 1.00 10.52 H new ATOM 0 HD2 PHE A 3 -16.771 13.476 3.570 1.00 12.25 H new ATOM 0 HE1 PHE A 3 -12.842 16.425 3.348 1.00 10.20 H new ATOM 0 HE2 PHE A 3 -15.335 13.457 1.581 1.00 51.34 H new ATOM 0 HZ PHE A 3 -13.365 14.929 1.465 1.00 44.24 H new ATOM 47 N THR A 4 -13.911 13.105 6.976 1.00 33.32 N ATOM 48 CA THR A 4 -12.517 13.147 7.264 1.00 51.20 C ATOM 49 C THR A 4 -11.754 12.345 6.206 1.00 65.21 C ATOM 50 O THR A 4 -11.642 11.112 6.294 1.00 14.43 O ATOM 51 CB THR A 4 -12.187 12.622 8.694 1.00 72.12 C ATOM 52 OG1 THR A 4 -12.896 13.404 9.677 1.00 41.42 O ATOM 53 CG2 THR A 4 -10.691 12.719 8.973 1.00 10.30 C ATOM 0 H THR A 4 -14.207 12.258 6.492 1.00 33.32 H new ATOM 0 HA THR A 4 -12.202 14.190 7.236 1.00 51.20 H new ATOM 0 HB THR A 4 -12.495 11.578 8.753 1.00 72.12 H new ATOM 0 HG1 THR A 4 -13.369 14.138 9.232 1.00 41.42 H new ATOM 0 HG21 THR A 4 -10.483 12.347 9.976 1.00 10.30 H new ATOM 0 HG22 THR A 4 -10.145 12.120 8.244 1.00 10.30 H new ATOM 0 HG23 THR A 4 -10.374 13.759 8.898 1.00 10.30 H new ATOM 61 N ASP A 5 -11.312 13.031 5.188 1.00 51.31 N ATOM 62 CA ASP A 5 -10.496 12.436 4.151 1.00 12.22 C ATOM 63 C ASP A 5 -9.333 13.359 3.923 1.00 44.31 C ATOM 64 O ASP A 5 -9.460 14.391 3.266 1.00 75.53 O ATOM 65 CB ASP A 5 -11.298 12.196 2.852 1.00 53.21 C ATOM 66 CG ASP A 5 -10.485 11.493 1.770 1.00 55.41 C ATOM 67 OD1 ASP A 5 -10.259 12.088 0.687 1.00 54.41 O ATOM 68 OD2 ASP A 5 -10.061 10.333 1.995 1.00 21.13 O ATOM 0 H ASP A 5 -11.505 14.023 5.049 1.00 51.31 H new ATOM 0 HA ASP A 5 -10.147 11.452 4.463 1.00 12.22 H new ATOM 0 HB2 ASP A 5 -12.180 11.598 3.082 1.00 53.21 H new ATOM 0 HB3 ASP A 5 -11.652 13.153 2.468 1.00 53.21 H new ATOM 73 N GLU A 6 -8.219 13.019 4.518 1.00 4.23 N ATOM 74 CA GLU A 6 -7.064 13.887 4.544 1.00 33.53 C ATOM 75 C GLU A 6 -5.915 13.373 3.705 1.00 44.02 C ATOM 76 O GLU A 6 -4.757 13.800 3.877 1.00 75.20 O ATOM 77 CB GLU A 6 -6.630 14.145 5.981 1.00 63.03 C ATOM 78 CG GLU A 6 -6.385 12.903 6.810 1.00 21.41 C ATOM 79 CD GLU A 6 -5.941 13.253 8.197 1.00 54.12 C ATOM 80 OE1 GLU A 6 -4.756 13.055 8.518 1.00 32.21 O ATOM 81 OE2 GLU A 6 -6.760 13.775 8.976 1.00 4.30 O ATOM 0 H GLU A 6 -8.084 12.130 5.000 1.00 4.23 H new ATOM 0 HA GLU A 6 -7.364 14.831 4.090 1.00 33.53 H new ATOM 0 HB2 GLU A 6 -5.717 14.740 5.967 1.00 63.03 H new ATOM 0 HB3 GLU A 6 -7.395 14.746 6.473 1.00 63.03 H new ATOM 0 HG2 GLU A 6 -7.298 12.309 6.857 1.00 21.41 H new ATOM 0 HG3 GLU A 6 -5.627 12.285 6.328 1.00 21.41 H new ATOM 88 N THR A 7 -6.203 12.486 2.796 1.00 13.34 N ATOM 89 CA THR A 7 -5.203 12.039 1.888 1.00 41.52 C ATOM 90 C THR A 7 -4.932 13.090 0.810 1.00 31.40 C ATOM 91 O THR A 7 -5.590 13.141 -0.224 1.00 14.22 O ATOM 92 CB THR A 7 -5.545 10.672 1.278 1.00 62.15 C ATOM 93 OG1 THR A 7 -6.931 10.647 0.905 1.00 11.53 O ATOM 94 CG2 THR A 7 -5.240 9.547 2.246 1.00 50.32 C ATOM 0 H THR A 7 -7.122 12.063 2.669 1.00 13.34 H new ATOM 0 HA THR A 7 -4.284 11.903 2.458 1.00 41.52 H new ATOM 0 HB THR A 7 -4.927 10.523 0.392 1.00 62.15 H new ATOM 0 HG1 THR A 7 -7.140 11.441 0.370 1.00 11.53 H new ATOM 0 HG21 THR A 7 -5.493 8.592 1.785 1.00 50.32 H new ATOM 0 HG22 THR A 7 -4.179 9.560 2.496 1.00 50.32 H new ATOM 0 HG23 THR A 7 -5.828 9.679 3.154 1.00 50.32 H new ATOM 102 N VAL A 8 -4.048 14.002 1.128 1.00 30.14 N ATOM 103 CA VAL A 8 -3.610 15.007 0.194 1.00 3.13 C ATOM 104 C VAL A 8 -2.685 14.345 -0.816 1.00 53.21 C ATOM 105 O VAL A 8 -1.940 13.433 -0.469 1.00 52.12 O ATOM 106 CB VAL A 8 -2.886 16.193 0.923 1.00 62.42 C ATOM 107 CG1 VAL A 8 -1.659 15.722 1.698 1.00 71.43 C ATOM 108 CG2 VAL A 8 -2.517 17.302 -0.055 1.00 31.32 C ATOM 0 H VAL A 8 -3.610 14.068 2.047 1.00 30.14 H new ATOM 0 HA VAL A 8 -4.475 15.433 -0.314 1.00 3.13 H new ATOM 0 HB VAL A 8 -3.593 16.600 1.646 1.00 62.42 H new ATOM 0 HG11 VAL A 8 -1.188 16.575 2.187 1.00 71.43 H new ATOM 0 HG12 VAL A 8 -1.961 14.994 2.450 1.00 71.43 H new ATOM 0 HG13 VAL A 8 -0.950 15.261 1.011 1.00 71.43 H new ATOM 0 HG21 VAL A 8 -2.017 18.109 0.481 1.00 31.32 H new ATOM 0 HG22 VAL A 8 -1.849 16.906 -0.819 1.00 31.32 H new ATOM 0 HG23 VAL A 8 -3.421 17.686 -0.527 1.00 31.32 H new ATOM 118 N ARG A 9 -2.752 14.756 -2.049 1.00 40.25 N ATOM 119 CA ARG A 9 -1.922 14.143 -3.046 1.00 65.10 C ATOM 120 C ARG A 9 -0.613 14.881 -3.152 1.00 31.13 C ATOM 121 O ARG A 9 -0.493 15.863 -3.888 1.00 52.44 O ATOM 122 CB ARG A 9 -2.611 14.009 -4.431 1.00 20.22 C ATOM 123 CG ARG A 9 -3.902 13.178 -4.439 1.00 25.44 C ATOM 124 CD ARG A 9 -5.053 13.916 -3.775 1.00 72.33 C ATOM 125 NE ARG A 9 -6.241 13.092 -3.626 1.00 71.11 N ATOM 126 CZ ARG A 9 -7.462 13.414 -4.048 1.00 20.53 C ATOM 127 NH1 ARG A 9 -7.653 14.513 -4.769 1.00 75.23 N ATOM 128 NH2 ARG A 9 -8.497 12.633 -3.739 1.00 43.30 N ATOM 0 H ARG A 9 -3.362 15.501 -2.385 1.00 40.25 H new ATOM 0 HA ARG A 9 -1.733 13.121 -2.717 1.00 65.10 H new ATOM 0 HB2 ARG A 9 -2.838 15.008 -4.805 1.00 20.22 H new ATOM 0 HB3 ARG A 9 -1.904 13.560 -5.129 1.00 20.22 H new ATOM 0 HG2 ARG A 9 -4.171 12.935 -5.467 1.00 25.44 H new ATOM 0 HG3 ARG A 9 -3.730 12.234 -3.923 1.00 25.44 H new ATOM 0 HD2 ARG A 9 -4.735 14.267 -2.793 1.00 72.33 H new ATOM 0 HD3 ARG A 9 -5.301 14.799 -4.365 1.00 72.33 H new ATOM 0 HE ARG A 9 -6.130 12.192 -3.159 1.00 71.11 H new ATOM 0 HH11 ARG A 9 -6.862 15.114 -5.002 1.00 75.23 H new ATOM 0 HH12 ARG A 9 -8.590 14.756 -5.090 1.00 75.23 H new ATOM 0 HH21 ARG A 9 -8.352 11.792 -3.181 1.00 43.30 H new ATOM 0 HH22 ARG A 9 -9.434 12.877 -4.061 1.00 43.30 H new ATOM 142 N PHE A 10 0.339 14.462 -2.359 1.00 43.14 N ATOM 143 CA PHE A 10 1.635 15.074 -2.361 1.00 1.14 C ATOM 144 C PHE A 10 2.537 14.247 -3.274 1.00 44.41 C ATOM 145 O PHE A 10 2.699 13.044 -3.074 1.00 21.33 O ATOM 146 CB PHE A 10 2.194 15.119 -0.926 1.00 13.23 C ATOM 147 CG PHE A 10 3.380 16.035 -0.741 1.00 73.50 C ATOM 148 CD1 PHE A 10 3.217 17.275 -0.145 1.00 10.23 C ATOM 149 CD2 PHE A 10 4.642 15.668 -1.158 1.00 32.31 C ATOM 150 CE1 PHE A 10 4.293 18.126 0.029 1.00 13.20 C ATOM 151 CE2 PHE A 10 5.721 16.512 -0.987 1.00 14.51 C ATOM 152 CZ PHE A 10 5.546 17.742 -0.393 1.00 53.25 C ATOM 0 H PHE A 10 0.235 13.691 -1.699 1.00 43.14 H new ATOM 0 HA PHE A 10 1.581 16.099 -2.726 1.00 1.14 H new ATOM 0 HB2 PHE A 10 1.399 15.435 -0.250 1.00 13.23 H new ATOM 0 HB3 PHE A 10 2.481 14.110 -0.630 1.00 13.23 H new ATOM 0 HD1 PHE A 10 2.236 17.581 0.188 1.00 10.23 H new ATOM 0 HD2 PHE A 10 4.789 14.706 -1.626 1.00 32.31 H new ATOM 0 HE1 PHE A 10 4.151 19.090 0.495 1.00 13.20 H new ATOM 0 HE2 PHE A 10 6.703 16.208 -1.319 1.00 14.51 H new ATOM 0 HZ PHE A 10 6.389 18.403 -0.259 1.00 53.25 H new ATOM 162 N ASP A 11 3.068 14.873 -4.289 1.00 15.53 N ATOM 163 CA ASP A 11 3.941 14.190 -5.249 1.00 35.40 C ATOM 164 C ASP A 11 5.396 14.381 -4.847 1.00 13.55 C ATOM 165 O ASP A 11 5.748 15.399 -4.249 1.00 65.54 O ATOM 166 CB ASP A 11 3.710 14.734 -6.671 1.00 44.33 C ATOM 167 CG ASP A 11 4.050 16.204 -6.803 1.00 14.23 C ATOM 168 OD1 ASP A 11 3.236 17.057 -6.371 1.00 62.31 O ATOM 169 OD2 ASP A 11 5.128 16.536 -7.341 1.00 75.11 O ATOM 0 H ASP A 11 2.919 15.863 -4.487 1.00 15.53 H new ATOM 0 HA ASP A 11 3.703 13.126 -5.244 1.00 35.40 H new ATOM 0 HB2 ASP A 11 4.314 14.162 -7.376 1.00 44.33 H new ATOM 0 HB3 ASP A 11 2.667 14.581 -6.948 1.00 44.33 H new ATOM 174 N PHE A 12 6.236 13.413 -5.158 1.00 54.13 N ATOM 175 CA PHE A 12 7.635 13.503 -4.793 1.00 70.45 C ATOM 176 C PHE A 12 8.516 13.435 -6.039 1.00 13.03 C ATOM 177 O PHE A 12 8.747 14.456 -6.686 1.00 21.42 O ATOM 178 CB PHE A 12 8.028 12.405 -3.786 1.00 4.10 C ATOM 179 CG PHE A 12 7.162 12.357 -2.559 1.00 63.11 C ATOM 180 CD1 PHE A 12 6.092 11.474 -2.493 1.00 22.34 C ATOM 181 CD2 PHE A 12 7.409 13.179 -1.482 1.00 62.24 C ATOM 182 CE1 PHE A 12 5.289 11.419 -1.375 1.00 72.11 C ATOM 183 CE2 PHE A 12 6.610 13.128 -0.360 1.00 61.15 C ATOM 184 CZ PHE A 12 5.549 12.246 -0.306 1.00 12.25 C ATOM 0 H PHE A 12 5.977 12.563 -5.658 1.00 54.13 H new ATOM 0 HA PHE A 12 7.792 14.466 -4.306 1.00 70.45 H new ATOM 0 HB2 PHE A 12 7.985 11.437 -4.286 1.00 4.10 H new ATOM 0 HB3 PHE A 12 9.063 12.561 -3.481 1.00 4.10 H new ATOM 0 HD1 PHE A 12 5.887 10.822 -3.329 1.00 22.34 H new ATOM 0 HD2 PHE A 12 8.238 13.871 -1.517 1.00 62.24 H new ATOM 0 HE1 PHE A 12 4.459 10.730 -1.337 1.00 72.11 H new ATOM 0 HE2 PHE A 12 6.814 13.778 0.478 1.00 61.15 H new ATOM 0 HZ PHE A 12 4.924 12.205 0.574 1.00 12.25 H new ATOM 194 N ASP A 13 8.939 12.213 -6.403 1.00 25.33 N ATOM 195 CA ASP A 13 9.788 11.928 -7.591 1.00 25.10 C ATOM 196 C ASP A 13 10.295 10.512 -7.434 1.00 63.45 C ATOM 197 O ASP A 13 10.119 9.660 -8.319 1.00 40.50 O ATOM 198 CB ASP A 13 11.005 12.882 -7.690 1.00 2.41 C ATOM 199 CG ASP A 13 11.772 12.740 -8.999 1.00 53.34 C ATOM 200 OD1 ASP A 13 11.506 13.528 -9.946 1.00 64.40 O ATOM 201 OD2 ASP A 13 12.644 11.874 -9.107 1.00 2.13 O ATOM 0 H ASP A 13 8.700 11.374 -5.875 1.00 25.33 H new ATOM 0 HA ASP A 13 9.195 12.067 -8.495 1.00 25.10 H new ATOM 0 HB2 ASP A 13 10.661 13.911 -7.587 1.00 2.41 H new ATOM 0 HB3 ASP A 13 11.681 12.687 -6.857 1.00 2.41 H new ATOM 206 N ASP A 14 10.903 10.271 -6.275 1.00 41.43 N ATOM 207 CA ASP A 14 11.396 8.964 -5.861 1.00 13.24 C ATOM 208 C ASP A 14 11.520 9.013 -4.350 1.00 10.25 C ATOM 209 O ASP A 14 11.383 10.104 -3.770 1.00 31.05 O ATOM 210 CB ASP A 14 12.778 8.649 -6.462 1.00 3.31 C ATOM 211 CG ASP A 14 13.945 9.332 -5.759 1.00 72.11 C ATOM 212 OD1 ASP A 14 14.594 8.685 -4.917 1.00 74.41 O ATOM 213 OD2 ASP A 14 14.242 10.509 -6.047 1.00 54.20 O ATOM 0 H ASP A 14 11.070 11.000 -5.581 1.00 41.43 H new ATOM 0 HA ASP A 14 10.711 8.189 -6.205 1.00 13.24 H new ATOM 0 HB2 ASP A 14 12.935 7.571 -6.434 1.00 3.31 H new ATOM 0 HB3 ASP A 14 12.779 8.944 -7.511 1.00 3.31 H new ATOM 218 N ASN A 15 11.795 7.871 -3.711 1.00 10.13 N ATOM 219 CA ASN A 15 11.934 7.793 -2.238 1.00 53.21 C ATOM 220 C ASN A 15 12.172 6.359 -1.805 1.00 25.12 C ATOM 221 O ASN A 15 11.229 5.624 -1.616 1.00 10.30 O ATOM 222 CB ASN A 15 10.645 8.255 -1.551 1.00 34.31 C ATOM 223 CG ASN A 15 10.715 8.238 -0.035 1.00 1.43 C ATOM 224 OD1 ASN A 15 11.749 8.524 0.566 1.00 24.02 O ATOM 225 ND2 ASN A 15 9.630 7.839 0.584 1.00 40.23 N ATOM 0 H ASN A 15 11.928 6.979 -4.187 1.00 10.13 H new ATOM 0 HA ASN A 15 12.773 8.430 -1.958 1.00 53.21 H new ATOM 0 HB2 ASN A 15 10.411 9.267 -1.883 1.00 34.31 H new ATOM 0 HB3 ASN A 15 9.824 7.615 -1.874 1.00 34.31 H new ATOM 0 HD21 ASN A 15 9.624 7.757 1.601 1.00 40.23 H new ATOM 0 HD22 ASN A 15 8.792 7.611 0.049 1.00 40.23 H new ATOM 232 N ARG A 16 13.397 5.932 -1.686 1.00 5.24 N ATOM 233 CA ARG A 16 13.600 4.555 -1.260 1.00 62.33 C ATOM 234 C ARG A 16 14.206 4.472 0.120 1.00 42.31 C ATOM 235 O ARG A 16 15.365 4.864 0.333 1.00 33.54 O ATOM 236 CB ARG A 16 14.325 3.647 -2.296 1.00 1.03 C ATOM 237 CG ARG A 16 15.765 3.997 -2.703 1.00 12.40 C ATOM 238 CD ARG A 16 15.883 5.272 -3.528 1.00 20.23 C ATOM 239 NE ARG A 16 17.258 5.438 -4.016 1.00 62.12 N ATOM 240 CZ ARG A 16 17.699 6.420 -4.811 1.00 50.03 C ATOM 241 NH1 ARG A 16 16.908 7.418 -5.174 1.00 35.22 N ATOM 242 NH2 ARG A 16 18.952 6.402 -5.240 1.00 34.30 N ATOM 0 H ARG A 16 14.240 6.477 -1.865 1.00 5.24 H new ATOM 0 HA ARG A 16 12.598 4.131 -1.199 1.00 62.33 H new ATOM 0 HB2 ARG A 16 14.331 2.632 -1.899 1.00 1.03 H new ATOM 0 HB3 ARG A 16 13.720 3.631 -3.202 1.00 1.03 H new ATOM 0 HG2 ARG A 16 16.371 4.101 -1.803 1.00 12.40 H new ATOM 0 HG3 ARG A 16 16.182 3.167 -3.274 1.00 12.40 H new ATOM 0 HD2 ARG A 16 15.193 5.233 -4.371 1.00 20.23 H new ATOM 0 HD3 ARG A 16 15.598 6.133 -2.923 1.00 20.23 H new ATOM 0 HE ARG A 16 17.941 4.740 -3.722 1.00 62.12 H new ATOM 0 HH11 ARG A 16 15.942 7.448 -4.847 1.00 35.22 H new ATOM 0 HH12 ARG A 16 17.264 8.156 -5.781 1.00 35.22 H new ATOM 0 HH21 ARG A 16 19.575 5.643 -4.964 1.00 34.30 H new ATOM 0 HH22 ARG A 16 19.294 7.148 -5.846 1.00 34.30 H new ATOM 256 N LYS A 17 13.415 3.984 1.064 1.00 3.43 N ATOM 257 CA LYS A 17 13.818 3.904 2.453 1.00 24.33 C ATOM 258 C LYS A 17 13.574 2.499 2.998 1.00 14.11 C ATOM 259 O LYS A 17 12.442 2.004 2.979 1.00 40.10 O ATOM 260 CB LYS A 17 13.013 4.906 3.303 1.00 34.03 C ATOM 261 CG LYS A 17 13.077 6.354 2.833 1.00 22.35 C ATOM 262 CD LYS A 17 14.489 6.914 2.853 1.00 53.01 C ATOM 263 CE LYS A 17 14.499 8.331 2.316 1.00 11.44 C ATOM 264 NZ LYS A 17 15.844 8.922 2.310 1.00 22.25 N ATOM 0 H LYS A 17 12.474 3.633 0.884 1.00 3.43 H new ATOM 0 HA LYS A 17 14.880 4.142 2.509 1.00 24.33 H new ATOM 0 HB2 LYS A 17 11.970 4.591 3.316 1.00 34.03 H new ATOM 0 HB3 LYS A 17 13.373 4.858 4.331 1.00 34.03 H new ATOM 0 HG2 LYS A 17 12.678 6.421 1.821 1.00 22.35 H new ATOM 0 HG3 LYS A 17 12.438 6.967 3.469 1.00 22.35 H new ATOM 0 HD2 LYS A 17 14.879 6.901 3.871 1.00 53.01 H new ATOM 0 HD3 LYS A 17 15.146 6.285 2.252 1.00 53.01 H new ATOM 0 HE2 LYS A 17 14.100 8.334 1.302 1.00 11.44 H new ATOM 0 HE3 LYS A 17 13.837 8.950 2.921 1.00 11.44 H new ATOM 0 HZ1 LYS A 17 15.796 9.890 1.934 1.00 22.25 H new ATOM 0 HZ2 LYS A 17 16.217 8.945 3.280 1.00 22.25 H new ATOM 0 HZ3 LYS A 17 16.472 8.349 1.711 1.00 22.25 H new ATOM 278 N LYS A 18 14.624 1.867 3.513 1.00 12.54 N ATOM 279 CA LYS A 18 14.511 0.520 4.091 1.00 35.41 C ATOM 280 C LYS A 18 13.630 0.569 5.342 1.00 1.25 C ATOM 281 O LYS A 18 13.032 -0.424 5.741 1.00 41.23 O ATOM 282 CB LYS A 18 15.896 -0.035 4.484 1.00 61.21 C ATOM 283 CG LYS A 18 16.578 0.754 5.601 1.00 24.53 C ATOM 284 CD LYS A 18 17.889 0.129 6.029 1.00 4.12 C ATOM 285 CE LYS A 18 18.501 0.901 7.192 1.00 65.33 C ATOM 286 NZ LYS A 18 17.601 0.929 8.374 1.00 34.22 N ATOM 0 H LYS A 18 15.565 2.260 3.545 1.00 12.54 H new ATOM 0 HA LYS A 18 14.069 -0.133 3.338 1.00 35.41 H new ATOM 0 HB2 LYS A 18 15.786 -1.073 4.799 1.00 61.21 H new ATOM 0 HB3 LYS A 18 16.541 -0.035 3.605 1.00 61.21 H new ATOM 0 HG2 LYS A 18 16.758 1.775 5.264 1.00 24.53 H new ATOM 0 HG3 LYS A 18 15.910 0.815 6.460 1.00 24.53 H new ATOM 0 HD2 LYS A 18 17.725 -0.908 6.321 1.00 4.12 H new ATOM 0 HD3 LYS A 18 18.583 0.117 5.189 1.00 4.12 H new ATOM 0 HE2 LYS A 18 19.451 0.445 7.470 1.00 65.33 H new ATOM 0 HE3 LYS A 18 18.717 1.922 6.876 1.00 65.33 H new ATOM 0 HZ1 LYS A 18 18.153 0.741 9.235 1.00 34.22 H new ATOM 0 HZ2 LYS A 18 17.153 1.865 8.447 1.00 34.22 H new ATOM 0 HZ3 LYS A 18 16.866 0.200 8.268 1.00 34.22 H new ATOM 300 N ALA A 19 13.556 1.752 5.933 1.00 23.31 N ATOM 301 CA ALA A 19 12.811 2.001 7.147 1.00 64.24 C ATOM 302 C ALA A 19 11.356 1.602 7.006 1.00 32.25 C ATOM 303 O ALA A 19 10.791 0.959 7.892 1.00 32.01 O ATOM 304 CB ALA A 19 12.895 3.456 7.491 1.00 22.21 C ATOM 0 H ALA A 19 14.025 2.582 5.569 1.00 23.31 H new ATOM 0 HA ALA A 19 13.250 1.396 7.940 1.00 64.24 H new ATOM 0 HB1 ALA A 19 12.334 3.647 8.406 1.00 22.21 H new ATOM 0 HB2 ALA A 19 13.938 3.735 7.640 1.00 22.21 H new ATOM 0 HB3 ALA A 19 12.474 4.047 6.678 1.00 22.21 H new ATOM 310 N ILE A 20 10.756 1.972 5.884 1.00 12.15 N ATOM 311 CA ILE A 20 9.359 1.669 5.626 1.00 0.55 C ATOM 312 C ILE A 20 9.178 0.163 5.507 1.00 44.14 C ATOM 313 O ILE A 20 8.184 -0.401 5.979 1.00 62.53 O ATOM 314 CB ILE A 20 8.857 2.379 4.334 1.00 22.30 C ATOM 315 CG1 ILE A 20 9.024 3.901 4.481 1.00 25.43 C ATOM 316 CG2 ILE A 20 7.396 2.022 4.048 1.00 1.25 C ATOM 317 CD1 ILE A 20 8.579 4.708 3.277 1.00 22.32 C ATOM 0 H ILE A 20 11.220 2.486 5.135 1.00 12.15 H new ATOM 0 HA ILE A 20 8.764 2.041 6.460 1.00 0.55 H new ATOM 0 HB ILE A 20 9.455 2.036 3.490 1.00 22.30 H new ATOM 0 HG12 ILE A 20 8.458 4.232 5.352 1.00 25.43 H new ATOM 0 HG13 ILE A 20 10.073 4.120 4.680 1.00 25.43 H new ATOM 0 HG21 ILE A 20 7.068 2.530 3.141 1.00 1.25 H new ATOM 0 HG22 ILE A 20 7.304 0.944 3.914 1.00 1.25 H new ATOM 0 HG23 ILE A 20 6.774 2.337 4.885 1.00 1.25 H new ATOM 0 HD11 ILE A 20 8.734 5.769 3.473 1.00 22.32 H new ATOM 0 HD12 ILE A 20 9.161 4.411 2.405 1.00 22.32 H new ATOM 0 HD13 ILE A 20 7.521 4.525 3.087 1.00 22.32 H new ATOM 329 N SER A 21 10.174 -0.480 4.951 1.00 42.52 N ATOM 330 CA SER A 21 10.148 -1.911 4.756 1.00 33.12 C ATOM 331 C SER A 21 10.194 -2.633 6.115 1.00 75.01 C ATOM 332 O SER A 21 9.387 -3.540 6.382 1.00 13.20 O ATOM 333 CB SER A 21 11.323 -2.327 3.871 1.00 53.41 C ATOM 334 OG SER A 21 11.295 -1.605 2.645 1.00 32.52 O ATOM 0 H SER A 21 11.026 -0.028 4.620 1.00 42.52 H new ATOM 0 HA SER A 21 9.221 -2.194 4.258 1.00 33.12 H new ATOM 0 HB2 SER A 21 12.263 -2.140 4.390 1.00 53.41 H new ATOM 0 HB3 SER A 21 11.277 -3.398 3.672 1.00 53.41 H new ATOM 0 HG SER A 21 10.366 -1.406 2.403 1.00 32.52 H new ATOM 340 N GLU A 22 11.112 -2.190 6.977 1.00 2.54 N ATOM 341 CA GLU A 22 11.277 -2.755 8.317 1.00 72.11 C ATOM 342 C GLU A 22 10.014 -2.523 9.151 1.00 62.14 C ATOM 343 O GLU A 22 9.597 -3.386 9.947 1.00 2.23 O ATOM 344 CB GLU A 22 12.485 -2.114 9.022 1.00 33.10 C ATOM 345 CG GLU A 22 13.790 -2.233 8.251 1.00 51.45 C ATOM 346 CD GLU A 22 14.972 -1.631 8.977 1.00 34.24 C ATOM 347 OE1 GLU A 22 15.054 -0.385 9.096 1.00 2.42 O ATOM 348 OE2 GLU A 22 15.859 -2.395 9.415 1.00 24.52 O ATOM 0 H GLU A 22 11.760 -1.431 6.766 1.00 2.54 H new ATOM 0 HA GLU A 22 11.448 -3.827 8.219 1.00 72.11 H new ATOM 0 HB2 GLU A 22 12.273 -1.059 9.195 1.00 33.10 H new ATOM 0 HB3 GLU A 22 12.610 -2.579 10.000 1.00 33.10 H new ATOM 0 HG2 GLU A 22 13.992 -3.286 8.053 1.00 51.45 H new ATOM 0 HG3 GLU A 22 13.678 -1.743 7.284 1.00 51.45 H new ATOM 355 N THR A 23 9.402 -1.367 8.945 1.00 24.20 N ATOM 356 CA THR A 23 8.202 -0.983 9.658 1.00 61.10 C ATOM 357 C THR A 23 7.016 -1.883 9.280 1.00 42.20 C ATOM 358 O THR A 23 6.387 -2.485 10.151 1.00 12.03 O ATOM 359 CB THR A 23 7.838 0.496 9.355 1.00 63.04 C ATOM 360 OG1 THR A 23 8.917 1.355 9.749 1.00 52.15 O ATOM 361 CG2 THR A 23 6.563 0.916 10.078 1.00 64.34 C ATOM 0 H THR A 23 9.728 -0.669 8.276 1.00 24.20 H new ATOM 0 HA THR A 23 8.405 -1.098 10.723 1.00 61.10 H new ATOM 0 HB THR A 23 7.667 0.585 8.282 1.00 63.04 H new ATOM 0 HG1 THR A 23 8.759 2.258 9.404 1.00 52.15 H new ATOM 0 HG21 THR A 23 6.338 1.956 9.844 1.00 64.34 H new ATOM 0 HG22 THR A 23 5.736 0.284 9.754 1.00 64.34 H new ATOM 0 HG23 THR A 23 6.702 0.808 11.154 1.00 64.34 H new ATOM 369 N LEU A 24 6.750 -2.007 7.985 1.00 3.32 N ATOM 370 CA LEU A 24 5.586 -2.750 7.511 1.00 5.11 C ATOM 371 C LEU A 24 5.663 -4.230 7.833 1.00 11.43 C ATOM 372 O LEU A 24 4.638 -4.860 8.104 1.00 11.13 O ATOM 373 CB LEU A 24 5.348 -2.523 6.024 1.00 30.23 C ATOM 374 CG LEU A 24 5.053 -1.084 5.603 1.00 42.24 C ATOM 375 CD1 LEU A 24 4.842 -1.014 4.111 1.00 51.24 C ATOM 376 CD2 LEU A 24 3.832 -0.539 6.339 1.00 53.44 C ATOM 0 H LEU A 24 7.323 -1.603 7.244 1.00 3.32 H new ATOM 0 HA LEU A 24 4.728 -2.356 8.056 1.00 5.11 H new ATOM 0 HB2 LEU A 24 6.227 -2.866 5.479 1.00 30.23 H new ATOM 0 HB3 LEU A 24 4.514 -3.150 5.710 1.00 30.23 H new ATOM 0 HG LEU A 24 5.911 -0.466 5.869 1.00 42.24 H new ATOM 0 HD11 LEU A 24 4.632 0.016 3.821 1.00 51.24 H new ATOM 0 HD12 LEU A 24 5.741 -1.359 3.600 1.00 51.24 H new ATOM 0 HD13 LEU A 24 4.000 -1.648 3.832 1.00 51.24 H new ATOM 0 HD21 LEU A 24 3.644 0.487 6.021 1.00 53.44 H new ATOM 0 HD22 LEU A 24 2.963 -1.156 6.109 1.00 53.44 H new ATOM 0 HD23 LEU A 24 4.016 -0.558 7.413 1.00 53.44 H new ATOM 388 N GLU A 25 6.878 -4.781 7.826 1.00 41.32 N ATOM 389 CA GLU A 25 7.080 -6.178 8.171 1.00 55.55 C ATOM 390 C GLU A 25 6.566 -6.421 9.604 1.00 43.12 C ATOM 391 O GLU A 25 5.902 -7.415 9.891 1.00 14.44 O ATOM 392 CB GLU A 25 8.572 -6.522 8.105 1.00 2.41 C ATOM 393 CG GLU A 25 8.878 -7.991 8.359 1.00 25.50 C ATOM 394 CD GLU A 25 10.356 -8.285 8.362 1.00 12.21 C ATOM 395 OE1 GLU A 25 10.949 -8.364 9.450 1.00 32.25 O ATOM 396 OE2 GLU A 25 10.953 -8.415 7.269 1.00 12.33 O ATOM 0 H GLU A 25 7.732 -4.277 7.585 1.00 41.32 H new ATOM 0 HA GLU A 25 6.536 -6.807 7.466 1.00 55.55 H new ATOM 0 HB2 GLU A 25 8.955 -6.246 7.123 1.00 2.41 H new ATOM 0 HB3 GLU A 25 9.107 -5.918 8.838 1.00 2.41 H new ATOM 0 HG2 GLU A 25 8.451 -8.286 9.317 1.00 25.50 H new ATOM 0 HG3 GLU A 25 8.393 -8.597 7.594 1.00 25.50 H new ATOM 403 N THR A 26 6.852 -5.464 10.475 1.00 44.32 N ATOM 404 CA THR A 26 6.481 -5.524 11.869 1.00 54.41 C ATOM 405 C THR A 26 4.964 -5.311 12.045 1.00 72.32 C ATOM 406 O THR A 26 4.311 -6.019 12.824 1.00 71.24 O ATOM 407 CB THR A 26 7.248 -4.443 12.660 1.00 71.02 C ATOM 408 OG1 THR A 26 8.650 -4.582 12.389 1.00 65.54 O ATOM 409 CG2 THR A 26 7.018 -4.612 14.154 1.00 11.13 C ATOM 0 H THR A 26 7.356 -4.614 10.223 1.00 44.32 H new ATOM 0 HA THR A 26 6.739 -6.512 12.250 1.00 54.41 H new ATOM 0 HB THR A 26 6.891 -3.459 12.356 1.00 71.02 H new ATOM 0 HG1 THR A 26 8.861 -4.157 11.531 1.00 65.54 H new ATOM 0 HG21 THR A 26 7.566 -3.841 14.696 1.00 11.13 H new ATOM 0 HG22 THR A 26 5.954 -4.521 14.371 1.00 11.13 H new ATOM 0 HG23 THR A 26 7.369 -5.595 14.467 1.00 11.13 H new ATOM 417 N VAL A 27 4.415 -4.343 11.303 1.00 52.52 N ATOM 418 CA VAL A 27 2.984 -4.017 11.362 1.00 64.24 C ATOM 419 C VAL A 27 2.141 -5.245 11.024 1.00 71.24 C ATOM 420 O VAL A 27 1.130 -5.525 11.679 1.00 31.52 O ATOM 421 CB VAL A 27 2.616 -2.841 10.398 1.00 64.43 C ATOM 422 CG1 VAL A 27 1.129 -2.537 10.453 1.00 11.15 C ATOM 423 CG2 VAL A 27 3.410 -1.592 10.741 1.00 63.13 C ATOM 0 H VAL A 27 4.945 -3.767 10.649 1.00 52.52 H new ATOM 0 HA VAL A 27 2.767 -3.698 12.381 1.00 64.24 H new ATOM 0 HB VAL A 27 2.871 -3.153 9.385 1.00 64.43 H new ATOM 0 HG11 VAL A 27 0.900 -1.716 9.774 1.00 11.15 H new ATOM 0 HG12 VAL A 27 0.566 -3.421 10.156 1.00 11.15 H new ATOM 0 HG13 VAL A 27 0.853 -2.255 11.469 1.00 11.15 H new ATOM 0 HG21 VAL A 27 3.137 -0.788 10.057 1.00 63.13 H new ATOM 0 HG22 VAL A 27 3.188 -1.289 11.764 1.00 63.13 H new ATOM 0 HG23 VAL A 27 4.476 -1.801 10.648 1.00 63.13 H new ATOM 433 N TYR A 28 2.593 -5.990 10.028 1.00 11.24 N ATOM 434 CA TYR A 28 1.908 -7.195 9.591 1.00 12.20 C ATOM 435 C TYR A 28 1.828 -8.204 10.730 1.00 22.13 C ATOM 436 O TYR A 28 0.759 -8.754 11.024 1.00 15.40 O ATOM 437 CB TYR A 28 2.648 -7.828 8.388 1.00 5.31 C ATOM 438 CG TYR A 28 2.020 -9.119 7.873 1.00 24.31 C ATOM 439 CD1 TYR A 28 2.360 -10.352 8.424 1.00 74.40 C ATOM 440 CD2 TYR A 28 1.087 -9.101 6.849 1.00 11.33 C ATOM 441 CE1 TYR A 28 1.787 -11.517 7.971 1.00 72.43 C ATOM 442 CE2 TYR A 28 0.511 -10.267 6.389 1.00 33.15 C ATOM 443 CZ TYR A 28 0.862 -11.469 6.954 1.00 24.30 C ATOM 444 OH TYR A 28 0.287 -12.630 6.498 1.00 52.33 O ATOM 0 H TYR A 28 3.441 -5.778 9.502 1.00 11.24 H new ATOM 0 HA TYR A 28 0.898 -6.922 9.286 1.00 12.20 H new ATOM 0 HB2 TYR A 28 2.680 -7.104 7.574 1.00 5.31 H new ATOM 0 HB3 TYR A 28 3.680 -8.029 8.676 1.00 5.31 H new ATOM 0 HD1 TYR A 28 3.087 -10.394 9.222 1.00 74.40 H new ATOM 0 HD2 TYR A 28 0.806 -8.158 6.403 1.00 11.33 H new ATOM 0 HE1 TYR A 28 2.062 -12.464 8.411 1.00 72.43 H new ATOM 0 HE2 TYR A 28 -0.213 -10.235 5.588 1.00 33.15 H new ATOM 0 HH TYR A 28 -0.502 -12.414 5.959 1.00 52.33 H new ATOM 454 N ARG A 29 2.953 -8.414 11.371 1.00 73.50 N ATOM 455 CA ARG A 29 3.085 -9.408 12.414 1.00 32.14 C ATOM 456 C ARG A 29 2.264 -9.063 13.649 1.00 51.21 C ATOM 457 O ARG A 29 1.655 -9.934 14.257 1.00 3.30 O ATOM 458 CB ARG A 29 4.548 -9.609 12.756 1.00 71.05 C ATOM 459 CG ARG A 29 5.376 -10.083 11.572 1.00 52.23 C ATOM 460 CD ARG A 29 6.817 -10.341 11.957 1.00 4.34 C ATOM 461 NE ARG A 29 6.931 -11.438 12.920 1.00 21.24 N ATOM 462 CZ ARG A 29 8.080 -11.938 13.376 1.00 13.11 C ATOM 463 NH1 ARG A 29 9.240 -11.410 12.993 1.00 3.42 N ATOM 464 NH2 ARG A 29 8.064 -12.961 14.221 1.00 61.23 N ATOM 0 H ARG A 29 3.811 -7.896 11.183 1.00 73.50 H new ATOM 0 HA ARG A 29 2.683 -10.347 12.034 1.00 32.14 H new ATOM 0 HB2 ARG A 29 4.960 -8.671 13.128 1.00 71.05 H new ATOM 0 HB3 ARG A 29 4.630 -10.336 13.564 1.00 71.05 H new ATOM 0 HG2 ARG A 29 4.940 -10.996 11.166 1.00 52.23 H new ATOM 0 HG3 ARG A 29 5.340 -9.334 10.781 1.00 52.23 H new ATOM 0 HD2 ARG A 29 7.395 -10.579 11.064 1.00 4.34 H new ATOM 0 HD3 ARG A 29 7.248 -9.435 12.384 1.00 4.34 H new ATOM 0 HE ARG A 29 6.066 -11.851 13.268 1.00 21.24 H new ATOM 0 HH11 ARG A 29 9.253 -10.620 12.348 1.00 3.42 H new ATOM 0 HH12 ARG A 29 10.117 -11.796 13.344 1.00 3.42 H new ATOM 0 HH21 ARG A 29 7.175 -13.362 14.519 1.00 61.23 H new ATOM 0 HH22 ARG A 29 8.941 -13.346 14.572 1.00 61.23 H new ATOM 478 N ALA A 30 2.220 -7.790 13.996 1.00 25.53 N ATOM 479 CA ALA A 30 1.431 -7.348 15.143 1.00 41.33 C ATOM 480 C ALA A 30 -0.054 -7.671 14.925 1.00 64.12 C ATOM 481 O ALA A 30 -0.775 -8.048 15.853 1.00 4.31 O ATOM 482 CB ALA A 30 1.622 -5.855 15.380 1.00 30.20 C ATOM 0 H ALA A 30 2.716 -7.044 13.507 1.00 25.53 H new ATOM 0 HA ALA A 30 1.777 -7.883 16.027 1.00 41.33 H new ATOM 0 HB1 ALA A 30 1.027 -5.544 16.238 1.00 30.20 H new ATOM 0 HB2 ALA A 30 2.675 -5.649 15.575 1.00 30.20 H new ATOM 0 HB3 ALA A 30 1.302 -5.302 14.497 1.00 30.20 H new ATOM 488 N LEU A 31 -0.487 -7.525 13.696 1.00 15.31 N ATOM 489 CA LEU A 31 -1.857 -7.788 13.319 1.00 25.41 C ATOM 490 C LEU A 31 -2.187 -9.268 13.262 1.00 31.24 C ATOM 491 O LEU A 31 -3.255 -9.675 13.730 1.00 5.20 O ATOM 492 CB LEU A 31 -2.195 -7.074 12.021 1.00 74.21 C ATOM 493 CG LEU A 31 -2.182 -5.556 12.136 1.00 72.21 C ATOM 494 CD1 LEU A 31 -2.239 -4.878 10.791 1.00 44.15 C ATOM 495 CD2 LEU A 31 -3.348 -5.102 12.973 1.00 1.54 C ATOM 0 H LEU A 31 0.104 -7.218 12.923 1.00 15.31 H new ATOM 0 HA LEU A 31 -2.492 -7.384 14.107 1.00 25.41 H new ATOM 0 HB2 LEU A 31 -1.483 -7.377 11.254 1.00 74.21 H new ATOM 0 HB3 LEU A 31 -3.181 -7.396 11.686 1.00 74.21 H new ATOM 0 HG LEU A 31 -1.241 -5.274 12.608 1.00 72.21 H new ATOM 0 HD11 LEU A 31 -2.227 -3.797 10.928 1.00 44.15 H new ATOM 0 HD12 LEU A 31 -1.377 -5.178 10.196 1.00 44.15 H new ATOM 0 HD13 LEU A 31 -3.154 -5.169 10.276 1.00 44.15 H new ATOM 0 HD21 LEU A 31 -3.336 -4.015 13.054 1.00 1.54 H new ATOM 0 HD22 LEU A 31 -4.279 -5.421 12.504 1.00 1.54 H new ATOM 0 HD23 LEU A 31 -3.274 -5.541 13.968 1.00 1.54 H new ATOM 507 N GLU A 32 -1.298 -10.086 12.713 1.00 54.11 N ATOM 508 CA GLU A 32 -1.599 -11.506 12.612 1.00 35.22 C ATOM 509 C GLU A 32 -1.541 -12.231 13.950 1.00 52.24 C ATOM 510 O GLU A 32 -2.350 -13.129 14.209 1.00 13.24 O ATOM 511 CB GLU A 32 -0.894 -12.219 11.429 1.00 40.40 C ATOM 512 CG GLU A 32 0.629 -12.132 11.338 1.00 75.23 C ATOM 513 CD GLU A 32 1.364 -13.041 12.286 1.00 42.44 C ATOM 514 OE1 GLU A 32 1.813 -12.596 13.317 1.00 1.31 O ATOM 515 OE2 GLU A 32 1.511 -14.244 11.977 1.00 33.21 O ATOM 0 H GLU A 32 -0.391 -9.803 12.342 1.00 54.11 H new ATOM 0 HA GLU A 32 -2.651 -11.566 12.334 1.00 35.22 H new ATOM 0 HB2 GLU A 32 -1.166 -13.274 11.466 1.00 40.40 H new ATOM 0 HB3 GLU A 32 -1.306 -11.816 10.504 1.00 40.40 H new ATOM 0 HG2 GLU A 32 0.933 -12.368 10.318 1.00 75.23 H new ATOM 0 HG3 GLU A 32 0.934 -11.103 11.531 1.00 75.23 H new ATOM 522 N GLU A 33 -0.624 -11.818 14.805 1.00 22.14 N ATOM 523 CA GLU A 33 -0.565 -12.321 16.184 1.00 15.23 C ATOM 524 C GLU A 33 -1.833 -11.998 16.961 1.00 14.30 C ATOM 525 O GLU A 33 -2.315 -12.818 17.744 1.00 31.44 O ATOM 526 CB GLU A 33 0.651 -11.779 16.934 1.00 63.11 C ATOM 527 CG GLU A 33 1.961 -12.405 16.528 1.00 33.30 C ATOM 528 CD GLU A 33 2.006 -13.876 16.869 1.00 12.15 C ATOM 529 OE1 GLU A 33 1.653 -14.708 16.025 1.00 23.32 O ATOM 530 OE2 GLU A 33 2.404 -14.221 18.007 1.00 65.52 O ATOM 0 H GLU A 33 0.097 -11.133 14.577 1.00 22.14 H new ATOM 0 HA GLU A 33 -0.473 -13.404 16.109 1.00 15.23 H new ATOM 0 HB2 GLU A 33 0.711 -10.702 16.774 1.00 63.11 H new ATOM 0 HB3 GLU A 33 0.503 -11.935 18.003 1.00 63.11 H new ATOM 0 HG2 GLU A 33 2.110 -12.275 15.456 1.00 33.30 H new ATOM 0 HG3 GLU A 33 2.781 -11.890 17.028 1.00 33.30 H new ATOM 537 N LYS A 34 -2.384 -10.817 16.741 1.00 62.01 N ATOM 538 CA LYS A 34 -3.595 -10.409 17.440 1.00 10.14 C ATOM 539 C LYS A 34 -4.851 -10.933 16.765 1.00 1.41 C ATOM 540 O LYS A 34 -5.947 -10.821 17.307 1.00 34.35 O ATOM 541 CB LYS A 34 -3.664 -8.895 17.601 1.00 12.34 C ATOM 542 CG LYS A 34 -2.610 -8.302 18.521 1.00 10.32 C ATOM 543 CD LYS A 34 -2.777 -8.777 19.965 1.00 31.52 C ATOM 544 CE LYS A 34 -4.072 -8.277 20.594 1.00 11.10 C ATOM 545 NZ LYS A 34 -4.244 -8.784 21.972 1.00 10.33 N ATOM 0 H LYS A 34 -2.016 -10.125 16.088 1.00 62.01 H new ATOM 0 HA LYS A 34 -3.546 -10.856 18.433 1.00 10.14 H new ATOM 0 HB2 LYS A 34 -3.568 -8.435 16.618 1.00 12.34 H new ATOM 0 HB3 LYS A 34 -4.650 -8.629 17.982 1.00 12.34 H new ATOM 0 HG2 LYS A 34 -1.619 -8.577 18.161 1.00 10.32 H new ATOM 0 HG3 LYS A 34 -2.671 -7.214 18.488 1.00 10.32 H new ATOM 0 HD2 LYS A 34 -2.761 -9.867 19.991 1.00 31.52 H new ATOM 0 HD3 LYS A 34 -1.931 -8.432 20.559 1.00 31.52 H new ATOM 0 HE2 LYS A 34 -4.074 -7.187 20.605 1.00 11.10 H new ATOM 0 HE3 LYS A 34 -4.918 -8.591 19.983 1.00 11.10 H new ATOM 0 HZ1 LYS A 34 -5.136 -8.422 22.366 1.00 10.33 H new ATOM 0 HZ2 LYS A 34 -4.268 -9.824 21.959 1.00 10.33 H new ATOM 0 HZ3 LYS A 34 -3.450 -8.463 22.562 1.00 10.33 H new ATOM 559 N GLY A 35 -4.695 -11.490 15.590 1.00 4.25 N ATOM 560 CA GLY A 35 -5.816 -12.070 14.902 1.00 21.31 C ATOM 561 C GLY A 35 -6.645 -11.064 14.133 1.00 74.12 C ATOM 562 O GLY A 35 -7.867 -11.179 14.080 1.00 13.21 O ATOM 0 H GLY A 35 -3.806 -11.553 15.094 1.00 4.25 H new ATOM 0 HA2 GLY A 35 -5.453 -12.832 14.212 1.00 21.31 H new ATOM 0 HA3 GLY A 35 -6.454 -12.575 15.627 1.00 21.31 H new ATOM 566 N TYR A 36 -5.998 -10.073 13.559 1.00 41.13 N ATOM 567 CA TYR A 36 -6.687 -9.113 12.711 1.00 71.24 C ATOM 568 C TYR A 36 -6.302 -9.411 11.284 1.00 23.44 C ATOM 569 O TYR A 36 -5.553 -10.354 11.042 1.00 61.22 O ATOM 570 CB TYR A 36 -6.287 -7.662 13.049 1.00 20.13 C ATOM 571 CG TYR A 36 -6.591 -7.236 14.465 1.00 22.24 C ATOM 572 CD1 TYR A 36 -5.571 -6.984 15.368 1.00 51.22 C ATOM 573 CD2 TYR A 36 -7.902 -7.100 14.901 1.00 13.12 C ATOM 574 CE1 TYR A 36 -5.849 -6.604 16.671 1.00 54.34 C ATOM 575 CE2 TYR A 36 -8.186 -6.719 16.196 1.00 0.21 C ATOM 576 CZ TYR A 36 -7.160 -6.474 17.075 1.00 11.33 C ATOM 577 OH TYR A 36 -7.447 -6.105 18.377 1.00 12.45 O ATOM 0 H TYR A 36 -4.997 -9.907 13.661 1.00 41.13 H new ATOM 0 HA TYR A 36 -7.762 -9.203 12.868 1.00 71.24 H new ATOM 0 HB2 TYR A 36 -5.218 -7.543 12.870 1.00 20.13 H new ATOM 0 HB3 TYR A 36 -6.802 -6.989 12.363 1.00 20.13 H new ATOM 0 HD1 TYR A 36 -4.543 -7.085 15.051 1.00 51.22 H new ATOM 0 HD2 TYR A 36 -8.713 -7.296 14.215 1.00 13.12 H new ATOM 0 HE1 TYR A 36 -5.044 -6.411 17.365 1.00 54.34 H new ATOM 0 HE2 TYR A 36 -9.212 -6.614 16.517 1.00 0.21 H new ATOM 0 HH TYR A 36 -8.418 -6.058 18.497 1.00 12.45 H new ATOM 587 N ASN A 37 -6.800 -8.637 10.344 1.00 40.13 N ATOM 588 CA ASN A 37 -6.396 -8.805 8.953 1.00 63.32 C ATOM 589 C ASN A 37 -5.383 -7.735 8.614 1.00 33.43 C ATOM 590 O ASN A 37 -5.769 -6.596 8.330 1.00 14.15 O ATOM 591 CB ASN A 37 -7.579 -8.698 7.972 1.00 34.41 C ATOM 592 CG ASN A 37 -8.666 -9.716 8.202 1.00 20.12 C ATOM 593 OD1 ASN A 37 -9.617 -9.460 8.941 1.00 0.03 O ATOM 594 ND2 ASN A 37 -8.548 -10.862 7.581 1.00 51.41 N ATOM 0 H ASN A 37 -7.477 -7.892 10.508 1.00 40.13 H new ATOM 0 HA ASN A 37 -5.976 -9.805 8.849 1.00 63.32 H new ATOM 0 HB2 ASN A 37 -8.010 -7.700 8.047 1.00 34.41 H new ATOM 0 HB3 ASN A 37 -7.204 -8.807 6.954 1.00 34.41 H new ATOM 0 HD21 ASN A 37 -9.260 -11.583 7.701 1.00 51.41 H new ATOM 0 HD22 ASN A 37 -7.744 -11.034 6.977 1.00 51.41 H new ATOM 601 N PRO A 38 -4.063 -8.069 8.684 1.00 11.14 N ATOM 602 CA PRO A 38 -2.972 -7.131 8.431 1.00 31.14 C ATOM 603 C PRO A 38 -3.178 -6.238 7.224 1.00 33.25 C ATOM 604 O PRO A 38 -2.921 -5.044 7.275 1.00 34.11 O ATOM 605 CB PRO A 38 -1.791 -8.042 8.169 1.00 2.02 C ATOM 606 CG PRO A 38 -2.050 -9.251 8.982 1.00 45.32 C ATOM 607 CD PRO A 38 -3.537 -9.399 9.068 1.00 23.35 C ATOM 0 HA PRO A 38 -2.864 -6.442 9.269 1.00 31.14 H new ATOM 0 HB2 PRO A 38 -1.710 -8.289 7.110 1.00 2.02 H new ATOM 0 HB3 PRO A 38 -0.854 -7.566 8.458 1.00 2.02 H new ATOM 0 HG2 PRO A 38 -1.599 -10.131 8.522 1.00 45.32 H new ATOM 0 HG3 PRO A 38 -1.613 -9.151 9.975 1.00 45.32 H new ATOM 0 HD2 PRO A 38 -3.898 -10.178 8.397 1.00 23.35 H new ATOM 0 HD3 PRO A 38 -3.851 -9.675 10.075 1.00 23.35 H new ATOM 615 N ILE A 39 -3.689 -6.808 6.174 1.00 55.50 N ATOM 616 CA ILE A 39 -3.824 -6.104 4.931 1.00 12.13 C ATOM 617 C ILE A 39 -4.932 -5.068 5.004 1.00 21.20 C ATOM 618 O ILE A 39 -4.724 -3.917 4.643 1.00 61.44 O ATOM 619 CB ILE A 39 -4.082 -7.087 3.778 1.00 40.21 C ATOM 620 CG1 ILE A 39 -3.008 -8.192 3.794 1.00 0.25 C ATOM 621 CG2 ILE A 39 -4.098 -6.358 2.436 1.00 3.44 C ATOM 622 CD1 ILE A 39 -1.573 -7.682 3.727 1.00 22.21 C ATOM 0 H ILE A 39 -4.024 -7.771 6.153 1.00 55.50 H new ATOM 0 HA ILE A 39 -2.887 -5.581 4.739 1.00 12.13 H new ATOM 0 HB ILE A 39 -5.062 -7.545 3.913 1.00 40.21 H new ATOM 0 HG12 ILE A 39 -3.128 -8.784 4.702 1.00 0.25 H new ATOM 0 HG13 ILE A 39 -3.182 -8.862 2.952 1.00 0.25 H new ATOM 0 HG21 ILE A 39 -4.282 -7.074 1.635 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -4.888 -5.606 2.440 1.00 3.44 H new ATOM 0 HG23 ILE A 39 -3.136 -5.872 2.274 1.00 3.44 H new ATOM 0 HD11 ILE A 39 -0.885 -8.527 3.743 1.00 22.21 H new ATOM 0 HD12 ILE A 39 -1.431 -7.116 2.806 1.00 22.21 H new ATOM 0 HD13 ILE A 39 -1.376 -7.037 4.583 1.00 22.21 H new ATOM 634 N ASN A 40 -6.085 -5.478 5.520 1.00 31.22 N ATOM 635 CA ASN A 40 -7.256 -4.596 5.649 1.00 60.31 C ATOM 636 C ASN A 40 -6.942 -3.404 6.530 1.00 50.23 C ATOM 637 O ASN A 40 -7.429 -2.294 6.297 1.00 33.05 O ATOM 638 CB ASN A 40 -8.480 -5.344 6.231 1.00 52.44 C ATOM 639 CG ASN A 40 -9.001 -6.477 5.355 1.00 41.20 C ATOM 640 OD1 ASN A 40 -8.252 -7.115 4.618 1.00 12.53 O ATOM 641 ND2 ASN A 40 -10.284 -6.744 5.441 1.00 54.14 N ATOM 0 H ASN A 40 -6.242 -6.426 5.862 1.00 31.22 H new ATOM 0 HA ASN A 40 -7.501 -4.254 4.644 1.00 60.31 H new ATOM 0 HB2 ASN A 40 -8.212 -5.749 7.207 1.00 52.44 H new ATOM 0 HB3 ASN A 40 -9.285 -4.627 6.393 1.00 52.44 H new ATOM 0 HD21 ASN A 40 -10.686 -7.500 4.886 1.00 54.14 H new ATOM 0 HD22 ASN A 40 -10.879 -6.196 6.062 1.00 54.14 H new ATOM 648 N GLN A 41 -6.120 -3.626 7.533 1.00 12.43 N ATOM 649 CA GLN A 41 -5.766 -2.571 8.454 1.00 51.44 C ATOM 650 C GLN A 41 -4.810 -1.581 7.792 1.00 71.40 C ATOM 651 O GLN A 41 -4.956 -0.378 7.956 1.00 44.20 O ATOM 652 CB GLN A 41 -5.135 -3.138 9.722 1.00 33.34 C ATOM 653 CG GLN A 41 -5.950 -4.242 10.395 1.00 42.23 C ATOM 654 CD GLN A 41 -7.361 -3.838 10.787 1.00 50.35 C ATOM 655 OE1 GLN A 41 -7.555 -2.596 11.154 1.00 31.54 O flip ATOM 656 NE2 GLN A 41 -8.264 -4.666 10.789 1.00 63.14 N flip ATOM 0 H GLN A 41 -5.685 -4.527 7.730 1.00 12.43 H new ATOM 0 HA GLN A 41 -6.682 -2.048 8.730 1.00 51.44 H new ATOM 0 HB2 GLN A 41 -4.148 -3.530 9.478 1.00 33.34 H new ATOM 0 HB3 GLN A 41 -4.988 -2.326 10.434 1.00 33.34 H new ATOM 0 HG2 GLN A 41 -6.005 -5.097 9.721 1.00 42.23 H new ATOM 0 HG3 GLN A 41 -5.420 -4.574 11.288 1.00 42.23 H new ATOM 0 HE21 GLN A 41 -8.077 -5.625 10.497 1.00 63.14 H new ATOM 0 HE22 GLN A 41 -9.203 -4.396 11.083 1.00 63.14 H new ATOM 665 N ILE A 42 -3.841 -2.098 7.034 1.00 33.03 N ATOM 666 CA ILE A 42 -2.863 -1.245 6.362 1.00 34.33 C ATOM 667 C ILE A 42 -3.506 -0.444 5.226 1.00 35.12 C ATOM 668 O ILE A 42 -3.345 0.778 5.169 1.00 41.21 O ATOM 669 CB ILE A 42 -1.621 -2.039 5.848 1.00 1.41 C ATOM 670 CG1 ILE A 42 -0.886 -2.697 7.030 1.00 65.42 C ATOM 671 CG2 ILE A 42 -0.667 -1.114 5.074 1.00 24.25 C ATOM 672 CD1 ILE A 42 0.315 -3.538 6.632 1.00 71.24 C ATOM 0 H ILE A 42 -3.714 -3.097 6.872 1.00 33.03 H new ATOM 0 HA ILE A 42 -2.502 -0.544 7.114 1.00 34.33 H new ATOM 0 HB ILE A 42 -1.966 -2.819 5.170 1.00 1.41 H new ATOM 0 HG12 ILE A 42 -0.557 -1.917 7.717 1.00 65.42 H new ATOM 0 HG13 ILE A 42 -1.590 -3.326 7.575 1.00 65.42 H new ATOM 0 HG21 ILE A 42 0.192 -1.687 4.725 1.00 24.25 H new ATOM 0 HG22 ILE A 42 -1.190 -0.686 4.219 1.00 24.25 H new ATOM 0 HG23 ILE A 42 -0.326 -0.313 5.729 1.00 24.25 H new ATOM 0 HD11 ILE A 42 0.773 -3.964 7.525 1.00 71.24 H new ATOM 0 HD12 ILE A 42 -0.007 -4.342 5.971 1.00 71.24 H new ATOM 0 HD13 ILE A 42 1.042 -2.912 6.115 1.00 71.24 H new ATOM 684 N VAL A 43 -4.259 -1.117 4.347 1.00 14.31 N ATOM 685 CA VAL A 43 -4.925 -0.416 3.239 1.00 11.52 C ATOM 686 C VAL A 43 -5.868 0.668 3.789 1.00 33.22 C ATOM 687 O VAL A 43 -5.926 1.788 3.263 1.00 52.41 O ATOM 688 CB VAL A 43 -5.664 -1.393 2.235 1.00 54.23 C ATOM 689 CG1 VAL A 43 -6.702 -2.249 2.936 1.00 53.54 C ATOM 690 CG2 VAL A 43 -6.328 -0.619 1.101 1.00 33.32 C ATOM 0 H VAL A 43 -4.421 -2.124 4.377 1.00 14.31 H new ATOM 0 HA VAL A 43 -4.147 0.067 2.647 1.00 11.52 H new ATOM 0 HB VAL A 43 -4.898 -2.050 1.822 1.00 54.23 H new ATOM 0 HG11 VAL A 43 -7.184 -2.904 2.210 1.00 53.54 H new ATOM 0 HG12 VAL A 43 -6.218 -2.853 3.704 1.00 53.54 H new ATOM 0 HG13 VAL A 43 -7.451 -1.607 3.399 1.00 53.54 H new ATOM 0 HG21 VAL A 43 -6.827 -1.316 0.428 1.00 33.32 H new ATOM 0 HG22 VAL A 43 -7.061 0.074 1.514 1.00 33.32 H new ATOM 0 HG23 VAL A 43 -5.571 -0.061 0.549 1.00 33.32 H new ATOM 700 N GLY A 44 -6.547 0.342 4.888 1.00 51.22 N ATOM 701 CA GLY A 44 -7.415 1.292 5.535 1.00 1.53 C ATOM 702 C GLY A 44 -6.631 2.440 6.138 1.00 33.04 C ATOM 703 O GLY A 44 -7.022 3.597 6.014 1.00 22.13 O ATOM 0 H GLY A 44 -6.505 -0.572 5.338 1.00 51.22 H new ATOM 0 HA2 GLY A 44 -8.133 1.680 4.813 1.00 1.53 H new ATOM 0 HA3 GLY A 44 -7.987 0.791 6.316 1.00 1.53 H new ATOM 707 N TYR A 45 -5.503 2.124 6.776 1.00 44.12 N ATOM 708 CA TYR A 45 -4.660 3.137 7.405 1.00 54.11 C ATOM 709 C TYR A 45 -4.194 4.176 6.416 1.00 24.12 C ATOM 710 O TYR A 45 -4.343 5.357 6.659 1.00 55.23 O ATOM 711 CB TYR A 45 -3.437 2.535 8.130 1.00 41.53 C ATOM 712 CG TYR A 45 -2.531 3.605 8.742 1.00 54.32 C ATOM 713 CD1 TYR A 45 -1.421 4.098 8.055 1.00 63.45 C ATOM 714 CD2 TYR A 45 -2.802 4.134 9.984 1.00 5.41 C ATOM 715 CE1 TYR A 45 -0.622 5.078 8.597 1.00 22.24 C ATOM 716 CE2 TYR A 45 -2.001 5.114 10.533 1.00 61.44 C ATOM 717 CZ TYR A 45 -0.918 5.581 9.838 1.00 73.12 C ATOM 718 OH TYR A 45 -0.127 6.556 10.389 1.00 40.10 O ATOM 0 H TYR A 45 -5.153 1.171 6.870 1.00 44.12 H new ATOM 0 HA TYR A 45 -5.294 3.615 8.152 1.00 54.11 H new ATOM 0 HB2 TYR A 45 -3.780 1.862 8.916 1.00 41.53 H new ATOM 0 HB3 TYR A 45 -2.860 1.935 7.426 1.00 41.53 H new ATOM 0 HD1 TYR A 45 -1.184 3.702 7.078 1.00 63.45 H new ATOM 0 HD2 TYR A 45 -3.657 3.775 10.538 1.00 5.41 H new ATOM 0 HE1 TYR A 45 0.232 5.448 8.049 1.00 22.24 H new ATOM 0 HE2 TYR A 45 -2.228 5.513 11.511 1.00 61.44 H new ATOM 0 HH TYR A 45 0.791 6.223 10.475 1.00 40.10 H new ATOM 728 N LEU A 46 -3.629 3.750 5.314 1.00 24.02 N ATOM 729 CA LEU A 46 -3.110 4.702 4.353 1.00 1.22 C ATOM 730 C LEU A 46 -4.196 5.508 3.666 1.00 23.02 C ATOM 731 O LEU A 46 -4.003 6.674 3.382 1.00 54.30 O ATOM 732 CB LEU A 46 -2.117 4.104 3.337 1.00 72.44 C ATOM 733 CG LEU A 46 -0.732 3.651 3.868 1.00 2.12 C ATOM 734 CD1 LEU A 46 -0.817 2.442 4.762 1.00 65.40 C ATOM 735 CD2 LEU A 46 0.216 3.405 2.724 1.00 73.33 C ATOM 0 H LEU A 46 -3.516 2.769 5.059 1.00 24.02 H new ATOM 0 HA LEU A 46 -2.529 5.396 4.960 1.00 1.22 H new ATOM 0 HB2 LEU A 46 -2.594 3.244 2.867 1.00 72.44 H new ATOM 0 HB3 LEU A 46 -1.951 4.844 2.554 1.00 72.44 H new ATOM 0 HG LEU A 46 -0.346 4.465 4.482 1.00 2.12 H new ATOM 0 HD11 LEU A 46 0.182 2.171 5.103 1.00 65.40 H new ATOM 0 HD12 LEU A 46 -1.445 2.670 5.623 1.00 65.40 H new ATOM 0 HD13 LEU A 46 -1.249 1.609 4.207 1.00 65.40 H new ATOM 0 HD21 LEU A 46 1.183 3.088 3.115 1.00 73.33 H new ATOM 0 HD22 LEU A 46 -0.188 2.625 2.078 1.00 73.33 H new ATOM 0 HD23 LEU A 46 0.340 4.323 2.150 1.00 73.33 H new ATOM 747 N LEU A 47 -5.335 4.900 3.413 1.00 54.43 N ATOM 748 CA LEU A 47 -6.416 5.616 2.754 1.00 43.12 C ATOM 749 C LEU A 47 -7.188 6.536 3.716 1.00 40.20 C ATOM 750 O LEU A 47 -7.730 7.553 3.299 1.00 72.02 O ATOM 751 CB LEU A 47 -7.371 4.651 2.035 1.00 12.15 C ATOM 752 CG LEU A 47 -6.771 3.821 0.887 1.00 21.24 C ATOM 753 CD1 LEU A 47 -7.821 2.900 0.292 1.00 72.24 C ATOM 754 CD2 LEU A 47 -6.190 4.729 -0.195 1.00 45.20 C ATOM 0 H LEU A 47 -5.539 3.928 3.647 1.00 54.43 H new ATOM 0 HA LEU A 47 -5.950 6.257 2.006 1.00 43.12 H new ATOM 0 HB2 LEU A 47 -7.782 3.964 2.774 1.00 12.15 H new ATOM 0 HB3 LEU A 47 -8.206 5.229 1.638 1.00 12.15 H new ATOM 0 HG LEU A 47 -5.963 3.213 1.295 1.00 21.24 H new ATOM 0 HD11 LEU A 47 -7.379 2.320 -0.519 1.00 72.24 H new ATOM 0 HD12 LEU A 47 -8.190 2.223 1.063 1.00 72.24 H new ATOM 0 HD13 LEU A 47 -8.648 3.494 -0.096 1.00 72.24 H new ATOM 0 HD21 LEU A 47 -5.772 4.119 -0.996 1.00 45.20 H new ATOM 0 HD22 LEU A 47 -6.978 5.366 -0.597 1.00 45.20 H new ATOM 0 HD23 LEU A 47 -5.405 5.351 0.235 1.00 45.20 H new ATOM 766 N SER A 48 -7.227 6.192 4.989 1.00 41.31 N ATOM 767 CA SER A 48 -7.983 6.981 5.951 1.00 61.20 C ATOM 768 C SER A 48 -7.084 7.884 6.821 1.00 54.22 C ATOM 769 O SER A 48 -7.546 8.915 7.317 1.00 71.13 O ATOM 770 CB SER A 48 -8.833 6.043 6.834 1.00 61.14 C ATOM 771 OG SER A 48 -9.629 6.753 7.779 1.00 43.53 O ATOM 0 H SER A 48 -6.750 5.380 5.381 1.00 41.31 H new ATOM 0 HA SER A 48 -8.635 7.649 5.389 1.00 61.20 H new ATOM 0 HB2 SER A 48 -9.481 5.440 6.198 1.00 61.14 H new ATOM 0 HB3 SER A 48 -8.175 5.354 