USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 720 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 37 ASN :FLIP amide:sc= -1.58 F(o=-3.3!,f=-1.5) USER MOD Set 1.2: A 70 TYR OH : rot -82:sc= 0.122 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 THR OG1 : rot -112:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0827 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.184 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.0458! F(o=-1.3,f=-0.046!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc=0.000196 USER MOD Single : A 13 THR OG1 : rot 51:sc= 1.19 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= 0.0284 (180deg=0) USER MOD Single : A 25 MET CE :methyl -150:sc= -0.93 (180deg=-1.63!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -75:sc= 0.277 USER MOD Single : A 35 ASN :FLIP amide:sc= -6.05! C(o=-6.8!,f=-6.1!) USER MOD Single : A 40 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.275 (180deg=-0.614) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN :FLIP amide:sc= -6.5! C(o=-8.1!,f=-6.5!) USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.0186 (180deg=-0.194) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.045 X(o=0.045,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.655 K(o=0.66,f=-1.7!) USER MOD Single : A 84 ASN : amide:sc= -0.607 K(o=-0.61,f=-3.5!) USER MOD Single : A 85 LYS NZ :NH3+ 143:sc= -0.306 (180deg=-1.96!) USER MOD Single : A 87 GLN : amide:sc= -0.264 K(o=-0.26,f=-3.1!) USER MOD Single : A 88 MET CE :methyl -142:sc= 0 (180deg=-0.0251) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0624 X(o=-0.062,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.915 -9.509 -16.494 1.00 0.00 N ATOM 2 CA GLY A 1 10.977 -10.431 -17.108 1.00 0.00 C ATOM 3 C GLY A 1 9.658 -9.770 -17.458 1.00 0.00 C ATOM 4 O GLY A 1 9.516 -8.553 -17.340 1.00 0.00 O ATOM 0 H1 GLY A 1 12.774 -9.448 -17.077 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.479 -8.568 -16.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.165 -9.850 -15.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.421 -10.849 -18.011 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.794 -11.264 -16.429 1.00 0.00 H new ATOM 8 N SER A 2 8.692 -10.573 -17.890 1.00 0.00 N ATOM 9 CA SER A 2 7.380 -10.058 -18.264 1.00 0.00 C ATOM 10 C SER A 2 6.395 -11.200 -18.501 1.00 0.00 C ATOM 11 O SER A 2 6.645 -12.091 -19.313 1.00 0.00 O ATOM 12 CB SER A 2 7.487 -9.193 -19.521 1.00 0.00 C ATOM 13 OG SER A 2 8.042 -9.926 -20.599 1.00 0.00 O ATOM 0 H SER A 2 8.793 -11.583 -17.990 1.00 0.00 H new ATOM 0 HA SER A 2 7.010 -9.446 -17.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.499 -8.825 -19.798 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.106 -8.320 -19.314 1.00 0.00 H new ATOM 0 HG SER A 2 7.851 -10.880 -20.479 1.00 0.00 H new ATOM 19 N SER A 3 5.275 -11.165 -17.786 1.00 0.00 N ATOM 20 CA SER A 3 4.254 -12.198 -17.915 1.00 0.00 C ATOM 21 C SER A 3 3.889 -12.421 -19.380 1.00 0.00 C ATOM 22 O SER A 3 3.608 -11.474 -20.113 1.00 0.00 O ATOM 23 CB SER A 3 3.005 -11.812 -17.120 1.00 0.00 C ATOM 24 OG SER A 3 3.236 -11.914 -15.726 1.00 0.00 O ATOM 0 H SER A 3 5.052 -10.433 -17.112 1.00 0.00 H new ATOM 0 HA SER A 3 4.659 -13.127 -17.514 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.712 -10.792 -17.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.175 -12.460 -17.403 1.00 0.00 H new ATOM 0 HG SER A 3 2.423 -11.660 -15.240 1.00 0.00 H new ATOM 30 N GLY A 4 3.896 -13.683 -19.799 1.00 0.00 N ATOM 31 CA GLY A 4 3.565 -14.010 -21.174 1.00 0.00 C ATOM 32 C GLY A 4 2.073 -14.161 -21.390 1.00 0.00 C ATOM 33 O GLY A 4 1.624 -15.119 -22.019 1.00 0.00 O ATOM 0 H GLY A 4 4.125 -14.484 -19.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.947 -13.230 -21.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.065 -14.937 -21.454 1.00 0.00 H new ATOM 37 N SER A 5 1.302 -13.213 -20.867 1.00 0.00 N ATOM 38 CA SER A 5 -0.150 -13.248 -21.002 1.00 0.00 C ATOM 39 C SER A 5 -0.681 -11.911 -21.510 1.00 0.00 C ATOM 40 O SER A 5 -0.646 -10.906 -20.800 1.00 0.00 O ATOM 41 CB SER A 5 -0.800 -13.590 -19.660 1.00 0.00 C ATOM 42 OG SER A 5 -0.595 -14.952 -19.327 1.00 0.00 O ATOM 0 H SER A 5 1.658 -12.412 -20.346 1.00 0.00 H new ATOM 0 HA SER A 5 -0.404 -14.020 -21.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.384 -12.955 -18.878 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.869 -13.380 -19.706 1.00 0.00 H new ATOM 0 HG SER A 5 -1.018 -15.145 -18.465 1.00 0.00 H new ATOM 48 N SER A 6 -1.171 -11.907 -22.746 1.00 0.00 N ATOM 49 CA SER A 6 -1.706 -10.693 -23.352 1.00 0.00 C ATOM 50 C SER A 6 -3.227 -10.656 -23.242 1.00 0.00 C ATOM 51 O SER A 6 -3.886 -11.695 -23.235 1.00 0.00 O ATOM 52 CB SER A 6 -1.287 -10.604 -24.821 1.00 0.00 C ATOM 53 OG SER A 6 0.123 -10.538 -24.946 1.00 0.00 O ATOM 0 H SER A 6 -1.209 -12.730 -23.347 1.00 0.00 H new ATOM 0 HA SER A 6 -1.299 -9.837 -22.813 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.663 -11.472 -25.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.737 -9.723 -25.278 1.00 0.00 H new ATOM 0 HG SER A 6 0.365 -10.484 -25.894 1.00 0.00 H new ATOM 59 N GLY A 7 -3.779 -9.449 -23.156 1.00 0.00 N ATOM 60 CA GLY A 7 -5.218 -9.297 -23.048 1.00 0.00 C ATOM 61 C GLY A 7 -5.687 -9.231 -21.608 1.00 0.00 C ATOM 62 O GLY A 7 -5.111 -8.511 -20.793 1.00 0.00 O ATOM 0 H GLY A 7 -3.255 -8.574 -23.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.525 -8.390 -23.569 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.707 -10.133 -23.548 1.00 0.00 H new ATOM 66 N ASN A 8 -6.737 -9.983 -21.294 1.00 0.00 N ATOM 67 CA ASN A 8 -7.285 -10.004 -19.942 1.00 0.00 C ATOM 68 C ASN A 8 -6.309 -10.662 -18.971 1.00 0.00 C ATOM 69 O ASN A 8 -6.173 -11.885 -18.945 1.00 0.00 O ATOM 70 CB ASN A 8 -8.621 -10.749 -19.923 1.00 0.00 C ATOM 71 CG ASN A 8 -8.567 -12.054 -20.693 1.00 0.00 C ATOM 72 OD1 ASN A 8 -9.264 -12.104 -21.822 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -7.906 -13.006 -20.278 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.225 -10.585 -21.957 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.447 -8.974 -19.625 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.906 -10.951 -18.891 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.396 -10.111 -20.349 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.385 -12.923 -19.405 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.879 -13.877 -20.807 1.00 0.00 H new ATOM 80 N ALA A 9 -5.634 -9.842 -18.172 1.00 0.00 N ATOM 81 CA ALA A 9 -4.674 -10.343 -17.197 1.00 0.00 C ATOM 82 C ALA A 9 -5.373 -10.788 -15.917 1.00 0.00 C ATOM 83 O ALA A 9 -6.205 -10.064 -15.370 1.00 0.00 O ATOM 84 CB ALA A 9 -3.630 -9.280 -16.889 1.00 0.00 C ATOM 0 H ALA A 9 -5.735 -8.827 -18.181 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.175 -11.211 -17.628 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.920 -9.668 -16.159 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.101 -9.014 -17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.120 -8.395 -16.483 1.00 0.00 H new ATOM 90 N GLN A 10 -5.030 -11.982 -15.445 1.00 0.00 N ATOM 91 CA GLN A 10 -5.627 -12.523 -14.230 1.00 0.00 C ATOM 92 C GLN A 10 -4.778 -12.183 -13.009 1.00 0.00 C ATOM 93 O GLN A 10 -4.528 -13.037 -12.158 1.00 0.00 O ATOM 94 CB GLN A 10 -5.789 -14.040 -14.347 1.00 0.00 C ATOM 95 CG GLN A 10 -6.895 -14.462 -15.301 1.00 0.00 C ATOM 96 CD GLN A 10 -7.512 -15.794 -14.925 1.00 0.00 C ATOM 97 OE1 GLN A 10 -8.671 -15.861 -14.515 1.00 0.00 O ATOM 98 NE2 GLN A 10 -6.739 -16.865 -15.064 1.00 0.00 N ATOM 0 H GLN A 10 -4.342 -12.593 -15.885 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.610 -12.069 -14.105 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.847 -14.473 -14.682 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.996 -14.452 -13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.671 -13.697 -15.313 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.493 -14.524 -16.312 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.784 -16.764 -15.407 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.100 -17.789 -14.827 1.00 0.00 H new ATOM 107 N ARG A 11 -4.339 -10.932 -12.930 1.00 0.00 N ATOM 108 CA ARG A 11 -3.517 -10.479 -11.814 1.00 0.00 C ATOM 109 C ARG A 11 -4.163 -10.842 -10.480 1.00 0.00 C ATOM 110 O ARG A 11 -5.266 -11.388 -10.442 1.00 0.00 O ATOM 111 CB ARG A 11 -3.300 -8.967 -11.892 1.00 0.00 C ATOM 112 CG ARG A 11 -4.529 -8.155 -11.518 1.00 0.00 C ATOM 113 CD ARG A 11 -5.578 -8.194 -12.618 1.00 0.00 C ATOM 114 NE ARG A 11 -6.443 -7.017 -12.591 1.00 0.00 N ATOM 115 CZ ARG A 11 -7.504 -6.904 -11.799 1.00 0.00 C ATOM 116 NH1 ARG A 11 -7.829 -7.889 -10.974 1.00 0.00 N ATOM 117 NH2 ARG A 11 -8.242 -5.801 -11.832 1.00 0.00 N ATOM 0 H ARG A 11 -4.539 -10.213 -13.626 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.552 -10.981 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.478 -8.692 -11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.996 -8.704 -12.905 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.955 -8.543 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.239 -7.122 -11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.084 -8.259 -13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.185 -9.093 -12.508 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.221 -6.240 -13.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.264 -8.738 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.644 -7.798 -10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.995 -5.041 -12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.056 -5.714 -11.224 1.00 0.00 H new ATOM 131 N SER A 12 -3.469 -10.536 -9.389 1.00 0.00 N ATOM 132 CA SER A 12 -3.974 -10.834 -8.053 1.00 0.00 C ATOM 133 C SER A 12 -3.350 -9.904 -7.017 1.00 0.00 C ATOM 134 O SER A 12 -2.460 -9.112 -7.331 1.00 0.00 O ATOM 135 CB SER A 12 -3.683 -12.291 -7.689 1.00 0.00 C ATOM 136 OG SER A 12 -4.508 -12.724 -6.621 1.00 0.00 O ATOM 0 H SER A 12 -2.556 -10.082 -9.403 1.00 0.00 H new ATOM 0 HA SER A 12 -5.052 -10.676 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.846 -12.926 -8.560 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.635 -12.397 -7.409 1.00 0.00 H new ATOM 0 HG SER A 12 -4.304 -13.659 -6.408 1.00 0.00 H new ATOM 142 N THR A 13 -3.822 -10.006 -5.779 1.00 0.00 N ATOM 143 CA THR A 13 -3.313 -9.175 -4.695 1.00 0.00 C ATOM 144 C THR A 13 -2.278 -9.926 -3.866 1.00 0.00 C ATOM 145 O THR A 13 -2.627 -10.739 -3.008 1.00 0.00 O ATOM 146 CB THR A 13 -4.449 -8.699 -3.771 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.055 -9.822 -3.122 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.502 -7.932 -4.557 1.00 0.00 C ATOM 0 H THR A 13 -4.557 -10.657 -5.502 1.00 0.00 H new ATOM 0 HA THR A 13 -2.843 -8.306 -5.156 1.00 0.00 H new ATOM 0 HB THR A 13 -4.022 -8.033 -3.021 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.360 -10.377 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.294 -7.606 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.044 -7.061 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.924 -8.578 -5.327 1.00 0.00 H new ATOM 156 N LEU A 14 -1.005 -9.649 -4.124 1.00 0.00 N ATOM 