USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 2 ASN : amide:sc= 1.95 K(o=3.2,f=-1.7) USER MOD Set 1.2: A 11 THR OG1 : rot -90:sc= 1.26 USER MOD Single : A 1 MET CE :methyl -112:sc= -1.01 (180deg=-2.77!) USER MOD Single : A 1 MET N :NH3+ -105:sc= 2.01 (180deg=-0.574) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.24 F(o=-0.93,f=-0.24) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -41:sc= 1.11 USER MOD Single : A 17 SER OG : rot 9:sc= 0.513 USER MOD Single : A 19 ASN : amide:sc= -1.54 K(o=-1.5,f=-10!) USER MOD Single : A 21 THR OG1 : rot -150:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.0434 (180deg=-0.387) USER MOD Single : A 31 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.37) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -1.02 F(o=-4!,f=-1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 1.15 (180deg=0.813) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 163:sc= -0.151 (180deg=-0.547) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= -0.981 (180deg=-2.42!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 74 HIS : no HD1:sc= -0.243 X(o=-0.24,f=-0.078) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc=-0.00758 X(o=-0.0076,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.333 -11.431 -2.426 1.00 34.34 N ATOM 2 CA MET A 1 -2.463 -10.899 -1.337 1.00 22.05 C ATOM 3 C MET A 1 -3.055 -9.616 -0.720 1.00 31.21 C ATOM 4 O MET A 1 -3.907 -8.960 -1.326 1.00 53.24 O ATOM 5 CB MET A 1 -1.050 -10.594 -1.871 1.00 65.35 C ATOM 6 CG MET A 1 -1.001 -9.401 -2.819 1.00 11.03 C ATOM 7 SD MET A 1 0.675 -8.833 -3.178 1.00 33.21 S ATOM 8 CE MET A 1 1.277 -10.130 -4.252 1.00 71.02 C ATOM 0 H1 MET A 1 -3.846 -12.268 -2.083 1.00 34.34 H new ATOM 0 H2 MET A 1 -4.016 -10.701 -2.713 1.00 34.34 H new ATOM 0 H3 MET A 1 -2.745 -11.695 -3.242 1.00 34.34 H new ATOM 0 HA MET A 1 -2.406 -11.667 -0.566 1.00 22.05 H new ATOM 0 HB2 MET A 1 -0.385 -10.406 -1.028 1.00 65.35 H new ATOM 0 HB3 MET A 1 -0.668 -11.474 -2.388 1.00 65.35 H new ATOM 0 HG2 MET A 1 -1.493 -9.670 -3.754 1.00 11.03 H new ATOM 0 HG3 MET A 1 -1.569 -8.579 -2.385 1.00 11.03 H new ATOM 0 HE1 MET A 1 2.062 -10.689 -3.742 1.00 71.02 H new ATOM 0 HE2 MET A 1 0.457 -10.803 -4.505 1.00 71.02 H new ATOM 0 HE3 MET A 1 1.680 -9.690 -5.164 1.00 71.02 H new ATOM 20 N ASN A 2 -2.586 -9.262 0.475 1.00 45.41 N ATOM 21 CA ASN A 2 -2.967 -8.003 1.136 1.00 52.12 C ATOM 22 C ASN A 2 -1.852 -6.955 0.990 1.00 13.51 C ATOM 23 O ASN A 2 -0.681 -7.258 1.213 1.00 64.23 O ATOM 24 CB ASN A 2 -3.250 -8.243 2.625 1.00 30.15 C ATOM 25 CG ASN A 2 -4.465 -9.119 2.857 