7.363 1.00 61.14 H new ATOM 0 HG SER A 48 -10.149 6.116 8.312 1.00 43.53 H new ATOM 777 N GLY A 49 -5.816 7.514 6.991 1.00 71.14 N ATOM 778 CA GLY A 49 -4.927 8.283 7.840 1.00 35.54 C ATOM 779 C GLY A 49 -5.353 8.185 9.287 1.00 45.33 C ATOM 780 O GLY A 49 -5.421 9.189 9.997 1.00 34.14 O ATOM 0 H GLY A 49 -5.391 6.696 6.555 1.00 71.14 H new ATOM 0 HA2 GLY A 49 -3.906 7.918 7.731 1.00 35.54 H new ATOM 0 HA3 GLY A 49 -4.928 9.327 7.525 1.00 35.54 H new ATOM 784 N ASP A 50 -5.644 6.975 9.724 1.00 44.12 N ATOM 785 CA ASP A 50 -6.178 6.766 11.058 1.00 3.52 C ATOM 786 C ASP A 50 -5.368 5.722 11.838 1.00 73.34 C ATOM 787 O ASP A 50 -5.352 4.552 11.487 1.00 30.02 O ATOM 788 CB ASP A 50 -7.640 6.352 10.955 1.00 31.31 C ATOM 789 CG ASP A 50 -8.303 6.196 12.290 1.00 62.34 C ATOM 790 OD1 ASP A 50 -8.417 5.068 12.769 1.00 31.43 O ATOM 791 OD2 ASP A 50 -8.743 7.224 12.876 1.00 45.35 O ATOM 0 H ASP A 50 -5.520 6.123 9.177 1.00 44.12 H new ATOM 0 HA ASP A 50 -6.104 7.702 11.612 1.00 3.52 H new ATOM 0 HB2 ASP A 50 -8.182 7.097 10.372 1.00 31.31 H new ATOM 0 HB3 ASP A 50 -7.707 5.410 10.411 1.00 31.31 H new ATOM 796 N PRO A 51 -4.683 6.151 12.911 1.00 63.14 N ATOM 797 CA PRO A 51 -3.819 5.282 13.741 1.00 73.05 C ATOM 798 C PRO A 51 -4.576 4.172 14.486 1.00 62.42 C ATOM 799 O PRO A 51 -3.981 3.148 14.856 1.00 71.43 O ATOM 800 CB PRO A 51 -3.147 6.252 14.722 1.00 64.02 C ATOM 801 CG PRO A 51 -4.053 7.430 14.771 1.00 51.14 C ATOM 802 CD PRO A 51 -4.682 7.540 13.411 1.00 61.01 C ATOM 0 HA PRO A 51 -3.113 4.733 13.118 1.00 73.05 H new ATOM 0 HB2 PRO A 51 -3.031 5.801 15.707 1.00 64.02 H new ATOM 0 HB3 PRO A 51 -2.151 6.533 14.381 1.00 64.02 H new ATOM 0 HG2 PRO A 51 -4.814 7.303 15.541 1.00 51.14 H new ATOM 0 HG3 PRO A 51 -3.499 8.336 15.017 1.00 51.14 H new ATOM 0 HD2 PRO A 51 -5.692 7.945 13.469 1.00 61.01 H new ATOM 0 HD3 PRO A 51 -4.111 8.200 12.758 1.00 61.01 H new ATOM 810 N ALA A 52 -5.876 4.378 14.706 1.00 23.50 N ATOM 811 CA ALA A 52 -6.719 3.438 15.463 1.00 40.42 C ATOM 812 C ALA A 52 -6.755 2.028 14.845 1.00 12.43 C ATOM 813 O ALA A 52 -7.156 1.061 15.505 1.00 73.15 O ATOM 814 CB ALA A 52 -8.128 3.993 15.611 1.00 44.33 C ATOM 0 H ALA A 52 -6.378 5.199 14.367 1.00 23.50 H new ATOM 0 HA ALA A 52 -6.265 3.332 16.448 1.00 40.42 H new ATOM 0 HB1 ALA A 52 -8.740 3.287 16.173 1.00 44.33 H new ATOM 0 HB2 ALA A 52 -8.091 4.944 16.142 1.00 44.33 H new ATOM 0 HB3 ALA A 52 -8.564 4.146 14.624 1.00 44.33 H new ATOM 820 N TYR A 53 -6.341 1.913 13.594 1.00 1.12 N ATOM 821 CA TYR A 53 -6.272 0.626 12.927 1.00 44.52 C ATOM 822 C TYR A 53 -5.209 -0.304 13.528 1.00 63.21 C ATOM 823 O TYR A 53 -5.368 -1.527 13.505 1.00 64.13 O ATOM 824 CB TYR A 53 -6.010 0.788 11.426 1.00 61.33 C ATOM 825 CG TYR A 53 -7.179 1.337 10.668 1.00 42.13 C ATOM 826 CD1 TYR A 53 -8.322 0.590 10.545 1.00 2.13 C ATOM 827 CD2 TYR A 53 -7.148 2.587 10.084 1.00 13.10 C ATOM 828 CE1 TYR A 53 -9.407 1.055 9.869 1.00 41.40 C ATOM 829 CE2 TYR A 53 -8.238 3.072 9.391 1.00 43.22 C ATOM 830 CZ TYR A 53 -9.367 2.300 9.287 1.00 1.21 C ATOM 831 OH TYR A 53 -10.459 2.769 8.591 1.00 42.04 O ATOM 0 H TYR A 53 -6.046 2.701 13.018 1.00 1.12 H new ATOM 0 HA TYR A 53 -7.247 0.164 13.080 1.00 44.52 H new ATOM 0 HB2 TYR A 53 -5.154 1.448 11.284 1.00 61.33 H new ATOM 0 HB3 TYR A 53 -5.739 -0.181 11.007 1.00 61.33 H new ATOM 0 HD1 TYR A 53 -8.362 -0.391 10.995 1.00 2.13 H new ATOM 0 HD2 TYR A 53 -6.259 3.194 10.171 1.00 13.10 H new ATOM 0 HE1 TYR A 53 -10.297 0.448 9.790 1.00 41.40 H new ATOM 0 HE2 TYR A 53 -8.203 4.050 8.935 1.00 43.22 H new ATOM 0 HH TYR A 53 -10.266 3.665 8.244 1.00 42.04 H new ATOM 841 N ILE A 54 -4.148 0.263 14.090 1.00 1.22 N ATOM 842 CA ILE A 54 -3.027 -0.554 14.557 1.00 72.52 C ATOM 843 C ILE A 54 -3.061 -0.771 16.087 1.00 5.44 C ATOM 844 O ILE A 54 -3.184 0.192 16.866 1.00 34.52 O ATOM 845 CB ILE A 54 -1.650 0.055 14.120 1.00 34.13 C ATOM 846 CG1 ILE A 54 -1.644 0.321 12.600 1.00 60.34 C ATOM 847 CG2 ILE A 54 -0.489 -0.876 14.491 1.00 61.24 C ATOM 848 CD1 ILE A 54 -1.927 -0.903 11.738 1.00 22.33 C ATOM 0 H ILE A 54 -4.037 1.267 14.233 1.00 1.22 H new ATOM 0 HA ILE A 54 -3.136 -1.529 14.083 1.00 72.52 H new ATOM 0 HB ILE A 54 -1.516 0.997 14.652 1.00 34.13 H new ATOM 0 HG12 ILE A 54 -2.387 1.086 12.376 1.00 60.34 H new ATOM 0 HG13 ILE A 54 -0.673 0.729 12.320 1.00 60.34 H new ATOM 0 HG21 ILE A 54 0.453 -0.427 14.175 1.00 61.24 H new ATOM 0 HG22 ILE A 54 -0.475 -1.028 15.570 1.00 61.24 H new ATOM 0 HG23 ILE A 54 -0.619 -1.836 13.991 1.00 61.24 H new ATOM 0 HD11 ILE A 54 -1.902 -0.620 10.686 1.00 22.33 H new ATOM 0 HD12 ILE A 54 -1.170 -1.664 11.927 1.00 22.33 H new ATOM 0 HD13 ILE A 54 -2.911 -1.301 11.984 1.00 22.33 H new ATOM 860 N PRO A 55 -2.969 -2.052 16.522 1.00 10.40 N ATOM 861 CA PRO A 55 -2.973 -2.435 17.935 1.00 54.32 C ATOM 862 C PRO A 55 -1.683 -2.038 18.654 1.00 33.04 C ATOM 863 O PRO A 55 -0.652 -1.765 18.030 1.00 65.14 O ATOM 864 CB PRO A 55 -3.106 -3.960 17.889 1.00 0.05 C ATOM 865 CG PRO A 55 -2.505 -4.339 16.598 1.00 21.04 C ATOM 866 CD PRO A 55 -2.859 -3.233 15.654 1.00 33.12 C ATOM 0 HA PRO A 55 -3.770 -1.937 18.486 1.00 54.32 H new ATOM 0 HB2 PRO A 55 -2.585 -4.430 18.723 1.00 0.05 H new ATOM 0 HB3 PRO A 55 -4.149 -4.270 17.949 1.00 0.05 H new ATOM 0 HG2 PRO A 55 -1.424 -4.450 16.685 1.00 21.04 H new ATOM 0 HG3 PRO A 55 -2.896 -5.294 16.248 1.00 21.04 H new ATOM 0 HD2 PRO A 55 -2.093 -3.098 14.891 1.00 33.12 H new ATOM 0 HD3 PRO A 55 -3.795 -3.436 15.134 1.00 33.12 H new ATOM 874 N ARG A 56 -1.737 -2.042 19.967 1.00 64.53 N ATOM 875 CA ARG A 56 -0.625 -1.609 20.796 1.00 1.51 C ATOM 876 C ARG A 56 0.211 -2.791 21.230 1.00 52.14 C ATOM 877 O ARG A 56 1.093 -2.654 22.071 1.00 2.44 O ATOM 878 CB ARG A 56 -1.109 -0.850 22.045 1.00 33.13 C ATOM 879 CG ARG A 56 -1.832 0.483 21.812 1.00 22.41 C ATOM 880 CD ARG A 56 -3.174 0.346 21.089 1.00 54.24 C ATOM 881 NE ARG A 56 -3.833 1.646 20.946 1.00 14.04 N ATOM 882 CZ ARG A 56 -4.964 1.891 20.270 1.00 61.11 C ATOM 883 NH1 ARG A 56 -5.617 0.907 19.635 1.00 52.21 N ATOM 884 NH2 ARG A 56 -5.438 3.125 20.237 1.00 74.43 N ATOM 0 H ARG A 56 -2.555 -2.346 20.496 1.00 64.53 H new ATOM 0 HA ARG A 56 -0.020 -0.935 20.190 1.00 1.51 H new ATOM 0 HB2 ARG A 56 -1.778 -1.506 22.602 1.00 33.13 H new ATOM 0 HB3 ARG A 56 -0.245 -0.660 22.682 1.00 33.13 H new ATOM 0 HG2 ARG A 56 -1.997 0.968 22.774 1.00 22.41 H new ATOM 0 HG3 ARG A 56 -1.184 1.139 21.232 1.00 22.41 H new ATOM 0 HD2 ARG A 56 -3.017 -0.095 20.105 1.00 54.24 H new ATOM 0 HD3 ARG A 56 -3.821 -0.334 21.643 1.00 54.24 H new ATOM 0 HE ARG A 56 -3.389 2.441 21.405 1.00 14.04 H new ATOM 0 HH11 ARG A 56 -5.254 -0.046 19.662 1.00 52.21 H new ATOM 0 HH12 ARG A 56 -6.477 1.111 19.125 1.00 52.21 H new ATOM 0 HH21 ARG A 56 -4.944 3.874 20.722 1.00 74.43 H new ATOM 0 HH22 ARG A 56 -6.298 3.328 19.727 1.00 74.43 H new ATOM 898 N TYR A 57 -0.063 -3.935 20.646 1.00 44.01 N ATOM 899 CA TYR A 57 0.630 -5.177 20.958 1.00 62.45 C ATOM 900 C TYR A 57 2.148 -5.050 20.777 1.00 20.35 C ATOM 901 O TYR A 57 2.919 -5.608 21.550 1.00 13.12 O ATOM 902 CB TYR A 57 0.061 -6.305 20.094 1.00 74.13 C ATOM 903 CG TYR A 57 0.642 -7.678 20.354 1.00 54.31 C ATOM 904 CD1 TYR A 57 0.511 -8.286 21.595 1.00 20.32 C ATOM 905 CD2 TYR A 57 1.292 -8.381 19.348 1.00 3.14 C ATOM 906 CE1 TYR A 57 1.010 -9.549 21.827 1.00 41.13 C ATOM 907 CE2 TYR A 57 1.798 -9.646 19.577 1.00 3.14 C ATOM 908 CZ TYR A 57 1.653 -10.223 20.819 1.00 52.22 C ATOM 909 OH TYR A 57 2.138 -11.490 21.050 1.00 10.14 O ATOM 0 H TYR A 57 -0.782 -4.037 19.930 1.00 44.01 H new ATOM 0 HA TYR A 57 0.464 -5.410 22.010 1.00 62.45 H new ATOM 0 HB2 TYR A 57 -1.017 -6.350 20.249 1.00 74.13 H new ATOM 0 HB3 TYR A 57 0.222 -6.053 19.046 1.00 74.13 H new ATOM 0 HD1 TYR A 57 0.009 -7.759 22.393 1.00 20.32 H new ATOM 0 HD2 TYR A 57 1.404 -7.932 18.372 1.00 3.14 H new ATOM 0 HE1 TYR A 57 0.896 -10.007 22.798 1.00 41.13 H new ATOM 0 HE2 TYR A 57 2.305 -10.179 18.786 1.00 3.14 H new ATOM 0 HH TYR A 57 2.565 -11.830 20.236 1.00 10.14 H new ATOM 919 N GLN A 58 2.567 -4.304 19.774 1.00 61.30 N ATOM 920 CA GLN A 58 3.976 -4.105 19.525 1.00 34.05 C ATOM 921 C GLN A 58 4.255 -2.656 19.183 1.00 72.11 C ATOM 922 O GLN A 58 3.323 -1.861 18.973 1.00 31.33 O ATOM 923 CB GLN A 58 4.498 -5.026 18.407 1.00 41.02 C ATOM 924 CG GLN A 58 4.358 -6.508 18.710 1.00 41.31 C ATOM 925 CD GLN A 58 4.939 -7.396 17.635 1.00 20.42 C ATOM 926 OE1 GLN A 58 4.975 -7.038 16.460 1.00 50.11 O ATOM 927 NE2 GLN A 58 5.384 -8.563 18.029 1.00 60.42 N ATOM 0 H GLN A 58 1.949 -3.826 19.119 1.00 61.30 H new ATOM 0 HA GLN A 58 4.507 -4.364 20.441 1.00 34.05 H new ATOM 0 HB2 GLN A 58 3.961 -4.802 17.486 1.00 41.02 H new ATOM 0 HB3 GLN A 58 5.549 -4.801 18.226 1.00 41.02 H new ATOM 0 HG2 GLN A 58 4.851 -6.726 19.657 1.00 41.31 H new ATOM 0 HG3 GLN A 58 3.302 -6.747 18.838 1.00 41.31 H new ATOM 0 HE21 GLN A 58 5.335 -8.821 19.015 1.00 60.42 H new ATOM 0 HE22 GLN A 58 5.779 -9.214 17.350 1.00 60.42 H new ATOM 936 N ASP A 59 5.534 -2.338 19.085 1.00 1.15 N ATOM 937 CA ASP A 59 6.042 -0.986 18.792 1.00 1.20 C ATOM 938 C ASP A 59 5.628 -0.477 17.414 1.00 54.33 C ATOM 939 O ASP A 59 5.771 0.718 17.112 1.00 22.30 O ATOM 940 CB ASP A 59 7.572 -0.912 18.976 1.00 0.43 C ATOM 941 CG ASP A 59 8.362 -1.888 18.114 1.00 15.45 C ATOM 942 OD1 ASP A 59 8.452 -3.087 18.482 1.00 22.14 O ATOM 943 OD2 ASP A 59 8.945 -1.469 17.110 1.00 13.53 O ATOM 0 H ASP A 59 6.278 -3.024 19.209 1.00 1.15 H new ATOM 0 HA ASP A 59 5.575 -0.320 19.518 1.00 1.20 H new ATOM 0 HB2 ASP A 59 7.903 0.102 18.751 1.00 0.43 H new ATOM 0 HB3 ASP A 59 7.808 -1.099 20.023 1.00 0.43 H new ATOM 948 N ALA A 60 5.111 -1.384 16.595 1.00 35.14 N ATOM 949 CA ALA A 60 4.642 -1.092 15.235 1.00 55.33 C ATOM 950 C ALA A 60 3.701 0.119 15.186 1.00 70.22 C ATOM 951 O ALA A 60 3.768 0.915 14.253 1.00 65.10 O ATOM 952 CB ALA A 60 3.943 -2.310 14.662 1.00 2.12 C ATOM 0 H ALA A 60 5.001 -2.364 16.857 1.00 35.14 H new ATOM 0 HA ALA A 60 5.518 -0.845 14.635 1.00 55.33 H new ATOM 0 HB1 ALA A 60 3.596 -2.089 13.652 1.00 2.12 H new ATOM 0 HB2 ALA A 60 4.639 -3.148 14.631 1.00 2.12 H new ATOM 0 HB3 ALA A 60 3.090 -2.569 15.290 1.00 2.12 H new ATOM 958 N ARG A 61 2.835 0.257 16.197 1.00 4.43 N ATOM 959 CA ARG A 61 1.907 1.378 16.263 1.00 52.22 C ATOM 960 C ARG A 61 2.605 2.740 16.325 1.00 71.31 C ATOM 961 O ARG A 61 2.106 3.716 15.785 1.00 61.31 O ATOM 962 CB ARG A 61 0.811 1.185 17.352 1.00 13.35 C ATOM 963 CG ARG A 61 1.281 0.884 18.786 1.00 15.20 C ATOM 964 CD ARG A 61 1.989 2.044 19.455 1.00 5.30 C ATOM 965 NE ARG A 61 2.412 1.711 20.814 1.00 20.42 N ATOM 966 CZ ARG A 61 2.273 2.507 21.879 1.00 44.11 C ATOM 967 NH1 ARG A 61 1.594 3.649 21.785 1.00 61.35 N ATOM 968 NH2 ARG A 61 2.769 2.134 23.047 1.00 72.51 N ATOM 0 H ARG A 61 2.762 -0.396 16.977 1.00 4.43 H new ATOM 0 HA ARG A 61 1.375 1.384 15.312 1.00 52.22 H new ATOM 0 HB2 ARG A 61 0.202 2.088 17.380 1.00 13.35 H new ATOM 0 HB3 ARG A 61 0.160 0.371 17.033 1.00 13.35 H new ATOM 0 HG2 ARG A 61 0.418 0.601 19.389 1.00 15.20 H new ATOM 0 HG3 ARG A 61 1.951 0.025 18.766 1.00 15.20 H new ATOM 0 HD2 ARG A 61 2.859 2.329 18.863 1.00 5.30 H new ATOM 0 HD3 ARG A 61 1.325 2.908 19.482 1.00 5.30 H new ATOM 0 HE ARG A 61 2.847 0.800 20.961 1.00 20.42 H new ATOM 0 HH11 ARG A 61 1.175 3.922 20.896 1.00 61.35 H new ATOM 0 HH12 ARG A 61 1.493 4.251 22.602 1.00 61.35 H new ATOM 0 HH21 ARG A 61 3.256 1.242 23.133 1.00 72.51 H new ATOM 0 HH22 ARG A 61 2.665 2.739 23.862 1.00 72.51 H new ATOM 982 N ASN A 62 3.753 2.793 16.982 1.00 23.20 N ATOM 983 CA ASN A 62 4.530 4.027 17.060 1.00 31.01 C ATOM 984 C ASN A 62 5.232 4.228 15.731 1.00 30.43 C ATOM 985 O ASN A 62 5.179 5.309 15.142 1.00 64.01 O ATOM 986 CB ASN A 62 5.555 3.965 18.233 1.00 12.34 C ATOM 987 CG ASN A 62 6.389 5.254 18.436 1.00 3.01 C ATOM 988 OD1 ASN A 62 6.687 5.992 17.504 1.00 43.44 O ATOM 989 ND2 ASN A 62 6.782 5.514 19.659 1.00 31.11 N ATOM 0 H ASN A 62 4.169 1.999 17.469 1.00 23.20 H new ATOM 0 HA ASN A 62 3.870 4.871 17.259 1.00 31.01 H new ATOM 0 HB2 ASN A 62 5.017 3.748 19.156 1.00 12.34 H new ATOM 0 HB3 ASN A 62 6.236 3.132 18.058 1.00 12.34 H new ATOM 0 HD21 ASN A 62 7.346 6.343 19.848 1.00 31.11 H new ATOM 0 HD22 ASN A 62 6.524 4.888 20.422 1.00 31.11 H new ATOM 996 N LEU A 63 5.838 3.146 15.240 1.00 62.15 N ATOM 997 CA LEU A 63 6.594 3.150 13.990 1.00 11.25 C ATOM 998 C LEU A 63 5.758 3.669 12.835 1.00 12.01 C ATOM 999 O LEU A 63 6.205 4.520 12.074 1.00 54.00 O ATOM 1000 CB LEU A 63 7.079 1.739 13.639 1.00 24.42 C ATOM 1001 CG LEU A 63 8.024 1.058 14.622 1.00 75.11 C ATOM 1002 CD1 LEU A 63 8.371 -0.334 14.122 1.00 60.42 C ATOM 1003 CD2 LEU A 63 9.287 1.876 14.798 1.00 24.32 C ATOM 0 H LEU A 63 5.817 2.237 15.703 1.00 62.15 H new ATOM 0 HA LEU A 63 7.448 3.810 14.143 1.00 11.25 H new ATOM 0 HB2 LEU A 63 6.203 1.102 13.518 1.00 24.42 H new ATOM 0 HB3 LEU A 63 7.576 1.785 12.670 1.00 24.42 H new ATOM 0 HG LEU A 63 7.526 0.979 15.588 1.00 75.11 H new ATOM 0 HD11 LEU A 63 9.047 -0.816 14.828 1.00 60.42 H new ATOM 0 HD12 LEU A 63 7.460 -0.925 14.030 1.00 60.42 H new ATOM 0 HD13 LEU A 63 8.856 -0.261 13.148 1.00 60.42 H new ATOM 0 HD21 LEU A 63 9.950 1.375 15.503 1.00 24.32 H new ATOM 0 HD22 LEU A 63 9.791 1.979 13.837 1.00 24.32 H new ATOM 0 HD23 LEU A 63 9.030 2.864 15.181 1.00 24.32 H new ATOM 1015 N ILE A 64 4.540 3.184 12.725 1.00 22.11 N ATOM 1016 CA ILE A 64 3.682 3.541 11.613 1.00 62.31 C ATOM 1017 C ILE A 64 3.248 5.027 11.683 1.00 1.24 C ATOM 1018 O ILE A 64 2.917 5.623 10.679 1.00 63.50 O ATOM 1019 CB ILE A 64 2.456 2.583 11.503 1.00 25.21 C ATOM 1020 CG1 ILE A 64 1.724 2.781 10.168 1.00 43.12 C ATOM 1021 CG2 ILE A 64 1.497 2.799 12.674 1.00 51.24 C ATOM 1022 CD1 ILE A 64 0.595 1.800 9.935 1.00 21.22 C ATOM 0 H ILE A 64 4.119 2.539 13.394 1.00 22.11 H new ATOM 0 HA ILE A 64 4.265 3.420 10.700 1.00 62.31 H new ATOM 0 HB ILE A 64 2.825 1.558 11.541 1.00 25.21 H new ATOM 0 HG12 ILE A 64 1.325 3.795 10.131 1.00 43.12 H new ATOM 0 HG13 ILE A 64 2.443 2.692 9.354 1.00 43.12 H new ATOM 0 HG21 ILE A 64 0.648 2.122 12.579 1.00 51.24 H new ATOM 0 HG22 ILE A 64 2.017 2.600 13.611 1.00 51.24 H new ATOM 0 HG23 ILE A 64 1.141 3.829 12.668 1.00 51.24 H new ATOM 0 HD11 ILE A 64 0.128 2.005 8.972 1.00 21.22 H new ATOM 0 HD12 ILE A 64 0.989 0.784 9.938 1.00 21.22 H new ATOM 0 HD13 ILE A 64 -0.147 1.904 10.727 1.00 21.22 H new ATOM 1034 N ARG A 65 3.304 5.625 12.878 1.00 64.42 N ATOM 1035 CA ARG A 65 2.953 7.039 13.020 1.00 42.14 C ATOM 1036 C ARG A 65 4.150 7.916 12.691 1.00 4.30 C ATOM 1037 O ARG A 65 4.030 9.126 12.545 1.00 34.54 O ATOM 1038 CB ARG A 65 2.436 7.378 14.422 1.00 11.23 C ATOM 1039 CG ARG A 65 1.187 6.624 14.821 1.00 73.23 C ATOM 1040 CD ARG A 65 0.613 7.135 16.135 1.00 20.13 C ATOM 1041 NE ARG A 65 1.555 7.034 17.258 1.00 33.33 N ATOM 1042 CZ ARG A 65 1.214 6.704 18.513 1.00 43.32 C ATOM 1043 NH1 ARG A 65 -0.008 6.238 18.778 1.00 14.02 N ATOM 1044 NH2 ARG A 65 2.111 6.797 19.486 1.00 12.20 N ATOM 0 H ARG A 65 3.583 5.162 13.743 1.00 64.42 H new ATOM 0 HA ARG A 65 2.145 7.235 12.315 1.00 42.14 H new ATOM 0 HB2 ARG A 65 3.222 7.167 15.148 1.00 11.23 H new ATOM 0 HB3 ARG A 65 2.233 8.448 14.474 1.00 11.23 H new ATOM 0 HG2 ARG A 65 0.438 6.720 14.035 1.00 73.23 H new ATOM 0 HG3 ARG A 65 1.417 5.563 14.913 1.00 73.23 H new ATOM 0 HD2 ARG A 65 0.314 8.176 16.013 1.00 20.13 H new ATOM 0 HD3 ARG A 65 -0.288 6.571 16.374 1.00 20.13 H new ATOM 0 HE ARG A 65 2.538 7.229 17.070 1.00 33.33 H new ATOM 0 HH11 ARG A 65 -0.688 6.131 18.025 1.00 14.02 H new ATOM 0 HH12 ARG A 65 -0.262 5.988 19.734 1.00 14.02 H new ATOM 0 HH21 ARG A 65 3.057 7.119 19.279 1.00 12.20 H new ATOM 0 HH22 ARG A 65 1.855 6.547 20.441 1.00 12.20 H new ATOM 1058 N ARG A 66 5.312 7.291 12.589 1.00 24.43 N ATOM 1059 CA ARG A 66 6.545 7.994 12.251 1.00 5.01 C ATOM 1060 C ARG A 66 6.683 8.104 10.753 1.00 31.32 C ATOM 1061 O ARG A 66 7.521 8.845 10.245 1.00 34.42 O ATOM 1062 CB ARG A 66 7.769 7.256 12.793 1.00 53.43 C ATOM 1063 CG ARG A 66 7.813 7.108 14.291 1.00 1.15 C ATOM 1064 CD ARG A 66 9.066 6.374 14.717 1.00 3.34 C ATOM 1065 NE ARG A 66 9.155 6.245 16.165 1.00 0.03 N ATOM 1066 CZ ARG A 66 10.241 5.858 16.832 1.00 53.11 C ATOM 1067 NH1 ARG A 66 11.334 5.453 16.177 1.00 1.45 N ATOM 1068 NH2 ARG A 66 10.228 5.862 18.150 1.00 3.11 N ATOM 0 H ARG A 66 5.430 6.289 12.737 1.00 24.43 H new ATOM 0 HA ARG A 66 6.493 8.984 12.703 1.00 5.01 H new ATOM 0 HB2 ARG A 66 7.804 6.263 12.344 1.00 53.43 H new ATOM 0 HB3 ARG A 66 8.666 7.784 12.469 1.00 53.43 H new ATOM 0 HG2 ARG A 66 7.784 8.091 14.760 1.00 1.15 H new ATOM 0 HG3 ARG A 66 6.932 6.565 14.634 1.00 1.15 H new ATOM 0 HD2 ARG A 66 9.078 5.383 14.263 1.00 3.34 H new ATOM 0 HD3 ARG A 66 9.942 6.906 14.346 1.00 3.34 H new ATOM 0 HE ARG A 66 8.322 6.468 16.710 1.00 0.03 H new ATOM 0 HH11 ARG A 66 11.341 5.438 15.157 1.00 1.45 H new ATOM 0 HH12 ARG A 66 12.161 5.159 16.697 1.00 1.45 H new ATOM 0 HH21 ARG A 66 9.391 6.160 18.651 1.00 3.11 H new ATOM 0 HH22 ARG A 66 11.055 5.567 18.669 1.00 3.11 H new ATOM 1082 N HIS A 67 5.883 7.348 10.050 1.00 22.24 N ATOM 1083 CA HIS A 67 5.935 7.336 8.617 1.00 42.11 C ATOM 1084 C HIS A 67 4.642 7.855 8.084 1.00 33.44 C ATOM 1085 O HIS A 67 3.596 7.266 8.333 1.00 25.25 O ATOM 1086 CB HIS A 67 6.188 5.920 8.063 1.00 31.32 C ATOM 1087 CG HIS A 67 7.476 5.289 8.496 1.00 71.31 C ATOM 1088 ND1 HIS A 67 8.653 5.411 7.804 1.00 45.21 N ATOM 1089 CD2 HIS A 67 7.755 4.506 9.551 1.00 65.31 C ATOM 1090 CE1 HIS A 67 9.591 4.733 8.412 1.00 52.30 C ATOM 1091 NE2 HIS A 67 9.073 4.174 9.478 1.00 60.42 N ATOM 0 H HIS A 67 5.181 6.727 10.454 1.00 22.24 H new ATOM 0 HA HIS A 67 6.765 7.968 8.300 1.00 42.11 H new ATOM 0 HB2 HIS A 67 5.364 5.275 8.369 1.00 31.32 H new ATOM 0 HB3 HIS A 67 6.171 5.964 6.974 1.00 31.32 H new ATOM 0 HD1 HIS A 67 8.778 5.948 6.946 1.00 45.21 H new ATOM 0 HD2 HIS A 67 7.060 4.196 10.318 1.00 65.31 H new ATOM 0 HE1 HIS A 67 10.618 4.648 8.090 1.00 52.30 H new ATOM 1100 N GLU A 68 4.693 8.961 7.390 1.00 61.23 N ATOM 1101 CA GLU A 68 3.498 9.522 6.812 1.00 12.51 C ATOM 1102 C GLU A 68 2.948 8.599 5.724 1.00 63.23 C ATOM 1103 O GLU A 68 3.708 7.911 5.028 1.00 0.14 O ATOM 1104 CB GLU A 68 3.737 10.952 6.313 1.00 34.04 C ATOM 1105 CG GLU A 68 4.089 11.921 7.434 1.00 45.34 C ATOM 1106 CD GLU A 68 4.147 13.357 6.981 1.00 23.33 C ATOM 1107 OE1 GLU A 68 5.192 13.792 6.471 1.00 64.20 O ATOM 1108 OE2 GLU A 68 3.141 14.080 7.147 1.00 55.12 O ATOM 0 H GLU A 68 5.546 9.491 7.211 1.00 61.23 H new ATOM 0 HA GLU A 68 2.735 9.595 7.587 1.00 12.51 H new ATOM 0 HB2 GLU A 68 4.543 10.945 5.579 1.00 34.04 H new ATOM 0 HB3 GLU A 68 2.843 11.307 5.801 1.00 34.04 H new ATOM 0 HG2 GLU A 68 3.351 11.828 8.231 1.00 45.34 H new ATOM 0 HG3 GLU A 68 5.053 11.641 7.858 1.00 45.34 H new ATOM 1115 N ARG A 69 1.642 8.582 5.570 1.00 22.05 N ATOM 1116 CA ARG A 69 0.997 7.645 4.672 1.00 5.20 C ATOM 1117 C ARG A 69 1.120 7.940 3.205 1.00 5.22 C ATOM 1118 O ARG A 69 0.648 7.185 2.364 1.00 73.30 O ATOM 1119 CB ARG A 69 -0.380 7.192 5.151 1.00 20.24 C ATOM 1120 CG ARG A 69 -1.424 8.244 5.602 1.00 34.03 C ATOM 1121 CD ARG A 69 -2.233 8.933 4.486 1.00 34.42 C ATOM 1122 NE ARG A 69 -1.554 9.990 3.722 1.00 74.45 N ATOM 1123 CZ ARG A 69 -2.024 11.266 3.667 1.00 32.23 C ATOM 1124 NH1 ARG A 69 -2.962 11.673 4.532 1.00 43.21 N ATOM 1125 NH2 ARG A 69 -1.524 12.138 2.812 1.00 31.02 N ATOM 0 H ARG A 69 1.002 9.209 6.057 1.00 22.05 H new ATOM 0 HA ARG A 69 1.613 6.748 4.744 1.00 5.20 H new ATOM 0 HB2 ARG A 69 -0.830 6.613 4.345 1.00 20.24 H new ATOM 0 HB3 ARG A 69 -0.225 6.509 5.986 1.00 20.24 H new ATOM 0 HG2 ARG A 69 -2.125 7.759 6.282 1.00 34.03 H new ATOM 0 HG3 ARG A 69 -0.907 9.015 6.174 1.00 34.03 H new ATOM 0 HD2 ARG A 69 -2.562 8.167 3.784 1.00 34.42 H new ATOM 0 HD3 ARG A 69 -3.130 9.362 4.933 1.00 34.42 H new ATOM 0 HE ARG A 69 -0.700 9.759 3.215 1.00 74.45 H new ATOM 0 HH11 ARG A 69 -3.325 11.026 5.233 1.00 43.21 H new ATOM 0 HH12 ARG A 69 -3.314 12.630 4.490 1.00 43.21 H new ATOM 0 HH21 ARG A 69 -0.774 11.859 2.179 1.00 31.02 H new ATOM 0 HH22 ARG A 69 -1.888 13.091 2.784 1.00 31.02 H new ATOM 1139 N ASP A 70 1.780 9.006 2.912 1.00 22.22 N ATOM 1140 CA ASP A 70 2.145 9.340 1.532 1.00 32.14 C ATOM 1141 C ASP A 70 3.396 8.557 1.200 1.00 32.44 C ATOM 1142 O ASP A 70 3.469 7.854 0.187 1.00 63.23 O ATOM 1143 CB ASP A 70 2.470 10.828 1.380 1.00 14.24 C ATOM 