157 CA LEU A 14 0.082 -10.299 -3.400 1.00 0.00 C ATOM 158 C LEU A 14 1.038 -9.267 -2.811 1.00 0.00 C ATOM 159 O LEU A 14 1.627 -9.483 -1.752 1.00 0.00 O ATOM 160 CB LEU A 14 0.844 -11.247 -4.327 1.00 0.00 C ATOM 161 CG LEU A 14 -0.007 -12.058 -5.305 1.00 0.00 C ATOM 162 CD1 LEU A 14 -0.191 -11.299 -6.610 1.00 0.00 C ATOM 163 CD2 LEU A 14 0.626 -13.418 -5.561 1.00 0.00 C ATOM 0 H LEU A 14 -0.700 -8.978 -4.829 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.352 -10.873 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.563 -10.662 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.417 -11.942 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.989 -12.215 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.799 -11.892 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.689 -10.350 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.783 -11.110 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.007 -13.982 -6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.621 -13.282 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.704 -13.966 -4.622 1.00 0.00 H new ATOM 175 N LYS A 15 1.185 -8.142 -3.504 1.00 0.00 N ATOM 176 CA LYS A 15 2.067 -7.073 -3.049 1.00 0.00 C ATOM 177 C LYS A 15 1.411 -6.265 -1.934 1.00 0.00 C ATOM 178 O LYS A 15 2.076 -5.843 -0.988 1.00 0.00 O ATOM 179 CB LYS A 15 2.428 -6.152 -4.216 1.00 0.00 C ATOM 180 CG LYS A 15 3.366 -5.021 -3.830 1.00 0.00 C ATOM 181 CD LYS A 15 4.170 -4.532 -5.023 1.00 0.00 C ATOM 182 CE LYS A 15 4.610 -3.087 -4.844 1.00 0.00 C ATOM 183 NZ LYS A 15 3.522 -2.129 -5.189 1.00 0.00 N ATOM 0 H LYS A 15 0.705 -7.947 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 15 2.977 -7.527 -2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.891 -6.744 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.513 -5.729 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.789 -4.194 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.044 -5.361 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.046 -5.166 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.570 -4.621 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.921 -2.927 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.479 -2.891 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.861 -1.155 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.243 -2.264 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.702 -2.298 -4.572 1.00 0.00 H new ATOM 197 N TRP A 16 0.105 -6.055 -2.051 1.00 0.00 N ATOM 198 CA TRP A 16 -0.640 -5.299 -1.050 1.00 0.00 C ATOM 199 C TRP A 16 -0.382 -5.846 0.349 1.00 0.00 C ATOM 200 O TRP A 16 0.130 -5.138 1.216 1.00 0.00 O ATOM 201 CB TRP A 16 -2.137 -5.341 -1.360 1.00 0.00 C ATOM 202 CG TRP A 16 -2.518 -4.530 -2.561 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.727 -4.234 -3.635 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.784 -3.910 -2.810 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.426 -3.467 -4.536 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.691 -3.255 -4.054 1.00 0.00 C ATOM 207 CE3 TRP A 16 -4.989 -3.846 -2.105 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.755 -2.546 -4.603 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.045 -3.142 -2.651 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.923 -2.500 -3.891 1.00 0.00 C ATOM 0 H TRP A 16 -0.460 -6.397 -2.828 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.298 -4.265 -1.083 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.439 -6.376 -1.519 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.690 -4.977 -0.494 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.703 -4.555 -3.758 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.062 -3.113 -5.421 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.093 -4.339 -1.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.662 -2.049 -5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.980 -3.085 -2.113 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.767 -1.959 -4.292 1.00 0.00 H new ATOM 221 N GLU A 17 -0.738 -7.109 0.562 1.00 0.00 N ATOM 222 CA GLU A 17 -0.545 -7.749 1.858 1.00 0.00 C ATOM 223 C GLU A 17 0.792 -7.343 2.470 1.00 0.00 C ATOM 224 O GLU A 17 0.886 -7.085 3.671 1.00 0.00 O ATOM 225 CB GLU A 17 -0.612 -9.271 1.715 1.00 0.00 C ATOM 226 CG GLU A 17 0.242 -9.814 0.583 1.00 0.00 C ATOM 227 CD GLU A 17 0.339 -11.327 0.599 1.00 0.00 C ATOM 228 OE1 GLU A 17 1.150 -11.861 1.385 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.395 -11.978 -0.174 1.00 0.00 O ATOM 0 H GLU A 17 -1.161 -7.709 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.344 -7.418 2.521 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.294 -9.730 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.648 -9.567 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.177 -9.491 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.243 -9.389 0.652 1.00 0.00 H new ATOM 236 N LYS A 18 1.826 -7.290 1.637 1.00 0.00 N ATOM 237 CA LYS A 18 3.159 -6.916 2.095 1.00 0.00 C ATOM 238 C LYS A 18 3.203 -5.445 2.498 1.00 0.00 C ATOM 239 O LYS A 18 3.715 -5.100 3.562 1.00 0.00 O ATOM 240 CB LYS A 18 4.192 -7.186 0.998 1.00 0.00 C ATOM 241 CG LYS A 18 4.797 -8.578 1.061 1.00 0.00 C ATOM 242 CD LYS A 18 5.668 -8.863 -0.150 1.00 0.00 C ATOM 243 CE LYS A 18 4.833 -9.270 -1.354 1.00 0.00 C ATOM 244 NZ LYS A 18 4.498 -10.721 -1.332 1.00 0.00 N ATOM 0 H LYS A 18 1.766 -7.501 0.641 1.00 0.00 H new ATOM 0 HA LYS A 18 3.399 -7.522 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.721 -7.048 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.991 -6.448 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.392 -8.676 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.000 -9.320 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.254 -7.977 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.376 -9.657 0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.913 -8.685 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.377 -9.037 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.022 -11.210 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.762 -11.124 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.477 -10.844 -1.484 1.00 0.00 H new ATOM 258 N GLU A 19 2.662 -4.585 1.641 1.00 0.00 N ATOM 259 CA GLU A 19 2.640 -3.152 1.910 1.00 0.00 C ATOM 260 C GLU A 19 1.750 -2.837 3.109 1.00 0.00 C ATOM 261 O GLU A 19 1.906 -1.801 3.755 1.00 0.00 O ATOM 262 CB GLU A 19 2.147 -2.387 0.680 1.00 0.00 C ATOM 263 CG GLU A 19 3.001 -2.609 -0.558 1.00 0.00 C ATOM 264 CD GLU A 19 4.448 -2.910 -0.221 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.761 -4.089 0.047 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.268 -1.968 -0.225 1.00 0.00 O ATOM 0 H GLU A 19 2.234 -4.855 0.756 1.00 0.00 H new ATOM 0 HA GLU A 19 3.657 -2.836 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.122 -2.687 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.125 -1.322 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.587 -3.435 -1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.956 -1.722 -1.190 1.00 0.00 H new ATOM 273 N GLU A 20 0.817 -3.738 3.398 1.00 0.00 N ATOM 274 CA GLU A 20 -0.099 -3.555 4.518 1.00 0.00 C ATOM 275 C GLU A 20 0.664 -3.475 5.837 1.00 0.00 C ATOM 276 O GLU A 20 0.219 -2.830 6.786 1.00 0.00 O ATOM 277 CB GLU A 20 -1.111 -4.701 4.570 1.00 0.00 C ATOM 278 CG GLU A 20 -2.380 -4.430 3.780 1.00 0.00 C ATOM 279 CD GLU A 20 -3.384 -3.599 4.555 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.965 -4.126 5.527 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.589 -2.422 4.190 1.00 0.00 O ATOM 0 H GLU A 20 0.675 -4.601 2.873 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.632 -2.616 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.641 -5.607 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.375 -4.894 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.124 -3.914 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.838 -5.378 3.500 1.00 0.00 H new ATOM 288 N ALA A 21 1.815 -4.137 5.889 1.00 0.00 N ATOM 289 CA ALA A 21 2.641 -4.140 7.090 1.00 0.00 C ATOM 290 C ALA A 21 3.419 -2.835 7.225 1.00 0.00 C ATOM 291 O ALA A 21 3.667 -2.361 8.334 1.00 0.00 O ATOM 292 CB ALA A 21 3.595 -5.325 7.072 1.00 0.00 C ATOM 0 H ALA A 21 2.197 -4.678 5.113 1.00 0.00 H new ATOM 0 HA ALA A 21 1.982 -4.231 7.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.206 -5.314 7.975 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.023 -6.252 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.241 -5.259 6.197 1.00 0.00 H new ATOM 298 N LEU A 22 3.801 -2.260 6.091 1.00 0.00 N ATOM 299 CA LEU A 22 4.552 -1.009 6.082 1.00 0.00 C ATOM 300 C LEU A 22 3.678 0.154 6.542 1.00 0.00 C ATOM 301 O LEU A 22 4.181 1.216 6.905 1.00 0.00 O ATOM 302 CB LEU A 22 5.098 -0.729 4.681 1.00 0.00 C ATOM 303 CG LEU A 22 5.906 -1.856 4.038 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.936 -1.696 2.526 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.319 -1.888 4.601 1.00 0.00 C ATOM 0 H LEU A 22 3.603 -2.640 5.165 1.00 0.00 H new ATOM 0 HA LEU A 22 5.386 -1.109 6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.259 -0.491 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.727 0.160 4.729 1.00 0.00 H new ATOM 0 HG LEU A 22 5.422 -2.804 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.516 -2.507 2.086 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.918 -1.724 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.396 -0.741 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.879 -2.697 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.813 -0.938 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.278 -2.052 5.678 1.00 0.00 H new ATOM 317 N GLY A 23 2.365 -0.056 6.524 1.00 0.00 N ATOM 318 CA GLY A 23 1.442 0.982 6.943 1.00 0.00 C ATOM 319 C GLY A 23 1.639 2.276 6.179 1.00 0.00 C ATOM 320 O GLY A 23 1.468 2.317 4.961 1.00 0.00 O ATOM 0 H GLY A 23 1.924 -0.927 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.419 0.633 6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.571 1.170 8.009 1.00 0.00 H new ATOM 324 N GLU A 24 2.000 3.336 6.895 1.00 0.00 N ATOM 325 CA GLU A 24 2.218 4.638 6.276 1.00 0.00 C ATOM 326 C GLU A 24 3.320 4.562 5.223 1.00 0.00 C ATOM 327 O GLU A 24 3.457 5.455 4.388 1.00 0.00 O ATOM 328 CB GLU A 24 2.582 5.678 7.338 1.00 0.00 C ATOM 329 CG GLU A 24 1.486 5.911 8.363 1.00 0.00 C ATOM 330 CD GLU A 24 2.000 6.573 9.627 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.673 5.888 10.425 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.729 7.777 9.817 1.00 0.00 O ATOM 0 H GLU A 24 2.148 3.319 7.904 1.00 0.00 H new ATOM 0 HA GLU A 24 1.292 4.939 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.487 5.357 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.814 6.622 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.708 6.534 7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.024 4.957 8.619 1.00 0.00 H new ATOM 339 N MET A 25 4.103 3.490 5.272 1.00 0.00 N ATOM 340 CA MET A 25 5.193 3.296 4.322 1.00 0.00 C ATOM 341 C MET A 25 4.706 2.561 3.078 1.00 0.00 C ATOM 342 O MET A 25 5.421 2.468 2.080 1.00 0.00 O ATOM 343 CB MET A 25 6.335 2.515 4.976 1.00 