1.00 65.21 C ATOM 26 OD1 ASN A 2 -5.578 -8.630 2.984 1.00 25.34 O ATOM 27 ND2 ASN A 2 -4.263 -10.419 2.914 1.00 64.44 N ATOM 0 H ASN A 2 -1.935 -9.832 1.015 1.00 45.41 H new ATOM 0 HA ASN A 2 -3.871 -7.630 0.654 1.00 52.12 H new ATOM 0 HB2 ASN A 2 -2.379 -8.708 3.086 1.00 30.15 H new ATOM 0 HB3 ASN A 2 -3.399 -7.284 3.121 1.00 30.15 H new ATOM 0 HD21 ASN A 2 -5.049 -11.051 3.068 1.00 64.44 H new ATOM 0 HD22 ASN A 2 -3.321 -10.794 2.804 1.00 64.44 H new ATOM 34 N LEU A 3 -2.208 -5.724 0.616 1.00 53.02 N ATOM 35 CA LEU A 3 -1.212 -4.651 0.460 1.00 20.12 C ATOM 36 C LEU A 3 -1.682 -3.353 1.125 1.00 0.15 C ATOM 37 O LEU A 3 -2.879 -3.142 1.320 1.00 71.52 O ATOM 38 CB LEU A 3 -0.923 -4.361 -1.026 1.00 43.12 C ATOM 39 CG LEU A 3 -0.713 -5.588 -1.929 1.00 51.53 C ATOM 40 CD1 LEU A 3 -2.052 -6.119 -2.433 1.00 53.05 C ATOM 41 CD2 LEU A 3 0.214 -5.256 -3.096 1.00 32.43 C ATOM 0 H LEU A 3 -3.168 -5.443 0.416 1.00 53.02 H new ATOM 0 HA LEU A 3 -0.301 -5.002 0.945 1.00 20.12 H new ATOM 0 HB2 LEU A 3 -1.751 -3.777 -1.428 1.00 43.12 H new ATOM 0 HB3 LEU A 3 -0.033 -3.735 -1.086 1.00 43.12 H new ATOM 0 HG LEU A 3 -0.237 -6.369 -1.336 1.00 51.53 H new ATOM 0 HD11 LEU A 3 -1.883 -6.987 -3.070 1.00 53.05 H new ATOM 0 HD12 LEU A 3 -2.672 -6.407 -1.584 1.00 53.05 H new ATOM 0 HD13 LEU A 3 -2.559 -5.342 -3.005 1.00 53.05 H new ATOM 0 HD21 LEU A 3 0.346 -6.141 -3.719 1.00 32.43 H new ATOM 0 HD22 LEU A 3 -0.223 -4.455 -3.692 1.00 32.43 H new ATOM 0 HD23 LEU A 3 1.182 -4.935 -2.712 1.00 32.43 H new ATOM 53 N THR A 4 -0.741 -2.485 1.467 1.00 12.01 N ATOM 54 CA THR A 4 -1.072 -1.142 1.950 1.00 32.34 C ATOM 55 C THR A 4 -0.734 -0.105 0.877 1.00 71.33 C ATOM 56 O THR A 4 0.436 0.182 0.627 1.00 20.14 O ATOM 57 CB THR A 4 -0.320 -0.788 3.255 1.00 53.15 C ATOM 58 OG1 THR A 4 -0.544 -1.796 4.252 1.00 50.43 O ATOM 59 CG2 THR A 4 -0.768 0.567 3.801 1.00 73.44 C ATOM 0 H THR A 4 0.259 -2.682 1.421 1.00 12.01 H new ATOM 0 HA THR A 4 -2.141 -1.130 2.165 1.00 32.34 H new ATOM 0 HB THR A 4 0.743 -0.738 3.018 1.00 53.15 H new ATOM 0 HG1 THR A 4 -0.061 -1.559 5.071 1.00 50.43 H new ATOM 0 HG21 THR A 4 -0.222 0.788 4.718 1.00 73.44 H new ATOM 0 HG22 THR A 4 -0.565 1.342 3.062 1.00 73.44 H new ATOM 0 HG23 THR A 4 -1.837 0.539 4.013 1.00 73.44 H new ATOM 67 N VAL A 5 -1.766 0.424 0.226 1.00 71.14 N ATOM 68 CA VAL A 5 -1.597 1.405 -0.848 1.00 64.30 C ATOM 69 C VAL A 5 -2.286 2.732 -0.500 1.00 25.51 C ATOM 70 O VAL A 5 -3.402 2.741 0.023 1.00 24.41 O ATOM 71 CB VAL A 5 -2.164 0.873 -2.193 1.00 12.11 C ATOM 72 CG1 VAL A 5 -1.400 -0.367 -2.649 1.00 40.24 C ATOM 73 CG2 VAL A 5 -3.660 