1144 CG ASP A 70 1.386 11.721 1.864 1.00 72.23 C ATOM 1145 OD1 ASP A 70 1.449 12.160 3.039 1.00 3.02 O ATOM 1146 OD2 ASP A 70 0.446 11.977 1.117 1.00 24.25 O ATOM 0 H ASP A 70 2.093 9.687 3.604 1.00 22.22 H new ATOM 0 HA ASP A 70 1.310 9.100 0.874 1.00 32.14 H new ATOM 0 HB2 ASP A 70 3.386 11.050 1.928 1.00 14.24 H new ATOM 0 HB3 ASP A 70 2.667 11.044 0.330 1.00 14.24 H new ATOM 1151 N GLU A 71 4.366 8.667 2.117 1.00 64.24 N ATOM 1152 CA GLU A 71 5.678 8.017 2.031 1.00 51.10 C ATOM 1153 C GLU A 71 5.512 6.522 1.819 1.00 11.41 C ATOM 1154 O GLU A 71 6.012 5.955 0.863 1.00 42.44 O ATOM 1155 CB GLU A 71 6.405 8.203 3.374 1.00 50.00 C ATOM 1156 CG GLU A 71 6.626 9.641 3.815 1.00 51.42 C ATOM 1157 CD GLU A 71 7.629 10.367 2.977 1.00 33.00 C ATOM 1158 OE1 GLU A 71 8.834 10.218 3.233 1.00 71.33 O ATOM 1159 OE2 GLU A 71 7.243 11.112 2.089 1.00 64.05 O ATOM 0 H GLU A 71 4.255 9.227 2.963 1.00 64.24 H new ATOM 0 HA GLU A 71 6.234 8.456 1.203 1.00 51.10 H new ATOM 0 HB2 GLU A 71 5.835 7.689 4.148 1.00 50.00 H new ATOM 0 HB3 GLU A 71 7.375 7.709 3.312 1.00 50.00 H new ATOM 0 HG2 GLU A 71 5.677 10.175 3.778 1.00 51.42 H new ATOM 0 HG3 GLU A 71 6.956 9.649 4.854 1.00 51.42 H new ATOM 1166 N ILE A 72 4.768 5.906 2.724 1.00 70.42 N ATOM 1167 CA ILE A 72 4.571 4.466 2.723 1.00 3.43 C ATOM 1168 C ILE A 72 3.943 3.991 1.409 1.00 23.14 C ATOM 1169 O ILE A 72 4.346 2.972 0.852 1.00 54.21 O ATOM 1170 CB ILE A 72 3.657 4.027 3.899 1.00 2.34 C ATOM 1171 CG1 ILE A 72 4.213 4.527 5.239 1.00 63.25 C ATOM 1172 CG2 ILE A 72 3.523 2.506 3.927 1.00 61.24 C ATOM 1173 CD1 ILE A 72 3.340 4.173 6.434 1.00 71.03 C ATOM 0 H ILE A 72 4.284 6.391 3.480 1.00 70.42 H new ATOM 0 HA ILE A 72 5.555 4.012 2.837 1.00 3.43 H new ATOM 0 HB ILE A 72 2.672 4.469 3.746 1.00 2.34 H new ATOM 0 HG12 ILE A 72 5.207 4.106 5.389 1.00 63.25 H new ATOM 0 HG13 ILE A 72 4.329 5.610 5.193 1.00 63.25 H new ATOM 0 HG21 ILE A 72 2.880 2.213 4.756 1.00 61.24 H new ATOM 0 HG22 ILE A 72 3.086 2.162 2.990 1.00 61.24 H new ATOM 0 HG23 ILE A 72 4.508 2.056 4.055 1.00 61.24 H new ATOM 0 HD11 ILE A 72 3.797 4.559 7.345 1.00 71.03 H new ATOM 0 HD12 ILE A 72 2.352 4.616 6.307 1.00 71.03 H new ATOM 0 HD13 ILE A 72 3.245 3.090 6.507 1.00 71.03 H new ATOM 1185 N MET A 73 2.994 4.764 0.904 1.00 51.23 N ATOM 1186 CA MET A 73 2.235 4.373 -0.265 1.00 30.35 C ATOM 1187 C MET A 73 3.128 4.366 -1.507 1.00 61.42 C ATOM 1188 O MET A 73 3.169 3.372 -2.252 1.00 44.13 O ATOM 1189 CB MET A 73 1.030 5.313 -0.457 1.00 32.51 C ATOM 1190 CG MET A 73 -0.046 4.812 -1.434 1.00 30.24 C ATOM 1191 SD MET A 73 0.525 4.570 -3.123 1.00 62.03 S ATOM 1192 CE MET A 73 -0.959 3.998 -3.884 1.00 1.35 C ATOM 0 H MET A 73 2.733 5.671 1.291 1.00 51.23 H new ATOM 0 HA MET A 73 1.859 3.361 -0.116 1.00 30.35 H new ATOM 0 HB2 MET A 73 0.565 5.483 0.514 1.00 32.51 H new ATOM 0 HB3 MET A 73 1.395 6.278 -0.809 1.00 32.51 H new ATOM 0 HG2 MET A 73 -0.445 3.869 -1.061 1.00 30.24 H new ATOM 0 HG3 MET A 73 -0.870 5.525 -1.442 1.00 30.24 H new ATOM 0 HE1 MET A 73 -0.844 4.021 -4.968 1.00 1.35 H new ATOM 0 HE2 MET A 73 -1.163 2.977 -3.562 1.00 1.35 H new ATOM 0 HE3 MET A 73 -1.789 4.642 -3.593 1.00 1.35 H new ATOM 1202 N GLU A 74 3.862 5.445 -1.729 1.00 65.31 N ATOM 1203 CA GLU A 74 4.696 5.512 -2.905 1.00 52.42 C ATOM 1204 C GLU A 74 5.841 4.489 -2.833 1.00 40.33 C ATOM 1205 O GLU A 74 6.325 3.992 -3.864 1.00 1.33 O ATOM 1206 CB GLU A 74 5.125 6.967 -3.271 1.00 52.23 C ATOM 1207 CG GLU A 74 6.038 7.711 -2.298 1.00 52.44 C ATOM 1208 CD GLU A 74 7.439 7.178 -2.299 1.00 43.13 C ATOM 1209 OE1 GLU A 74 8.103 7.228 -3.369 1.00 3.23 O ATOM 1210 OE2 GLU A 74 7.905 6.710 -1.270 1.00 74.24 O ATOM 0 H GLU A 74 3.894 6.265 -1.123 1.00 65.31 H new ATOM 0 HA GLU A 74 4.093 5.211 -3.761 1.00 52.42 H new ATOM 0 HB2 GLU A 74 5.625 6.934 -4.239 1.00 52.23 H new ATOM 0 HB3 GLU A 74 4.219 7.560 -3.399 1.00 52.23 H new ATOM 0 HG2 GLU A 74 6.056 8.769 -2.559 1.00 52.44 H new ATOM 0 HG3 GLU A 74 5.626 7.638 -1.291 1.00 52.44 H new ATOM 1217 N GLU A 75 6.272 4.179 -1.614 1.00 10.42 N ATOM 1218 CA GLU A 75 7.258 3.145 -1.400 1.00 72.13 C ATOM 1219 C GLU A 75 6.684 1.786 -1.820 1.00 65.14 C ATOM 1220 O GLU A 75 7.363 0.996 -2.498 1.00 55.03 O ATOM 1221 CB GLU A 75 7.725 3.111 0.056 1.00 62.12 C ATOM 1222 CG GLU A 75 8.862 2.129 0.302 1.00 42.12 C ATOM 1223 CD GLU A 75 10.120 2.491 -0.470 1.00 63.23 C ATOM 1224 OE1 GLU A 75 10.122 2.381 -1.720 1.00 51.41 O ATOM 1225 OE2 GLU A 75 11.130 2.853 0.163 1.00 62.44 O ATOM 0 H GLU A 75 5.948 4.636 -0.762 1.00 10.42 H new ATOM 0 HA GLU A 75 8.130 3.368 -2.015 1.00 72.13 H new ATOM 0 HB2 GLU A 75 8.047 4.110 0.350 1.00 62.12 H new ATOM 0 HB3 GLU A 75 6.882 2.847 0.694 1.00 62.12 H new ATOM 0 HG2 GLU A 75 9.089 2.100 1.368 1.00 42.12 H new ATOM 0 HG3 GLU A 75 8.541 1.127 0.018 1.00 42.12 H new ATOM 1232 N LEU A 76 5.416 1.535 -1.442 1.00 51.23 N ATOM 1233 CA LEU A 76 4.714 0.306 -1.831 1.00 2.43 C ATOM 1234 C LEU A 76 4.763 0.144 -3.332 1.00 72.33 C ATOM 1235 O LEU A 76 5.144 -0.905 -3.833 1.00 20.11 O ATOM 1236 CB LEU A 76 3.232 0.322 -1.395 1.00 54.32 C ATOM 1237 CG LEU A 76 2.928 0.394 0.100 1.00 41.34 C ATOM 1238 CD1 LEU A 76 1.428 0.450 0.327 1.00 13.21 C ATOM 1239 CD2 LEU A 76 3.516 -0.798 0.823 1.00 53.22 C ATOM 0 H LEU A 76 4.861 2.169 -0.868 1.00 51.23 H new ATOM 0 HA LEU A 76 5.216 -0.523 -1.331 1.00 2.43 H new ATOM 0 HB2 LEU A 76 2.751 1.174 -1.875 1.00 54.32 H new ATOM 0 HB3 LEU A 76 2.757 -0.576 -1.790 1.00 54.32 H new ATOM 0 HG LEU A 76 3.383 1.301 0.499 1.00 41.34 H new ATOM 0 HD11 LEU A 76 1.224 0.501 1.396 1.00 13.21 H new ATOM 0 HD12 LEU A 76 1.019 1.333 -0.163 1.00 13.21 H new ATOM 0 HD13 LEU A 76 0.963 -0.444 -0.089 1.00 13.21 H new ATOM 0 HD21 LEU A 76 3.288 -0.727 1.887 1.00 53.22 H new ATOM 0 HD22 LEU A 76 3.087 -1.716 0.420 1.00 53.22 H new ATOM 0 HD23 LEU A 76 4.597 -0.811 0.684 1.00 53.22 H new ATOM 1251 N THR A 77 4.418 1.212 -4.030 1.00 3.40 N ATOM 1252 CA THR A 77 4.371 1.224 -5.472 1.00 14.13 C ATOM 1253 C THR A 77 5.738 0.845 -6.113 1.00 41.02 C ATOM 1254 O THR A 77 5.794 0.022 -7.032 1.00 61.43 O ATOM 1255 CB THR A 77 3.922 2.620 -5.960 1.00 3.14 C ATOM 1256 OG1 THR A 77 2.654 2.951 -5.357 1.00 34.13 O ATOM 1257 CG2 THR A 77 3.777 2.650 -7.475 1.00 12.23 C ATOM 0 H THR A 77 4.161 2.102 -3.602 1.00 3.40 H new ATOM 0 HA THR A 77 3.652 0.468 -5.787 1.00 14.13 H new ATOM 0 HB THR A 77 4.681 3.346 -5.670 1.00 3.14 H new ATOM 0 HG1 THR A 77 2.798 3.242 -4.432 1.00 34.13 H new ATOM 0 HG21 THR A 77 3.460 3.644 -7.791 1.00 12.23 H new ATOM 0 HG22 THR A 77 4.735 2.411 -7.937 1.00 12.23 H new ATOM 0 HG23 THR A 77 3.032 1.917 -7.784 1.00 12.23 H new ATOM 1265 N LYS A 78 6.827 1.407 -5.598 1.00 20.11 N ATOM 1266 CA LYS A 78 8.145 1.175 -6.193 1.00 2.40 C ATOM 1267 C LYS A 78 8.650 -0.231 -5.972 1.00 61.43 C ATOM 1268 O LYS A 78 9.028 -0.913 -6.918 1.00 63.45 O ATOM 1269 CB LYS A 78 9.183 2.172 -5.696 1.00 1.43 C ATOM 1270 CG LYS A 78 8.845 3.604 -6.011 1.00 33.04 C ATOM 1271 CD LYS A 78 9.964 4.562 -5.634 1.00 23.44 C ATOM 1272 CE LYS A 78 10.332 4.461 -4.171 1.00 62.11 C ATOM 1273 NZ LYS A 78 9.215 4.808 -3.273 1.00 73.14 N ATOM 0 H LYS A 78 6.828 2.018 -4.782 1.00 20.11 H new ATOM 0 HA LYS A 78 8.003 1.319 -7.264 1.00 2.40 H new ATOM 0 HB2 LYS A 78 9.292 2.062 -4.617 1.00 1.43 H new ATOM 0 HB3 LYS A 78 10.149 1.930 -6.140 1.00 1.43 H new ATOM 0 HG2 LYS A 78 8.634 3.698 -7.076 1.00 33.04 H new ATOM 0 HG3 LYS A 78 7.936 3.885 -5.479 1.00 33.04 H new ATOM 0 HD2 LYS A 78 10.842 4.350 -6.244 1.00 23.44 H new ATOM 0 HD3 LYS A 78 9.658 5.583 -5.860 1.00 23.44 H new ATOM 0 HE2 LYS A 78 10.664 3.446 -3.954 1.00 62.11 H new ATOM 0 HE3 LYS A 78 11.174 5.122 -3.967 1.00 62.11 H new ATOM 0 HZ1 LYS A 78 9.548 4.804 -2.288 1.00 73.14 H new ATOM 0 HZ2 LYS A 78 8.857 5.754 -3.514 1.00 73.14 H new ATOM 0 HZ3 LYS A 78 8.451 4.111 -3.384 1.00 73.14 H new ATOM 1287 N TYR A 79 8.638 -0.665 -4.737 1.00 3.32 N ATOM 1288 CA TYR A 79 9.181 -1.967 -4.378 1.00 42.31 C ATOM 1289 C TYR A 79 8.369 -3.095 -5.049 1.00 41.55 C ATOM 1290 O TYR A 79 8.917 -4.135 -5.432 1.00 45.20 O ATOM 1291 CB TYR A 79 9.226 -2.091 -2.857 1.00 31.03 C ATOM 1292 CG TYR A 79 9.977 -3.285 -2.321 1.00 11.12 C ATOM 1293 CD1 TYR A 79 11.343 -3.425 -2.544 1.00 63.41 C ATOM 1294 CD2 TYR A 79 9.339 -4.245 -1.559 1.00 24.13 C ATOM 1295 CE1 TYR A 79 12.041 -4.496 -2.025 1.00 61.50 C ATOM 1296 CE2 TYR A 79 10.028 -5.315 -1.042 1.00 32.12 C ATOM 1297 CZ TYR A 79 11.378 -5.439 -1.275 1.00 72.31 C ATOM 1298 OH TYR A 79 12.072 -6.511 -0.747 1.00 50.12 O ATOM 0 H TYR A 79 8.257 -0.137 -3.952 1.00 3.32 H new ATOM 0 HA TYR A 79 10.202 -2.064 -4.748 1.00 42.31 H new ATOM 0 HB2 TYR A 79 9.679 -1.187 -2.450 1.00 31.03 H new ATOM 0 HB3 TYR A 79 8.203 -2.131 -2.483 1.00 31.03 H new ATOM 0 HD1 TYR A 79 11.865 -2.684 -3.132 1.00 63.41 H new ATOM 0 HD2 TYR A 79 8.280 -4.152 -1.367 1.00 24.13 H new ATOM 0 HE1 TYR A 79 13.101 -4.593 -2.207 1.00 61.50 H new ATOM 0 HE2 TYR A 79 9.510 -6.058 -0.453 1.00 32.12 H new ATOM 0 HH TYR A 79 11.528 -6.946 -0.058 1.00 50.12 H new ATOM 1308 N TYR A 80 7.075 -2.848 -5.215 1.00 3.13 N ATOM 1309 CA TYR A 80 6.156 -3.750 -5.913 1.00 74.24 C ATOM 1310 C TYR A 80 6.620 -3.926 -7.368 1.00 73.04 C ATOM 1311 O TYR A 80 6.736 -5.045 -7.885 1.00 11.42 O ATOM 1312 CB TYR A 80 4.763 -3.096 -5.890 1.00 41.13 C ATOM 1313 CG TYR A 80 3.620 -3.869 -6.516 1.00 45.33 C ATOM 1314 CD1 TYR A 80 2.792 -4.644 -5.737 1.00 61.24 C ATOM 1315 CD2 TYR A 80 3.346 -3.783 -7.874 1.00 41.02 C ATOM 1316 CE1 TYR A 80 1.722 -5.325 -6.282 1.00 34.14 C ATOM 1317 CE2 TYR A 80 2.274 -4.456 -8.429 1.00 62.12 C ATOM 1318 CZ TYR A 80 1.465 -5.228 -7.622 1.00 2.32 C ATOM 1319 OH TYR A 80 0.392 -5.895 -8.159 1.00 74.22 O ATOM 0 H TYR A 80 6.624 -2.003 -4.864 1.00 3.13 H new ATOM 0 HA TYR A 80 6.130 -4.728 -5.433 1.00 74.24 H new ATOM 0 HB2 TYR A 80 4.503 -2.893 -4.851 1.00 41.13 H new ATOM 0 HB3 TYR A 80 4.835 -2.133 -6.395 1.00 41.13 H new ATOM 0 HD1 TYR A 80 2.983 -4.721 -4.677 1.00 61.24 H new ATOM 0 HD2 TYR A 80 3.981 -3.181 -8.507 1.00 41.02 H new ATOM 0 HE1 TYR A 80 1.089 -5.933 -5.652 1.00 34.14 H new ATOM 0 HE2 TYR A 80 2.071 -4.378 -9.487 1.00 62.12 H new ATOM 0 HH TYR A 80 -0.440 -5.476 -7.854 1.00 74.22 H new ATOM 1329 N LEU A 81 6.899 -2.806 -8.009 1.00 20.41 N ATOM 1330 CA LEU A 81 7.313 -2.784 -9.396 1.00 63.31 C ATOM 1331 C LEU A 81 8.727 -3.299 -9.587 1.00 43.45 C ATOM 1332 O LEU A 81 9.056 -3.846 -10.648 1.00 15.21 O ATOM 1333 CB LEU A 81 7.149 -1.389 -9.981 1.00 21.21 C ATOM 1334 CG LEU A 81 5.709 -0.880 -10.051 1.00 11.22 C ATOM 1335 CD1 LEU A 81 5.670 0.542 -10.555 1.00 72.43 C ATOM 1336 CD2 LEU A 81 4.877 -1.780 -10.947 1.00 43.12 C ATOM 0 H LEU A 81 6.844 -1.883 -7.578 1.00 20.41 H new ATOM 0 HA LEU A 81 6.659 -3.466 -9.939 1.00 63.31 H new ATOM 0 HB2 LEU A 81 7.736 -0.691 -9.385 1.00 21.21 H new ATOM 0 HB3 LEU A 81 7.570 -1.382 -10.986 1.00 21.21 H new ATOM 0 HG LEU A 81 5.288 -0.899 -9.046 1.00 11.22 H new ATOM 0 HD11 LEU A 81 4.636 0.885 -10.597 1.00 72.43 H new ATOM 0 HD12 LEU A 81 6.238 1.183 -9.880 1.00 72.43 H new ATOM 0 HD13 LEU A 81 6.108 0.587 -11.552 1.00 72.43 H new ATOM 0 HD21 LEU A 81 3.854 -1.407 -10.988 1.00 43.12 H new ATOM 0 HD22 LEU A 81 5.302 -1.787 -11.951 1.00 43.12 H new ATOM 0 HD23 LEU A 81 4.877 -2.794 -10.546 1.00 43.12 H new ATOM 1348 N ALA A 82 9.551 -3.160 -8.554 1.00 74.15 N ATOM 1349 CA ALA A 82 10.936 -3.630 -8.579 1.00 42.43 C ATOM 1350 C ALA A 82 11.006 -5.127 -8.880 1.00 14.12 C ATOM 1351 O ALA A 82 11.941 -5.595 -9.532 1.00 32.04 O ATOM 1352 CB ALA A 82 11.634 -3.313 -7.264 1.00 54.20 C ATOM 0 H ALA A 82 9.280 -2.719 -7.675 1.00 74.15 H new ATOM 0 HA ALA A 82 11.454 -3.103 -9.380 1.00 42.43 H new ATOM 0 HB1 ALA A 82 12.663 -3.671 -7.303 1.00 54.20 H new ATOM 0 HB2 ALA A 82 11.630 -2.235 -7.101 1.00 54.20 H new ATOM 0 HB3 ALA A 82 11.109 -3.806 -6.446 1.00 54.20 H new ATOM 1358 N ASN A 83 9.972 -5.869 -8.456 1.00 50.34 N ATOM 1359 CA ASN A 83 9.908 -7.323 -8.706 1.00 72.20 C ATOM 1360 C ASN A 83 9.820 -7.638 -10.191 1.00 21.42 C ATOM 1361 O ASN A 83 10.114 -8.748 -10.617 1.00 24.34 O ATOM 1362 CB ASN A 83 8.725 -7.999 -8.011 1.00 74.43 C ATOM 1363 CG ASN A 83 8.812 -8.115 -6.493 1.00 21.15 C ATOM 1364 OD1 ASN A 83 9.375 -7.140 -5.816 1.00 32.43 O flip ATOM 1365 ND2 ASN A 83 8.321 -9.092 -5.934 1.00 31.04 N flip ATOM 0 H ASN A 83 9.174 -5.494 -7.943 1.00 50.34 H new ATOM 0 HA ASN A 83 10.835 -7.718 -8.291 1.00 72.20 H new ATOM 0 HB2 ASN A 83 7.819 -7.446 -8.261 1.00 74.43 H new ATOM 0 HB3 ASN A 83 8.611 -9.001 -8.425 1.00 74.43 H new ATOM 0 HD21 ASN A 83 7.891 -9.833 -6.487 1.00 31.04 H new ATOM 0 HD22 ASN A 83 8.343 -9.162 -4.917 1.00 31.04 H new ATOM 1372 N HIS A 84 9.425 -6.660 -10.980 1.00 31.44 N ATOM 1373 CA HIS A 84 9.291 -6.850 -12.419 1.00 2.13 C ATOM 1374 C HIS A 84 10.625 -6.675 -13.131 1.00 11.24 C ATOM 1375 O HIS A 84 10.690 -6.754 -14.348 1.00 20.23 O ATOM 1376 CB HIS A 84 8.244 -5.898 -13.032 1.00 64.32 C ATOM 1377 CG HIS A 84 6.820 -6.184 -12.646 1.00 44.41 C ATOM 1378 ND1 HIS A 84 5.972 -6.888 -13.445 1.00 32.21 N ATOM 1379 CD2 HIS A 84 6.093 -5.836 -11.561 1.00 22.34 C ATOM 1380 CE1 HIS A 84 4.800 -6.977 -12.889 1.00 54.21 C ATOM 1381 NE2 HIS A 84 4.838 -6.350 -11.741 1.00 12.21 N ATOM 0 H HIS A 84 9.190 -5.723 -10.654 1.00 31.44 H new ATOM 0 HA HIS A 84 8.947 -7.874 -12.564 1.00 2.13 H new ATOM 0 HB2 HIS A 84 8.486 -4.877 -12.736 1.00 64.32 H new ATOM 0 HB3 HIS A 84 8.326 -5.943 -14.118 1.00 64.32 H new ATOM 0 HD1 HIS A 84 6.220 -7.288 -14.350 1.00 32.21 H new ATOM 0 HD2 HIS A 84 6.437 -5.262 -10.714 1.00 22.34 H new ATOM 0 HE1 HIS A 84 3.941 -7.483 -13.304 1.00 54.21 H new ATOM 1390 N GLY A 85 11.688 -6.443 -12.372 1.00 14.31 N ATOM 1391 CA GLY A 85 12.988 -6.256 -12.982 1.00 33.00 C ATOM 1392 C GLY A 85 13.144 -4.850 -13.481 1.00 23.14 C ATOM 1393 O GLY A 85 13.925 -4.570 -14.393 1.00 32.35 O ATOM 0 H GLY A 85 11.674 -6.381 -11.354 1.00 14.31 H new ATOM 0 HA2 GLY A 85 13.771 -6.478 -12.257 1.00 33.00 H new ATOM 0 HA3 GLY A 85 13.111 -6.956 -13.808 1.00 33.00 H new ATOM 1397 N ILE A 86 12.377 -3.974 -12.903 1.00 71.43 N ATOM 1398 CA ILE A 86 12.364 -2.604 -13.289 1.00 3.11 C ATOM 1399 C ILE A 86 13.234 -1.786 -12.353 1.00 14.13 C ATOM 1400 O ILE A 86 13.135 -1.907 -11.119 1.00 32.11 O ATOM 1401 CB ILE A 86 10.920 -2.044 -13.293 1.00 61.03 C ATOM 1402 CG1 ILE A 86 10.053 -2.806 -14.308 1.00 63.11 C ATOM 1403 CG2 ILE A 86 10.922 -0.560 -13.598 1.00 31.22 C ATOM 1404 CD1 ILE A 86 8.618 -2.328 -14.375 1.00 50.34 C ATOM 0 H ILE A 86 11.737 -4.199 -12.141 1.00 71.43 H new ATOM 0 HA ILE A 86 12.764 -2.533 -14.301 1.00 3.11 H new ATOM 0 HB ILE A 86 10.493 -2.185 -12.300 1.00 61.03 H new ATOM 0 HG12 ILE A 86 10.503 -2.713 -15.297 1.00 63.11 H new ATOM 0 HG13 ILE A 86 10.060 -3.866 -14.053 1.00 63.11 H new ATOM 0 HG21 ILE A 86 9.898 -0.187 -13.596 1.00 31.22 H new ATOM 0 HG22 ILE A 86 11.502 -0.033 -12.840 1.00 31.22 H new ATOM 0 HG23 ILE A 86 11.368 -0.391 -14.578 1.00 31.22 H new ATOM 0 HD11 ILE A 86 8.073 -2.916 -15.114 1.00 50.34 H new ATOM 0 HD12 ILE A 86 8.149 -2.447 -13.398 1.00 50.34 H new ATOM 0 HD13 ILE A 86 8.598 -1.276 -14.661 1.00 50.34 H new ATOM 1416 N ASP A 87 14.078 -0.975 -12.926 1.00 11.41 N ATOM 1417 CA ASP A 87 14.936 -0.107 -12.164 1.00 31.44 C ATOM 1418 C ASP A 87 14.212 1.181 -11.937 1.00 71.34 C ATOM 1419 O ASP A 87 13.845 1.865 -12.898 1.00 73.41 O ATOM 1420 CB ASP A 87 16.254 0.190 -12.907 1.00 35.52 C ATOM 1421 CG ASP A 87 17.095 -1.030 -13.177 1.00 52.11 C ATOM 1422 OD1 ASP A 87 17.070 -1.541 -14.313 1.00 54.32 O ATOM 1423 OD2 ASP A 87 17.809 -1.495 -12.256 1.00 73.21 O ATOM 0 H ASP A 87 14.192 -0.896 -13.937 1.00 11.41 H new ATOM 0 HA ASP A 87 15.183 -0.600 -11.224 1.00 31.44 H new ATOM 0 HB2 ASP A 87 16.023 0.676 -13.855 1.00 35.52 H new ATOM 0 HB3 ASP A 87 16.838 0.898 -12.320 1.00 35.52 H new ATOM 1428 N ILE A 88 13.983 1.521 -10.704 1.00 70.21 N ATOM 1429 CA ILE A 88 13.311 2.753 -10.401 1.00 72.45 C ATOM 1430 C ILE A 88 14.295 3.720 -9.775 1.00 72.33 C ATOM 1431 O ILE A 88 15.128 3.333 -8.932 1.00 71.43 O ATOM 1432 CB ILE A 88 12.076 2.544 -9.474 1.00 22.34 C ATOM 1433 CG1 ILE A 88 11.112 1.529 -10.097 1.00 11.22 C ATOM 1434 CG2 ILE A 88 11.351 3.875 -9.229 1.00 15.32 C ATOM 1435 CD1 ILE A 88 9.903 1.227 -9.247 1.00 11.35 C ATOM 0 H ILE A 88 14.250 0.965 -9.892 1.00 70.21 H new ATOM 0 HA ILE A 88 12.930 3.168 -11.334 1.00 72.45 H new ATOM 0 HB ILE A 88 12.427 2.159 -8.517 1.00 22.34 H new ATOM 0 HG12 ILE A 88 10.778 1.907 -11.064 1.00 11.22 H new ATOM 0 HG13 ILE A 88 11.651 0.601 -10.286 1.00 11.22 H new ATOM 0 HG21 ILE A 88 10.492 3.707 -8.580 1.00 15.32 H new ATOM 0 HG22 ILE A 88 12.034 4.579 -8.753 1.00 15.32 H new ATOM 0 HG23 ILE A 88 11.012 4.285 -10.180 1.00 15.32 H new ATOM 0 HD11 ILE A 88 9.271 0.501 -9.758 1.00 11.35 H new ATOM 0 HD12 ILE A 88 10.225 0.818 -8.289 1.00 11.35 H new ATOM 0 HD13 ILE A 88 9.338 2.144 -9.079 1.00 11.35 H new ATOM 1447 N LYS A 89 14.219 4.949 -10.211 1.00 74.33 N ATOM 1448 CA LYS A 89 15.070 6.024 -9.757 1.00 20.14 C ATOM 1449 C LYS A 89 14.707 6.425 -8.323 1.00 5.03 C ATOM 1450 O LYS A 89 13.684 5.984 -7.782 1.00 35.05 O ATOM 1451 CB LYS A 89 14.925 7.194 -10.773 1.00 10.31 C ATOM 1452 CG LYS A 89 15.703 8.484 -10.505 1.00 62.53 C ATOM 1453 CD LYS A 89 15.067 9.343 -9.419 1.00 71.33 C ATOM 1454 CE LYS A 89 15.817 10.646 -9.229 1.00 34.45 C ATOM 1455 NZ LYS A 89 15.116 11.544 -8.290 1.00 54.15 N ATOM 0 H LYS A 89 13.542 5.242 -10.915 1.00 74.33 H new ATOM 0 HA LYS A 89 16.116 5.718 -9.721 1.00 20.14 H new ATOM 0 HB2 LYS A 89 15.223 6.823 -11.753 1.00 10.31 H new ATOM 0 HB3 LYS A 89 13.867 7.450 -10.837 1.00 10.31 H new ATOM 0 HG2 LYS A 89 16.723 8.234 -10.213 1.00 62.53 H new ATOM 0 HG3 LYS A 89 15.768 9.062 -11.427 1.00 62.53 H new ATOM 0 HD2 LYS A 89 14.030 9.554 -9.681 1.00 71.33 H new ATOM 0 HD3 LYS A 89 15.052 8.791 -8.479 1.00 71.33 H new ATOM 0 HE2 LYS A 89 16.820 10.438 -8.855 1.00 34.45 H new ATOM 0 HE3 LYS A 89 15.933 11.144 -10.192 1.00 34.45 H new ATOM 0 HZ1 LYS A 89 15.766 12.291 -7.973 1.00 54.15 H new ATOM 0 HZ2 LYS A 89 14.299 11.976 -8.767 1.00 54.15 H new ATOM 0 HZ3 LYS A 89 14.788 10.999 -7.467 1.00 54.15 H new TER 1469 LYS A 89 ATOM 1470 N MET B 1 -22.388 23.839 2.549 1.00 3.34 N ATOM 1471 CA MET B 1 -21.319 23.213 1.799 1.00 4.11 C ATOM 1472 C MET B 1 -21.411 21.720 1.985 1.00 55.25 C ATOM 1473 O MET B 1 -22.093 21.254 2.908 1.00 2.11 O ATOM 1474 CB MET B 1 -19.949 23.724 2.266 1.00 33.44 C ATOM 1475 CG MET B 1 -19.635 23.426 3.723 1.00 3.31 C ATOM 1476 SD MET B 1 -18.019 24.035 4.229 1.00 53.54 S ATOM 1477 CE MET B 1 -18.009 23.506 5.943 1.00 21.43 C ATOM 0 H1 MET B 1 -22.001 24.614 3.124 1.00 3.34 H new ATOM 0 H2 MET B 1 -23.098 24.218 1.891 1.00 3.34 H new ATOM 0 H3 MET B 1 -22.834 23.135 3.172 1.00 3.34 H new ATOM 0 HA MET B 1 -21.423 23.464 0.744 1.00 4.11 H new ATOM 0 HB2 MET B 1 -19.175 23.278 1.641 1.00 33.44 H new ATOM 0 HB3 MET B 1 -19.903 24.802 2.109 1.00 33.44 H new ATOM 0 HG2 MET B 1 -20.401 23.876 4.354 1.00 3.31 H new ATOM 0 HG3 MET B 1 -19.679 22.349 3.886 1.00 3.31 H new ATOM 0 HE1 MET B 1 -17.071 23.805 6.411 1.00 21.43 H new ATOM 0 HE2 MET B 1 -18.842 23.969 6.472 1.00 21.43 H new ATOM 0 HE3 MET B 1 -18.108 22.421 5.990 1.00 21.43 H new ATOM 1487 N GLY B 2 -20.767 20.980 1.136 1.00 53.40 N ATOM 1488 CA GLY B 2 -20.820 19.558 1.233 1.00 23.32 C ATOM 1489 C GLY B 2 -19.584 18.916 0.689 1.00 44.35 C ATOM 1490 O GLY B 2 -18.986 19.410 -0.272 1.00 42.10 O ATOM 0 H GLY B 2 -20.199 21.339 0.369 1.00 53.40 H new ATOM 0 HA2 GLY B 2 -20.950 19.270 2.276 1.00 23.32 H new ATOM 0 HA3 GLY B 2 -21.690 19.189 0.690 1.00 23.32 H new ATOM 1494 N PHE B 3 -19.191 17.840 1.294 1.00 52.32 N ATOM 1495 CA PHE B 3 -18.034 17.099 0.877 1.00 12.13 C ATOM 1496 C PHE B 3 -18.474 15.681 0.631 1.00 4.44 C ATOM 1497 O PHE B 3 -19.010 15.028 1.535 1.00 53.51 O ATOM 1498 CB PHE B 3 -16.945 17.150 1.953 1.00 45.13 C ATOM 1499 CG PHE B 3 -16.463 18.539 2.294 1.00 62.44 C ATOM 1500 CD1 PHE B 3 -17.000 19.231 3.371 1.00 63.51 C ATOM 1501 CD2 PHE B 3 -15.473 19.146 1.541 1.00 3.24 C ATOM 1502 CE1 PHE B 3 -16.557 20.500 3.685 1.00 73.05 C ATOM 1503 CE2 PHE B 3 -15.026 20.416 1.853 1.00 60.23 C ATOM 1504 CZ PHE B 3 -15.569 21.094 2.926 1.00 62.32 C ATOM 0 H PHE B 3 -19.669 17.443 2.103 1.00 52.32 H new ATOM 0 HA PHE B 3 -17.610 