0.00 C ATOM 344 CG MET A 25 7.383 3.403 5.628 1.00 0.00 C ATOM 345 SD MET A 25 8.283 4.408 4.432 1.00 0.00 S ATOM 346 CE MET A 25 8.766 3.163 3.239 1.00 0.00 C ATOM 0 H MET A 25 4.004 2.742 5.959 1.00 0.00 H new ATOM 0 HA MET A 25 5.559 4.278 4.022 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.921 1.843 5.728 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.816 1.892 4.222 1.00 0.00 H new ATOM 0 HG2 MET A 25 6.899 4.056 6.355 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.089 2.781 6.179 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.706 3.454 2.770 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.893 2.205 3.744 1.00 0.00 H new ATOM 0 HE3 MET A 25 7.993 3.071 2.476 1.00 0.00 H new ATOM 356 N ALA A 26 3.485 2.040 3.144 1.00 0.00 N ATOM 357 CA ALA A 26 2.902 1.315 2.021 1.00 0.00 C ATOM 358 C ALA A 26 3.294 1.952 0.693 1.00 0.00 C ATOM 359 O ALA A 26 3.064 3.141 0.470 1.00 0.00 O ATOM 360 CB ALA A 26 1.388 1.261 2.157 1.00 0.00 C ATOM 0 H ALA A 26 2.880 2.106 3.963 1.00 0.00 H new ATOM 0 HA ALA A 26 3.293 0.298 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.966 0.717 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.124 0.753 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.988 2.275 2.172 1.00 0.00 H new ATOM 366 N THR A 27 3.889 1.154 -0.189 1.00 0.00 N ATOM 367 CA THR A 27 4.315 1.641 -1.495 1.00 0.00 C ATOM 368 C THR A 27 3.154 1.655 -2.482 1.00 0.00 C ATOM 369 O THR A 27 3.347 1.861 -3.680 1.00 0.00 O ATOM 370 CB THR A 27 5.454 0.779 -2.071 1.00 0.00 C ATOM 371 OG1 THR A 27 4.991 -0.558 -2.294 1.00 0.00 O ATOM 372 CG2 THR A 27 6.647 0.758 -1.129 1.00 0.00 C ATOM 0 H THR A 27 4.087 0.167 -0.022 1.00 0.00 H new ATOM 0 HA THR A 27 4.677 2.659 -1.350 1.00 0.00 H new ATOM 0 HB THR A 27 5.768 1.217 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.434 -1.167 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.438 0.143 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.015 1.774 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.344 0.342 -0.168 1.00 0.00 H new ATOM 380 N VAL A 28 1.946 1.435 -1.971 1.00 0.00 N ATOM 381 CA VAL A 28 0.752 1.424 -2.808 1.00 0.00 C ATOM 382 C VAL A 28 -0.158 2.603 -2.482 1.00 0.00 C ATOM 383 O VAL A 28 -0.129 3.135 -1.373 1.00 0.00 O ATOM 384 CB VAL A 28 -0.041 0.115 -2.637 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.778 -0.234 -3.921 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.884 -1.017 -2.219 1.00 0.00 C ATOM 0 H VAL A 28 1.769 1.262 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 28 1.089 1.504 -3.842 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.781 0.259 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.333 -1.162 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.471 0.569 -4.172 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.059 -0.359 -4.731 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.307 -1.934 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.648 -1.163 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.361 -0.766 -1.272 1.00 0.00 H new ATOM 396 N ALA A 29 -0.965 3.008 -3.457 1.00 0.00 N ATOM 397 CA ALA A 29 -1.886 4.123 -3.274 1.00 0.00 C ATOM 398 C ALA A 29 -3.016 3.750 -2.321 1.00 0.00 C ATOM 399 O ALA A 29 -3.233 4.393 -1.294 1.00 0.00 O ATOM 400 CB ALA A 29 -2.449 4.568 -4.615 1.00 0.00 C ATOM 0 H ALA A 29 -1.000 2.580 -4.382 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.332 4.951 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.135 5.401 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.633 4.884 -5.265 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.983 3.738 -5.079 1.00 0.00 H new ATOM 406 N PRO A 30 -3.756 2.686 -2.667 1.00 0.00 N ATOM 407 CA PRO A 30 -4.878 2.204 -1.855 1.00 0.00 C ATOM 408 C PRO A 30 -4.416 1.579 -0.542 1.00 0.00 C ATOM 409 O PRO A 30 -4.918 1.920 0.529 1.00 0.00 O ATOM 410 CB PRO A 30 -5.534 1.148 -2.748 1.00 0.00 C ATOM 411 CG PRO A 30 -4.442 0.679 -3.646 1.00 0.00 C ATOM 412 CD PRO A 30 -3.555 1.871 -3.877 1.00 0.00 C ATOM 0 HA PRO A 30 -5.549 3.013 -1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.940 0.327 -2.157 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.361 1.570 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.885 -0.139 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.845 0.304 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.512 1.578 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.838 2.414 -4.779 1.00 0.00 H new ATOM 420 N VAL A 31 -3.457 0.663 -0.633 1.00 0.00 N ATOM 421 CA VAL A 31 -2.927 -0.008 0.548 1.00 0.00 C ATOM 422 C VAL A 31 -2.343 0.997 1.535 1.00 0.00 C ATOM 423 O VAL A 31 -2.097 0.671 2.697 1.00 0.00 O ATOM 424 CB VAL A 31 -1.840 -1.032 0.171 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.585 -1.990 1.325 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.238 -1.792 -1.086 1.00 0.00 C ATOM 0 H VAL A 31 -3.031 0.369 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.761 -0.531 1.017 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.914 -0.495 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.814 -2.706 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.253 -1.428 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.505 -2.523 1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.459 -2.511 -1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.176 -2.319 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.365 -1.090 -1.911 1.00 0.00 H new ATOM 436 N LEU A 32 -2.123 2.220 1.066 1.00 0.00 N ATOM 437 CA LEU A 32 -1.568 3.274 1.907 1.00 0.00 C ATOM 438 C LEU A 32 -2.677 4.118 2.526 1.00 0.00 C ATOM 439 O LEU A 32 -2.692 4.353 3.734 1.00 0.00 O ATOM 440 CB LEU A 32 -0.629 4.164 1.091 1.00 0.00 C ATOM 441 CG LEU A 32 -0.236 5.494 1.735 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.465 5.257 3.064 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.652 6.299 0.797 1.00 0.00 C ATOM 0 H LEU A 32 -2.321 2.506 0.107 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.004 2.803 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.281 3.602 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.102 4.374 0.132 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.144 6.067 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.737 6.215 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.204 4.722 3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.365 4.664 2.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.922 7.242 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.556 5.732 0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.115 6.500 -0.130 1.00 0.00 H new ATOM 455 N TYR A 33 -3.606 4.570 1.690 1.00 0.00 N ATOM 456 CA TYR A 33 -4.720 5.388 2.154 1.00 0.00 C ATOM 457 C TYR A 33 -5.406 4.742 3.354 1.00 0.00 C ATOM 458 O TYR A 33 -5.564 5.365 4.405 1.00 0.00 O ATOM 459 CB TYR A 33 -5.731 5.598 1.026 1.00 0.00 C ATOM 460 CG TYR A 33 -7.072 6.109 1.502 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.044 5.234 1.972 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.366 7.467 1.483 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.271 5.697 2.407 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.590 7.938 1.918 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.539 7.050 2.378 1.00 0.00 C ATOM 466 OH TYR A 33 -10.759 7.515 2.812 1.00 0.00 O ATOM 0 H TYR A 33 -3.609 4.383 0.687 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.324 6.356 2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.318 6.304 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.877 4.655 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.837 4.174 1.998 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.626 8.166 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.016 5.004 2.768 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.802 8.997 1.898 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.786 8.491 2.727 1.00 0.00 H new ATOM 476 N THR A 34 -5.813 3.487 3.191 1.00 0.00 N ATOM 477 CA THR A 34 -6.483 2.756 4.258 1.00 0.00 C ATOM 478 C THR A 34 -5.608 2.675 5.503 1.00 0.00 C ATOM 479 O THR A 34 -6.077 2.899 6.618 1.00 0.00 O ATOM 480 CB THR A 34 -6.856 1.329 3.813 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.752 0.725 3.130 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.075 1.347 2.903 1.00 0.00 C ATOM 0 H THR A 34 -5.690 2.956 2.329 1.00 0.00 H new ATOM 0 HA THR A 34 -7.394 3.306 4.493 1.00 0.00 H new ATOM 0 HB THR A 34 -7.096 0.745 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.671 1.112 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.319 0.328 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.921 1.780 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.859 1.945 2.018 1.00 0.00 H new ATOM 490 N ASN A 35 -4.333 2.355 5.305 1.00 0.00 N ATOM 491 CA ASN A 35 -3.392 2.245 6.413 1.00 0.00 C ATOM 492 C ASN A 35 -3.492 3.458 7.334 1.00 0.00 C ATOM 493 O ASN A 35 -3.471 3.323 8.558 1.00 0.00 O ATOM 494 CB ASN A 35 -1.962 2.110 5.884 1.00 0.00 C ATOM 495 CG ASN A 35 -1.589 0.669 5.590 1.00 0.00 C ATOM 496 OD1 ASN A 35 -0.654 0.477 4.667 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -2.136 -0.259 6.186 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.928 2.167 4.388 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.647 1.353 6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.856 2.703 4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.266 2.521 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.850 -0.064 6.888 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.875 -1.223 5.978 1.00 0.00 H new ATOM 504 N ILE A 36 -3.601 4.640 6.737 1.00 0.00 N ATOM 505 CA ILE A 36 -3.706 5.875 7.504 1.00 0.00 C ATOM 506 C ILE A 36 -5.148 6.145 7.916 1.00 0.00 C ATOM 507 O ILE A 36 -5.477 6.137 9.102 1.00 0.00 O ATOM 508 CB ILE A 36 -3.179 7.081 6.703 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.678 6.932 6.444 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.468 8.377 7.445 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.137 7.923 5.437 1.00 0.00 C ATOM 0 H ILE A 36 -3.619 4.768 5.725 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.094 5.745 8.396 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.693 7.113 5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.141 7.053 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.477 5.921 6.090 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.090 9.220 6.866 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.544 8.485 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.978 8.356 8.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.068 7.759 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.647 7.788 4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.306 8.938 5.798 1.00 0.00 H new ATOM 523 N ASN A 37 -6.006 6.382 6.929 1.00 0.00 N ATOM 524 CA ASN A 37 -7.415 6.653 7.190 1.00 0.00 C ATOM 525 C ASN A 37 -8.011 5.596 8.114 1.00 0.00 C ATOM 526 O ASN A 37 -8.613 5.919 9.138 1.00 0.00 O ATOM 527 CB ASN A 37 -8.199 6.698 5.876 1.00 0.00 C ATOM 528 CG ASN A 37 -8.074 8.036 5.173 1.00 0.00 C ATOM 529 OD1 ASN A 37 -7.058 8.167 4.328 1.00 0.00 O flip ATOM 530 ND2 ASN A 37 -8.881 8.940 5.388 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.750 6.392 5.942 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.487 7.623 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.841 5.909 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.251 6.493 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.647 8.794 6.046 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.784 9.835 4.908 1.00 0.00 H new ATOM 537 N PHE A 38 -7.837 4.330 7.746 1.00 0.00 N ATOM 538 CA PHE A 38 -8.358 3.225 8.542 1.00 0.00 C ATOM 539 C PHE A 38 -7.228 2.495 9.263 1.00 0.00 C ATOM 540 O PHE A 38 -6.710 1.482 8.793 1.00 0.00 O ATOM 541 CB PHE A 38 -9.126 2.246 7.652 1.00 0.00 C ATOM 542 CG PHE A 38 -10.379 2.828 7.063 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.318 3.673 5.967 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.619 2.530 7.606 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.469 4.210 5.423 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.773 3.064 7.066 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.698 3.906 5.973 1.00 0.00 C ATOM 0 H PHE A 38 -7.340 4.045 6.902 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.037 3.636 9.289 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.474 1.914 6.844 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.385 1.363 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.359 3.915 5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.684 1.873 8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.407 4.867 4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.733 2.823 7.498 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.599 4.325 5.550 1.00 0.00 H new ATOM 557 N PRO A 39 -6.836 3.022 10.433 1.00 0.00 N ATOM 558 CA PRO A 39 -5.764 2.437 11.245 1.00 0.00 C ATOM 559 C PRO A 39 -6.169 1.106 11.868 1.00 0.00 C ATOM 560 O PRO A 39 -5.366 0.178 11.948 1.00 0.00 O ATOM 561 CB PRO A 39 -5.530 3.488 12.333 1.00 0.00 C ATOM 562 CG PRO A 39 -6.825 4.218 12.439 1.00 0.00 C ATOM 563 CD PRO A 39 -7.409 4.228 11.053 1.00 0.00 C ATOM 0 HA PRO A 39 -4.878 2.214 10.651 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.259 3.023 13.281 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.716 4.162 12.064 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.496 3.723 13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.672 5.233 12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.498 4.190 11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.133 5.130 10.507 1.00 0.00 H new ATOM 571 N ASN A 40 -7.421 1.020 12.307 1.00 0.00 N ATOM 572 CA ASN A 40 -7.932 -0.199 12.924 1.00 0.00 C ATOM 573 C ASN A 40 -8.548 -1.122 11.876 1.00 0.00 C ATOM 574 O ASN A 40 -9.253 -2.075 12.210 1.00 0.00 O ATOM 575 CB ASN A 40 -8.972 0.143 13.993 1.00 0.00 C ATOM 576 CG ASN A 40 -8.401 1.009 15.099 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.998 2.014 15.486 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.238 0.623 15.612 1.00 0.00 N ATOM 0 H ASN A 40 -8.100 1.779 12.247 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.096 -0.718 13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.811 0.660 13.527 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.364 -0.779 14.423 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.804 1.167 16.358 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.779 -0.217 15.260 1.00 0.00 H new ATOM 585 N LEU A 41 -8.276 -0.833 10.608 1.00 0.00 N ATOM 586 CA LEU A 41 -8.802 -1.636 9.510 1.00 0.00 C ATOM 587 C LEU A 41 -8.701 -3.125 9.828 1.00 0.00 C ATOM 588 O LEU A 41 -9.701 -3.843 9.812 1.00 0.00 O ATOM 589 CB LEU A 41 -8.045 -1.327 8.218 1.00 0.00 C ATOM 590 CG LEU A 41 -8.625 -1.932 6.939 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.643 -0.989 6.316 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.515 -2.251 5.949 1.00 0.00 C ATOM 0 H LEU A 41 -7.694 -0.048 10.315 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.854 -1.382 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.001 -0.245 8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.019 -1.678 8.329 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.132 -2.862 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.045 -1.436 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.454 -0.811 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.161 -0.043 6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.946 -2.681 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.979 -1.336 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.823 -2.965 6.396 1.00 0.00 H new ATOM 604 N LYS A 42 -7.488 -3.581 10.120 1.00 0.00 N ATOM 605 CA LYS A 42 -7.256 -4.984 10.445 1.00 0.00 C ATOM 606 C LYS A 42 -8.361 -5.523 11.347 1.00 0.00 C ATOM 607 O LYS A 42 -8.842 -6.640 11.154 1.00 0.00 O ATOM 608 CB LYS A 42 -5.897 -5.151 11.130 1.00 0.00 C ATOM 609 CG LYS A 42 -5.695 -4.222 12.314 1.00 0.00 C ATOM 610 CD LYS A 42 -4.466 -4.607 13.121 1.00 0.00 C ATOM 611 CE LYS A 42 -4.627 -4.243 14.589 1.00 0.00 C ATOM 612 NZ LYS A 42 -5.535 -5.187 15.297 1.00 0.00 N ATOM 0 H LYS A 42 -6.650 -3.000 10.138 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.260 -5.553 9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.793 -6.183 11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.107 -4.973 10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.592 -3.196 11.960 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.576 -4.251 12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.289 -5.679 13.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.589 -4.103 12.714 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.651 -4.246 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.020 -3.230 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.781 -4.798 16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.402 -5.320 14.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.057 -6.103 15.419 1.00 0.00 H new ATOM 626 N GLU A 43 -8.761 -4.723 12.330 1.00 0.00 N ATOM 627 CA GLU A 43 -9.811 -5.121 13.260 1.00 0.00 C ATOM 628 C GLU A 43 -11.127 -5.358 12.525 1.00 0.00 C ATOM 629 O GLU A 43 -11.682 -6.455 12.564 1.00 0.00 O ATOM 630 CB GLU A 43 -10.001 -4.052 14.338 1.00 0.00 C ATOM 631 CG GLU A 43 -8.746 -3.777 15.150 1.00 0.00 C ATOM 632 CD GLU A 43 -8.496 -4.831 16.212 1.00 0.00 C ATOM 633 OE1 GLU A 43 -8.190 -5.984 15.841 1.00 0.00 O ATOM 634 OE2 GLU A 43 -8.605 -4.503 17.411 1.00 0.00 O ATOM 0 H GLU A 43 -8.374 -3.795 12.503 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.506 -6.054 13.734 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.328 -3.126 13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.798 -4.365 15.012 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.887 -3.730 14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.832 -2.800 15.626 1.00 0.00 H new ATOM 641 N GLU A 44 -11.621 -4.319 11.858 1.00 0.00 N ATOM 642 CA GLU A 44 -12.872 -4.414 11.116 1.00 0.00 C ATOM 643 C GLU A 44 -12.872 -5.636 10.201 1.00 0.00 C ATOM 644 O GLU A 44 -13.877 -6.337 10.084 1.00 0.00 O ATOM 645 CB GLU A 44 -13.099 -3.146 10.290 1.00 0.00 C ATOM 646 CG GLU A 44 -13.823 -2.047 11.049 1.00 0.00 C ATOM 647 CD GLU A 44 -14.067 -0.814 10.200 1.00 0.00 C ATOM 648 OE1 GLU A 44 -13.119 -0.363 9.523 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.205 -0.301 10.212 1.00 0.00 O ATOM 0 H GLU A 44 -11.174 -3.403 11.817 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.683 -4.521 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.135 -2.767 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.674 -3.401 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.778 -2.429 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.238 -1.770 11.926 1.00 0.00 H new ATOM 656 N PHE A 45 -11.737 -5.884 9.556 1.00 0.00 N ATOM 657 CA PHE A 45 -11.605 -7.019 8.650 1.00 0.00 C ATOM 658 C PHE A 45 -10.291 -7.757 8.891 1.00 0.00 C ATOM 659 O PHE A 45 -9.246 -7.411 8.339 1.00 0.00 O ATOM 660 CB PHE A 45 -11.682 -6.551 7.196 1.00 0.00 C ATOM 661 CG PHE A 45 -12.691 -5.462 6.969 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.372 -4.138 7.225 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.960 -5.762 6.500 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.298 -3.134 7.017 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.891 -4.762 6.290 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.560 -3.447 6.550 1.00 0.00 C ATOM 0 H PHE A 45 -10.895 -5.314 9.644 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.428 -7.706 8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.700 -6.196 6.885 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.929 -7.402 6.561 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.387 -3.888 7.592 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.225 -6.789 6.296 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.036 -2.106 7.219 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.876 -5.009 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.286 -2.664 6.389 1.00 0.00 H new ATOM 676 N PRO A 46 -10.343 -8.797 9.735 1.00 0.00 N ATOM 677 CA PRO A 46 -9.166 -9.606 10.069 1.00 0.00 C ATOM 678 C PRO A 46 -8.696 -10.456 8.894 1.00 0.00 C ATOM 679 O PRO A 46 -7.507 -10.487 8.575 1.00 0.00 O ATOM 680 CB PRO A 46 -9.661 -10.497 11.210 1.00 0.00 C ATOM 681 CG PRO A 46 -11.134 -10.587 11.010 1.00 0.00 C ATOM 682 CD PRO A 46 -11.554 -9.266 10.429 1.00 0.00 C ATOM 0 HA PRO A 46 -8.308 -8.988 10.334 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.196 -11.482 11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.419 -10.066 12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.387 -11.407 10.338 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.645 -10.779 11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.393 -9.378 9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.868 -8.568 11.205 1.00 0.00 H new ATOM 690 N ASP A 47 -9.635 -11.145 8.254 1.00 0.00 N ATOM 691 CA ASP A 47 -9.316 -11.995 7.113 1.00 0.00 C ATOM 692 C ASP A 47 -8.966 -11.154 5.890 1.00 0.00 C ATOM 693 O ASP A 47 -9.804 -10.417 5.371 1.00 0.00 O ATOM 694 CB ASP A 47 -10.492 -12.918 6.793 1.00 0.00 C ATOM 695 CG ASP A 47 -10.958 -13.703 8.004 1.00 0.00 C ATOM 696 OD1 ASP A 47 -10.109 -14.037 8.856 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.171 -13.985 8.098 1.00 0.00 O ATOM 0 H ASP A 47 -10.623 -11.131 8.506 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.449 -12.602 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.321 -12.325 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.202 -13.611 6.004 1.00 0.00 H new ATOM 702 N TRP A 48 -7.723 -11.268 5.436 1.00 0.00 N ATOM 703 CA TRP A 48 -7.262 -10.517 4.274 1.00 0.00 C ATOM 704 C TRP A 48 -8.248 -10.642 3.118 1.00 0.00 C ATOM 705 O TRP A 48 -8.800 -9.646 2.649 1.00 0.00 O ATOM 706 CB TRP A 48 -5.881 -11.010 3.837 1.00 0.00 C ATOM 707 CG TRP A 48 -5.417 -10.409 2.545 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.178 -11.068 1.373 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.133 -9.028 2.296 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.763 -10.180 0.410 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.728 -8.922 0.951 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.183 -7.870 3.078 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.375 -7.705 0.374 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.832 -6.663 2.503 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.433 -6.588 1.162 1.00 0.00 C ATOM 0 H TRP A 48 -7.017 -11.873 5.855 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.193 -9.466 4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.157 -10.778 4.618 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.906 -12.095 3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.298 -12.131 1.225 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.520 -10.419 -0.552 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.490 -7.918 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.066 -7.645 -0.