17.529 -0.031 1.00 12.13 H new ATOM 0 HB2 PHE B 3 -17.326 16.679 2.859 1.00 45.13 H new ATOM 0 HB3 PHE B 3 -16.094 16.556 1.619 1.00 45.13 H new ATOM 0 HD1 PHE B 3 -17.773 18.772 3.970 1.00 63.51 H new ATOM 0 HD2 PHE B 3 -15.045 18.621 0.700 1.00 3.24 H new ATOM 0 HE1 PHE B 3 -16.984 21.028 4.525 1.00 73.05 H new ATOM 0 HE2 PHE B 3 -14.252 20.878 1.258 1.00 60.23 H new ATOM 0 HZ PHE B 3 -15.222 22.087 3.171 1.00 62.32 H new ATOM 1514 N THR B 4 -18.276 15.202 -0.562 1.00 24.44 N ATOM 1515 CA THR B 4 -18.785 13.914 -0.923 1.00 43.10 C ATOM 1516 C THR B 4 -17.675 12.879 -1.098 1.00 11.25 C ATOM 1517 O THR B 4 -16.928 12.898 -2.081 1.00 33.31 O ATOM 1518 CB THR B 4 -19.625 14.012 -2.207 1.00 12.43 C ATOM 1519 OG1 THR B 4 -20.625 15.035 -2.025 1.00 4.45 O ATOM 1520 CG2 THR B 4 -20.322 12.690 -2.499 1.00 70.03 C ATOM 0 H THR B 4 -17.765 15.685 -1.301 1.00 24.44 H new ATOM 0 HA THR B 4 -19.417 13.577 -0.101 1.00 43.10 H new ATOM 0 HB THR B 4 -18.968 14.254 -3.043 1.00 12.43 H new ATOM 0 HG1 THR B 4 -21.168 15.110 -2.837 1.00 4.45 H new ATOM 0 HG21 THR B 4 -20.910 12.783 -3.412 1.00 70.03 H new ATOM 0 HG22 THR B 4 -19.576 11.906 -2.626 1.00 70.03 H new ATOM 0 HG23 THR B 4 -20.979 12.434 -1.668 1.00 70.03 H new ATOM 1528 N ASP B 5 -17.550 12.017 -0.126 1.00 4.43 N ATOM 1529 CA ASP B 5 -16.633 10.893 -0.201 1.00 65.04 C ATOM 1530 C ASP B 5 -17.287 9.722 0.448 1.00 31.00 C ATOM 1531 O ASP B 5 -17.546 9.742 1.659 1.00 21.33 O ATOM 1532 CB ASP B 5 -15.284 11.180 0.476 1.00 54.42 C ATOM 1533 CG ASP B 5 -14.313 10.005 0.364 1.00 24.02 C ATOM 1534 OD1 ASP B 5 -14.147 9.256 1.340 1.00 10.12 O ATOM 1535 OD2 ASP B 5 -13.708 9.822 -0.720 1.00 21.35 O ATOM 0 H ASP B 5 -18.078 12.067 0.745 1.00 4.43 H new ATOM 0 HA ASP B 5 -16.416 10.695 -1.251 1.00 65.04 H new ATOM 0 HB2 ASP B 5 -14.834 12.064 0.023 1.00 54.42 H new ATOM 0 HB3 ASP B 5 -15.451 11.411 1.528 1.00 54.42 H new ATOM 1540 N GLU B 6 -17.614 8.735 -0.334 1.00 52.53 N ATOM 1541 CA GLU B 6 -18.262 7.570 0.192 1.00 43.13 C ATOM 1542 C GLU B 6 -17.280 6.738 1.000 1.00 23.51 C ATOM 1543 O GLU B 6 -16.181 6.420 0.537 1.00 45.51 O ATOM 1544 CB GLU B 6 -18.932 6.745 -0.916 1.00 62.43 C ATOM 1545 CG GLU B 6 -17.992 6.231 -1.988 1.00 3.32 C ATOM 1546 CD GLU B 6 -18.710 5.418 -3.022 1.00 63.32 C ATOM 1547 OE1 GLU B 6 -18.974 4.222 -2.778 1.00 40.50 O ATOM 1548 OE2 GLU B 6 -19.018 5.953 -4.111 1.00 11.22 O ATOM 0 H GLU B 6 -17.442 8.714 -1.339 1.00 52.53 H new ATOM 0 HA GLU B 6 -19.058 7.897 0.862 1.00 43.13 H new ATOM 0 HB2 GLU B 6 -19.438 5.895 -0.459 1.00 62.43 H new ATOM 0 HB3 GLU B 6 -19.700 7.356 -1.390 1.00 62.43 H new ATOM 0 HG2 GLU B 6 -17.496 7.074 -2.470 1.00 3.32 H new ATOM 0 HG3 GLU B 6 -17.213 5.624 -1.526 1.00 3.32 H new ATOM 1555 N THR B 7 -17.664 6.423 2.199 1.00 10.22 N ATOM 1556 CA THR B 7 -16.843 5.660 3.090 1.00 14.31 C ATOM 1557 C THR B 7 -16.777 4.210 2.640 1.00 32.13 C ATOM 1558 O THR B 7 -17.773 3.480 2.715 1.00 33.01 O ATOM 1559 CB THR B 7 -17.387 5.756 4.525 1.00 44.43 C ATOM 1560 OG1 THR B 7 -18.781 5.384 4.551 1.00 13.35 O ATOM 1561 CG2 THR B 7 -17.241 7.169 5.049 1.00 30.35 C ATOM 0 H THR B 7 -18.566 6.691 2.591 1.00 10.22 H new ATOM 0 HA THR B 7 -15.833 6.070 3.073 1.00 14.31 H new ATOM 0 HB THR B 7 -16.815 5.076 5.156 1.00 44.43 H new ATOM 0 HG1 THR B 7 -18.937 4.656 3.914 1.00 13.35 H new ATOM 0 HG21 THR B 7 -17.630 7.222 6.066 1.00 30.35 H new ATOM 0 HG22 THR B 7 -16.188 7.450 5.048 1.00 30.35 H new ATOM 0 HG23 THR B 7 -17.800 7.853 4.411 1.00 30.35 H new ATOM 1569 N VAL B 8 -15.643 3.797 2.151 1.00 5.41 N ATOM 1570 CA VAL B 8 -15.517 2.465 1.657 1.00 73.34 C ATOM 1571 C VAL B 8 -14.435 1.674 2.383 1.00 52.10 C ATOM 1572 O VAL B 8 -13.247 2.008 2.343 1.00 65.12 O ATOM 1573 CB VAL B 8 -15.331 2.414 0.097 1.00 62.11 C ATOM 1574 CG1 VAL B 8 -14.110 3.198 -0.365 1.00 71.32 C ATOM 1575 CG2 VAL B 8 -15.273 0.975 -0.409 1.00 51.01 C ATOM 0 H VAL B 8 -14.798 4.364 2.086 1.00 5.41 H new ATOM 0 HA VAL B 8 -16.466 1.974 1.875 1.00 73.34 H new ATOM 0 HB VAL B 8 -16.208 2.894 -0.337 1.00 62.11 H new ATOM 0 HG11 VAL B 8 -14.025 3.132 -1.450 1.00 71.32 H new ATOM 0 HG12 VAL B 8 -14.216 4.242 -0.072 1.00 71.32 H new ATOM 0 HG13 VAL B 8 -13.214 2.781 0.095 1.00 71.32 H new ATOM 0 HG21 VAL B 8 -15.144 0.975 -1.491 1.00 51.01 H new ATOM 0 HG22 VAL B 8 -14.433 0.459 0.057 1.00 51.01 H new ATOM 0 HG23 VAL B 8 -16.200 0.462 -0.154 1.00 51.01 H new ATOM 1585 N ARG B 9 -14.867 0.662 3.091 1.00 24.14 N ATOM 1586 CA ARG B 9 -13.982 -0.282 3.712 1.00 0.23 C ATOM 1587 C ARG B 9 -14.355 -1.631 3.156 1.00 23.31 C ATOM 1588 O ARG B 9 -15.195 -2.342 3.723 1.00 1.13 O ATOM 1589 CB ARG B 9 -14.043 -0.308 5.270 1.00 62.44 C ATOM 1590 CG ARG B 9 -13.673 0.994 5.999 1.00 61.32 C ATOM 1591 CD ARG B 9 -14.757 2.066 5.901 1.00 71.31 C ATOM 1592 NE ARG B 9 -14.346 3.306 6.572 1.00 41.53 N ATOM 1593 CZ ARG B 9 -15.158 4.177 7.197 1.00 52.14 C ATOM 1594 NH1 ARG B 9 -16.450 3.917 7.336 1.00 72.32 N ATOM 1595 NH2 ARG B 9 -14.658 5.292 7.713 1.00 2.24 N ATOM 0 H ARG B 9 -15.856 0.471 3.253 1.00 24.14 H new ATOM 0 HA ARG B 9 -12.955 0.007 3.488 1.00 0.23 H new ATOM 0 HB2 ARG B 9 -15.054 -0.588 5.566 1.00 62.44 H new ATOM 0 HB3 ARG B 9 -13.378 -1.096 5.623 1.00 62.44 H new ATOM 0 HG2 ARG B 9 -13.483 0.774 7.049 1.00 61.32 H new ATOM 0 HG3 ARG B 9 -12.745 1.385 5.582 1.00 61.32 H new ATOM 0 HD2 ARG B 9 -14.973 2.272 4.853 1.00 71.31 H new ATOM 0 HD3 ARG B 9 -15.679 1.696 6.350 1.00 71.31 H new ATOM 0 HE ARG B 9 -13.350 3.528 6.563 1.00 41.53 H new ATOM 0 HH11 ARG B 9 -16.838 3.049 6.967 1.00 72.32 H new ATOM 0 HH12 ARG B 9 -17.056 4.585 7.812 1.00 72.32 H new ATOM 0 HH21 ARG B 9 -13.660 5.487 7.635 1.00 2.24 H new ATOM 0 HH22 ARG B 9 -15.272 5.954 8.188 1.00 2.24 H new ATOM 1609 N PHE B 10 -13.789 -1.942 2.012 1.00 73.22 N ATOM 1610 CA PHE B 10 -14.153 -3.124 1.264 1.00 74.12 C ATOM 1611 C PHE B 10 -13.662 -4.389 1.962 1.00 52.53 C ATOM 1612 O PHE B 10 -12.477 -4.726 1.919 1.00 62.14 O ATOM 1613 CB PHE B 10 -13.610 -3.019 -0.177 1.00 10.43 C ATOM 1614 CG PHE B 10 -14.067 -4.106 -1.116 1.00 12.31 C ATOM 1615 CD1 PHE B 10 -15.287 -4.000 -1.766 1.00 10.42 C ATOM 1616 CD2 PHE B 10 -13.278 -5.219 -1.361 1.00 64.32 C ATOM 1617 CE1 PHE B 10 -15.711 -4.983 -2.638 1.00 5.02 C ATOM 1618 CE2 PHE B 10 -13.698 -6.204 -2.230 1.00 61.13 C ATOM 1619 CZ PHE B 10 -14.915 -6.088 -2.870 1.00 23.34 C ATOM 0 H PHE B 10 -13.060 -1.380 1.572 1.00 73.22 H new ATOM 0 HA PHE B 10 -15.240 -3.191 1.215 1.00 74.12 H new ATOM 0 HB2 PHE B 10 -13.907 -2.055 -0.591 1.00 10.43 H new ATOM 0 HB3 PHE B 10 -12.521 -3.028 -0.139 1.00 10.43 H new ATOM 0 HD1 PHE B 10 -15.913 -3.138 -1.588 1.00 10.42 H new ATOM 0 HD2 PHE B 10 -12.323 -5.316 -0.866 1.00 64.32 H new ATOM 0 HE1 PHE B 10 -16.664 -4.888 -3.138 1.00 5.02 H new ATOM 0 HE2 PHE B 10 -13.074 -7.067 -2.410 1.00 61.13 H new ATOM 0 HZ PHE B 10 -15.244 -6.859 -3.551 1.00 23.34 H new ATOM 1629 N ASP B 11 -14.565 -5.050 2.645 1.00 24.43 N ATOM 1630 CA ASP B 11 -14.247 -6.277 3.333 1.00 65.01 C ATOM 1631 C ASP B 11 -14.706 -7.460 2.513 1.00 20.12 C ATOM 1632 O ASP B 11 -15.912 -7.665 2.299 1.00 14.40 O ATOM 1633 CB ASP B 11 -14.874 -6.318 4.731 1.00 53.33 C ATOM 1634 CG ASP B 11 -14.502 -7.579 5.491 1.00 62.43 C ATOM 1635 OD1 ASP B 11 -15.274 -8.563 5.461 1.00 42.30 O ATOM 1636 OD2 ASP B 11 -13.414 -7.612 6.117 1.00 32.22 O ATOM 0 H ASP B 11 -15.537 -4.754 2.739 1.00 24.43 H new ATOM 0 HA ASP B 11 -13.165 -6.325 3.458 1.00 65.01 H new ATOM 0 HB2 ASP B 11 -14.550 -5.445 5.298 1.00 53.33 H new ATOM 0 HB3 ASP B 11 -15.959 -6.256 4.643 1.00 53.33 H new ATOM 1641 N PHE B 12 -13.750 -8.197 2.026 1.00 61.52 N ATOM 1642 CA PHE B 12 -13.970 -9.373 1.223 1.00 73.03 C ATOM 1643 C PHE B 12 -12.771 -10.277 1.390 1.00 0.45 C ATOM 1644 O PHE B 12 -11.639 -9.786 1.455 1.00 13.12 O ATOM 1645 CB PHE B 12 -14.158 -8.967 -0.252 1.00 15.05 C ATOM 1646 CG PHE B 12 -14.286 -10.111 -1.224 1.00 1.42 C ATOM 1647 CD1 PHE B 12 -15.416 -10.907 -1.242 1.00 1.22 C ATOM 1648 CD2 PHE B 12 -13.261 -10.387 -2.120 1.00 3.23 C ATOM 1649 CE1 PHE B 12 -15.524 -11.958 -2.132 1.00 52.14 C ATOM 1650 CE2 PHE B 12 -13.365 -11.434 -3.012 1.00 64.33 C ATOM 1651 CZ PHE B 12 -14.496 -12.218 -3.018 1.00 4.10 C ATOM 0 H PHE B 12 -12.763 -7.992 2.180 1.00 61.52 H new ATOM 0 HA PHE B 12 -14.871 -9.899 1.539 1.00 73.03 H new ATOM 0 HB2 PHE B 12 -15.050 -8.345 -0.329 1.00 15.05 H new ATOM 0 HB3 PHE B 12 -13.311 -8.350 -0.552 1.00 15.05 H new ATOM 0 HD1 PHE B 12 -16.223 -10.705 -0.553 1.00 1.22 H new ATOM 0 HD2 PHE B 12 -12.372 -9.774 -2.118 1.00 3.23 H new ATOM 0 HE1 PHE B 12 -16.410 -12.575 -2.135 1.00 52.14 H new ATOM 0 HE2 PHE B 12 -12.561 -11.638 -3.704 1.00 64.33 H new ATOM 0 HZ PHE B 12 -14.580 -13.038 -3.716 1.00 4.10 H new ATOM 1661 N ASP B 13 -13.014 -11.576 1.504 1.00 52.22 N ATOM 1662 CA ASP B 13 -11.934 -12.552 1.671 1.00 4.12 C ATOM 1663 C ASP B 13 -10.938 -12.492 0.532 1.00 64.53 C ATOM 1664 O ASP B 13 -11.325 -12.487 -0.639 1.00 75.02 O ATOM 1665 CB ASP B 13 -12.478 -13.969 1.838 1.00 42.40 C ATOM 1666 CG ASP B 13 -11.370 -15.003 1.821 1.00 14.03 C ATOM 1667 OD1 ASP B 13 -10.567 -15.068 2.797 1.00 64.22 O ATOM 1668 OD2 ASP B 13 -11.270 -15.756 0.825 1.00 42.34 O ATOM 0 H ASP B 13 -13.949 -11.983 1.484 1.00 52.22 H new ATOM 0 HA ASP B 13 -11.407 -12.283 2.587 1.00 4.12 H new ATOM 0 HB2 ASP B 13 -13.026 -14.039 2.777 1.00 42.40 H new ATOM 0 HB3 ASP B 13 -13.187 -14.183 1.038 1.00 42.40 H new ATOM 1673 N ASP B 14 -9.664 -12.455 0.889 1.00 3.43 N ATOM 1674 CA ASP B 14 -8.574 -12.304 -0.073 1.00 11.13 C ATOM 1675 C ASP B 14 -8.563 -13.313 -1.194 1.00 22.44 C ATOM 1676 O ASP B 14 -8.637 -14.535 -0.970 1.00 43.21 O ATOM 1677 CB ASP B 14 -7.200 -12.301 0.603 1.00 13.33 C ATOM 1678 CG ASP B 14 -6.056 -12.344 -0.415 1.00 61.45 C ATOM 1679 OD1 ASP B 14 -5.707 -11.294 -0.989 1.00 54.44 O ATOM 1680 OD2 ASP B 14 -5.520 -13.443 -0.675 1.00 73.05 O ATOM 0 H ASP B 14 -9.351 -12.529 1.857 1.00 3.43 H new ATOM 0 HA ASP B 14 -8.774 -11.332 -0.523 1.00 11.13 H new ATOM 0 HB2 ASP B 14 -7.102 -11.408 1.220 1.00 13.33 H new ATOM 0 HB3 ASP B 14 -7.123 -13.159 1.270 1.00 13.33 H new ATOM 1685 N ASN B 15 -8.482 -12.779 -2.388 1.00 51.22 N ATOM 1686 CA ASN B 15 -8.252 -13.521 -3.595 1.00 30.14 C ATOM 1687 C ASN B 15 -7.452 -12.609 -4.506 1.00 14.12 C ATOM 1688 O ASN B 15 -8.014 -11.840 -5.290 1.00 14.21 O ATOM 1689 CB ASN B 15 -9.564 -13.966 -4.282 1.00 2.12 C ATOM 1690 CG ASN B 15 -9.336 -14.882 -5.499 1.00 64.14 C ATOM 1691 OD1 ASN B 15 -8.312 -14.815 -6.184 1.00 63.54 O ATOM 1692 ND2 ASN B 15 -10.293 -15.729 -5.781 1.00 52.45 N ATOM 0 H ASN B 15 -8.579 -11.776 -2.548 1.00 51.22 H new ATOM 0 HA ASN B 15 -7.717 -14.443 -3.369 1.00 30.14 H new ATOM 0 HB2 ASN B 15 -10.187 -14.488 -3.556 1.00 2.12 H new ATOM 0 HB3 ASN B 15 -10.117 -13.082 -4.600 1.00 2.12 H new ATOM 0 HD21 ASN B 15 -10.202 -16.353 -6.583 1.00 52.45 H new ATOM 0 HD22 ASN B 15 -11.130 -15.765 -5.199 1.00 52.45 H new ATOM 1699 N ARG B 16 -6.147 -12.627 -4.330 1.00 72.52 N ATOM 1700 CA ARG B 16 -5.268 -11.757 -5.098 1.00 73.15 C ATOM 1701 C ARG B 16 -5.122 -12.195 -6.533 1.00 2.14 C ATOM 1702 O ARG B 16 -5.395 -13.352 -6.878 1.00 12.51 O ATOM 1703 CB ARG B 16 -3.886 -11.492 -4.444 1.00 2.23 C ATOM 1704 CG ARG B 16 -2.971 -12.693 -4.183 1.00 43.22 C ATOM 1705 CD ARG B 16 -3.474 -13.570 -3.060 1.00 5.04 C ATOM 1706 NE ARG B 16 -2.519 -14.607 -2.710 1.00 73.14 N ATOM 1707 CZ ARG B 16 -2.379 -15.108 -1.482 1.00 24.41 C ATOM 1708 NH1 ARG B 16 -3.202 -14.724 -0.513 1.00 43.25 N ATOM 1709 NH2 ARG B 16 -1.437 -16.015 -1.225 1.00 22.54 N ATOM 0 H ARG B 16 -5.668 -13.232 -3.664 1.00 72.52 H new ATOM 0 HA ARG B 16 -5.782 -10.796 -5.094 1.00 73.15 H new ATOM 0 HB2 ARG B 16 -3.344 -10.792 -5.080 1.00 2.23 H new ATOM 0 HB3 ARG B 16 -4.058 -10.990 -3.492 1.00 2.23 H new ATOM 0 HG2 ARG B 16 -2.887 -13.286 -5.093 1.00 43.22 H new ATOM 0 HG3 ARG B 16 -1.970 -12.337 -3.941 1.00 43.22 H new ATOM 0 HD2 ARG B 16 -3.679 -12.955 -2.184 1.00 5.04 H new ATOM 0 HD3 ARG B 16 -4.417 -14.030 -3.354 1.00 5.04 H new ATOM 0 HE ARG B 16 -1.919 -14.974 -3.448 1.00 73.14 H new ATOM 0 HH11 ARG B 16 -3.940 -14.047 -0.709 1.00 43.25 H new ATOM 0 HH12 ARG B 16 -3.097 -15.106 0.427 1.00 43.25 H new ATOM 0 HH21 ARG B 16 -0.816 -16.331 -1.970 1.00 22.54 H new ATOM 0 HH22 ARG B 16 -1.337 -16.393 -0.283 1.00 22.54 H new ATOM 1723 N LYS B 17 -4.693 -11.274 -7.357 1.00 74.32 N ATOM 1724 CA LYS B 17 -4.572 -11.496 -8.770 1.00 62.22 C ATOM 1725 C LYS B 17 -3.334 -10.819 -9.341 1.00 43.22 C ATOM 1726 O LYS B 17 -2.925 -9.755 -8.881 1.00 14.11 O ATOM 1727 CB LYS B 17 -5.876 -11.107 -9.551 1.00 2.33 C ATOM 1728 CG LYS B 17 -6.537 -9.745 -9.213 1.00 34.31 C ATOM 1729 CD LYS B 17 -7.217 -9.755 -7.831 1.00 72.24 C ATOM 1730 CE LYS B 17 -7.946 -8.460 -7.534 1.00 54.11 C ATOM 1731 NZ LYS B 17 -8.602 -8.472 -6.206 1.00 14.14 N ATOM 0 H LYS B 17 -4.415 -10.339 -7.060 1.00 74.32 H new ATOM 0 HA LYS B 17 -4.443 -12.569 -8.911 1.00 62.22 H new ATOM 0 HB2 LYS B 17 -5.644 -11.113 -10.616 1.00 2.33 H new ATOM 0 HB3 LYS B 17 -6.615 -11.890 -9.382 1.00 2.33 H new ATOM 0 HG2 LYS B 17 -5.781 -8.960 -9.238 1.00 34.31 H new ATOM 0 HG3 LYS B 17 -7.275 -9.502 -9.977 1.00 34.31 H new ATOM 0 HD2 LYS B 17 -7.922 -10.585 -7.783 1.00 72.24 H new ATOM 0 HD3 LYS B 17 -6.466 -9.930 -7.061 1.00 72.24 H new ATOM 0 HE2 LYS B 17 -7.240 -7.630 -7.580 1.00 54.11 H new ATOM 0 HE3 LYS B 17 -8.696 -8.284 -8.305 1.00 54.11 H new ATOM 0 HZ1 LYS B 17 -9.502 -7.954 -6.259 1.00 14.14 H new ATOM 0 HZ2 LYS B 17 -8.785 -9.454 -5.918 1.00 14.14 H new ATOM 0 HZ3 LYS B 17 -7.981 -8.016 -5.508 1.00 14.14 H new ATOM 1745 N LYS B 18 -2.736 -11.436 -10.344 1.00 31.24 N ATOM 1746 CA LYS B 18 -1.504 -10.921 -10.929 1.00 33.13 C ATOM 1747 C LYS B 18 -1.808 -9.864 -11.982 1.00 61.44 C ATOM 1748 O LYS B 18 -0.917 -9.161 -12.444 1.00 74.14 O ATOM 1749 CB LYS B 18 -0.652 -12.062 -11.526 1.00 51.40 C ATOM 1750 CG LYS B 18 -1.263 -12.761 -12.737 1.00 41.30 C ATOM 1751 CD LYS B 18 -0.410 -13.939 -13.188 1.00 5.05 C ATOM 1752 CE LYS B 18 -0.928 -14.551 -14.487 1.00 43.23 C ATOM 1753 NZ LYS B 18 -0.794 -13.622 -15.635 1.00 72.51 N ATOM 0 H LYS B 18 -3.081 -12.295 -10.773 1.00 31.24 H new ATOM 0 HA LYS B 18 -0.924 -10.453 -10.133 1.00 33.13 H new ATOM 0 HB2 LYS B 18 0.319 -11.658 -11.811 1.00 51.40 H new ATOM 0 HB3 LYS B 18 -0.473 -12.805 -10.749 1.00 51.40 H new ATOM 0 HG2 LYS B 18 -2.266 -13.110 -12.490 1.00 41.30 H new ATOM 0 HG3 LYS B 18 -1.366 -12.049 -13.556 1.00 41.30 H new ATOM 0 HD2 LYS B 18 0.620 -13.610 -13.327 1.00 5.05 H new ATOM 0 HD3 LYS B 18 -0.399 -14.699 -12.407 1.00 5.05 H new ATOM 0 HE2 LYS B 18 -0.380 -15.469 -14.698 1.00 43.23 H new ATOM 0 HE3 LYS B 18 -1.976 -14.826 -14.365 1.00 43.23 H new ATOM 0 HZ1 LYS B 18 -1.079 -14.108 -16.510 1.00 72.51 H new ATOM 0 HZ2 LYS B 18 -1.405 -12.794 -15.484 1.00 72.51 H new ATOM 0 HZ3 LYS B 18 0.195 -13.312 -15.717 1.00 72.51 H new ATOM 1767 N ALA B 19 -3.085 -9.759 -12.337 1.00 62.02 N ATOM 1768 CA ALA B 19 -3.584 -8.796 -13.320 1.00 3.05 C ATOM 1769 C ALA B 19 -3.158 -7.392 -12.972 1.00 62.35 C ATOM 1770 O ALA B 19 -2.696 -6.641 -13.824 1.00 53.43 O ATOM 1771 CB ALA B 19 -5.086 -8.845 -13.346 1.00 71.54 C ATOM 0 H ALA B 19 -3.817 -10.350 -11.944 1.00 62.02 H new ATOM 0 HA ALA B 19 -3.171 -9.061 -14.293 1.00 3.05 H new ATOM 0 HB1 ALA B 19 -5.461 -8.129 -14.077 1.00 71.54 H new ATOM 0 HB2 ALA B 19 -5.413 -9.848 -13.620 1.00 71.54 H new ATOM 0 HB3 ALA B 19 -5.475 -8.594 -12.359 1.00 71.54 H new ATOM 1777 N ILE B 20 -3.305 -7.056 -11.710 1.00 20.00 N ATOM 1778 CA ILE B 20 -2.947 -5.747 -11.200 1.00 13.35 C ATOM 1779 C ILE B 20 -1.456 -5.507 -11.370 1.00 53.32 C ATOM 1780 O ILE B 20 -1.025 -4.412 -11.744 1.00 72.23 O ATOM 1781 CB ILE B 20 -3.331 -5.625 -9.703 1.00 70.22 C ATOM 1782 CG1 ILE B 20 -4.851 -5.776 -9.535 1.00 53.12 C ATOM 1783 CG2 ILE B 20 -2.844 -4.306 -9.118 1.00 74.01 C ATOM 1784 CD1 ILE B 20 -5.334 -5.704 -8.101 1.00 2.53 C ATOM 0 H ILE B 20 -3.679 -7.687 -11.001 1.00 20.00 H new ATOM 0 HA ILE B 20 -3.496 -4.995 -11.767 1.00 13.35 H new ATOM 0 HB ILE B 20 -2.840 -6.428 -9.153 1.00 70.22 H new ATOM 0 HG12 ILE B 20 -5.347 -4.995 -10.112 1.00 53.12 H new ATOM 0 HG13 ILE B 20 -5.158 -6.731 -9.961 1.00 53.12 H new ATOM 0 HG21 ILE B 20 -3.127 -4.247 -8.067 1.00 74.01 H new ATOM 0 HG22 ILE B 20 -1.759 -4.248 -9.205 1.00 74.01 H new ATOM 0 HG23 ILE B 20 -3.297 -3.477 -9.662 1.00 74.01 H new ATOM 0 HD11 ILE B 20 -6.418 -5.820 -8.076 1.00 2.53 H new ATOM 0 HD12 ILE B 20 -4.870 -6.501 -7.520 1.00 2.53 H new ATOM 0 HD13 ILE B 20 -5.062 -4.739 -7.674 1.00 2.53 H new ATOM 1796 N SER B 21 -0.695 -6.549 -11.166 1.00 13.35 N ATOM 1797 CA SER B 21 0.742 -6.467 -11.237 1.00 43.14 C ATOM 1798 C SER B 21 1.163 -6.267 -12.695 1.00 22.02 C ATOM 1799 O SER B 21 2.027 -5.427 -13.004 1.00 31.12 O ATOM 1800 CB SER B 21 1.372 -7.731 -10.617 1.00 22.25 C ATOM 1801 OG SER B 21 2.787 -7.646 -10.546 1.00 23.11 O ATOM 0 H SER B 21 -1.052 -7.479 -10.946 1.00 13.35 H new ATOM 0 HA SER B 21 1.101 -5.613 -10.663 1.00 43.14 H new ATOM 0 HB2 SER B 21 0.968 -7.882 -9.616 1.00 22.25 H new ATOM 0 HB3 SER B 21 1.091 -8.602 -11.209 1.00 22.25 H new ATOM 0 HG SER B 21 3.094 -6.870 -11.060 1.00 23.11 H new ATOM 1807 N GLU B 22 0.520 -7.015 -13.583 1.00 13.31 N ATOM 1808 CA GLU B 22 0.751 -6.909 -15.014 1.00 62.44 C ATOM 1809 C GLU B 22 0.383 -5.513 -15.501 1.00 60.32 C ATOM 1810 O GLU B 22 1.107 -4.907 -16.299 1.00 13.01 O ATOM 1811 CB GLU B 22 -0.082 -7.952 -15.759 1.00 22.14 C ATOM 1812 CG GLU B 22 0.257 -9.388 -15.400 1.00 71.13 C ATOM 1813 CD GLU B 22 -0.595 -10.375 -16.142 1.00 2.22 C ATOM 1814 OE1 GLU B 22 -1.462 -11.023 -15.524 1.00 21.05 O ATOM 1815 OE2 GLU B 22 -0.435 -10.504 -17.372 1.00 40.25 O ATOM 0 H GLU B 22 -0.178 -7.714 -13.328 1.00 13.31 H new ATOM 0 HA GLU B 22 1.808 -7.089 -15.212 1.00 62.44 H new ATOM 0 HB2 GLU B 22 -1.137 -7.776 -15.549 1.00 22.14 H new ATOM 0 HB3 GLU B 22 0.057 -7.814 -16.831 1.00 22.14 H new ATOM 0 HG2 GLU B 22 1.307 -9.578 -15.622 1.00 71.13 H new ATOM 0 HG3 GLU B 22 0.127 -9.533 -14.327 1.00 71.13 H new ATOM 1822 N THR B 23 -0.734 -5.012 -14.996 1.00 14.52 N ATOM 1823 CA THR B 23 -1.220 -3.692 -15.335 1.00 12.40 C ATOM 1824 C THR B 23 -0.190 -2.617 -14.956 1.00 14.30 C ATOM 1825 O THR B 23 0.214 -1.810 -15.797 1.00 51.44 O ATOM 1826 CB THR B 23 -2.562 -3.401 -14.604 1.00 20.12 C ATOM 1827 OG1 THR B 23 -3.554 -4.366 -14.992 1.00 4.23 O ATOM 1828 CG2 THR B 23 -3.072 -1.998 -14.905 1.00 42.32 C ATOM 0 H THR B 23 -1.328 -5.515 -14.337 1.00 14.52 H new ATOM 0 HA THR B 23 -1.383 -3.663 -16.412 1.00 12.40 H new ATOM 0 HB THR B 23 -2.376 -3.473 -13.532 1.00 20.12 H new ATOM 0 HG1 THR B 23 -3.318 -5.244 -14.625 1.00 4.23 H new ATOM 0 HG21 THR B 23 -4.011 -1.831 -14.377 1.00 42.32 H new ATOM 0 HG22 THR B 23 -2.336 -1.265 -14.576 1.00 42.32 H new ATOM 0 HG23 THR B 23 -3.235 -1.892 -15.978 1.00 42.32 H new ATOM 1836 N LEU B 24 0.259 -2.643 -13.710 1.00 42.21 N ATOM 1837 CA LEU B 24 1.177 -1.630 -13.216 1.00 23.40 C ATOM 1838 C LEU B 24 2.532 -1.675 -13.915 1.00 35.43 C ATOM 1839 O LEU B 24 3.183 -0.641 -14.062 1.00 75.44 O ATOM 1840 CB LEU B 24 1.325 -1.697 -11.700 1.00 52.01 C ATOM 1841 CG LEU B 24 0.044 -1.483 -10.886 1.00 41.24 C ATOM 1842 CD1 LEU B 24 0.343 -1.575 -9.408 1.00 24.41 C ATOM 1843 CD2 LEU B 24 -0.600 -0.139 -11.217 1.00 24.23 C ATOM 0 H LEU B 24 0.003 -3.353 -13.024 1.00 42.21 H new ATOM 0 HA LEU B 24 0.734 -0.665 -13.462 1.00 23.40 H new ATOM 0 HB2 LEU B 24 1.739 -2.671 -11.439 1.00 52.01 H new ATOM 0 HB3 LEU B 24 2.055 -0.948 -11.393 1.00 52.01 H new ATOM 0 HG LEU B 24 -0.663 -2.269 -11.152 1.00 41.24 H new ATOM 0 HD11 LEU B 24 -0.575 -1.421 -8.841 1.00 24.41 H new ATOM 0 HD12 LEU B 24 0.750 -2.560 -9.180 1.00 24.41 H new ATOM 0 HD13 LEU B 24 1.070 -0.810 -9.136 1.00 24.41 H new ATOM 0 HD21 LEU B 24 -1.507 -0.014 -10.625 1.00 24.23 H new ATOM 0 HD22 LEU B 24 0.098 0.666 -10.986 1.00 24.23 H new ATOM 0 HD23 LEU B 24 -0.852 -0.107 -12.277 1.00 24.23 H new ATOM 1855 N GLU B 25 2.948 -2.865 -14.357 1.00 51.22 N ATOM 1856 CA GLU B 25 4.186 -3.004 -15.113 1.00 4.44 C ATOM 1857 C GLU B 25 4.098 -2.145 -16.386 1.00 4.15 C ATOM 1858 O GLU B 25 5.009 -1.371 -16.704 1.00 64.23 O ATOM 1859 CB GLU B 25 4.422 -4.479 -15.491 1.00 41.33 C ATOM 1860 CG GLU B 25 5.692 -4.708 -16.303 1.00 14.22 C ATOM 1861 CD GLU B 25 5.928 -6.163 -16.660 1.00 60.12 C ATOM 1862 OE1 GLU B 25 5.358 -6.643 -17.649 1.00 25.52 O ATOM 1863 OE2 GLU B 25 6.712 -6.840 -15.962 1.00 53.13 O ATOM 0 H GLU B 25 2.446 -3.739 -14.203 1.00 51.22 H new ATOM 0 HA GLU B 25 5.021 -2.668 -14.499 1.00 4.44 H new ATOM 0 HB2 GLU B 25 4.472 -5.075 -14.580 1.00 41.33 H new ATOM 0 HB3 GLU B 25 3.566 -4.840 -16.062 1.00 41.33 H new ATOM 0 HG2 GLU B 25 5.638 -4.121 -17.220 1.00 14.22 H new ATOM 0 HG3 GLU B 25 6.547 -4.338 -15.737 1.00 14.22 H new ATOM 1870 N THR B 26 2.976 -2.274 -17.072 1.00 21.31 N ATOM 1871 CA THR B 26 2.708 -1.548 -18.287 1.00 24.41 C ATOM 1872 C THR B 26 2.538 -0.041 -18.001 1.00 3.11 C ATOM 1873 O THR B 26 3.113 0.803 -18.701 1.00 11.51 O ATOM 1874 CB THR B 26 1.430 -2.100 -18.941 1.00 11.02 C ATOM 1875 OG1 THR B 26 1.582 -3.516 -19.155 1.00 32.22 O ATOM 1876 CG2 THR B 26 1.164 -1.417 -20.268 1.00 52.03 C ATOM 0 H THR B 26 2.219 -2.897 -16.791 1.00 21.31 H new ATOM 0 HA THR B 26 3.554 -1.675 -18.963 1.00 24.41 H new ATOM 0 HB THR B 26 0.587 -1.907 -18.278 1.00 11.02 H new ATOM 0 HG1 THR B 26 1.432 -3.992 -18.312 1.00 32.22 H new ATOM 0 HG21 THR B 26 0.255 -1.824 -20.711 1.00 52.03 H new ATOM 0 HG22 THR B 26 1.041 -0.346 -20.108 1.00 52.03 H new ATOM 0 HG23 THR B 26 2.004 -1.589 -20.941 1.00 52.03 H new ATOM 1884 N VAL B 27 1.761 0.280 -16.956 1.00 25.25 N ATOM 1885 CA VAL B 27 1.507 1.673 -16.560 1.00 21.50 C ATOM 1886 C VAL B 27 2.819 2.410 -16.290 1.00 72.02 C ATOM 1887 O VAL B 27 3.010 3.553 -16.731 1.00 4.52 O ATOM 1888 CB VAL B 27 0.582 1.757 -15.301 1.00 12.05 C ATOM 1889 CG1 VAL B 27 0.396 3.195 -14.862 1.00 23.55 C ATOM 1890 CG2 VAL B 27 -0.775 1.136 -15.590 1.00 40.41 C ATOM 0 H VAL B 27 1.295 -0.411 -16.367 1.00 25.25 H new ATOM 0 HA VAL B 27 0.993 2.154 -17.392 1.00 21.50 H new ATOM 0 HB VAL B 27 1.066 1.202 -14.497 1.00 12.05 H new ATOM 0 HG11 VAL B 27 -0.251 3.227 -13.985 1.00 23.55 H new ATOM 0 HG12 VAL B 27 1.365 3.628 -14.614 1.00 23.55 H new ATOM 0 HG13 VAL B 27 -0.060 3.766 -15.670 1.00 23.55 H new ATOM 0 HG21 VAL B 27 -1.403 1.205 -14.702 1.00 40.41 H new ATOM 0 HG22 VAL B 27 -1.251 1.669 -16.413 1.00 40.41 H new ATOM 0 HG23 VAL B 27 -0.645 0.089 -15.863 1.00 40.41 H new ATOM 1900 N TYR B 28 3.724 1.737 -15.602 1.00 73.21 N ATOM 1901 CA TYR B 28 5.014 2.308 -15.281 1.00 72.43 C ATOM 1902 C TYR B 28 5.787 2.629 -16.560 1.00 15.32 C ATOM 1903 O TYR B 28 6.315 3.740 -16.719 1.00 54.13 O ATOM 1904 CB TYR B 28 5.830 1.347 -14.381 1.00 32.04 C ATOM 1905 CG TYR B 28 7.211 1.870 -13.998 1.00 22.20 C ATOM 1906 CD1 TYR B 28 8.269 1.759 -14.872 1.00 15.23 C ATOM 1907 CD2 TYR B 28 7.447 2.483 -12.769 1.00 1.14 C ATOM 1908 CE1 TYR B 28 9.504 2.237 -14.558 1.00 0.13 C ATOM 1909 CE2 TYR B 28 8.706 2.966 -12.442 1.00 11.23 C ATOM 1910 CZ TYR B 28 9.728 2.835 -13.348 1.00 74.12 C ATOM 1911 OH TYR B 28 10.978 3.327 -13.055 1.00 4.34 O ATOM 0 H TYR B 28 3.585 0.788 -15.254 1.00 73.21 H new ATOM 0 HA TYR B 28 4.852 3.235 -14.731 1.00 72.43 H new ATOM 0 HB2 TYR B 28 5.263 1.150 -13.471 1.00 32.04 H new ATOM 0 HB3 TYR B 28 5.945 0.394 -14.897 1.00 32.04 H new ATOM 0 HD1 TYR B 28 8.115 1.282 -15.829 1.00 15.23 H new ATOM 0 HD2 TYR B 28 6.638 2.584 -12.061 1.00 1.14 H new ATOM 0 HE1 TYR B 28 10.312 2.144 -15.268 1.00 0.13 H new ATOM 0 HE2 TYR B 28 8.879 3.439 -11.487 1.00 11.23 H new ATOM 0 HH TYR B 28 11.636 2.603 -13.112 1.00 4.34 H new ATOM 1921 N ARG B 29 5.829 1.667 -17.480 1.00 45.51 N ATOM 1922 CA ARG B 29 6.585 1.830 -18.711 1.00 41.15 C ATOM 1923 C ARG B 29 6.031 2.937 -19.597 1.00 53.14 C ATOM 1924 O ARG B 29 6.783 3.619 -20.279 1.00 45.32 O ATOM 1925 CB ARG B 29 6.718 0.525 -19.495 1.00 60.42 C ATOM 1926 CG ARG B 29 7.462 -0.565 -18.751 1.00 63.02 C ATOM 1927 CD ARG B 29 7.740 -1.757 -19.647 1.00 53.52 C ATOM 1928 NE ARG B 29 8.597 -1.385 -20.791 1.00 45.25 N ATOM 1929 CZ ARG B 29 9.141 -2.249 -21.667 1.00 43.24 C ATOM 1930 NH1 ARG B 29 8.936 -3.562 -21.545 1.00 63.52 N ATOM 1931 NH2 ARG B 29 9.891 -1.790 -22.665 1.00 33.23 N ATOM 0 H ARG B 29 5.349 0.771 -17.393 1.00 45.51 H new ATOM 0 HA ARG B 29 7.585 2.130 -18.399 1.00 41.15 H new ATOM 0 HB2 ARG B 29 5.722 0.163 -19.750 1.00 60.42 H new ATOM 0 HB3 ARG B 29 7.234 0.727 -20.434 1.00 60.42 H new ATOM 0 HG2 ARG B 29 8.402 -0.169 -18.368 1.00 63.02 H new ATOM 0 HG3 ARG B 29 6.876 -0.885 -17.889 1.00 63.02 H new ATOM 0 HD2 ARG B 29 8.225 -2.543 -19.068 1.00 53.52 H new ATOM 0 HD3 ARG B 29 6.798 -2.165 -20.014 1.00 53.52 H new ATOM 0 HE ARG B 29 8.792 -0.393 -20.928 1.00 45.25 H new ATOM 0 HH11 ARG B 29 8.362 -3.920 -20.782 1.00 63.52 H new ATOM 0 HH12 ARG B 29 9.353 -4.208 -22.215 1.00 63.52 H new ATOM 0 HH21 ARG B 29 10.051 -0.787 -22.763 1.00 33.23 H new ATOM 0 HH22 ARG B 29 10.306 -2.441 -23.332 1.00 33.23 H new ATOM 1945 N ALA B 30 4.730 3.124 -19.568 1.00 3.24 N ATOM 1946 CA ALA B 30 4.101 4.167 -20.365 1.00 31.34 C ATOM 1947 C ALA B 30 4.543 5.556 -19.890 1.00 5.03 C ATOM 1948 O ALA B 30 4.813 6.450 -20.696 1.00 11.52 O ATOM 1949 CB ALA B 30 2.586 4.038 -20.308 1.00 31.43 C ATOM 0 H ALA B 30 4.084 2.572 -19.004 1.00 3.24 H new ATOM 0 HA ALA B 30 4.419 4.046 -21.400 1.00 31.34 H new ATOM 0 HB1 ALA B 30 2.131 4.825 -20.909 1.00 31.43 H new ATOM 0 HB2 ALA B 30 2.289 3.065 -20.699 1.00 31.43 H new ATOM 0 HB3 ALA B 30 2.252 4.131 -19.275 1.00 31.43 H new ATOM 1955 N LEU B 31 4.649 5.714 -18.588 1.00 14.30 N ATOM 1956 CA LEU B 31 5.021 6.983 -17.991 1.00 63.54 C ATOM 1957 C LEU B 31 6.478 7.329 -18.172 1.00 23.11 C ATOM 1958 O LEU B 31 6.816 8.509 -18.272 1.00 44.10 O ATOM 1959 CB LEU B 31 4.591 7.039 -16.539 1.00 72.03 C ATOM 1960 CG LEU B 31 3.090 7.094 -16.349 1.00 41.31 C ATOM 1961 CD1 LEU B 31 2.696 6.772 -14.935 1.00 23.33 C ATOM 1962 CD2 LEU B 31 2.580 8.470 -16.702 1.00 14.12 C ATOM 0 H LEU B 31 4.480 4.969 -17.912 1.00 14.30 H new ATOM 0 HA LEU B 31 4.479 7.757 -18.534 1.00 63.54 H new ATOM 0 HB2 LEU B 31 4.982 6.164 -16.020 1.00 72.03 H new ATOM 0 HB3 LEU B 31 5.040 7.915 -16.070 1.00 72.03 H new ATOM 0 HG LEU B 31 2.647 6.346 -17.007 1.00 41.31 H new ATOM 0 HD11 LEU B 31 1.611 6.822 -14.839 1.00 23.33 H new ATOM 0 HD12 LEU B 31 3.037 5.768 -14.682 1.00 23.33 H new ATOM 0 HD13 LEU B 31 3.154 7.492 -14.257 1.00 23.33 H new ATOM 0 HD21 LEU B 31 1.499 8.504 -16.564 1.00 14.12 H new ATOM 0 HD22 LEU B 31 3.052 9.210 -16.056 1.00 14.12 H new ATOM 0 HD23 LEU B 31 2.820 8.691 -17.742 1.00 14.12 H new ATOM 1974 N GLU B 32 7.348 6.332 -18.238 1.00 34.45 N ATOM 1975 CA GLU B 32 8.748 6.634 -18.472 1.00 34.04 C ATOM 1976 C GLU B 32 8.970 7.072 -19.914 1.00 73.22 C ATOM 1977 O GLU B 32 9.788 7.939 -20.181 1.00 73.12 O ATOM 1978 CB GLU B 32 9.700 5.503 -18.072 1.00 51.11 C ATOM 1979 CG GLU B 32 9.454 4.174 -18.741 1.00 61.32 C ATOM 1980 CD GLU B 32 10.548 3.172 -18.449 1.00 13.42 C ATOM 1981 OE1 GLU B 32 10.551 2.566 -17.376 1.00 74.53 O ATOM 1982 OE2 GLU B 32 11.429 2.970 -19.319 1.00 14.43 O ATOM 0 H GLU B 32 7.120 5.343 -18.137 1.00 34.45 H new ATOM 0 HA GLU B 32 8.997 7.465 -17.811 1.00 34.04 H new ATOM 0 HB2 GLU B 32 10.720 5.817 -18.293 1.00 51.11 H new ATOM 0 HB3 GLU B 32 9.636 5.363 -16.993 1.00 51.11 H new ATOM 0 HG2 GLU B 32 8.498 3.772 -18.405 1.00 61.32 H new ATOM 0 HG3 GLU B 32 9.377 4.321 -19.818 1.00 61.32 H new ATOM 1989 N GLU B 33 8.206 6.494 -20.833 1.00 24.15 N ATOM 1990 CA GLU B 33 8.278 6.884 -22.249 1.00 71.33 C ATOM 1991 C GLU B 33 7.778 8.317 -22.418 1.00 31.42 C ATOM 1992 O GLU B 33 8.243 9.057 -23.283 1.00 54.44 O ATOM 1993 CB GLU B 33 7.434 5.955 -23.129 1.00 64.11 C ATOM 1994 CG GLU B 33 7.791 4.486 -23.039 1.00 4.04 C ATOM 1995 CD GLU B 33 9.219 4.183 -23.408 1.00 54.24 C ATOM 1996 OE1 GLU B 33 10.103 4.292 -22.541 1.00 21.34 O ATOM 1997 OE2 GLU B 33 9.473 3.768 -24.548 1.00 64.40 O ATOM 0 H GLU B 33 7.531 5.757 -20.632 1.00 24.15 H new ATOM 0 HA GLU B 33 9.319 6.809 -22.562 1.00 71.33 H new ATOM 0 HB2 GLU B 33 6.385 6.076 -22.857 1.00 64.11 H new ATOM 0 HB3 GLU B 33 7.533 6.274 -24.167 1.00 64.11 H new ATOM 0 HG2 GLU B 33 7.607 4.139 -22.022 1.00 4.04 H new ATOM 0 HG3 GLU B 33 7.129 3.920 -23.694 1.00 4.04 H new ATOM 2004 N LYS B 34 6.829 8.692 -21.575 1.00 65.41 N ATOM 2005 CA LYS B 34 6.232 10.027 -21.596 1.00 12.41 C ATOM 2006 C LYS B 34 7.030 11.024 -20.760 1.00 33.12 C ATOM 2007 O LYS B 34 6.754 12.220 -20.779 1.00 34.11 O ATOM 2008 CB LYS B 34 4.780 9.959 -21.121 1.00 52.23 C ATOM 2009 CG LYS B 34 3.860 9.195 -22.063 1.00 55.23 C ATOM 2010 CD LYS B 34 3.632 9.950 -23.370 1.00 23.44 C ATOM 2011 CE LYS B 34 2.742 11.165 -23.163 1.00 10.12 C ATOM 2012 NZ LYS B 34 2.592 11.961 -24.398 1.00 51.20 N ATOM 0 H LYS B 34 6.447 8.081 -20.853 1.00 65.41 H new ATOM 0 HA LYS B 34 6.254 10.386 -22.625 1.00 12.41 H new ATOM 0 HB2 LYS B 34 4.751 9.488 -20.138 1.00 52.23 H new ATOM 0 HB3 LYS B 34 4.399 10.973 -21.000 1.00 52.23 H new ATOM 0 HG2 LYS B 34 4.291 8.217 -22.279 1.00 55.23 H new ATOM 0 HG3 LYS B 34 2.902 9.020 -21.573 1.00 55.23 H new ATOM 0 HD2 LYS B 34 4.591 10.266 -23.781 1.00 23.44 H new ATOM 0 HD3 LYS B 34 3.175 9.283 -24.102 1.00 23.44 H new ATOM 0 HE2 LYS B 34 1.760 10.840 -22.820 1.00 10.12 H new ATOM 0 HE3 LYS B 34 3.163 11.792 -22.377 1.00 10.12 H new ATOM 0 HZ1 LYS B 34 1.978 12.779 -24.211 1.00 51.20 H new ATOM 0 HZ2 LYS B 34 3.526 12.294 -24.712 1.00 51.20 H new ATOM 0 HZ3 LYS B 34 2.167 11.371 -25.142 1.00 51.20 H new ATOM 2026 N GLY B 35 7.992 10.529 -20.018 1.00 70.24 N ATOM 2027 CA GLY B 35 8.853 11.393 -19.243 1.00 53.14 C ATOM 2028 C GLY B 35 8.218 11.908 -17.964 1.00 52.44 C ATOM 2029 O GLY B 35 8.610 12.959 -17.455 1.00 4.03 O ATOM 0 H GLY B 35 8.199 9.534 -19.934 1.00 70.24 H new ATOM 0 HA2 GLY B 35 9.764 10.851 -18.992 1.00 53.14 H new ATOM 0 HA3 GLY B 35 9.147 12.243 -19.859 1.00 53.14 H new ATOM 2033 N TYR B 36 7.249 11.189 -17.441 1.00 53.25 N ATOM 2034 CA TYR B 36 6.626 11.572 -16.182 1.00 65.02 C ATOM 2035 C TYR B 36 7.251 10.781 -15.071 1.00 12.35 C ATOM 2036 O TYR B 36 8.187 10.015 -15.307 1.00 24.14 O ATOM 2037 CB TYR B 36 5.107 11.309 -16.176 1.00 62.22 C ATOM 2038 CG TYR B 36 4.313 12.134 -17.146 1.00 13.05 C ATOM 2039 CD1 TYR B 36 3.743 11.565 -18.270 1.00 0.52 C ATOM 2040 CD2 TYR B 36 4.140 13.496 -16.936 1.00 73.41 C ATOM 2041 CE1 TYR B 36 3.017 12.336 -19.166 1.00 13.43 C ATOM 2042 CE2 TYR B 36 3.417 14.268 -17.818 1.00 4.44 C ATOM 2043 CZ TYR B 36 2.860 13.686 -18.931 1.00 20.20 C ATOM 2044 OH TYR B 36 2.143 14.457 -19.817 1.00 55.13 O ATOM 0 H TYR B 36 6.873 10.339 -17.862 1.00 53.25 H new ATOM 0 HA TYR B 36 6.783 12.642 -16.048 1.00 65.02 H new ATOM 0 HB2 TYR B 36 4.936 10.255 -16.395 1.00 62.22 H new ATOM 0 HB3 TYR B 36 4.726 11.492 -15.171 1.00 62.22 H new ATOM 0 HD1 TYR B 36 3.865 10.507 -18.453 1.00 0.52 H new ATOM 0 HD2 TYR B 36 4.581 13.958 -16.065 1.00 73.41 H new ATOM 0 HE1 TYR B 36 2.578 11.882 -20.042 1.00 13.43 H new ATOM 0 HE2 TYR B 36 3.289 15.325 -17.636 1.00 4.44 H new ATOM 0 HH TYR B 36 2.127 15.386 -19.504 1.00 55.13 H new ATOM 2054 N ASN B 37 6.759 10.973 -13.869 1.00 20.23 N ATOM 2055 CA ASN B 37 7.179 10.166 -12.744 1.00 13.35 C ATOM 2056 C ASN B 37 6.132 9.100 -12.522 1.00 22.14 C ATOM 2057 O ASN B 37 5.081 9.389 -11.928 1.00 14.14 O ATOM 2058 CB ASN B 37 7.321 10.989 -11.449 1.00 75.21 C ATOM 2059 CG ASN B 37 8.393 12.054 -11.483 1.00 25.43 C ATOM 2060 OD1 ASN B 37 8.135 13.193 -11.847 1.00 64.12 O ATOM 2061 ND2 ASN B 37 9.587 11.699 -11.094 1.00 4.20 N ATOM 0 H ASN B 37 6.064 11.685 -13.643 1.00 20.23 H new ATOM 0 HA ASN B 37 8.157 9.742 -12.974 1.00 13.35 H new ATOM 0 HB2 ASN B 37 6.364 11.464 -11.232 1.00 75.21 H new ATOM 0 HB3 ASN B 37 7.533 10.308 -10.625 1.00 75.21 H new ATOM 0 HD21 ASN B 37 10.345 12.382 -11.086 1.00 4.20 H new ATOM 0 HD22 ASN B 37 9.762 10.739 -10.798 1.00 4.20 H new ATOM 2068 N PRO B 38 6.361 7.864 -13.044 1.00 30.42 N ATOM 2069 CA PRO B 38 5.431 6.751 -12.900 1.00 51.24 C ATOM 2070 C PRO B 38 4.911 6.586 -11.492 1.00 63.35 C ATOM 2071 O PRO B 38 3.728 6.355 -11.284 1.00 54.04 O ATOM 2072 CB PRO B 38 6.268 5.540 -13.269 1.00 32.14 C ATOM 2073 CG PRO B 38 7.294 6.043 -14.212 1.00 13.44 C ATOM 2074 CD PRO B 38 7.531 7.481 -13.864 1.00 75.30 C ATOM 0 HA PRO B 38 4.546 6.901 -13.518 1.00 51.24 H new ATOM 0 HB2 PRO B 38 6.729 5.097 -12.386 1.00 32.14 H new ATOM 0 HB3 PRO B 38 5.656 4.765 -13.731 1.00 32.14 H new ATOM 0 HG2 PRO B 38 8.215 5.467 -14.125 1.00 13.44 H new ATOM 0 HG3 PRO B 38 6.953 5.945 -15.243 1.00 13.44 H new ATOM 0 HD2 PRO B 38 8.461 7.607 -13.310 1.00 75.30 H new ATOM 0 HD3 PRO B 38 7.607 8.098 -14.759 1.00 75.30 H new ATOM 2082 N ILE B 39 5.790 6.755 -10.535 1.00 50.41 N ATOM 2083 CA ILE B 39 5.447 6.545 -9.157 1.00 75.21 C ATOM 2084 C ILE B 39 4.457 7.590 -8.667 1.00 72.12 C ATOM 2085 O ILE B 39 3.439 7.239 -8.072 1.00 62.15 O ATOM 2086 CB ILE B 39 6.706 6.509 -8.272 1.00 64.41 C ATOM 2087 CG1 ILE B 39 7.681 5.445 -8.812 1.00 53.32 C ATOM 2088 CG2 ILE B 39 6.348 6.232 -6.811 1.00 21.14 C ATOM 2089 CD1 ILE B 39 7.082 4.047 -8.938 1.00 43.54 C ATOM 0 H ILE B 39 6.757 7.040 -10.691 1.00 50.41 H new ATOM 0 HA ILE B 39 4.960 5.573 -9.082 1.00 75.21 H new ATOM 0 HB ILE B 39 7.189 7.486 -8.306 1.00 64.41 H new ATOM 0 HG12 ILE B 39 8.040 5.763 -9.791 1.00 53.32 H new ATOM 0 HG13 ILE B 39 8.549 5.397 -8.154 1.00 53.32 H new ATOM 0 HG21 ILE B 39 7.258 6.213 -6.211 1.00 21.14 H new ATOM 0 HG22 ILE B 39 5.687 7.017 -6.443 1.00 21.14 H new ATOM 0 HG23 ILE B 39 5.843 5.269 -6.736 1.00 21.14 H new ATOM 0 HD11 ILE B 39 7.836 3.362 -9.325 1.00 43.54 H new ATOM 0 HD12 ILE B 39 6.749 3.704 -7.958 1.00 43.54 H new ATOM 0 HD13 ILE B 39 6.233 4.075 -9.621 1.00 43.54 H new ATOM 2101 N ASN B 40 4.730 8.865 -8.961 1.00 12.54 N ATOM 2102 CA ASN B 40 3.834 9.952 -8.537 1.00 25.54 C ATOM 2103 C ASN B 40 2.465 9.801 -9.153 1.00 71.05 C ATOM 2104 O ASN B 40 1.451 10.021 -8.492 1.00 72.12 O ATOM 2105 CB ASN B 40 4.384 11.360 -8.858 1.00 25.21 C ATOM 2106 CG ASN B 40 5.629 11.730 -8.077 1.00 42.35 C ATOM 2107 OD1 ASN B 40 5.851 11.252 -6.968 1.00 44.34 O ATOM 2108 ND2 ASN B 40 6.424 12.625 -8.620 1.00 11.44 N ATOM 0 H ASN B 40 5.551 9.170 -9.483 1.00 12.54 H new ATOM 0 HA ASN B 40 3.765 9.865 -7.453 1.00 25.54 H new ATOM 0 HB2 ASN B 40 4.606 11.418 -9.924 1.00 25.21 H new ATOM 0 HB3 ASN B 40 3.607 12.097 -8.654 1.00 25.21 H new ATOM 0 HD21 ASN B 40 7.253 12.942 -8.118 1.00 11.44 H new ATOM 0 HD22 ASN B 40 6.211 13.003 -9.543 1.00 11.44 H new ATOM 2115 N GLN B 41 2.425 9.407 -10.412 1.00 50.41 N ATOM 2116 CA GLN B 41 1.162 9.262 -11.107 1.00 31.12 C ATOM 2117 C GLN B 41 0.343 8.099 -10.531 1.00 25.34 C ATOM 2118 O GLN B 41 -0.872 8.208 -10.387 1.00 53.52 O ATOM 2119 CB GLN B 41 1.385 9.082 -12.607 1.00 11.01 C ATOM 2120 CG GLN B 41 2.177 10.218 -13.269 1.00 12.30 C ATOM 2121 CD GLN B 41 1.514 11.592 -13.161 1.00 41.32 C ATOM 2122 OE1 GLN B 41 2.198 12.616 -13.099 1.00 12.33 O ATOM 2123 NE2 GLN B 41 0.212 11.638 -13.188 1.00 23.34 N ATOM 0 H GLN B 41 3.248 9.183 -10.971 1.00 50.41 H new ATOM 0 HA GLN B 41 0.590 10.178 -10.957 1.00 31.12 H new ATOM 0 HB2 GLN B 41 1.912 8.142 -12.774 1.00 11.01 H new ATOM 0 HB3 GLN B 41 0.416 8.996 -13.099 1.00 11.01 H new ATOM 0 HG2 GLN B 41 3.167 10.268 -12.815 1.00 12.30 H new ATOM 0 HG3 GLN B 41 2.321 9.979 -14.323 1.00 12.30 H new ATOM 0 HE21 GLN B 41 -0.328 10.774 -13.239 1.00 23.34 H new ATOM 0 HE22 GLN B 41 -0.267 12.538 -13.158 1.00 23.34 H new ATOM 2132 N ILE B 42 1.014 7.001 -10.180 1.00 22.30 N ATOM 2133 CA ILE B 42 0.321 5.845 -9.613 1.00 34.35 C ATOM 2134 C ILE B 42 -0.178 6.138 -8.194 1.00 42.41 C ATOM 2135 O ILE B 42 -1.357 5.922 -7.901 1.00 4.45 O ATOM 2136 CB ILE B 42 1.176 4.542 -9.639 1.00 54.24 C ATOM 2137 CG1 ILE B 42 1.527 4.167 -11.093 1.00 10.21 C ATOM 2138 CG2 ILE B 42 0.422 3.387 -8.958 1.00 51.32 C ATOM 2139 CD1 ILE B 42 2.411 2.938 -11.230 1.00 51.45 C ATOM 0 H ILE B 42 2.023 6.888 -10.277 1.00 22.30 H new ATOM 0 HA ILE B 42 -0.540 5.665 -10.257 1.00 34.35 H new ATOM 0 HB ILE B 42 2.099 4.722 -9.089 1.00 54.24 H new ATOM 0 HG12 ILE B 42 0.602 3.997 -11.645 1.00 10.21 H new ATOM 0 HG13 ILE B 42 2.028 5.014 -11.563 1.00 10.21 H new ATOM 0 HG21 ILE B 42 1.035 2.486 -8.986 1.00 51.32 H new ATOM 0 HG22 ILE B 42 0.212 3.651 -7.922 1.00 51.32 H new ATOM 0 HG23 ILE B 42 -0.516 3.205 -9.483 1.00 51.32 H new ATOM 0 HD11 ILE B 42 2.608 2.747 -12.285 1.00 51.45 H new ATOM 0 HD12 ILE B 42 3.354 3.108 -10.710 1.00 51.45 H new ATOM 0 HD13 ILE B 42 1.906 2.076 -10.793 1.00 51.45 H new ATOM 2151 N VAL B 43 0.702 6.657 -7.321 1.00 3.34 N ATOM 2152 CA VAL B 43 0.284 6.986 -5.948 1.00 73.34 C ATOM 2153 C VAL B 43 -0.866 8.006 -5.971 1.00 32.21 C ATOM 2154 O VAL B 43 -1.855 7.868 -5.235 1.00 54.04 O ATOM 2155 CB VAL B 43 1.479 7.465 -5.018 1.00 54.02 C ATOM 2156 CG1 VAL B 43 2.208 8.658 -5.601 1.00 2.23 C ATOM 2157 CG2 VAL B 43 0.980 7.818 -3.619 1.00 0.25 C ATOM 0 H VAL B 43 1.680 6.853 -7.533 1.00 3.34 H new ATOM 0 HA VAL B 43 -0.075 6.061 -5.497 1.00 73.34 H new ATOM 0 HB VAL B 43 2.176 6.629 -4.955 1.00 54.02 H new ATOM 0 HG11 VAL B 43 3.017 8.952 -4.933 1.00 2.23 H new ATOM 0 HG12 VAL B 43 2.620 8.392 -6.575 1.00 2.23 H new ATOM 0 HG13 VAL B 43 1.512 9.489 -5.716 1.00 2.23 H new ATOM 0 HG21 VAL B 43 1.820 8.143 -3.004 1.00 0.25 H new ATOM 0 HG22 VAL B 43 0.247 8.622 -3.686 1.00 0.25 H new ATOM 0 HG23 VAL B 43 0.516 6.942 -3.166 1.00 0.25 H new ATOM 2167 N GLY B 44 -0.756 8.983 -6.868 1.00 33.25 N ATOM 2168 CA GLY B 44 -1.788 9.972 -7.025 1.00 35.45 C ATOM 2169 C GLY B 44 -3.089 9.355 -7.487 1.00 12.14 C ATOM 2170 O GLY B 44 -4.175 9.749 -7.025 1.00 10.12 O ATOM 0 H GLY B 44 0.043 9.100 -7.492 1.00 33.25 H new ATOM 0 HA2 GLY B 44 -1.946 10.487 -6.077 1.00 35.45 H new ATOM 0 HA3 GLY B 44 -1.465 10.723 -7.746 1.00 35.45 H new ATOM 2174 N TYR B 45 -2.989 8.375 -8.394 1.00 1.42 N ATOM 2175 CA TYR B 45 -4.162 7.690 -8.893 1.00 53.05 C ATOM 2176 C TYR B 45 -4.882 6.967 -7.792 1.00 62.04 C ATOM 2177 O TYR B 45 -6.037 7.191 -7.597 1.00 63.24 O ATOM 2178 CB TYR B 45 -3.855 6.706 -10.039 1.00 25.33 C ATOM 2179 CG TYR B 45 -5.099 5.937 -10.509 1.00 41.02 C ATOM 2180 CD1 TYR B 45 -5.447 4.709 -9.937 1.00 1.41 C ATOM 2181 CD2 TYR B 45 -5.925 6.445 -11.495 1.00 34.12 C ATOM 2182 CE1 TYR B 45 -6.566 4.026 -10.336 1.00 55.13 C ATOM 2183 CE2 TYR B 45 -7.054 5.757 -11.901 1.00 13.42 C ATOM 2184 CZ TYR B 45 -7.366 4.553 -11.315 1.00 12.44 C ATOM 2185 OH TYR B 45 -8.481 3.870 -11.719 1.00 21.24 O ATOM 0 H TYR B 45 -2.107 8.048 -8.789 1.00 1.42 H new ATOM 0 HA TYR B 45 -4.804 8.473 -9.298 1.00 53.05 H new ATOM 0 HB2 TYR B 45 -3.433 7.255 -10.881 1.00 25.33 H new ATOM 0 HB3 TYR B 45 -3.097 5.996 -9.709 1.00 25.33 H new ATOM 0 HD1 TYR B 45 -4.820 4.290 -9.164 1.00 1.41 H new ATOM 0 HD2 TYR B 45 -5.685 7.392 -11.955 1.00 34.12 H new ATOM 0 HE1 TYR B 45 -6.815 3.079 -9.882 1.00 55.13 H new ATOM 0 HE2 TYR B 45 -7.688 6.164 -12.675 1.00 13.42 H new ATOM 0 HH TYR B 45 -8.213 3.096 -12.258 1.00 21.24 H new ATOM 2195 N LEU B 46 -4.197 6.107 -7.072 1.00 54.14 N ATOM 2196 CA LEU B 46 -4.853 5.317 -6.033 1.00 75.51 C ATOM 2197 C LEU B 46 -5.466 6.151 -4.935 1.00 53.13 C ATOM 2198 O LEU B 46 -6.483 5.782 -4.382 1.00 61.21 O ATOM 2199 CB LEU B 46 -4.015 4.176 -5.468 1.00 72.12 C ATOM 2200 CG LEU B 46 -3.767 2.960 -6.377 1.00 12.43 C ATOM 2201 CD1 LEU B 46 -2.875 3.276 -7.543 1.00 62.32 C ATOM 2202 CD2 LEU B 46 -3.224 1.815 -5.573 1.00 63.25 C ATOM 0 H LEU B 46 -3.198 5.932 -7.178 1.00 54.14 H new ATOM 0 HA LEU B 46 -5.673 4.839 -6.569 1.00 75.51 H new ATOM 0 HB2 LEU B 46 -3.046 4.582 -5.177 1.00 72.12 H new ATOM 0 HB3 LEU B 46 -4.498 3.822 -4.557 1.00 72.12 H new ATOM 0 HG LEU B 46 -4.729 2.672 -6.801 1.00 12.43 H new ATOM 0 HD11 LEU B 46 -2.736 2.380 -8.148 1.00 62.32 H new ATOM 0 HD12 LEU B 46 -3.333 4.057 -8.150 1.00 62.32 H new ATOM 0 HD13 LEU B 46 -1.907 3.621 -7.178 1.00 62.32 H new ATOM 0 HD21 LEU B 46 -3.052 0.960 -6.227 1.00 63.25 H new ATOM 0 HD22 LEU B 46 -2.284 2.111 -5.108 1.00 63.25 H new ATOM 0 HD23 LEU B 46 -3.941 1.541 -4.799 1.00 63.25 H new ATOM 2214 N LEU B 47 -4.848 7.253 -4.607 1.00 70.45 N ATOM 2215 CA LEU B 47 -5.403 8.128 -3.599 1.00 32.41 C ATOM 2216 C LEU B 47 -6.759 8.738 -4.060 1.00 25.01 C ATOM 2217 O LEU B 47 -7.692 8.871 -3.266 1.00 54.31 O ATOM 2218 CB LEU B 47 -4.402 9.245 -3.218 1.00 11.30 C ATOM 2219 CG LEU B 47 -3.072 8.799 -2.570 1.00 22.11 C ATOM 2220 CD1 LEU B 47 -2.184 10.007 -2.272 1.00 13.21 C ATOM 2221 CD2 LEU B 47 -3.324 8.003 -1.296 1.00 