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.866 -5.762 3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.166 -5.630 0.742 1.00 0.00 H new ATOM 726 N THR A 49 -8.467 -11.872 2.662 1.00 0.00 N ATOM 727 CA THR A 49 -9.387 -12.126 1.561 1.00 0.00 C ATOM 728 C THR A 49 -10.658 -11.297 1.703 1.00 0.00 C ATOM 729 O THR A 49 -11.343 -11.017 0.719 1.00 0.00 O ATOM 730 CB THR A 49 -9.767 -13.617 1.479 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.601 -14.430 1.654 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.418 -13.937 0.142 1.00 0.00 C ATOM 0 H THR A 49 -8.019 -12.707 3.039 1.00 0.00 H new ATOM 0 HA THR A 49 -8.870 -11.839 0.645 1.00 0.00 H new ATOM 0 HB THR A 49 -10.482 -13.831 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.851 -15.376 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.677 -14.995 0.108 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.321 -13.338 0.024 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.723 -13.707 -0.665 1.00 0.00 H new ATOM 740 N THR A 50 -10.968 -10.903 2.934 1.00 0.00 N ATOM 741 CA THR A 50 -12.157 -10.105 3.205 1.00 0.00 C ATOM 742 C THR A 50 -11.807 -8.629 3.352 1.00 0.00 C ATOM 743 O THR A 50 -12.626 -7.756 3.064 1.00 0.00 O ATOM 744 CB THR A 50 -12.873 -10.581 4.483 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.313 -11.934 4.324 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.065 -9.689 4.800 1.00 0.00 C ATOM 0 H THR A 50 -10.411 -11.124 3.760 1.00 0.00 H new ATOM 0 HA THR A 50 -12.825 -10.234 2.353 1.00 0.00 H new ATOM 0 HB THR A 50 -12.166 -10.524 5.311 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.766 -12.229 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.555 -10.045 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.723 -8.665 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.772 -9.718 3.971 1.00 0.00 H new ATOM 754 N ARG A 51 -10.586 -8.357 3.800 1.00 0.00 N ATOM 755 CA ARG A 51 -10.128 -6.985 3.985 1.00 0.00 C ATOM 756 C ARG A 51 -9.765 -6.348 2.647 1.00 0.00 C ATOM 757 O ARG A 51 -10.214 -5.246 2.331 1.00 0.00 O ATOM 758 CB ARG A 51 -8.919 -6.951 4.922 1.00 0.00 C ATOM 759 CG ARG A 51 -8.385 -5.550 5.176 1.00 0.00 C ATOM 760 CD ARG A 51 -7.309 -5.551 6.250 1.00 0.00 C ATOM 761 NE ARG A 51 -6.006 -5.943 5.720 1.00 0.00 N ATOM 762 CZ ARG A 51 -4.983 -6.314 6.482 1.00 0.00 C ATOM 763 NH1 ARG A 51 -5.113 -6.343 7.802 1.00 0.00 N ATOM 764 NH2 ARG A 51 -3.829 -6.656 5.925 1.00 0.00 N ATOM 0 H ARG A 51 -9.896 -9.068 4.042 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.942 -6.414 4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.195 -7.404 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.123 -7.563 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.977 -5.142 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.203 -4.897 5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.237 -4.557 6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.596 -6.234 7.049 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.874 -5.931 4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.999 -6.080 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.327 -6.628 8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.726 -6.634 4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.044 -6.941 6.511 1.00 0.00 H new ATOM 778 N VAL A 52 -8.951 -7.049 1.864 1.00 0.00 N ATOM 779 CA VAL A 52 -8.529 -6.552 0.560 1.00 0.00 C ATOM 780 C VAL A 52 -9.705 -5.963 -0.210 1.00 0.00 C ATOM 781 O VAL A 52 -9.595 -4.893 -0.809 1.00 0.00 O ATOM 782 CB VAL A 52 -7.884 -7.668 -0.283 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.900 -8.756 -0.596 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.294 -7.095 -1.563 1.00 0.00 C ATOM 0 H VAL A 52 -8.571 -7.963 2.110 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.790 -5.771 0.742 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.075 -8.115 0.295 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.426 -9.536 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.271 -9.186 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.732 -8.327 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.842 -7.897 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.083 -6.621 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.533 -6.355 -1.314 1.00 0.00 H new ATOM 794 N LYS A 53 -10.831 -6.667 -0.191 1.00 0.00 N ATOM 795 CA LYS A 53 -12.030 -6.214 -0.886 1.00 0.00 C ATOM 796 C LYS A 53 -12.410 -4.802 -0.451 1.00 0.00 C ATOM 797 O LYS A 53 -12.847 -3.990 -1.266 1.00 0.00 O ATOM 798 CB LYS A 53 -13.193 -7.172 -0.617 1.00 0.00 C ATOM 799 CG LYS A 53 -12.923 -8.597 -1.068 1.00 0.00 C ATOM 800 CD LYS A 53 -13.974 -9.558 -0.538 1.00 0.00 C ATOM 801 CE LYS A 53 -14.023 -10.838 -1.357 1.00 0.00 C ATOM 802 NZ LYS A 53 -15.257 -11.626 -1.083 1.00 0.00 N ATOM 0 H LYS A 53 -10.939 -7.555 0.299 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.817 -6.201 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.413 -7.173 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.083 -6.801 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.907 -8.638 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.937 -8.908 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.756 -9.799 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.951 -9.076 -0.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.977 -10.592 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.147 -11.446 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.252 -12.491 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.288 -11.883 -0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.093 -11.055 -1.321 1.00 0.00 H new ATOM 816 N GLN A 54 -12.238 -4.518 0.836 1.00 0.00 N ATOM 817 CA GLN A 54 -12.563 -3.203 1.377 1.00 0.00 C ATOM 818 C GLN A 54 -11.608 -2.142 0.839 1.00 0.00 C ATOM 819 O GLN A 54 -12.032 -1.178 0.202 1.00 0.00 O ATOM 820 CB GLN A 54 -12.506 -3.229 2.905 1.00 0.00 C ATOM 821 CG GLN A 54 -13.454 -4.239 3.532 1.00 0.00 C ATOM 822 CD GLN A 54 -14.893 -3.762 3.541 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.128 -2.602 4.142 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.783 -4.428 3.012 1.00 0.00 N flip ATOM 0 H GLN A 54 -11.876 -5.180 1.523 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.575 -2.948 1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.487 -3.456 3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.743 -2.236 3.286 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.391 -5.179 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.137 -4.443 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.557 -5.315 2.561 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.746 -4.093 3.025 1.00 0.00 H new ATOM 833 N ILE A 55 -10.318 -2.327 1.100 1.00 0.00 N ATOM 834 CA ILE A 55 -9.304 -1.386 0.641 1.00 0.00 C ATOM 835 C ILE A 55 -9.655 -0.826 -0.733 1.00 0.00 C ATOM 836 O ILE A 55 -9.375 0.334 -1.032 1.00 0.00 O ATOM 837 CB ILE A 55 -7.914 -2.045 0.575 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.462 -2.476 1.972 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.904 -1.090 -0.043 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.299 -3.443 1.959 1.00 0.00 C ATOM 0 H ILE A 55 -9.951 -3.120 1.627 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.277 -0.572 1.366 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.979 -2.932 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.182 -1.591 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.302 -2.938 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.926 -1.570 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.221 -0.828 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.840 -0.186 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.032 -3.705 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.582 -4.345 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.444 -2.977 1.469 1.00 0.00 H new ATOM 852 N ALA A 56 -10.272 -1.659 -1.565 1.00 0.00 N ATOM 853 CA ALA A 56 -10.665 -1.246 -2.907 1.00 0.00 C ATOM 854 C ALA A 56 -11.905 -0.358 -2.867 1.00 0.00 C ATOM 855 O ALA A 56 -11.924 0.725 -3.451 1.00 0.00 O ATOM 856 CB ALA A 56 -10.915 -2.465 -3.782 1.00 0.00 C ATOM 0 H ALA A 56 -10.510 -2.623 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.848 -0.666 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.208 -2.142 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.004 -3.060 -3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.713 -3.067 -3.347 1.00 0.00 H new ATOM 862 N LYS A 57 -12.938 -0.824 -2.174 1.00 0.00 N ATOM 863 CA LYS A 57 -14.182 -0.073 -2.057 1.00 0.00 C ATOM 864 C LYS A 57 -13.936 1.292 -1.424 1.00 0.00 C ATOM 865 O LYS A 57 -14.554 2.287 -1.807 1.00 0.00 O ATOM 866 CB LYS A 57 -15.199 -0.857 -1.224 1.00 0.00 C ATOM 867 CG LYS A 57 -15.124 -0.562 0.264 1.00 0.00 C ATOM 868 CD LYS A 57 -15.996 0.624 0.642 1.00 0.00 C ATOM 869 CE LYS A 57 -17.471 0.252 0.648 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.810 -0.649 1.784 1.00 0.00 N ATOM 0 H LYS A 57 -12.938 -1.719 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.582 0.078 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.203 -0.627 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.041 -1.924 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.440 -1.441 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.090 -0.359 0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.708 0.989 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.828 1.439 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.074 1.158 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.726 -0.237 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.842 -0.677 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.459 -1.607 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.366 -0.293 2.654 1.00 0.00 H new ATOM 884 N LEU A 58 -13.029 1.334 -0.454 1.00 0.00 N ATOM 885 CA LEU A 58 -12.699 2.579 0.232 1.00 0.00 C ATOM 886 C LEU A 58 -11.811 3.462 -0.638 1.00 0.00 C ATOM 887 O LEU A 58 -11.821 4.686 -0.512 1.00 0.00 O ATOM 888 CB LEU A 58 -11.999 2.283 1.560 1.00 0.00 C ATOM 889 CG LEU A 58 -12.798 1.461 2.571 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.881 0.898 3.645 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.898 2.307 3.196 1.00 0.00 C ATOM 0 H LEU A 58 -12.509 0.521 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.628 3.113 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.069 1.756 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.729 3.231 2.025 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.263 0.627 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.468 0.316 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.130 0.257 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.387 1.717 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.457 1.705 3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.454 3.161 3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.572 2.661 2.416 1.00 0.00 H new ATOM 903 N TRP A 59 -11.046 2.832 -1.523 1.00 0.00 N ATOM 904 CA TRP A 59 -10.153 3.561 -2.417 1.00 0.00 C ATOM 905 C TRP A 59 -10.925 4.161 -3.587 1.00 0.00 C ATOM 906 O TRP A 59 -10.675 5.298 -3.988 1.00 0.00 O ATOM 907 CB TRP A 59 -9.052 2.635 -2.937 1.00 0.00 C ATOM 908 CG TRP A 59 -8.154 3.288 -3.944 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.144 3.077 -5.293 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.133 4.257 -3.681 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.179 3.856 -5.884 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.545 4.590 -4.917 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.660 4.878 -2.522 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.509 5.513 -5.024 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.631 5.794 -2.629 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.065 6.106 -3.873 1.00 0.00 C ATOM 0 H TRP A 59 -11.026 1.819 -1.641 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.697 4.374 -1.852 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.452 2.288 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.510 1.754 -3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.799 2.397 -5.818 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.969 3.883 -6.882 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.091 4.646 -1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.071 5.753 -5.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.256 6.278 -1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.263 6.828 -3.924 1.00 0.00 H new ATOM 927 N ARG A 60 -11.862 3.391 -4.129 1.00 0.00 N ATOM 928 CA ARG A 60 -12.670 3.848 -5.254 1.00 0.00 C ATOM 929 C ARG A 60 -13.547 5.029 -4.849 1.00 0.00 C ATOM 930 O ARG A 60 -13.556 6.066 -5.512 1.00 0.00 O ATOM 931 CB ARG A 60 -13.542 2.707 -5.779 1.00 0.00 C ATOM 932 CG ARG A 60 -12.748 1.569 -6.400 1.00 0.00 C ATOM 933 CD ARG A 60 -13.652 0.600 -7.146 1.00 0.00 C ATOM 934 NE ARG A 60 -12.899 -0.495 -7.752 1.00 0.00 N ATOM 935 CZ ARG A 60 -13.464 -1.490 -8.426 1.00 0.00 C ATOM 936 NH1 ARG A 60 -14.781 -1.528 -8.580 1.00 0.00 N ATOM 937 NH2 ARG A 60 -12.712 -2.450 -8.949 1.00 0.00 N ATOM 0 H ARG A 60 -12.081 2.448 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.995 4.174 -6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.143 2.314 -4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.235 3.103 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.004 1.975 -7.085 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.205 1.035 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.393 0.193 -6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.198 1.137 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.884 -0.495 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.363 -0.792 -8.180 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.212 -2.294 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.699 -2.424 -8.834 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.147 -3.214 -9.466 1.00 0.00 H new ATOM 951 N LYS A 61 -14.286 4.863 -3.757 1.00 0.00 N ATOM 952 CA LYS A 61 -15.168 5.914 -3.262 1.00 0.00 C ATOM 953 C LYS A 61 -14.413 7.231 -3.113 1.00 0.00 C ATOM 954 O LYS A 61 -15.013 8.305 -3.121 1.00 0.00 O ATOM 955 CB LYS A 61 -15.776 5.507 -1.918 1.00 0.00 C ATOM 956 CG LYS A 61 -14.795 5.576 -0.761 1.00 0.00 C ATOM 957 CD LYS A 61 -15.500 5.880 0.550 1.00 0.00 C ATOM 958 CE LYS A 61 -16.379 4.720 0.993 1.00 0.00 C ATOM 959 NZ LYS A 61 -17.351 5.130 2.043 1.00 0.00 N ATOM 0 H LYS A 61 -14.292 4.010 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.969 6.054 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.626 6.155 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -16.162 4.491 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -14.262 4.629 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.049 6.345 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.760 6.092 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.109 6.777 0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.919 4.325 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.752 3.914 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.931 4.312 2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.836 5.484 2.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.967 5.882 1.672 1.00 0.00 H new ATOM 973 N ALA A 62 -13.094 7.140 -2.978 1.00 0.00 N ATOM 974 CA ALA A 62 -12.258 8.325 -2.830 1.00 0.00 C ATOM 975 C ALA A 62 -12.160 9.095 -4.143 1.00 0.00 C ATOM 976 O ALA A 62 -11.955 8.507 -5.204 1.00 0.00 O ATOM 977 CB ALA A 62 -10.871 7.935 -2.340 1.00 0.00 C ATOM 0 H ALA A 62 -12.582 6.258 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.723 8.977 -2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.258 8.830 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.953 7.435 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.407 7.260 -3.060 1.00 0.00 H new ATOM 983 N SER A 63 -12.309 10.414 -4.062 1.00 0.00 N ATOM 984 CA SER A 63 -12.243 11.264 -5.245 1.00 0.00 C ATOM 985 C SER A 63 -10.817 11.333 -5.785 1.00 0.00 C ATOM 986 O SER A 63 -9.852 11.145 -5.045 1.00 0.00 O ATOM 987 CB SER A 63 -12.744 12.671 -4.917 1.00 0.00 C ATOM 988 OG SER A 63 -14.160 12.725 -4.935 1.00 0.00 O ATOM 0 H SER A 63 -12.476 10.916 -3.190 1.00 0.00 H new ATOM 0 HA SER A 63 -12.883 10.828 -6.012 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.378 12.971 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.341 13.382 -5.638 1.00 0.00 H new ATOM 0 HG SER A 63 -14.455 13.634 -4.721 1.00 0.00 H new ATOM 994 N SER A 64 -10.694 11.604 -7.080 1.00 0.00 N ATOM 995 CA SER A 64 -9.387 11.694 -7.721 1.00 0.00 C ATOM 996 C SER A 64 -8.493 12.693 -6.993 1.00 0.00 C ATOM 997 O SER A 64 -7.316 12.425 -6.750 1.00 0.00 O ATOM 998 CB SER A 64 -9.542 12.105 -9.187 1.00 0.00 C ATOM 999 OG SER A 64 -10.478 11.275 -9.853 1.00 0.00 O ATOM 0 H SER A 64 -11.483 11.765 -7.706 1.00 0.00 H new ATOM 0 HA SER A 64 -8.918 10.711 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.867 13.144 -9.244 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.576 12.045 -9.689 1.00 0.00 H new ATOM 0 HG SER A 64 -10.560 11.559 -10.787 1.00 0.00 H new ATOM 1005 N GLN A 65 -9.060 13.844 -6.649 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.314 14.884 -5.949 1.00 0.00 C ATOM 1007 C GLN A 65 -7.890 14.410 -4.563 1.00 0.00 C ATOM 1008 O GLN A 65 -7.084 15.058 -3.896 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.158 16.154 -5.830 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.240 16.953 -7.121 1.00 0.00 C ATOM 1011 CD GLN A 65 -10.357 16.481 -8.030 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -10.111 15.854 -9.061 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -11.594 16.782 -7.653 1.00 0.00 N ATOM 0 H GLN A 65 -10.033 14.081 -6.843 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.417 15.105 -6.528 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.166 15.882 -5.516 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.740 16.786 -5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.391 18.006 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.290 16.879 -7.650 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.752 17.303 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.387 16.492 -8.226 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.437 13.276 -4.137 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.115 12.716 -2.830 1.00 0.00 C ATOM 1024 C GLU A 66 -6.921 11.771 -2.922 1.00 0.00 C ATOM 1025 O GLU A 66 -6.081 11.726 -2.023 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.324 11.975 -2.256 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.145 11.549 -0.808 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.460 11.213 -0.132 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.298 10.536 -0.765 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.652 11.627 1.030 1.00 0.00 O ATOM 0 H GLU A 66 -9.105 12.727 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.854 13.539 -2.165 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.202 12.616 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.521 11.092 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.488 10.681 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.651 12.349 -0.256 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.853 11.017 -4.014 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.764 10.071 -4.223 1.00 0.00 C ATOM 1039 C ARG A 67 -4.504 10.789 -4.697 1.00 0.00 C ATOM 1040 O ARG A 67 -3.398 10.260 -4.589 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.172 9.008 -5.244 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.600 8.515 -5.073 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.198 8.068 -6.397 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.362 7.077 -7.069 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.578 6.652 -8.309 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.598 7.129 -9.008 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.773 5.748 -8.851 1.00 0.00 N ATOM 0 H ARG A 67 -7.540 11.043 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.549 9.587 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.056 9.417 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.492 8.160 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.617 7.685 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.212 9.310 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.189 7.648 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.327 8.934 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.569 6.690 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.219 7.824 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.762 6.801 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.987 5.378 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.940 5.422 -9.803 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.680 11.997 -5.224 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.557 12.788 -5.713 1.00 0.00 C ATOM 1063 C ALA A 68 -2.301 12.526 -4.890 1.00 0.00 C ATOM 1064 O ALA A 68 -1.267 12.104 -5.408 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.906 14.269 -5.691 1.00 0.00 C ATOM 0 H ALA A 68 -5.589 12.449 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.354 12.489 -6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.059 14.848 -6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.772 14.448 -6.328 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.138 14.573 -4.670 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.389 12.781 -3.576 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.268 12.580 -2.654 1.00 0.00 C ATOM 1073 C PRO A 69 -0.947 11.104 -2.445 1.00 0.00 C ATOM 1074 O PRO A 69 0.204 10.685 -2.575 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.764 13.210 -1.350 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.249 13.133 -1.434 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.590 13.286 -2.890 1.00 0.00 C ATOM 0 HA PRO A 69 -0.345 13.020 -3.032 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.388 12.670 -0.481 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.426 14.242 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.613 12.182 -1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.715 13.919 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.477 12.712 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.793 14.325 -3.148 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.970 10.321 -2.120 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.796 8.892 -1.891 1.00 0.00 C ATOM 1087 C TYR A 70 -1.260 8.201 -3.141 1.00 0.00 C ATOM 1088 O TYR A 70 -0.797 7.061 -3.085 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.122 8.256 -1.473 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.733 8.884 -0.240 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.152 8.714 1.010 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.891 9.647 -0.326 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.706 9.286 2.139 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.452 10.223 0.797 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.856 10.040 2.027 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.412 10.611 3.149 1.00 0.00 O ATOM 0 H TYR A 70 -2.928 10.652 -2.009 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.070 8.765 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.829 8.334 -2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.964 7.193 -1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.252 8.125 1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.361 9.792 -1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.242 9.144 3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.352 10.813 0.712 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.960 9.947 3.617 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.324 8.901 -4.270 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.844 8.357 -5.535 1.00 0.00 C ATOM 1108 C VAL A 71 0.646 8.621 -5.716 1.00 0.00 C ATOM 1109 O VAL A 71 1.380 7.771 -6.219 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.610 8.956 -6.730 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.055 8.422 -8.041 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.097 8.661 -6.611 1.00 0.00 C ATOM 0 H VAL A 71 -1.703 9.846 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.018 7.281 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.476 10.038 -6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.608 8.856 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.002 8.690 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.157 7.337 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.623 9.091 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.254 7.582 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.482 9.097 -5.689 1.00 0.00 H new ATOM 1122 N GLN A 72 1.086 9.805 -5.302 1.00 0.00 N ATOM 1123 CA GLN A 72 2.490 10.181 -5.420 1.00 0.00 C ATOM 1124 C GLN A 72 3.302 9.623 -4.256 1.00 0.00 C ATOM 1125 O GLN A 72 4.405 9.108 -4.445 1.00 0.00 O ATOM 1126 CB GLN A 72 2.629 11.704 -5.470 1.00 0.00 C ATOM 1127 CG GLN A 72 4.044 12.194 -5.208 1.00 0.00 C ATOM 1128 CD GLN A 72 5.008 11.815 -6.315 1.00 0.00 C ATOM 1129 OE1 GLN A 72 4.923 12.328 -7.431 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.933 10.912 -6.012 1.00 0.00 N ATOM 0 H GLN A 72 0.491 10.520 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 72 2.878 9.757 -6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.306 12.058 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.958 12.146 -4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.034 13.278 -5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.399 11.779 -4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.968 10.512 -5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.609 10.618 -6.717 1.00 0.00 H new ATOM 1139 N LYS A 73 2.751 9.729 -3.052 1.00 0.00 N ATOM 1140 CA LYS A 73 3.423 9.234 -1.856 1.00 0.00 C ATOM 1141 C LYS A 73 3.839 7.776 -2.030 1.00 0.00 C ATOM 1142 O LYS A 73 4.975 7.406 -1.732 1.00 0.00 O ATOM 1143 CB LYS A 73 2.508 9.372 -0.637 1.00 0.00 C ATOM 1144 CG LYS A 73 3.224 9.174 0.687 1.00 0.00 C ATOM 1145 CD LYS A 73 2.413 9.724 1.848 1.00 0.00 C ATOM 1146 CE LYS A 73 2.722 8.989 3.143 1.00 0.00 C ATOM 1147 NZ LYS A 73 2.393 9.812 4.340 1.00 0.00 N ATOM 0 H LYS A 73 1.840 10.154 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 73 4.320 9.834 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.049 10.361 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.700 8.645 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.412 8.112 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.195 9.668 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.627 10.786 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.350 9.637 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.156 8.058 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.778 8.721 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.618 9.276 5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.951 10.689 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.380 10.046 4.332 1.00 0.00 H new ATOM 1161 N ALA A 74 2.914 6.955 -2.514 1.00 0.00 N ATOM 1162 CA ALA A 74 3.186 5.540 -2.730 1.00 0.00 C ATOM 1163 C ALA A 74 4.467 5.344 -3.535 1.00 0.00 C ATOM 1164 O ALA A 74 5.294 4.494 -3.206 1.00 0.00 O ATOM 1165 CB ALA A 74 2.012 4.877 -3.435 1.00 0.00 C ATOM 0 H ALA A 74 1.969 7.246 -2.764 1.00 0.00 H new ATOM 0 HA ALA A 74 3.323 5.070 -1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.230 3.820 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.116 4.977 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.848 5.358 -4.399 1.00 0.00 H new ATOM 1171 N ARG A 75 4.623 6.135 -4.591 1.00 0.00 N ATOM 1172 CA ARG A 75 5.802 6.047 -5.444 1.00 0.00 C ATOM 1173 C ARG A 75 7.059 6.446 -4.677 1.00 0.00 C ATOM 1174 O ARG A 75 8.109 5.819 -4.816 1.00 0.00 O ATOM 1175 CB ARG A 75 5.637 6.942 -6.674 1.00 0.00 C ATOM 1176 CG ARG A 75 4.482 6.533 -7.573 1.00 0.00 C ATOM 1177 CD ARG A 75 4.109 7.646 -8.541 1.00 0.00 C ATOM 1178 NE ARG A 75 5.170 7.908 -9.509 1.00 0.00 N ATOM 1179 CZ ARG A 75 5.019 8.691 -10.571 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.856 9.286 -10.800 1.00 0.00 N ATOM 1181 NH2 ARG A 75 6.032 8.880 -11.407 1.00 0.00 N ATOM 0 H ARG A 75 3.948 6.844 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 75 5.908 5.012 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.485 7.971 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.561 6.924 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.754 5.638 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.617 6.276 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.195 7.375 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.896 8.557 -7.981 1.00 0.00 H new ATOM 0 HE ARG A 75 6.077 7.465 -9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.075 9.143 -10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.743 9.887 -11.616 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.928 8.424 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.915 9.482 -12.222 1.00 0.00 H new ATOM 1195 N ASP A 76 6.944 7.494 -3.867 1.00 0.00 N ATOM 1196 CA ASP A 76 8.071 7.977 -3.077 1.00 0.00 C ATOM 1197 C ASP A 76 8.480 6.947 -2.029 1.00 0.00 C ATOM 1198 O ASP A 76 9.663 6.785 -1.733 1.00 0.00 O ATOM 1199 CB ASP A 76 7.715 9.300 -2.399 1.00 0.00 C ATOM 1200 CG ASP A 76 8.934 10.165 -2.140 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.419 10.806 -3.096 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.403 10.199 -0.983 1.00 0.00 O ATOM 0 H ASP A 76 6.082 8.025 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 76 8.913 8.138 -3.750 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.011 9.848 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.210 9.097 -1.455 1.00 0.00 H new ATOM 1207 N ASN A 77 7.493 6.255 -1.469 1.00 0.00 N ATOM 1208 CA ASN A 77 7.750 5.242 -0.452 1.00 0.00 C ATOM 1209 C ASN A 77 8.679 4.156 -0.988 1.00 0.00 C ATOM 1210 O ASN A 77 9.505 3.614 -0.254 1.00 0.00 O ATOM 1211 CB ASN A 77 6.436 4.618 0.020 1.00 0.00 C ATOM 1212 CG ASN A 77 5.818 5.377 1.178 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.523 5.992 1.978 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.494 5.338 1.272 1.00 0.00 N ATOM 0 H ASN A 77 6.508 6.377 -1.702 1.00 0.00 H new ATOM 0 HA ASN A 77 8.238 5.727 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.731 4.591 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.615 3.585 0.320 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.022 5.831 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.949 4.815 0.586 1.00 0.00 H new ATOM 1221 N ARG A 78 8.536 3.845 -2.272 1.00 0.00 N ATOM 1222 CA ARG A 78 9.361 2.824 -2.906 1.00 0.00 C ATOM 1223 C ARG A 78 10.833 3.224 -2.886 1.00 0.00 C ATOM 1224 O ARG A 78 11.715 2.377 -2.741 1.00 0.00 O ATOM 1225 CB ARG A 78 8.905 2.592 -4.348 1.00 0.00 C ATOM 1226 CG ARG A 78 7.509 2.000 -4.458 1.00 0.00 C ATOM 1227 CD ARG A 78 7.075 1.861 -5.909 1.00 0.00 C ATOM 1228 NE ARG A 78 7.992 1.021 -6.675 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.775 0.656 -7.934 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.679 1.054 -8.564 1.00 0.00 N ATOM 1231 NH2 ARG A 78 8.657 -0.110 -8.565 1.00 0.00 N ATOM 0 H ARG A 78 7.857 4.285 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 78 9.246 1.899 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.932 3.540 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.613 1.926 -4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.488 1.023 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.801 2.634 -3.924 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.073 1.434 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.019 2.848 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 78 8.845 0.697 -6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.999 1.642 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.515 0.772 -9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.501 -0.418 -8.083 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.490 -0.390 -9.531 1.00 0.00 H new ATOM 1245 N ALA A 79 11.091 4.519 -3.032 1.00 0.00 N ATOM 1246 CA ALA A 79 12.456 5.032 -3.029 1.00 0.00 C ATOM 1247 C ALA A 79 13.119 4.819 -1.672 1.00 0.00 C ATOM 1248 O ALA A 79 14.229 4.294 -1.589 1.00 0.00 O ATOM 1249 CB ALA A 79 12.466 6.508 -3.398 1.00 0.00 C ATOM 0 H ALA A 79 10.373 5.233 -3.154 1.00 0.00 H new ATOM 0 HA ALA A 79 13.028 4.479 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.491 6.878 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.040 6.637 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.874 7.068 -2.674 1.00 0.00 H new ATOM 1255 N ALA A 80 12.431 5.230 -0.612 1.00 0.00 N ATOM 1256 CA ALA A 80 12.953 5.083 0.741 1.00 0.00 C ATOM 1257 C ALA A 80 13.633 3.730 0.923 1.00 0.00 C ATOM 1258 O ALA A 80 14.733 3.645 1.470 1.00 0.00 O ATOM 1259 CB ALA A 80 11.836 5.255 1.760 1.00 0.00 C ATOM 0 H ALA A 80 11.511 5.667 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 80 13.700 5.861 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.241 5.143 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.397 6.247 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.069 4.499 1.591 1.00 0.00 H new ATOM 1265 N LEU A 81 12.972 2.674 0.462 1.00 0.00 N ATOM 1266 CA LEU A 81 13.513 1.324 0.575 1.00 0.00 C ATOM 1267 C LEU A 81 14.812 1.190 -0.212 1.00 0.00 C ATOM 1268 O LEU A 81 15.824 0.727 0.314 1.00 0.00 O ATOM 1269 CB LEU A 81 12.492 0.301 0.073 1.00 0.00 C ATOM 1270 CG LEU A 81 11.070 0.449 0.617 1.00 0.00 C ATOM 1271 CD1 LEU A 81 10.144 -0.570 -0.026 1.00 0.00 C ATOM 1272 CD2 LEU A 81 11.061 0.300 2.132 1.00 0.00 C ATOM 0 H LEU A 81 12.061 2.726 0.007 1.00 0.00 H new ATOM 0 HA LEU A 81 13.725 1.131 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.452 0.361 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.853 -0.696 0.324 1.00 0.00 H new ATOM 0 HG LEU A 81 10.708 1.446 0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.137 -0.449 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.127 -0.417 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.503 -1.576 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.042 0.408 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.443 -0.684 2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.692 1.069 2.577 1.00 0.00 H new ATOM 1284 N ARG A 82 14.777 1.602 -1.476 1.00 0.00 N ATOM 1285 CA ARG A 82 15.953 1.529 -2.335 1.00 0.00 C ATOM 1286 C ARG A 82 17.210 1.940 -1.574 1.00 0.00 C ATOM 1287 O ARG A 82 18.184 1.190 -1.515 1.00 0.00 O ATOM 1288 CB ARG A 82 15.770 2.425 -3.562 1.00 0.00 C ATOM 1289 CG ARG A 82 17.028 2.570 -4.403 1.00 0.00 C ATOM 1290 CD ARG A 82 16.695 2.830 -5.863 1.00 0.00 C ATOM 1291 NE ARG A 82 16.485 1.590 -6.606 1.00 0.00 N ATOM 1292 CZ ARG A 82 15.966 1.544 -7.828 1.00 0.00 C ATOM 1293 NH1 ARG A 82 15.606 2.663 -8.442 1.00 0.00 N ATOM 1294 NH2 ARG A 82 15.806 0.377 -8.439 1.00 0.00 N ATOM 0 H ARG A 82 13.948 1.989 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 82 16.070 0.496 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.973 2.017 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.446 3.413 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.634 3.389 -4.015 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.628 1.664 -4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.798 3.447 -5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.504 3.396 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 82 16.752 0.711 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.727 3.562 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.208 2.624 -9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.082 -0.486 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.407 0.343 -9.377 1.00 0.00 H new ATOM 1308 N ILE A 83 17.179 3.135 -0.994 1.00 0.00 N ATOM 1309 CA ILE A 83 18.315 3.645 -0.236 1.00 0.00 C ATOM 1310 C ILE A 83 18.636 2.741 0.949 1.00 0.00 C ATOM 1311 O ILE A 83 19.799 2.445 1.220 1.00 0.00 O ATOM 1312 CB ILE A 83 18.053 5.073 0.277 1.00 0.00 C ATOM 1313 CG1 ILE A 83 17.659 5.991 -0.881 1.00 0.00 C ATOM 1314 CG2 ILE A 83 19.283 5.612 0.993 1.00 0.00 C ATOM 1315 CD1 ILE A 83 16.169 6.034 -1.139 1.00 0.00 C ATOM 0 H ILE A 83 16.380 3.768 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 83 19.166 3.663 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 83 17.227 5.042 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 83 18.012 7.000 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 83 18.167 5.658 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 83 19.083 6.622 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 83 19.522 4.969 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 83 20.126 5.632 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.963 6.705 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.813 5.033 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.656 6.396 -0.248 1.00 0.00 H new ATOM 1327 N ASN A 84 17.595 2.305 1.652 1.00 0.00 N ATOM 1328 CA ASN A 84 17.766 1.433 2.808 1.00 0.00 C ATOM 1329 C ASN A 84 17.672 -0.035 2.401 1.00 0.00 C ATOM 1330 O ASN A 84 16.581 -0.602 2.328 1.00 0.00 O ATOM 1331 CB ASN A 84 16.711 1.748 3.871 1.00 0.00 C ATOM 1332 CG ASN A 84 16.716 3.209 4.275 1.00 0.00 C ATOM 1333 OD1 ASN A 84 16.703 4.100 3.425 1.00 0.00 O ATOM 1334 ND2 ASN A 84 16.735 3.463 5.578 1.00 0.00 N ATOM 0 H ASN A 84 16.625 2.541 1.441 1.00 0.00 H new ATOM 0 HA ASN A 84 18.757 1.613 3.225 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.725 1.483 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 84 16.890 1.130 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 84 16.739 4.428 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.745 2.694 6.247 1.00 0.00 H new ATOM 1341 N LYS A 85 18.822 -0.645 2.138 1.00 0.00 N ATOM 1342 CA LYS A 85 18.872 -2.047 1.741 1.00 0.00 C ATOM 1343 C LYS A 85 18.282 -2.942 2.826 1.00 0.00 C ATOM 1344 O LYS A 85 18.954 -3.279 3.801 1.00 0.00 O ATOM 1345 CB LYS A 85 20.315 -2.465 1.450 1.00 0.00 C ATOM 1346 CG LYS A 85 20.839 -1.957 0.118 1.00 0.00 C ATOM 1347 CD LYS A 85 22.259 -2.432 -0.141 1.00 0.00 C ATOM 1348 CE LYS A 85 23.280 -1.518 0.519 1.00 0.00 C ATOM 1349 NZ LYS A 85 23.468 -1.846 1.960 1.00 0.00 N ATOM 0 H LYS A 85 19.733 -0.190 2.193 1.00 0.00 H new ATOM 0 HA LYS A 85 18.276 -2.163 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.959 -2.097 2.248 1.00 0.00 H new ATOM 0 HB3 LYS A 85 20.379 -3.553 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 85 20.187 -2.301 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 85 20.811 -0.867 0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.379 -3.447 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.442 -2.468 -1.215 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.234 -1.604 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.956 -0.482 0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 24.469 -1.724 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 22.883 -1.211 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.184 -2.832 2.132 1.00 0.00 H new ATOM 1363 N VAL A 86 17.021 -3.324 2.651 1.00 0.00 N ATOM 1364 CA VAL A 86 16.341 -4.182 3.614 1.00 0.00 C ATOM 1365 C VAL A 86 15.919 -5.500 2.974 1.00 0.00 C ATOM 1366 O VAL A 86 15.962 -5.650 1.753 1.00 0.00 O ATOM 1367 CB VAL A 86 15.097 -3.489 4.202 1.00 0.00 C ATOM 1368 CG1 VAL A 86 15.496 -2.238 4.969 1.00 0.00 C ATOM 1369 CG2 VAL A 86 14.103 -3.155 3.101 1.00 0.00 C ATOM 0 H VAL A 86 16.449 -3.053 1.851 1.00 0.00 H new ATOM 0 HA VAL A 86 17.051 -4.382 4.417 1.00 0.00 H new ATOM 0 HB VAL A 86 14.615 -4.175 4.898 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.605 -1.762 5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.168 -2.509 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 86 16.002 -1.545 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.231 -2.666 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.572 -2.487 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.793 -4.072 2.600 1.00 0.00 H new ATOM 1379 N GLN A 87 15.512 -6.452 3.807 1.00 0.00 N ATOM 1380 CA GLN A 87 15.083 -7.759 3.323 1.00 0.00 C ATOM 1381 C GLN A 87 13.734 -7.662 2.619 1.00 0.00 C ATOM 1382 O GLN A 87 12.685 -7.665 3.264 1.00 0.00 O ATOM 1383 CB GLN A 87 14.998 -8.753 4.482 1.00 0.00 C ATOM 1384 CG GLN A 87 16.302 -8.909 5.247 1.00 0.00 C ATOM 1385 CD GLN A 87 17.312 -9.766 4.510 1.00 0.00 C ATOM 1386 OE1 GLN A 87 17.620 -9.519 3.343 1.00 0.00 O ATOM 1387 NE2 GLN A 87 17.836 -10.781 5.188 1.00 0.00 N ATOM 0 H GLN A 87 15.470 -6.343 4.820 1.00 0.00 H new ATOM 0 HA GLN A 87 15.822 -8.113 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.219 -8.428 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.696 -9.726 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.732 -7.924 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.097 -9.353 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.553 -10.950 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 87 18.522 -11.391 4.743 1.00 0.00 H new ATOM 1396 N MET A 88 13.767 -7.576 1.294 1.00 0.00 N ATOM 1397 CA MET A 88 12.546 -7.480 0.503 1.00 0.00 C ATOM 1398 C MET A 88 12.700 -8.209 -0.828 1.00 0.00 C ATOM 1399 O MET A 88 13.816 -8.458 -1.284 1.00 0.00 O ATOM 1400 CB MET A 88 12.188 -6.013 0.255 1.00 0.00 C ATOM 1401 CG MET A 88 13.130 -5.313 -0.712 1.00 0.00 C ATOM 1402 SD MET A 88 12.716 -3.574 -0.947 1.00 0.00 S ATOM 1403 CE MET A 88 11.295 -3.707 -2.028 1.00 0.00 C ATOM 0 H MET A 88 14.627 -7.571 0.745 1.00 0.00 H new ATOM 0 HA MET A 88 11.741 -7.954 1.065 1.00 0.00 H new ATOM 0 HB2 MET A 88 11.172 -5.956 -0.135 1.00 0.00 H new ATOM 0 HB3 MET A 88 12.194 -5.480 1.206 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.151 -5.392 -0.340 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.101 -5.823 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.322 -2.905 -2.765 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.315 -4.670 -2.539 1.00 0.00 H new ATOM 0 HE3 MET A 88 10.381 -3.628 -1.439 1.00 0.00 H new ATOM 1413 N SER A 89 11.573 -8.550 -1.445 1.00 0.00 N ATOM 1414 CA SER A 89 11.584 -9.255 -2.721 1.00 0.00 C ATOM 1415 C SER A 89 10.549 -8.667 -3.675 1.00 0.00 C ATOM 1416 O SER A 89 9.385 -8.494 -3.317 1.00 0.00 O ATOM 1417 CB SER A 89 11.308 -10.745 -2.507 1.00 0.00 C ATOM 1418 OG SER A 89 12.494 -11.438 -2.159 1.00 0.00 O ATOM 0 H SER A 89 10.641 -8.349 -1.082 1.00 0.00 H new ATOM 0 HA SER A 89 12.572 -9.136 -3.165 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.565 -10.871 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.886 -11.174 -3.416 1.00 0.00 H new ATOM 0 HG SER A 89 12.291 -12.387 -2.026 1.00 0.00 H new ATOM 1424 N ASN A 90 10.984 -8.361 -4.894 1.00 0.00 N ATOM 1425 CA ASN A 90 10.096 -7.791 -5.901 1.00 0.00 C ATOM 1426 C ASN A 90 8.813 -8.607 -6.019 1.00 0.00 C ATOM 1427 O ASN A 90 7.741 -8.158 -5.615 1.00 0.00 O ATOM 1428 CB ASN A 90 10.802 -7.730 -7.257 1.00 0.00 C ATOM 1429 CG ASN A 90 12.076 -6.908 -7.210 1.00 0.00 C ATOM 1430 OD1 ASN A 90 13.167 -7.444 -7.017 1.00 0.00 O ATOM 1431 ND2 ASN A 90 11.941 -5.599 -7.385 1.00 0.00 N ATOM 0 H ASN A 90 11.945 -8.498 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 90 9.835 -6.780 -5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 90 11.038 -8.742 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.125 -7.304 -7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.762 -4.994 -7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.016 -5.198 -7.542 1.00 0.00 H new TER 1438 ASN A 90