21.14 C ATOM 0 H LEU B 47 -3.968 7.568 -5.016 1.00 70.45 H new ATOM 0 HA LEU B 47 -5.593 7.524 -2.712 1.00 32.41 H new ATOM 0 HB2 LEU B 47 -4.167 9.812 -4.119 1.00 11.30 H new ATOM 0 HB3 LEU B 47 -4.901 9.929 -2.532 1.00 11.30 H new ATOM 0 HG LEU B 47 -2.555 8.153 -3.280 1.00 22.11 H new ATOM 0 HD11 LEU B 47 -1.253 9.670 -1.816 1.00 13.21 H new ATOM 0 HD12 LEU B 47 -1.964 10.534 -3.200 1.00 13.21 H new ATOM 0 HD13 LEU B 47 -2.701 10.679 -1.587 1.00 13.21 H new ATOM 0 HD21 LEU B 47 -2.371 7.702 -0.861 1.00 21.14 H new ATOM 0 HD22 LEU B 47 -3.870 8.621 -0.583 1.00 21.14 H new ATOM 0 HD23 LEU B 47 -3.912 7.116 -1.532 1.00 21.14 H new ATOM 2233 N SER B 48 -6.877 9.055 -5.342 1.00 43.11 N ATOM 2234 CA SER B 48 -8.062 9.758 -5.830 1.00 35.30 C ATOM 2235 C SER B 48 -9.016 8.870 -6.682 1.00 34.44 C ATOM 2236 O SER B 48 -10.211 9.137 -6.753 1.00 45.23 O ATOM 2237 CB SER B 48 -7.607 10.987 -6.634 1.00 45.10 C ATOM 2238 OG SER B 48 -8.695 11.783 -7.058 1.00 74.34 O ATOM 0 H SER B 48 -6.180 8.842 -6.056 1.00 43.11 H new ATOM 0 HA SER B 48 -8.646 10.056 -4.959 1.00 35.30 H new ATOM 0 HB2 SER B 48 -6.935 11.590 -6.023 1.00 45.10 H new ATOM 0 HB3 SER B 48 -7.039 10.659 -7.504 1.00 45.10 H new ATOM 0 HG SER B 48 -8.360 12.553 -7.563 1.00 74.34 H new ATOM 2244 N GLY B 49 -8.491 7.818 -7.285 1.00 14.21 N ATOM 2245 CA GLY B 49 -9.268 6.993 -8.197 1.00 50.31 C ATOM 2246 C GLY B 49 -9.650 7.747 -9.455 1.00 14.24 C ATOM 2247 O GLY B 49 -10.703 7.504 -10.033 1.00 12.22 O ATOM 0 H GLY B 49 -7.526 7.513 -7.160 1.00 14.21 H new ATOM 0 HA2 GLY B 49 -8.692 6.107 -8.465 1.00 50.31 H new ATOM 0 HA3 GLY B 49 -10.170 6.646 -7.694 1.00 50.31 H new ATOM 2251 N ASP B 50 -8.780 8.639 -9.896 1.00 3.23 N ATOM 2252 CA ASP B 50 -9.100 9.507 -11.023 1.00 1.21 C ATOM 2253 C ASP B 50 -8.234 9.174 -12.231 1.00 73.24 C ATOM 2254 O ASP B 50 -7.013 9.146 -12.128 1.00 13.01 O ATOM 2255 CB ASP B 50 -8.890 10.953 -10.628 1.00 35.13 C ATOM 2256 CG ASP B 50 -9.442 11.923 -11.646 1.00 42.20 C ATOM 2257 OD1 ASP B 50 -8.751 12.235 -12.629 1.00 73.54 O ATOM 2258 OD2 ASP B 50 -10.581 12.405 -11.464 1.00 34.43 O ATOM 0 H ASP B 50 -7.853 8.783 -9.497 1.00 3.23 H new ATOM 0 HA ASP B 50 -10.144 9.348 -11.294 1.00 1.21 H new ATOM 0 HB2 ASP B 50 -9.366 11.135 -9.664 1.00 35.13 H new ATOM 0 HB3 ASP B 50 -7.824 11.138 -10.497 1.00 35.13 H new ATOM 2263 N PRO B 51 -8.860 8.932 -13.396 1.00 74.13 N ATOM 2264 CA PRO B 51 -8.154 8.535 -14.629 1.00 35.53 C ATOM 2265 C PRO B 51 -7.120 9.548 -15.147 1.00 74.32 C ATOM 2266 O PRO B 51 -6.185 9.160 -15.841 1.00 15.22 O ATOM 2267 CB PRO B 51 -9.269 8.327 -15.655 1.00 24.45 C ATOM 2268 CG PRO B 51 -10.449 9.059 -15.109 1.00 15.23 C ATOM 2269 CD PRO B 51 -10.320 9.025 -13.614 1.00 11.14 C ATOM 0 HA PRO B 51 -7.553 7.646 -14.436 1.00 35.53 H new ATOM 0 HB2 PRO B 51 -8.982 8.717 -16.632 1.00 24.45 H new ATOM 0 HB3 PRO B 51 -9.490 7.268 -15.787 1.00 24.45 H new ATOM 0 HG2 PRO B 51 -10.470 10.086 -15.473 1.00 15.23 H new ATOM 0 HG3 PRO B 51 -11.379 8.588 -15.429 1.00 15.23 H new ATOM 0 HD2 PRO B 51 -10.738 9.921 -13.154 1.00 11.14 H new ATOM 0 HD3 PRO B 51 -10.845 8.172 -13.185 1.00 11.14 H new ATOM 2277 N ALA B 52 -7.277 10.832 -14.799 1.00 64.44 N ATOM 2278 CA ALA B 52 -6.381 11.898 -15.305 1.00 65.14 C ATOM 2279 C ALA B 52 -4.928 11.710 -14.877 1.00 32.43 C ATOM 2280 O ALA B 52 -4.037 12.374 -15.396 1.00 13.51 O ATOM 2281 CB ALA B 52 -6.863 13.271 -14.883 1.00 2.44 C ATOM 0 H ALA B 52 -8.010 11.164 -14.173 1.00 64.44 H new ATOM 0 HA ALA B 52 -6.416 11.821 -16.392 1.00 65.14 H new ATOM 0 HB1 ALA B 52 -6.184 14.030 -15.270 1.00 2.44 H new ATOM 0 HB2 ALA B 52 -7.864 13.443 -15.280 1.00 2.44 H new ATOM 0 HB3 ALA B 52 -6.889 13.329 -13.795 1.00 2.44 H new ATOM 2287 N TYR B 53 -4.695 10.824 -13.933 1.00 72.45 N ATOM 2288 CA TYR B 53 -3.354 10.540 -13.484 1.00 35.11 C ATOM 2289 C TYR B 53 -2.536 9.751 -14.501 1.00 20.02 C ATOM 2290 O TYR B 53 -1.318 9.666 -14.378 1.00 24.54 O ATOM 2291 CB TYR B 53 -3.359 9.844 -12.137 1.00 2.21 C ATOM 2292 CG TYR B 53 -3.699 10.787 -11.031 1.00 13.13 C ATOM 2293 CD1 TYR B 53 -2.724 11.607 -10.515 1.00 13.41 C ATOM 2294 CD2 TYR B 53 -4.976 10.878 -10.515 1.00 11.22 C ATOM 2295 CE1 TYR B 53 -2.996 12.492 -9.519 1.00 65.15 C ATOM 2296 CE2 TYR B 53 -5.265 11.767 -9.507 1.00 23.55 C ATOM 2297 CZ TYR B 53 -4.269 12.575 -9.009 1.00 73.44 C ATOM 2298 OH TYR B 53 -4.553 13.476 -7.995 1.00 31.34 O ATOM 0 H TYR B 53 -5.422 10.287 -13.461 1.00 72.45 H new ATOM 0 HA TYR B 53 -2.862 11.506 -13.373 1.00 35.11 H new ATOM 0 HB2 TYR B 53 -4.079 9.026 -12.152 1.00 2.21 H new ATOM 0 HB3 TYR B 53 -2.380 9.403 -11.951 1.00 2.21 H new ATOM 0 HD1 TYR B 53 -1.720 11.547 -10.909 1.00 13.41 H new ATOM 0 HD2 TYR B 53 -5.757 10.244 -10.908 1.00 11.22 H new ATOM 0 HE1 TYR B 53 -2.214 13.127 -9.130 1.00 65.15 H new ATOM 0 HE2 TYR B 53 -6.267 11.831 -9.109 1.00 23.55 H new ATOM 0 HH TYR B 53 -5.500 13.406 -7.751 1.00 31.34 H new ATOM 2308 N ILE B 54 -3.194 9.179 -15.499 1.00 54.43 N ATOM 2309 CA ILE B 54 -2.495 8.422 -16.521 1.00 2.43 C ATOM 2310 C ILE B 54 -2.824 8.989 -17.909 1.00 62.22 C ATOM 2311 O ILE B 54 -3.983 8.999 -18.329 1.00 61.32 O ATOM 2312 CB ILE B 54 -2.834 6.896 -16.474 1.00 12.33 C ATOM 2313 CG1 ILE B 54 -2.512 6.303 -15.086 1.00 22.24 C ATOM 2314 CG2 ILE B 54 -2.075 6.130 -17.564 1.00 63.33 C ATOM 2315 CD1 ILE B 54 -1.063 6.447 -14.655 1.00 54.24 C ATOM 0 H ILE B 54 -4.206 9.225 -15.621 1.00 54.43 H new ATOM 0 HA ILE B 54 -1.428 8.521 -16.322 1.00 2.43 H new ATOM 0 HB ILE B 54 -3.903 6.789 -16.658 1.00 12.33 H new ATOM 0 HG12 ILE B 54 -3.147 6.786 -14.343 1.00 22.24 H new ATOM 0 HG13 ILE B 54 -2.773 5.245 -15.089 1.00 22.24 H new ATOM 0 HG21 ILE B 54 -2.329 5.071 -17.509 1.00 63.33 H new ATOM 0 HG22 ILE B 54 -2.353 6.519 -18.543 1.00 63.33 H new ATOM 0 HG23 ILE B 54 -1.002 6.254 -17.416 1.00 63.33 H new ATOM 0 HD11 ILE B 54 -0.931 6.002 -13.669 1.00 54.24 H new ATOM 0 HD12 ILE B 54 -0.418 5.939 -15.372 1.00 54.24 H new ATOM 0 HD13 ILE B 54 -0.799 7.504 -14.615 1.00 54.24 H new ATOM 2327 N PRO B 55 -1.803 9.482 -18.625 1.00 62.40 N ATOM 2328 CA PRO B 55 -1.976 10.063 -19.950 1.00 31.14 C ATOM 2329 C PRO B 55 -2.266 9.008 -21.028 1.00 33.22 C ATOM 2330 O PRO B 55 -1.939 7.815 -20.874 1.00 41.43 O ATOM 2331 CB PRO B 55 -0.634 10.746 -20.220 1.00 71.33 C ATOM 2332 CG PRO B 55 0.338 9.959 -19.425 1.00 54.31 C ATOM 2333 CD PRO B 55 -0.400 9.516 -18.194 1.00 2.50 C ATOM 0 HA PRO B 55 -2.830 10.739 -19.983 1.00 31.14 H new ATOM 0 HB2 PRO B 55 -0.386 10.731 -21.281 1.00 71.33 H new ATOM 0 HB3 PRO B 55 -0.649 11.791 -19.910 1.00 71.33 H new ATOM 0 HG2 PRO B 55 0.703 9.102 -19.991 1.00 54.31 H new ATOM 0 HG3 PRO B 55 1.208 10.562 -19.163 1.00 54.31 H new ATOM 0 HD2 PRO B 55 -0.061 8.537 -17.854 1.00 2.50 H new ATOM 0 HD3 PRO B 55 -0.252 10.210 -17.366 1.00 2.50 H new ATOM 2341 N ARG B 56 -2.844 9.444 -22.125 1.00 0.52 N ATOM 2342 CA ARG B 56 -3.220 8.535 -23.191 1.00 53.22 C ATOM 2343 C ARG B 56 -2.057 8.279 -24.123 1.00 52.04 C ATOM 2344 O ARG B 56 -1.942 8.886 -25.178 1.00 65.25 O ATOM 2345 CB ARG B 56 -4.472 9.004 -23.998 1.00 33.45 C ATOM 2346 CG ARG B 56 -5.779 9.125 -23.202 1.00 35.52 C ATOM 2347 CD ARG B 56 -5.713 10.237 -22.174 1.00 71.22 C ATOM 2348 NE ARG B 56 -6.891 10.296 -21.334 1.00 35.54 N ATOM 2349 CZ ARG B 56 -7.010 11.082 -20.268 1.00 55.23 C ATOM 2350 NH1 ARG B 56 -6.007 11.897 -19.921 1.00 54.12 N ATOM 2351 NH2 ARG B 56 -8.127 11.050 -19.546 1.00 3.40 N ATOM 0 H ARG B 56 -3.065 10.423 -22.305 1.00 0.52 H new ATOM 0 HA ARG B 56 -3.499 7.602 -22.701 1.00 53.22 H new ATOM 0 HB2 ARG B 56 -4.250 9.974 -24.444 1.00 33.45 H new ATOM 0 HB3 ARG B 56 -4.633 8.305 -24.819 1.00 33.45 H new ATOM 0 HG2 ARG B 56 -6.606 9.313 -23.887 1.00 35.52 H new ATOM 0 HG3 ARG B 56 -5.988 8.180 -22.701 1.00 35.52 H new ATOM 0 HD2 ARG B 56 -4.833 10.094 -21.547 1.00 71.22 H new ATOM 0 HD3 ARG B 56 -5.589 11.191 -22.686 1.00 71.22 H new ATOM 0 HE ARG B 56 -7.680 9.696 -21.575 1.00 35.54 H new ATOM 0 HH11 ARG B 56 -5.150 11.916 -20.474 1.00 54.12 H new ATOM 0 HH12 ARG B 56 -6.099 12.500 -19.103 1.00 54.12 H new ATOM 0 HH21 ARG B 56 -8.888 10.424 -19.811 1.00 3.40 H new ATOM 0 HH22 ARG B 56 -8.223 11.651 -18.728 1.00 3.40 H new ATOM 2365 N TYR B 57 -1.145 7.471 -23.664 1.00 54.23 N ATOM 2366 CA TYR B 57 -0.035 7.039 -24.476 1.00 60.12 C ATOM 2367 C TYR B 57 -0.252 5.615 -24.934 1.00 63.41 C ATOM 2368 O TYR B 57 0.046 5.249 -26.079 1.00 3.05 O ATOM 2369 CB TYR B 57 1.274 7.127 -23.688 1.00 15.31 C ATOM 2370 CG TYR B 57 2.467 6.585 -24.443 1.00 75.31 C ATOM 2371 CD1 TYR B 57 3.034 7.301 -25.480 1.00 4.42 C ATOM 2372 CD2 TYR B 57 3.006 5.343 -24.133 1.00 44.00 C ATOM 2373 CE1 TYR B 57 4.101 6.809 -26.183 1.00 22.54 C ATOM 2374 CE2 TYR B 57 4.075 4.836 -24.835 1.00 3.23 C ATOM 2375 CZ TYR B 57 4.623 5.579 -25.863 1.00 53.24 C ATOM 2376 OH TYR B 57 5.693 5.085 -26.578 1.00 20.25 O ATOM 0 H TYR B 57 -1.146 7.091 -22.717 1.00 54.23 H new ATOM 0 HA TYR B 57 0.030 7.694 -25.345 1.00 60.12 H new ATOM 0 HB2 TYR B 57 1.462 8.168 -23.425 1.00 15.31 H new ATOM 0 HB3 TYR B 57 1.164 6.577 -22.753 1.00 15.31 H new ATOM 0 HD1 TYR B 57 2.628 8.267 -25.741 1.00 4.42 H new ATOM 0 HD2 TYR B 57 2.578 4.765 -23.327 1.00 44.00 H new ATOM 0 HE1 TYR B 57 4.532 7.387 -26.988 1.00 22.54 H new ATOM 0 HE2 TYR B 57 4.482 3.867 -24.585 1.00 3.23 H new ATOM 0 HH TYR B 57 5.943 4.205 -26.226 1.00 20.25 H new ATOM 2386 N GLN B 58 -0.794 4.821 -24.059 1.00 74.41 N ATOM 2387 CA GLN B 58 -0.958 3.437 -24.331 1.00 53.23 C ATOM 2388 C GLN B 58 -2.256 2.994 -23.683 1.00 64.24 C ATOM 2389 O GLN B 58 -2.850 3.752 -22.892 1.00 40.31 O ATOM 2390 CB GLN B 58 0.232 2.668 -23.711 1.00 23.32 C ATOM 2391 CG GLN B 58 0.456 1.281 -24.274 1.00 52.21 C ATOM 2392 CD GLN B 58 1.590 0.540 -23.595 1.00 75.44 C ATOM 2393 OE1 GLN B 58 2.543 1.142 -23.110 1.00 24.23 O ATOM 2394 NE2 GLN B 58 1.504 -0.767 -23.570 1.00 75.44 N ATOM 0 H GLN B 58 -1.131 5.119 -23.144 1.00 74.41 H new ATOM 0 HA GLN B 58 -0.989 3.242 -25.403 1.00 53.23 H new ATOM 0 HB2 GLN B 58 1.140 3.254 -23.856 1.00 23.32 H new ATOM 0 HB3 GLN B 58 0.073 2.587 -22.636 1.00 23.32 H new ATOM 0 HG2 GLN B 58 -0.461 0.701 -24.172 1.00 52.21 H new ATOM 0 HG3 GLN B 58 0.667 1.358 -25.341 1.00 52.21 H new ATOM 0 HE21 GLN B 58 0.696 -1.233 -23.983 1.00 75.44 H new ATOM 0 HE22 GLN B 58 2.245 -1.319 -23.137 1.00 75.44 H new ATOM 2403 N ASP B 59 -2.675 1.777 -23.982 1.00 33.52 N ATOM 2404 CA ASP B 59 -3.881 1.149 -23.411 1.00 64.11 C ATOM 2405 C ASP B 59 -3.850 1.085 -21.875 1.00 3.43 C ATOM 2406 O ASP B 59 -4.862 0.804 -21.243 1.00 0.45 O ATOM 2407 CB ASP B 59 -4.129 -0.239 -24.024 1.00 21.14 C ATOM 2408 CG ASP B 59 -2.938 -1.168 -23.919 1.00 24.23 C ATOM 2409 OD1 ASP B 59 -2.084 -1.154 -24.844 1.00 42.13 O ATOM 2410 OD2 ASP B 59 -2.841 -1.925 -22.949 1.00 75.25 O ATOM 0 H ASP B 59 -2.184 1.174 -24.642 1.00 33.52 H new ATOM 0 HA ASP B 59 -4.720 1.792 -23.675 1.00 64.11 H new ATOM 0 HB2 ASP B 59 -4.983 -0.699 -23.528 1.00 21.14 H new ATOM 0 HB3 ASP B 59 -4.396 -0.121 -25.074 1.00 21.14 H new ATOM 2415 N ALA B 60 -2.679 1.356 -21.293 1.00 74.44 N ATOM 2416 CA ALA B 60 -2.475 1.403 -19.842 1.00 73.30 C ATOM 2417 C ALA B 60 -3.530 2.280 -19.137 1.00 23.01 C ATOM 2418 O ALA B 60 -4.008 1.922 -18.060 1.00 42.41 O ATOM 2419 CB ALA B 60 -1.077 1.913 -19.534 1.00 23.41 C ATOM 0 H ALA B 60 -1.831 1.552 -21.825 1.00 74.44 H new ATOM 0 HA ALA B 60 -2.588 0.389 -19.458 1.00 73.30 H new ATOM 0 HB1 ALA B 60 -0.931 1.946 -18.454 1.00 23.41 H new ATOM 0 HB2 ALA B 60 -0.340 1.245 -19.980 1.00 23.41 H new ATOM 0 HB3 ALA B 60 -0.956 2.914 -19.947 1.00 23.41 H new ATOM 2425 N ARG B 61 -3.900 3.419 -19.755 1.00 63.34 N ATOM 2426 CA ARG B 61 -4.946 4.290 -19.200 1.00 72.22 C ATOM 2427 C ARG B 61 -6.298 3.564 -19.055 1.00 30.13 C ATOM 2428 O ARG B 61 -7.084 3.854 -18.151 1.00 5.02 O ATOM 2429 CB ARG B 61 -5.028 5.675 -19.916 1.00 51.21 C ATOM 2430 CG ARG B 61 -5.142 5.657 -21.443 1.00 1.34 C ATOM 2431 CD ARG B 61 -6.460 5.106 -21.942 1.00 73.31 C ATOM 2432 NE ARG B 61 -6.501 5.059 -23.399 1.00 71.25 N ATOM 2433 CZ ARG B 61 -7.527 4.602 -24.123 1.00 13.22 C ATOM 2434 NH1 ARG B 61 -8.631 4.172 -23.523 1.00 54.42 N ATOM 2435 NH2 ARG B 61 -7.448 4.598 -25.448 1.00 20.33 N ATOM 0 H ARG B 61 -3.493 3.752 -20.629 1.00 63.34 H new ATOM 0 HA ARG B 61 -4.646 4.532 -18.180 1.00 72.22 H new ATOM 0 HB2 ARG B 61 -5.888 6.213 -19.517 1.00 51.21 H new ATOM 0 HB3 ARG B 61 -4.141 6.249 -19.648 1.00 51.21 H new ATOM 0 HG2 ARG B 61 -5.014 6.671 -21.821 1.00 1.34 H new ATOM 0 HG3 ARG B 61 -4.328 5.059 -21.853 1.00 1.34 H new ATOM 0 HD2 ARG B 61 -6.613 4.104 -21.540 1.00 73.31 H new ATOM 0 HD3 ARG B 61 -7.278 5.725 -21.574 1.00 73.31 H new ATOM 0 HE ARG B 61 -5.684 5.401 -23.904 1.00 71.25 H new ATOM 0 HH11 ARG B 61 -8.698 4.190 -22.505 1.00 54.42 H new ATOM 0 HH12 ARG B 61 -9.412 3.824 -24.080 1.00 54.42 H new ATOM 0 HH21 ARG B 61 -6.606 4.943 -25.910 1.00 20.33 H new ATOM 0 HH22 ARG B 61 -8.229 4.250 -26.004 1.00 20.33 H new ATOM 2449 N ASN B 62 -6.561 2.643 -19.964 1.00 15.31 N ATOM 2450 CA ASN B 62 -7.754 1.812 -19.909 1.00 73.21 C ATOM 2451 C ASN B 62 -7.600 0.756 -18.845 1.00 34.12 C ATOM 2452 O ASN B 62 -8.472 0.583 -18.006 1.00 65.31 O ATOM 2453 CB ASN B 62 -8.048 1.168 -21.280 1.00 60.40 C ATOM 2454 CG ASN B 62 -9.088 0.051 -21.210 1.00 50.04 C ATOM 2455 OD1 ASN B 62 -8.740 -1.123 -21.062 1.00 43.22 O ATOM 2456 ND2 ASN B 62 -10.340 0.397 -21.279 1.00 33.03 N ATOM 0 H ASN B 62 -5.955 2.449 -20.761 1.00 15.31 H new ATOM 0 HA ASN B 62 -8.603 2.446 -19.653 1.00 73.21 H new ATOM 0 HB2 ASN B 62 -8.397 1.938 -21.968 1.00 60.40 H new ATOM 0 HB3 ASN B 62 -7.122 0.768 -21.692 1.00 60.40 H new ATOM 0 HD21 ASN B 62 -11.070 -0.312 -21.210 1.00 33.03 H new ATOM 0 HD22 ASN B 62 -10.592 1.378 -21.402 1.00 33.03 H new ATOM 2463 N LEU B 63 -6.462 0.087 -18.870 1.00 51.50 N ATOM 2464 CA LEU B 63 -6.145 -0.988 -17.937 1.00 45.32 C ATOM 2465 C LEU B 63 -6.278 -0.537 -16.491 1.00 41.43 C ATOM 2466 O LEU B 63 -6.907 -1.211 -15.679 1.00 20.00 O ATOM 2467 CB LEU B 63 -4.725 -1.498 -18.184 1.00 63.21 C ATOM 2468 CG LEU B 63 -4.444 -2.100 -19.557 1.00 24.11 C ATOM 2469 CD1 LEU B 63 -2.978 -2.471 -19.677 1.00 54.45 C ATOM 2470 CD2 LEU B 63 -5.319 -3.326 -19.785 1.00 44.33 C ATOM 0 H LEU B 63 -5.721 0.274 -19.545 1.00 51.50 H new ATOM 0 HA LEU B 63 -6.861 -1.792 -18.109 1.00 45.32 H new ATOM 0 HB2 LEU B 63 -4.034 -0.670 -18.027 1.00 63.21 H new ATOM 0 HB3 LEU B 63 -4.497 -2.251 -17.429 1.00 63.21 H new ATOM 0 HG LEU B 63 -4.680 -1.357 -20.319 1.00 24.11 H new ATOM 0 HD11 LEU B 63 -2.791 -2.900 -20.662 1.00 54.45 H new ATOM 0 HD12 LEU B 63 -2.365 -1.579 -19.547 1.00 54.45 H new ATOM 0 HD13 LEU B 63 -2.723 -3.201 -18.909 1.00 54.45 H new ATOM 0 HD21 LEU B 63 -5.108 -3.746 -20.769 1.00 44.33 H new ATOM 0 HD22 LEU B 63 -5.107 -4.072 -19.019 1.00 44.33 H new ATOM 0 HD23 LEU B 63 -6.369 -3.039 -19.731 1.00 44.33 H new ATOM 2482 N ILE B 64 -5.731 0.624 -16.181 1.00 31.41 N ATOM 2483 CA ILE B 64 -5.751 1.129 -14.817 1.00 23.22 C ATOM 2484 C ILE B 64 -7.183 1.570 -14.415 1.00 33.52 C ATOM 2485 O ILE B 64 -7.503 1.694 -13.244 1.00 21.43 O ATOM 2486 CB ILE B 64 -4.725 2.287 -14.615 1.00 71.21 C ATOM 2487 CG1 ILE B 64 -4.547 2.599 -13.119 1.00 61.45 C ATOM 2488 CG2 ILE B 64 -5.175 3.540 -15.374 1.00 52.34 C ATOM 2489 CD1 ILE B 64 -3.469 3.623 -12.822 1.00 52.35 C ATOM 0 H ILE B 64 -5.268 1.236 -16.853 1.00 31.41 H new ATOM 0 HA ILE B 64 -5.449 0.314 -14.159 1.00 23.22 H new ATOM 0 HB ILE B 64 -3.763 1.967 -15.015 1.00 71.21 H new ATOM 0 HG12 ILE B 64 -5.495 2.959 -12.719 1.00 61.45 H new ATOM 0 HG13 ILE B 64 -4.310 1.675 -12.592 1.00 61.45 H new ATOM 0 HG21 ILE B 64 -4.448 4.338 -15.222 1.00 52.34 H new ATOM 0 HG22 ILE B 64 -5.249 3.314 -16.438 1.00 52.34 H new ATOM 0 HG23 ILE B 64 -6.148 3.860 -15.003 1.00 52.34 H new ATOM 0 HD11 ILE B 64 -3.408 3.786 -11.746 1.00 52.35 H new ATOM 0 HD12 ILE B 64 -2.510 3.258 -13.189 1.00 52.35 H new ATOM 0 HD13 ILE B 64 -3.713 4.563 -13.318 1.00 52.35 H new ATOM 2501 N ARG B 65 -8.037 1.775 -15.402 1.00 65.52 N ATOM 2502 CA ARG B 65 -9.415 2.131 -15.150 1.00 61.03 C ATOM 2503 C ARG B 65 -10.310 0.916 -15.061 1.00 4.15 C ATOM 2504 O ARG B 65 -11.492 1.032 -14.784 1.00 62.33 O ATOM 2505 CB ARG B 65 -9.947 3.143 -16.159 1.00 74.54 C ATOM 2506 CG ARG B 65 -9.446 4.555 -15.919 1.00 44.40 C ATOM 2507 CD ARG B 65 -9.897 5.057 -14.540 1.00 4.41 C ATOM 2508 NE ARG B 65 -11.356 5.050 -14.413 1.00 12.53 N ATOM 2509 CZ ARG B 65 -12.045 5.243 -13.280 1.00 62.32 C ATOM 2510 NH1 ARG B 65 -11.413 5.498 -12.135 1.00 71.24 N ATOM 2511 NH2 ARG B 65 -13.364 5.175 -13.296 1.00 50.31 N ATOM 0 H ARG B 65 -7.795 1.700 -16.390 1.00 65.52 H new ATOM 0 HA ARG B 65 -9.431 2.616 -14.174 1.00 61.03 H new ATOM 0 HB2 ARG B 65 -9.660 2.829 -17.163 1.00 74.54 H new ATOM 0 HB3 ARG B 65 -11.036 3.141 -16.124 1.00 74.54 H new ATOM 0 HG2 ARG B 65 -8.358 4.577 -15.983 1.00 44.40 H new ATOM 0 HG3 ARG B 65 -9.825 5.219 -16.696 1.00 44.40 H new ATOM 0 HD2 ARG B 65 -9.461 4.429 -13.763 1.00 4.41 H new ATOM 0 HD3 ARG B 65 -9.522 6.068 -14.380 1.00 4.41 H new ATOM 0 HE ARG B 65 -11.896 4.883 -15.262 1.00 12.53 H new ATOM 0 HH11 ARG B 65 -10.394 5.548 -12.115 1.00 71.24 H new ATOM 0 HH12 ARG B 65 -11.948 5.643 -11.279 1.00 71.24 H new ATOM 0 HH21 ARG B 65 -13.854 4.976 -14.168 1.00 50.31 H new ATOM 0 HH22 ARG B 65 -13.893 5.321 -12.436 1.00 50.31 H new ATOM 2525 N ARG B 66 -9.737 -0.256 -15.282 1.00 3.22 N ATOM 2526 CA ARG B 66 -10.492 -1.494 -15.165 1.00 54.22 C ATOM 2527 C ARG B 66 -10.290 -2.102 -13.782 1.00 62.34 C ATOM 2528 O ARG B 66 -10.713 -3.224 -13.507 1.00 5.13 O ATOM 2529 CB ARG B 66 -10.091 -2.502 -16.248 1.00 72.32 C ATOM 2530 CG ARG B 66 -10.284 -2.005 -17.673 1.00 10.33 C ATOM 2531 CD ARG B 66 -10.034 -3.114 -18.681 1.00 25.41 C ATOM 2532 NE ARG B 66 -11.010 -4.205 -18.522 1.00 21.21 N ATOM 2533 CZ ARG B 66 -10.990 -5.375 -19.171 1.00 23.03 C ATOM 2534 NH1 ARG B 66 -10.025 -5.642 -20.050 1.00 33.31 N ATOM 2535 NH2 ARG B 66 -11.946 -6.275 -18.938 1.00 43.43 N ATOM 0 H ARG B 66 -8.758 -0.377 -15.542 1.00 3.22 H new ATOM 0 HA ARG B 66 -11.547 -1.257 -15.304 1.00 54.22 H new ATOM 0 HB2 ARG B 66 -9.044 -2.769 -16.108 1.00 72.32 H new ATOM 0 HB3 ARG B 66 -10.673 -3.413 -16.112 1.00 72.32 H new ATOM 0 HG2 ARG B 66 -11.298 -1.623 -17.793 1.00 10.33 H new ATOM 0 HG3 ARG B 66 -9.605 -1.175 -17.866 1.00 10.33 H new ATOM 0 HD2 ARG B 66 -10.096 -2.711 -19.692 1.00 25.41 H new ATOM 0 HD3 ARG B 66 -9.024 -3.504 -18.554 1.00 25.41 H new ATOM 0 HE ARG B 66 -11.769 -4.055 -17.858 1.00 21.21 H new ATOM 0 HH11 ARG B 66 -9.296 -4.953 -20.232 1.00 33.31 H new ATOM 0 HH12 ARG B 66 -10.016 -6.536 -20.541 1.00 33.31 H new ATOM 0 HH21 ARG B 66 -12.687 -6.070 -18.268 1.00 43.43 H new ATOM 0 HH22 ARG B 66 -11.936 -7.169 -19.430 1.00 43.43 H new ATOM 2549 N HIS B 67 -9.633 -1.354 -12.914 1.00 33.24 N ATOM 2550 CA HIS B 67 -9.377 -1.784 -11.551 1.00 21.23 C ATOM 2551 C HIS B 67 -9.635 -0.601 -10.641 1.00 22.40 C ATOM 2552 O HIS B 67 -9.514 0.540 -11.077 1.00 0.23 O ATOM 2553 CB HIS B 67 -7.905 -2.233 -11.362 1.00 1.43 C ATOM 2554 CG HIS B 67 -7.417 -3.303 -12.302 1.00 43.44 C ATOM 2555 ND1 HIS B 67 -6.698 -3.207 -13.441 1.00 65.12 N flip ATOM 2556 CD2 HIS B 67 -7.639 -4.643 -12.116 1.00 12.11 C flip ATOM 2557 CE1 HIS B 67 -6.501 -4.470 -13.910 1.00 63.35 C flip ATOM 2558 NE2 HIS B 67 -7.078 -5.321 -13.098 1.00 34.31 N flip ATOM 0 H HIS B 67 -9.261 -0.430 -13.134 1.00 33.24 H new ATOM 0 HA HIS B 67 -10.024 -2.630 -11.319 1.00 21.23 H new ATOM 0 HB2 HIS B 67 -7.262 -1.360 -11.472 1.00 1.43 H new ATOM 0 HB3 HIS B 67 -7.783 -2.592 -10.340 1.00 1.43 H new ATOM 0 HD1 HIS B 67 -6.363 -2.345 -13.872 1.00 65.12 H new ATOM 0 HD2 HIS B 67 -8.188 -5.076 -11.293 1.00 12.11 H new ATOM 0 HE1 HIS B 67 -5.957 -4.729 -14.806 1.00 63.35 H new ATOM 2567 N GLU B 68 -10.009 -0.844 -9.410 1.00 35.14 N ATOM 2568 CA GLU B 68 -10.187 0.249 -8.472 1.00 60.04 C ATOM 2569 C GLU B 68 -8.973 0.458 -7.599 1.00 52.11 C ATOM 2570 O GLU B 68 -8.117 -0.430 -7.482 1.00 11.02 O ATOM 2571 CB GLU B 68 -11.451 0.127 -7.639 1.00 51.43 C ATOM 2572 CG GLU B 68 -12.728 0.333 -8.431 1.00 65.04 C ATOM 2573 CD GLU B 68 -13.951 0.281 -7.559 1.00 32.10 C ATOM 2574 OE1 GLU B 68 -14.715 -0.693 -7.653 1.00 32.55 O ATOM 2575 OE2 GLU B 68 -14.142 1.201 -6.745 1.00 45.41 O ATOM 0 H GLU B 68 -10.195 -1.773 -9.032 1.00 35.14 H new ATOM 0 HA GLU B 68 -10.308 1.140 -9.088 1.00 60.04 H new ATOM 0 HB2 GLU B 68 -11.476 -0.860 -7.177 1.00 51.43 H new ATOM 0 HB3 GLU B 68 -11.414 0.857 -6.830 1.00 51.43 H new ATOM 0 HG2 GLU B 68 -12.687 1.296 -8.939 1.00 65.04 H new ATOM 0 HG3 GLU B 68 -12.802 -0.432 -9.204 1.00 65.04 H new ATOM 2582 N ARG B 69 -8.922 1.640 -6.977 1.00 41.53 N ATOM 2583 CA ARG B 69 -7.803 2.075 -6.116 1.00 5.20 C ATOM 2584 C ARG B 69 -7.577 1.031 -5.055 1.00 22.01 C ATOM 2585 O ARG B 69 -6.491 0.494 -4.885 1.00 44.22 O ATOM 2586 CB ARG B 69 -8.202 3.314 -5.317 1.00 32.41 C ATOM 2587 CG ARG B 69 -9.011 4.358 -6.011 1.00 34.54 C ATOM 2588 CD ARG B 69 -9.463 5.395 -4.975 1.00 74.12 C ATOM 2589 NE ARG B 69 -10.065 4.739 -3.778 1.00 52.11 N ATOM 2590 CZ ARG B 69 -10.162 5.294 -2.548 1.00 2.45 C ATOM 2591 NH1 ARG B 69 -9.800 6.571 -2.344 1.00 30.34 N ATOM 2592 NH2 ARG B 69 -10.610 4.562 -1.522 1.00 52.23 N ATOM 0 H ARG B 69 -9.664 2.336 -7.055 1.00 41.53 H new ATOM 0 HA ARG B 69 -6.939 2.251 -6.757 1.00 5.20 H new ATOM 0 HB2 ARG B 69 -8.762 2.983 -4.442 1.00 32.41 H new ATOM 0 HB3 ARG B 69 -7.290 3.785 -4.952 1.00 32.41 H new ATOM 0 HG2 ARG B 69 -8.421 4.836 -6.793 1.00 34.54 H new ATOM 0 HG3 ARG B 69 -9.876 3.906 -6.496 1.00 34.54 H new ATOM 0 HD2 ARG B 69 -8.611 6.002 -4.669 1.00 74.12 H new ATOM 0 HD3 ARG B 69 -10.190 6.070 -5.426 1.00 74.12 H new ATOM 0 HE ARG B 69 -10.433 3.795 -3.897 1.00 52.11 H new ATOM 0 HH11 ARG B 69 -9.448 7.132 -3.120 1.00 30.34 H new ATOM 0 HH12 ARG B 69 -9.877 6.980 -1.413 1.00 30.34 H new ATOM 0 HH21 ARG B 69 -10.877 3.589 -1.668 1.00 52.23 H new ATOM 0 HH22 ARG B 69 -10.684 4.977 -0.593 1.00 52.23 H new ATOM 2606 N ASP B 70 -8.662 0.777 -4.357 1.00 3.41 N ATOM 2607 CA ASP B 70 -8.755 -0.077 -3.202 1.00 70.12 C ATOM 2608 C ASP B 70 -8.230 -1.485 -3.503 1.00 34.03 C ATOM 2609 O ASP B 70 -7.512 -2.067 -2.692 1.00 31.42 O ATOM 2610 CB ASP B 70 -10.225 -0.097 -2.749 1.00 32.24 C ATOM 2611 CG ASP B 70 -10.780 1.323 -2.523 1.00 22.01 C ATOM 2612 OD1 ASP B 70 -11.048 2.046 -3.534 1.00 42.23 O ATOM 2613 OD2 ASP B 70 -10.957 1.737 -1.368 1.00 12.23 O ATOM 0 H ASP B 70 -9.561 1.192 -4.601 1.00 3.41 H new ATOM 0 HA ASP B 70 -8.129 0.309 -2.398 1.00 70.12 H new ATOM 0 HB2 ASP B 70 -10.829 -0.607 -3.500 1.00 32.24 H new ATOM 0 HB3 ASP B 70 -10.312 -0.671 -1.827 1.00 32.24 H new ATOM 2618 N GLU B 71 -8.574 -2.006 -4.680 1.00 14.03 N ATOM 2619 CA GLU B 71 -8.078 -3.312 -5.137 1.00 12.33 C ATOM 2620 C GLU B 71 -6.569 -3.294 -5.286 1.00 4.13 C ATOM 2621 O GLU B 71 -5.865 -4.117 -4.716 1.00 4.41 O ATOM 2622 CB GLU B 71 -8.705 -3.685 -6.488 1.00 64.42 C ATOM 2623 CG GLU B 71 -10.171 -4.043 -6.432 1.00 3.54 C ATOM 2624 CD GLU B 71 -10.403 -5.318 -5.659 1.00 14.43 C ATOM 2625 OE1 GLU B 71 -10.637 -5.259 -4.448 1.00 53.45 O ATOM 2626 OE2 GLU B 71 -10.340 -6.412 -6.265 1.00 75.03 O ATOM 0 H GLU B 71 -9.198 -1.543 -5.341 1.00 14.03 H new ATOM 0 HA GLU B 71 -8.358 -4.051 -4.387 1.00 12.33 H new ATOM 0 HB2 GLU B 71 -8.576 -2.849 -7.175 1.00 64.42 H new ATOM 0 HB3 GLU B 71 -8.156 -4.528 -6.906 1.00 64.42 H new ATOM 0 HG2 GLU B 71 -10.727 -3.229 -5.967 1.00 3.54 H new ATOM 0 HG3 GLU B 71 -10.557 -4.156 -7.445 1.00 3.54 H new ATOM 2633 N ILE B 72 -6.083 -2.325 -6.039 1.00 61.31 N ATOM 2634 CA ILE B 72 -4.668 -2.219 -6.338 1.00 25.41 C ATOM 2635 C ILE B 72 -3.855 -1.974 -5.064 1.00 74.54 C ATOM 2636 O ILE B 72 -2.778 -2.528 -4.891 1.00 44.40 O ATOM 2637 CB ILE B 72 -4.393 -1.073 -7.357 1.00 53.01 C ATOM 2638 CG1 ILE B 72 -5.216 -1.279 -8.639 1.00 53.44 C ATOM 2639 CG2 ILE B 72 -2.903 -1.004 -7.700 1.00 0.42 C ATOM 2640 CD1 ILE B 72 -5.052 -0.169 -9.662 1.00 75.54 C ATOM 0 H ILE B 72 -6.655 -1.592 -6.459 1.00 61.31 H new ATOM 0 HA ILE B 72 -4.359 -3.166 -6.780 1.00 25.41 H new ATOM 0 HB ILE B 72 -4.692 -0.132 -6.896 1.00 53.01 H new ATOM 0 HG12 ILE B 72 -4.928 -2.226 -9.096 1.00 53.44 H new ATOM 0 HG13 ILE B 72 -6.270 -1.361 -8.373 1.00 53.44 H new ATOM 0 HG21 ILE B 72 -2.731 -0.198 -8.413 1.00 0.42 H new ATOM 0 HG22 ILE B 72 -2.329 -0.815 -6.793 1.00 0.42 H new ATOM 0 HG23 ILE B 72 -2.586 -1.950 -8.139 1.00 0.42 H new ATOM 0 HD11 ILE B 72 -5.664 -0.387 -10.537 1.00 75.54 H new ATOM 0 HD12 ILE B 72 -5.369 0.778 -9.225 1.00 75.54 H new ATOM 0 HD13 ILE B 72 -4.006 -0.100 -9.959 1.00 75.54 H new ATOM 2652 N MET B 73 -4.403 -1.171 -4.174 1.00 53.44 N ATOM 2653 CA MET B 73 -3.709 -0.778 -2.960 1.00 22.13 C ATOM 2654 C MET B 73 -3.464 -1.990 -2.048 1.00 3.52 C ATOM 2655 O MET B 73 -2.326 -2.214 -1.593 1.00 42.53 O ATOM 2656 CB MET B 73 -4.499 0.327 -2.224 1.00 43.03 C ATOM 2657 CG MET B 73 -3.715 1.087 -1.141 1.00 44.32 C ATOM 2658 SD MET B 73 -3.141 0.069 0.230 1.00 75.44 S ATOM 2659 CE MET B 73 -2.280 1.276 1.191 1.00 21.25 C ATOM 0 H MET B 73 -5.337 -0.773 -4.269 1.00 53.44 H new ATOM 0 HA MET B 73 -2.735 -0.374 -3.235 1.00 22.13 H new ATOM 0 HB2 MET B 73 -4.858 1.046 -2.961 1.00 43.03 H new ATOM 0 HB3 MET B 73 -5.378 -0.124 -1.764 1.00 43.03 H new ATOM 0 HG2 MET B 73 -2.853 1.566 -1.605 1.00 44.32 H new ATOM 0 HG3 MET B 73 -4.347 1.882 -0.745 1.00 44.32 H new ATOM 0 HE1 MET B 73 -2.297 0.985 2.241 1.00 21.25 H new ATOM 0 HE2 MET B 73 -1.247 1.343 0.850 1.00 21.25 H new ATOM 0 HE3 MET B 73 -2.764 2.246 1.076 1.00 21.25 H new ATOM 2669 N GLU B 74 -4.500 -2.792 -1.794 1.00 70.32 N ATOM 2670 CA GLU B 74 -4.315 -3.932 -0.912 1.00 73.44 C ATOM 2671 C GLU B 74 -3.402 -4.971 -1.560 1.00 2.23 C ATOM 2672 O GLU B 74 -2.639 -5.668 -0.873 1.00 21.23 O ATOM 2673 CB GLU B 74 -5.668 -4.497 -0.346 1.00 10.33 C ATOM 2674 CG GLU B 74 -6.661 -5.141 -1.328 1.00 63.51 C ATOM 2675 CD GLU B 74 -6.265 -6.536 -1.767 1.00 24.13 C ATOM 2676 OE1 GLU B 74 -6.485 -7.510 -1.003 1.00 10.34 O ATOM 2677 OE2 GLU B 74 -5.746 -6.699 -2.858 1.00 2.30 O ATOM 0 H GLU B 74 -5.440 -2.676 -2.173 1.00 70.32 H new ATOM 0 HA GLU B 74 -3.794 -3.592 -0.017 1.00 73.44 H new ATOM 0 HB2 GLU B 74 -5.425 -5.239 0.415 1.00 10.33 H new ATOM 0 HB3 GLU B 74 -6.183 -3.680 0.159 1.00 10.33 H new ATOM 0 HG2 GLU B 74 -7.645 -5.182 -0.861 1.00 63.51 H new ATOM 0 HG3 GLU B 74 -6.752 -4.505 -2.208 1.00 63.51 H new ATOM 2684 N GLU B 75 -3.454 -5.027 -2.887 1.00 44.43 N ATOM 2685 CA GLU B 75 -2.604 -5.892 -3.672 1.00 32.31 C ATOM 2686 C GLU B 75 -1.144 -5.469 -3.464 1.00 11.13 C ATOM 2687 O GLU B 75 -0.268 -6.311 -3.216 1.00 63.10 O ATOM 2688 CB GLU B 75 -2.986 -5.781 -5.152 1.00 72.03 C ATOM 2689 CG GLU B 75 -2.344 -6.820 -6.049 1.00 10.52 C ATOM 2690 CD GLU B 75 -2.782 -8.222 -5.692 1.00 63.42 C ATOM 2691 OE1 GLU B 75 -2.069 -8.898 -4.930 1.00 23.21 O ATOM 2692 OE2 GLU B 75 -3.852 -8.663 -6.165 1.00 72.11 O ATOM 0 H GLU B 75 -4.096 -4.465 -3.446 1.00 44.43 H new ATOM 0 HA GLU B 75 -2.729 -6.928 -3.358 1.00 32.31 H new ATOM 0 HB2 GLU B 75 -4.069 -5.863 -5.241 1.00 72.03 H new ATOM 0 HB3 GLU B 75 -2.710 -4.790 -5.511 1.00 72.03 H new ATOM 0 HG2 GLU B 75 -2.602 -6.612 -7.087 1.00 10.52 H new ATOM 0 HG3 GLU B 75 -1.259 -6.747 -5.970 1.00 10.52 H new ATOM 2699 N LEU B 76 -0.901 -4.141 -3.539 1.00 60.22 N ATOM 2700 CA LEU B 76 0.425 -3.560 -3.303 1.00 1.22 C ATOM 2701 C LEU B 76 0.945 -3.986 -1.952 1.00 11.33 C ATOM 2702 O LEU B 76 2.067 -4.467 -1.840 1.00 23.13 O ATOM 2703 CB LEU B 76 0.393 -2.012 -3.329 1.00 32.34 C ATOM 2704 CG LEU B 76 -0.037 -1.317 -4.624 1.00 40.23 C ATOM 2705 CD1 LEU B 76 -0.046 0.189 -4.425 1.00 51.12 C ATOM 2706 CD2 LEU B 76 0.885 -1.678 -5.765 1.00 20.23 C ATOM 0 H LEU B 76 -1.619 -3.452 -3.764 1.00 60.22 H new ATOM 0 HA LEU B 76 1.072 -3.918 -4.104 1.00 1.22 H new ATOM 0 HB2 LEU B 76 -0.276 -1.680 -2.535 1.00 32.34 H new ATOM 0 HB3 LEU B 76 1.391 -1.654 -3.075 1.00 32.34 H new ATOM 0 HG LEU B 76 -1.042 -1.656 -4.875 1.00 40.23 H new ATOM 0 HD11 LEU B 76 -0.353 0.676 -5.350 1.00 51.12 H new ATOM 0 HD12 LEU B 76 -0.746 0.447 -3.630 1.00 51.12 H new ATOM 0 HD13 LEU B 76 0.954 0.526 -4.152 1.00 51.12 H new ATOM 0 HD21 LEU B 76 0.557 -1.171 -6.672 1.00 20.23 H new ATOM 0 HD22 LEU B 76 1.902 -1.368 -5.523 1.00 20.23 H new ATOM 0 HD23 LEU B 76 0.863 -2.756 -5.924 1.00 20.23 H new ATOM 2718 N THR B 77 0.100 -3.833 -0.935 1.00 64.33 N ATOM 2719 CA THR B 77 0.459 -4.143 0.429 1.00 42.41 C ATOM 2720 C THR B 77 0.912 -5.616 0.586 1.00 3.03 C ATOM 2721 O THR B 77 1.988 -5.890 1.129 1.00 13.24 O ATOM 2722 CB THR B 77 -0.739 -3.853 1.358 1.00 54.23 C ATOM 2723 OG1 THR B 77 -1.142 -2.478 1.192 1.00 61.53 O ATOM 2724 CG2 THR B 77 -0.367 -4.090 2.814 1.00 54.25 C ATOM 0 H THR B 77 -0.854 -3.489 -1.044 1.00 64.33 H new ATOM 0 HA THR B 77 1.303 -3.511 0.707 1.00 42.41 H new ATOM 0 HB THR B 77 -1.556 -4.525 1.093 1.00 54.23 H new ATOM 0 HG1 THR B 77 -1.642 -2.383 0.355 1.00 61.53 H new ATOM 0 HG21 THR B 77 -1.228 -3.879 3.448 1.00 54.25 H new ATOM 0 HG22 THR B 77 -0.064 -5.128 2.948 1.00 54.25 H new ATOM 0 HG23 THR B 77 0.457 -3.433 3.091 1.00 54.25 H new ATOM 2732 N LYS B 78 0.113 -6.539 0.073 1.00 61.44 N ATOM 2733 CA LYS B 78 0.403 -7.969 0.193 1.00 33.31 C ATOM 2734 C LYS B 78 1.652 -8.350 -0.548 1.00 3.33 C ATOM 2735 O LYS B 78 2.496 -9.049 -0.027 1.00 42.31 O ATOM 2736 CB LYS B 78 -0.757 -8.783 -0.335 1.00 63.00 C ATOM 2737 CG LYS B 78 -2.024 -8.547 0.425 1.00 73.23 C ATOM 2738 CD LYS B 78 -3.224 -9.229 -0.192 1.00 74.50 C ATOM 2739 CE LYS B 78 -3.390 -8.809 -1.632 1.00 5.34 C ATOM 2740 NZ LYS B 78 -4.676 -9.219 -2.183 1.00 22.20 N ATOM 0 H LYS B 78 -0.746 -6.327 -0.434 1.00 61.44 H new ATOM 0 HA LYS B 78 0.556 -8.180 1.251 1.00 33.31 H new ATOM 0 HB2 LYS B 78 -0.918 -8.539 -1.385 1.00 63.00 H new ATOM 0 HB3 LYS B 78 -0.503 -9.842 -0.289 1.00 63.00 H new ATOM 0 HG2 LYS B 78 -1.898 -8.902 1.448 1.00 73.23 H new ATOM 0 HG3 LYS B 78 -2.212 -7.475 0.481 1.00 73.23 H new ATOM 0 HD2 LYS B 78 -3.104 -10.311 -0.134 1.00 74.50 H new ATOM 0 HD3 LYS B 78 -4.122 -8.977 0.372 1.00 74.50 H new ATOM 0 HE2 LYS B 78 -3.294 -7.726 -1.706 1.00 5.34 H new ATOM 0 HE3 LYS B 78 -2.587 -9.241 -2.229 1.00 5.34 H new ATOM 0 HZ1 LYS B 78 -4.644 -9.158 -3.221 1.00 22.20 H new ATOM 0 HZ2 LYS B 78 -4.879 -10.199 -1.900 1.00 22.20 H new ATOM 0 HZ3 LYS B 78 -5.424 -8.593 -1.822 1.00 22.20 H new ATOM 2754 N TYR B 79 1.766 -7.873 -1.745 1.00 41.13 N ATOM 2755 CA TYR B 79 2.870 -8.222 -2.605 1.00 20.33 C ATOM 2756 C TYR B 79 4.190 -7.668 -2.025 1.00 21.40 C ATOM 2757 O TYR B 79 5.219 -8.342 -2.042 1.00 5.14 O ATOM 2758 CB TYR B 79 2.590 -7.651 -3.973 1.00 10.13 C ATOM 2759 CG TYR B 79 3.396 -8.219 -5.101 1.00 60.21 C ATOM 2760 CD1 TYR B 79 2.853 -9.198 -5.916 1.00 5.45 C ATOM 2761 CD2 TYR B 79 4.672 -7.772 -5.372 1.00 3.42 C ATOM 2762 CE1 TYR B 79 3.555 -9.716 -6.971 1.00 55.02 C ATOM 2763 CE2 TYR B 79 5.389 -8.290 -6.427 1.00 64.00 C ATOM 2764 CZ TYR B 79 4.824 -9.260 -7.227 1.00 1.42 C ATOM 2765 OH TYR B 79 5.533 -9.778 -8.290 1.00 53.32 O ATOM 0 H TYR B 79 1.097 -7.227 -2.164 1.00 41.13 H new ATOM 0 HA TYR B 79 2.977 -9.304 -2.677 1.00 20.33 H new ATOM 0 HB2 TYR B 79 1.534 -7.799 -4.197 1.00 10.13 H new ATOM 0 HB3 TYR B 79 2.760 -6.575 -3.937 1.00 10.13 H new ATOM 0 HD1 TYR B 79 1.856 -9.560 -5.715 1.00 5.45 H new ATOM 0 HD2 TYR B 79 5.114 -7.007 -4.750 1.00 3.42 H new ATOM 0 HE1 TYR B 79 3.114 -10.477 -7.597 1.00 55.02 H new ATOM 0 HE2 TYR B 79 6.390 -7.938 -6.627 1.00 64.00 H new ATOM 0 HH TYR B 79 6.413 -9.350 -8.336 1.00 53.32 H new ATOM 2775 N TYR B 80 4.124 -6.452 -1.491 1.00 21.53 N ATOM 2776 CA TYR B 80 5.266 -5.792 -0.850 1.00 74.25 C ATOM 2777 C TYR B 80 5.724 -6.626 0.352 1.00 3.45 C ATOM 2778 O TYR B 80 6.921 -6.850 0.571 1.00 4.15 O ATOM 2779 CB TYR B 80 4.815 -4.394 -0.375 1.00 65.14 C ATOM 2780 CG TYR B 80 5.879 -3.506 0.260 1.00 2.21 C ATOM 2781 CD1 TYR B 80 6.500 -2.510 -0.478 1.00 31.44 C ATOM 2782 CD2 TYR B 80 6.237 -3.643 1.599 1.00 10.12 C ATOM 2783 CE1 TYR B 80 7.443 -1.678 0.092 1.00 4.42 C ATOM 2784 CE2 TYR B 80 7.186 -2.819 2.172 1.00 14.14 C ATOM 2785 CZ TYR B 80 7.784 -1.837 1.413 1.00 64.34 C ATOM 2786 OH TYR B 80 8.721 -1.003 1.984 1.00 21.01 O ATOM 0 H TYR B 80 3.273 -5.890 -1.489 1.00 21.53 H new ATOM 0 HA TYR B 80 6.094 -5.697 -1.552 1.00 74.25 H new ATOM 0 HB2 TYR B 80 4.396 -3.864 -1.230 1.00 65.14 H new ATOM 0 HB3 TYR B 80 4.008 -4.524 0.345 1.00 65.14 H new ATOM 0 HD1 TYR B 80 6.241 -2.383 -1.519 1.00 31.44 H new ATOM 0 HD2 TYR B 80 5.765 -4.406 2.199 1.00 10.12 H new ATOM 0 HE1 TYR B 80 7.911 -0.905 -0.499 1.00 4.42 H new ATOM 0 HE2 TYR B 80 7.458 -2.944 3.210 1.00 14.14 H new ATOM 0 HH TYR B 80 8.368 -0.640 2.823 1.00 21.01 H new ATOM 2796 N LEU B 81 4.760 -7.075 1.126 1.00 11.00 N ATOM 2797 CA LEU B 81 5.017 -7.878 2.296 1.00 44.04 C ATOM 2798 C LEU B 81 5.450 -9.297 1.940 1.00 25.22 C ATOM 2799 O LEU B 81 6.207 -9.928 2.694 1.00 64.10 O ATOM 2800 CB LEU B 81 3.813 -7.874 3.223 1.00 55.04 C ATOM 2801 CG LEU B 81 3.453 -6.513 3.825 1.00 74.31 C ATOM 2802 CD1 LEU B 81 2.198 -6.614 4.659 1.00 32.45 C ATOM 2803 CD2 LEU B 81 4.602 -5.985 4.667 1.00 34.41 C ATOM 0 H LEU B 81 3.771 -6.891 0.958 1.00 11.00 H new ATOM 0 HA LEU B 81 5.855 -7.426 2.826 1.00 44.04 H new ATOM 0 HB2 LEU B 81 2.950 -8.248 2.672 1.00 55.04 H new ATOM 0 HB3 LEU B 81 4.000 -8.574 4.037 1.00 55.04 H new ATOM 0 HG LEU B 81 3.269 -5.816 3.007 1.00 74.31 H new ATOM 0 HD11 LEU B 81 1.960 -5.636 5.078 1.00 32.45 H new ATOM 0 HD12 LEU B 81 1.372 -6.952 4.034 1.00 32.45 H new ATOM 0 HD13 LEU B 81 2.356 -7.327 5.469 1.00 32.45 H new ATOM 0 HD21 LEU B 81 4.330 -5.017 5.088 1.00 34.41 H new ATOM 0 HD22 LEU B 81 4.813 -6.685 5.475 1.00 34.41 H new ATOM 0 HD23 LEU B 81 5.489 -5.873 4.043 1.00 34.41 H new ATOM 2815 N ALA B 82 5.008 -9.780 0.781 1.00 10.44 N ATOM 2816 CA ALA B 82 5.352 -11.114 0.301 1.00 71.25 C ATOM 2817 C ALA B 82 6.849 -11.229 0.097 1.00 72.24 C ATOM 2818 O ALA B 82 7.445 -12.288 0.337 1.00 45.54 O ATOM 2819 CB ALA B 82 4.616 -11.420 -0.996 1.00 22.20 C ATOM 0 H ALA B 82 4.402 -9.257 0.149 1.00 10.44 H new ATOM 0 HA ALA B 82 5.045 -11.842 1.052 1.00 71.25 H new ATOM 0 HB1 ALA B 82 4.884 -12.419 -1.340 1.00 22.20 H new ATOM 0 HB2 ALA B 82 3.541 -11.372 -0.824 1.00 22.20 H new ATOM 0 HB3 ALA B 82 4.895 -10.688 -1.754 1.00 22.20 H new ATOM 2825 N ASN B 83 7.466 -10.122 -0.300 1.00 51.53 N ATOM 2826 CA ASN B 83 8.917 -10.053 -0.514 1.00 10.13 C ATOM 2827 C ASN B 83 9.701 -10.282 0.765 1.00 70.04 C ATOM 2828 O ASN B 83 10.883 -10.582 0.724 1.00 42.21 O ATOM 2829 CB ASN B 83 9.333 -8.726 -1.142 1.00 4.13 C ATOM 2830 CG ASN B 83 8.860 -8.537 -2.571 1.00 44.11 C ATOM 2831 OD1 ASN B 83 8.782 -9.604 -3.323 1.00 23.43 O flip ATOM 2832 ND2 ASN B 83 8.604 -7.418 -3.004 1.00 31.15 N flip ATOM 0 H ASN B 83 6.980 -9.244 -0.484 1.00 51.53 H new ATOM 0 HA ASN B 83 9.156 -10.860 -1.207 1.00 10.13 H new ATOM 0 HB2 ASN B 83 8.944 -7.911 -0.532 1.00 4.13 H new ATOM 0 HB3 ASN B 83 10.420 -8.651 -1.118 1.00 4.13 H new ATOM 0 HD21 ASN B 83 8.674 -6.606 -2.391 1.00 31.15 H new ATOM 0 HD22 ASN B 83 8.321 -7.300 -3.977 1.00 31.15 H new ATOM 2839 N HIS B 84 9.040 -10.167 1.907 1.00 3.33 N ATOM 2840 CA HIS B 84 9.705 -10.401 3.190 1.00 43.21 C ATOM 2841 C HIS B 84 9.775 -11.892 3.507 1.00 13.03 C ATOM 2842 O HIS B 84 10.361 -12.295 4.514 1.00 13.32 O ATOM 2843 CB HIS B 84 9.035 -9.624 4.349 1.00 62.12 C ATOM 2844 CG HIS B 84 9.189 -8.130 4.262 1.00 20.33 C ATOM 2845 ND1 HIS B 84 10.110 -7.438 4.992 1.00 30.14 N ATOM 2846 CD2 HIS B 84 8.543 -7.212 3.521 1.00 32.55 C ATOM 2847 CE1 HIS B 84 10.045 -6.164 4.701 1.00 74.20 C ATOM 2848 NE2 HIS B 84 9.096 -5.990 3.804 1.00 21.02 N ATOM 0 H HIS B 84 8.054 -9.916 1.977 1.00 3.33 H new ATOM 0 HA HIS B 84 10.722 -10.020 3.093 1.00 43.21 H new ATOM 0 HB2 HIS B 84 7.973 -9.868 4.368 1.00 62.12 H new ATOM 0 HB3 HIS B 84 9.458 -9.967 5.293 1.00 62.12 H new ATOM 0 HD1 HIS B 84 10.754 -7.852 5.665 1.00 30.14 H new ATOM 0 HD2 HIS B 84 7.736 -7.403 2.829 1.00 32.55 H new ATOM 0 HE1 HIS B 84 10.664 -5.387 5.124 1.00 74.20 H new ATOM 2857 N GLY B 85 9.191 -12.703 2.632 1.00 33.33 N ATOM 2858 CA GLY B 85 9.177 -14.139 2.827 1.00 2.52 C ATOM 2859 C GLY B 85 7.944 -14.575 3.561 1.00 72.50 C ATOM 2860 O GLY B 85 7.893 -15.659 4.133 1.00 60.44 O ATOM 0 H GLY B 85 8.723 -12.386 1.783 1.00 33.33 H new ATOM 0 HA2 GLY B 85 9.224 -14.640 1.860 1.00 2.52 H new ATOM 0 HA3 GLY B 85 10.062 -14.441 3.386 1.00 2.52 H new ATOM 2864 N ILE B 86 6.949 -13.733 3.530 1.00 24.24 N ATOM 2865 CA ILE B 86 5.721 -13.964 4.246 1.00 32.33 C ATOM 2866 C ILE B 86 4.634 -14.494 3.311 1.00 61.11 C ATOM 2867 O ILE B 86 4.484 -14.012 2.180 1.00 61.43 O ATOM 2868 CB ILE B 86 5.227 -12.648 4.908 1.00 30.32 C ATOM 2869 CG1 ILE B 86 6.287 -12.104 5.879 1.00 12.01 C ATOM 2870 CG2 ILE B 86 3.904 -12.864 5.626 1.00 3.44 C ATOM 2871 CD1 ILE B 86 5.903 -10.798 6.542 1.00 3.32 C ATOM 0 H ILE B 86 6.965 -12.860 3.004 1.00 24.24 H new ATOM 0 HA ILE B 86 5.920 -14.709 5.016 1.00 32.33 H new ATOM 0 HB ILE B 86 5.067 -11.911 4.121 1.00 30.32 H new ATOM 0 HG12 ILE B 86 6.474 -12.850 6.651 1.00 12.01 H new ATOM 0 HG13 ILE B 86 7.223 -11.963 5.338 1.00 12.01 H new ATOM 0 HG21 ILE B 86 3.580 -11.928 6.081 1.00 3.44 H new ATOM 0 HG22 ILE B 86 3.153 -13.199 4.911 1.00 3.44 H new ATOM 0 HG23 ILE B 86 4.030 -13.620 6.401 1.00 3.44 H new ATOM 0 HD11 ILE B 86 6.703 -10.481 7.212 1.00 3.32 H new ATOM 0 HD12 ILE B 86 5.745 -10.036 5.779 1.00 3.32 H new ATOM 0 HD13 ILE B 86 4.985 -10.936 7.113 1.00 3.32 H new ATOM 2883 N ASP B 87 3.902 -15.485 3.779 1.00 71.23 N ATOM 2884 CA ASP B 87 2.754 -16.013 3.047 1.00 34.22 C ATOM 2885 C ASP B 87 1.512 -15.336 3.578 1.00 21.11 C ATOM 2886 O ASP B 87 1.197 -15.447 4.768 1.00 65.52 O ATOM 2887 CB ASP B 87 2.619 -17.541 3.195 1.00 54.55 C ATOM 2888 CG ASP B 87 3.761 -18.313 2.573 1.00 64.34 C ATOM 2889 OD1 ASP B 87 4.718 -18.688 3.304 1.00 31.42 O ATOM 2890 OD2 ASP B 87 3.726 -18.548 1.342 1.00 11.22 O ATOM 0 H ASP B 87 4.079 -15.948 4.670 1.00 71.23 H new ATOM 0 HA ASP B 87 2.892 -15.809 1.985 1.00 34.22 H new ATOM 0 HB2 ASP B 87 2.557 -17.791 4.254 1.00 54.55 H new ATOM 0 HB3 ASP B 87 1.683 -17.861 2.737 1.00 54.55 H new ATOM 2895 N ILE B 88 0.809 -14.645 2.725 1.00 35.34 N ATOM 2896 CA ILE B 88 -0.335 -13.843 3.137 1.00 33.41 C ATOM 2897 C ILE B 88 -1.642 -14.465 2.676 1.00 12.15 C ATOM 2898 O ILE B 88 -1.677 -15.173 1.676 1.00 1.10 O ATOM 2899 CB ILE B 88 -0.201 -12.399 2.561 1.00 12.34 C ATOM 2900 CG1 ILE B 88 1.080 -11.750 3.081 1.00 3.22 C ATOM 2901 CG2 ILE B 88 -1.425 -11.523 2.868 1.00 52.51 C ATOM 2902 CD1 ILE B 88 1.310 -10.355 2.582 1.00 24.31 C ATOM 0 H ILE B 88 1.003 -14.614 1.724 1.00 35.34 H new ATOM 0 HA ILE B 88 -0.347 -13.803 4.226 1.00 33.41 H new ATOM 0 HB ILE B 88 -0.149 -12.482 1.475 1.00 12.34 H new ATOM 0 HG12 ILE B 88 1.049 -11.733 4.170 1.00 3.22 H new ATOM 0 HG13 ILE B 88 1.930 -12.370 2.796 1.00 3.22 H new ATOM 0 HG21 ILE B 88 -1.277 -10.530 2.444 1.00 52.51 H new ATOM 0 HG22 ILE B 88 -2.315 -11.975 2.431 1.00 52.51 H new ATOM 0 HG23 ILE B 88 -1.552 -11.441 3.947 1.00 52.51 H new ATOM 0 HD11 ILE B 88 2.240 -9.968 2.999 1.00 24.31 H new ATOM 0 HD12 ILE B 88 1.376 -10.364 1.494 1.00 24.31 H new ATOM 0 HD13 ILE B 88 0.482 -9.717 2.890 1.00 24.31 H new ATOM 2914 N LYS B 89 -2.687 -14.250 3.437 1.00 11.23 N ATOM 2915 CA LYS B 89 -3.984 -14.640 3.067 1.00 33.44 C ATOM 2916 C LYS B 89 -4.918 -13.497 3.505 1.00 14.40 C ATOM 2917 O LYS B 89 -5.585 -13.620 4.555 1.00 36.98 O ATOM 2918 CB LYS B 89 -4.349 -15.926 3.794 1.00 3.44 C ATOM 2919 CG LYS B 89 -5.281 -16.818 3.022 1.00 61.23 C ATOM 2920 CD LYS B 89 -6.575 -16.137 2.609 1.00 73.22 C ATOM 2921 CE LYS B 89 -7.450 -17.077 1.815 1.00 62.50 C ATOM 2922 NZ LYS B 89 -8.663 -16.407 1.312 1.00 44.44 N ATOM 2923 OXT LYS B 89 -4.931 -12.461 2.846 1.00 36.98 O ATOM 0 H LYS B 89 -2.636 -13.788 4.345 1.00 11.23 H new ATOM 0 HA LYS B 89 -4.065 -14.823 1.995 1.00 33.44 H new ATOM 0 HB2 LYS B 89 -3.436 -16.477 4.017 1.00 3.44 H new ATOM 0 HB3 LYS B 89 -4.811 -15.674 4.749 1.00 3.44 H new ATOM 0 HG2 LYS B 89 -4.769 -17.178 2.129 1.00 61.23 H new ATOM 0 HG3 LYS B 89 -5.518 -17.692 3.628 1.00 61.23 H new ATOM 0 HD2 LYS B 89 -7.111 -15.797 3.495 1.00 73.22 H new ATOM 0 HD3 LYS B 89 -6.351 -15.252 2.013 1.00 73.22 H new ATOM 0 HE2 LYS B 89 -6.883 -17.479 0.975 1.00 62.50 H new ATOM 0 HE3 LYS B 89 -7.735 -17.923 2.441 1.00 62.50 H new ATOM 0 HZ1 LYS B 89 -9.292 -17.110 0.876 1.00 44.44 H new ATOM 0 HZ2 LYS B 89 -9.156 -15.944 2.102 1.00 44.44 H new ATOM 0 HZ3 LYS B 89 -8.397 -15.694 0.603 1.00 44.44 H new TER 2937 LYS B 89