0.568 -2.082 1.00 63.23 C ATOM 0 H VAL A 5 -2.738 0.188 0.424 1.00 71.14 H new ATOM 0 HA VAL A 5 -0.526 1.576 -0.957 1.00 64.30 H new ATOM 0 HB VAL A 5 -2.033 1.655 -2.941 1.00 12.11 H new ATOM 0 HG11 VAL A 5 -1.814 -0.723 -3.593 1.00 40.24 H new ATOM 0 HG12 VAL A 5 -0.348 -0.116 -2.785 1.00 40.24 H new ATOM 0 HG13 VAL A 5 -1.492 -1.149 -1.895 1.00 40.24 H new ATOM 0 HG21 VAL A 5 -4.028 0.198 -3.039 1.00 63.23 H new ATOM 0 HG22 VAL A 5 -3.821 -0.188 -1.314 1.00 63.23 H new ATOM 0 HG23 VAL A 5 -4.198 1.477 -1.814 1.00 63.23 H new ATOM 83 N ASN A 6 -1.607 3.848 -0.775 1.00 73.02 N ATOM 84 CA ASN A 6 -2.161 5.190 -0.534 1.00 23.01 C ATOM 85 C ASN A 6 -2.519 5.394 0.954 1.00 13.05 C ATOM 86 O ASN A 6 -3.427 6.163 1.284 1.00 14.24 O ATOM 87 CB ASN A 6 -3.407 5.420 -1.410 1.00 72.53 C ATOM 88 CG ASN A 6 -3.143 5.173 -2.887 1.00 31.22 C ATOM 89 OD1 ASN A 6 -2.716 6.197 -3.598 1.00 61.21 O flip ATOM 90 ND2 ASN A 6 -3.326 4.068 -3.389 1.00 33.53 N flip ATOM 0 H ASN A 6 -0.666 3.852 -1.168 1.00 73.02 H new ATOM 0 HA ASN A 6 -1.394 5.917 -0.801 1.00 23.01 H new ATOM 0 HB2 ASN A 6 -4.208 4.762 -1.074 1.00 72.53 H new ATOM 0 HB3 ASN A 6 -3.757 6.443 -1.274 1.00 72.53 H new ATOM 0 HD21 ASN A 6 -3.657 3.294 -2.812 1.00 33.53 H new ATOM 0 HD22 ASN A 6 -3.147 3.923 -4.383 1.00 33.53 H new ATOM 97 N GLY A 7 -1.788 4.727 1.845 1.00 2.54 N ATOM 98 CA GLY A 7 -2.105 4.784 3.269 1.00 75.21 C ATOM 99 C GLY A 7 -3.368 4.006 3.641 1.00 40.31 C ATOM 100 O GLY A 7 -3.980 4.260 4.682 1.00 13.33 O ATOM 0 H GLY A 7 -0.982 4.148 1.610 1.00 2.54 H new ATOM 0 HA2 GLY A 7 -1.263 4.389 3.837 1.00 75.21 H new ATOM 0 HA3 GLY A 7 -2.228 5.826 3.565 1.00 75.21 H new ATOM 104 N LYS A 8 -3.759 3.059 2.785 1.00 65.24 N ATOM 105 CA LYS A 8 -4.953 2.227 3.014 1.00 33.44 C ATOM 106 C LYS A 8 -4.638 0.728 2.872 1.00 21.44 C ATOM 107 O LYS A 8 -3.848 0.330 2.015 1.00 61.22 O ATOM 108 CB LYS A 8 -6.060 2.581 2.008 1.00 34.35 C ATOM 109 CG LYS A 8 -6.643 3.981 2.160 1.00 35.44 C ATOM 110 CD LYS A 8 -7.780 4.206 1.165 1.00 14.30 C ATOM 111 CE LYS A 8 -8.463 5.552 1.362 1.00 21.42 C ATOM 112 NZ LYS A 8 -9.602 5.728 0.421 1.00 34.54 N ATOM 0 H LYS A 8 -3.265 2.845 1.919 1.00 65.24 H new ATOM 0 HA LYS A 8 -5.286 2.429 4.032 1.00 33.44 H new ATOM 0 HB2 LYS A 8 -5.660 2.477 0.999 1.00 34.35 H new ATOM 0 HB3 LYS A 8 -6.867 1.855 2.107 1.00 34.35 H new ATOM 0 HG2 LYS A 8 -7.011 4.118 3.177 1.00 35.44 H new ATOM 0 HG3 LYS A 8 -5.862 4.724 2.001 1.00 35.44 H new ATOM 0 HD2 LYS A 8 -7.388 4.145 0.150 1.00 14.30 H new ATOM 0 HD3 LYS A 8 -8.516 3.409 1.271 1.00 14.30 H new ATOM 0 HE2 LYS A 8 -8.822 5.633 2.388 1.00 21.42 H new ATOM 0 HE3 LYS A 8 -7.740 6.354 1.213 1.00 21.42 H new ATOM 0 HZ1 LYS A 8 -10.045 6.655 0.582 1.00 34.54 H new ATOM 0 HZ2 LYS A 8 -9.255 5.675 -0.558 1.00 34.54 H new ATOM 0 HZ3 LYS A 8 -10.303 4.977 0.580 1.00 34.54 H new ATOM 126 N PRO A 9 -5.257 -0.126 3.707 1.00 31.35 N ATOM 127 CA PRO A 9 -5.170 -1.584 3.544 1.00 71.35 C ATOM 128 C PRO A 9 -6.022 -2.081 2.359 1.00 54.32 C ATOM 129 O PRO A 9 -7.106 -1.553 2.094 1.00 1.33 O ATOM 130 CB PRO A 9 -5.710 -2.118 4.876 1.00 74.23 C ATOM 131 CG PRO A 9 -6.640 -1.055 5.363 1.00 5.32 C ATOM 132 CD PRO A 9 -6.074 0.256 4.877 1.00 31.53 C ATOM 0 HA PRO A 9 -4.158 -1.922 3.322 1.00 71.35 H new ATOM 0 HB2 PRO A 9 -6.229 -3.067 4.741 1.00 74.23 H new ATOM 0 HB3 PRO A 9 -4.904 -2.295 5.588 1.00 74.23 H new ATOM 0 HG2 PRO A 9 -7.647 -1.212 4.976 1.00 5.32 H new ATOM 0 HG3 PRO A 9 -6.711 -1.069 6.451 1.00 5.32 H new ATOM 0 HD2 PRO A 9 -6.864 0.956 4.603 1.00 31.53 H new ATOM 0 HD3 PRO A 9 -5.471 0.741 5.645 1.00 31.53 H new ATOM 140 N SER A 10 -5.531 -3.090 1.643 1.00 45.45 N ATOM 141 CA SER A 10 -6.228 -3.609 0.453 1.00 13.24 C ATOM 142 C SER A 10 -6.027 -5.121 0.302 1.00 14.34 C ATOM 143 O SER A 10 -5.114 -5.697 0.898 1.00 61.21 O ATOM 144 CB SER A 10 -5.722 -2.902 -0.810 1.00 54.22 C ATOM 145 OG SER A 10 -4.350 -3.186 -1.050 1.00 61.11 O ATOM 0 H SER A 10 -4.656 -3.568 1.860 1.00 45.45 H new ATOM 0 HA SER A 10 -7.292 -3.412 0.584 1.00 13.24 H new ATOM 0 HB2 SER A 10 -6.316 -3.218 -1.668 1.00 54.22 H new ATOM 0 HB3 SER A 10 -5.859 -1.826 -0.706 1.00 54.22 H new ATOM 0 HG SER A 10 -3.858 -3.163 -0.203 1.00 61.11 H new ATOM 151 N THR A 11 -6.872 -5.758 -0.505 1.00 42.41 N ATOM 152 CA THR A 11 -6.796 -7.211 -0.714 1.00 15.23 C ATOM 153 C THR A 11 -7.104 -7.587 -2.170 1.00 62.01 C ATOM 154 O THR A 11 -8.253 -7.511 -2.611 1.00 71.23 O ATOM 155 CB THR A 11 -7.782 -7.971 0.213 1.00 4.21 C ATOM 156 OG1 THR A 11 -7.583 -7.584 1.584 1.00 35.32 O ATOM 157 CG2 THR A 11 -7.608 -9.483 0.084 1.00 4.51 C ATOM 0 H THR A 11 -7.618 -5.297 -1.026 1.00 42.41 H new ATOM 0 HA THR A 11 -5.774 -7.503 -0.473 1.00 15.23 H new ATOM 0 HB THR A 11 -8.793 -7.708 -0.096 1.00 4.21 H new ATOM 0 HG1 THR A 11 -6.915 -8.171 1.996 1.00 35.32 H new ATOM 0 HG21 THR A 11 -8.312 -9.988 0.745 1.00 4.51 H new ATOM 0 HG22 THR A 11 -7.797 -9.784 -0.946 1.00 4.51 H new ATOM 0 HG23 THR A 11 -6.590 -9.757 0.361 1.00 4.51 H new ATOM 165 N VAL A 12 -6.075 -7.988 -2.917 1.00 1.20 N ATOM 166 CA VAL A 12 -6.255 -8.430 -4.308 1.00 52.13 C ATOM 167 C VAL A 12 -6.182 -9.965 -4.419 1.00 5.32 C ATOM 168 O VAL A 12 -5.236 -10.593 -3.935 1.00 24.51 O ATOM 169 CB VAL A 12 -5.211 -7.783 -5.261 1.00 20.20 C ATOM 170 CG1 VAL A 12 -5.343 -6.262 -5.257 1.00 44.30 C ATOM 171 CG2 VAL A 12 -3.787 -8.201 -4.891 1.00 4.14 C ATOM 0 H VAL A 12 -5.110 -8.017 -2.588 1.00 1.20 H new ATOM 0 HA VAL A 12 -7.247 -8.100 -4.616 1.00 52.13 H new ATOM 0 HB VAL A 12 -5.414 -8.144 -6.269 1.00 20.20 H new ATOM 0 HG11 VAL A 12 -4.603 -5.831 -5.931 1.00 44.30 H new ATOM 0 HG12 VAL A 12 -6.343 -5.983 -5.590 1.00 44.30 H new ATOM 0 HG13 VAL A 12 -5.178 -5.885 -4.248 1.00 44.30 H new ATOM 0 HG21 VAL A 12 -3.081 -7.732 -5.576 1.00 4.14 H new ATOM 0 HG22 VAL A 12 -3.568 -7.884 -3.871 1.00 4.14 H new ATOM 0 HG23 VAL A 12 -3.696 -9.285 -4.962 1.00 4.14 H new ATOM 181 N ASP A 13 -7.190 -10.558 -5.054 1.00 12.34 N ATOM 182 CA ASP A 13 -7.283 -12.017 -5.184 1.00 73.44 C ATOM 183 C ASP A 13 -6.351 -12.555 -6.291 1.00 4.53 C ATOM 184 O ASP A 13 -5.962 -11.825 -7.206 1.00 52.50 O ATOM 185 CB ASP A 13 -8.740 -12.418 -5.468 1.00 64.33 C ATOM 186 CG ASP A 13 -8.930 -13.924 -5.535 1.00 52.30 C ATOM 187 OD1 ASP A 13 -8.723 -14.597 -4.504 1.00 55.05 O ATOM 188 OD2 ASP A 13 -9.274 -14.441 -6.617 1.00 53.12 O ATOM 0 H ASP A 13 -7.960 -10.051 -5.490 1.00 12.34 H new ATOM 0 HA ASP A 13 -6.959 -12.462 -4.243 1.00 73.44 H new ATOM 0 HB2 ASP A 13 -9.384 -12.009 -4.689 1.00 64.33 H new ATOM 0 HB3 ASP A 13 -9.058 -11.973 -6.411 1.00 64.33 H new ATOM 193 N GLY A 14 -5.995 -13.837 -6.196 1.00 4.22 N ATOM 194 CA GLY A 14 -5.127 -14.462 -7.188 1.00 52.25 C ATOM 195 C GLY A 14 -3.641 -14.204 -6.942 1.00 42.21 C ATOM 196 O GLY A 14 -2.875 -15.133 -6.672 1.00 63.41 O ATOM 0 H GLY A 14 -6.294 -14.458 -5.445 1.00 4.22 H new ATOM 0 HA2 GLY A 14 -5.306 -15.537 -7.191 1.00 52.25 H new ATOM 0 HA3 GLY A 14 -5.394 -14.092 -8.178 1.00 52.25 H new ATOM 200 N ALA A 15 -3.237 -12.939 -7.035 1.00 1.21 N ATOM 201 CA ALA A 15 -1.834 -12.553 -6.862 1.00 0.22 C ATOM 202 C ALA A 15 -1.332 -12.814 -5.432 1.00 73.41 C ATOM 203 O ALA A 15 -1.703 -12.108 -4.492 1.00 41.55 O ATOM 204 CB ALA A 15 -1.651 -11.085 -7.231 1.00 71.04 C ATOM 0 H ALA A 15 -3.864 -12.158 -7.230 1.00 1.21 H new ATOM 0 HA ALA A 15 -1.236 -13.173 -7.529 1.00 0.22 H new ATOM 0 HB1 ALA A 15 -0.606 -10.805 -7.100 1.00 71.04 H new ATOM 0 HB2 ALA A 15 -1.940 -10.932 -8.271 1.00 71.04 H new ATOM 0 HB3 ALA A 15 -2.276 -10.467 -6.586 1.00 71.04 H new ATOM 210 N GLU A 16 -0.496 -13.842 -5.275 1.00 21.01 N ATOM 211 CA GLU A 16 0.117 -14.163 -3.978 1.00 20.15 C ATOM 212 C GLU A 16 1.493 -13.495 -3.822 1.00 61.43 C ATOM 213 O GLU A 16 1.809 -12.944 -2.766 1.00 74.52 O ATOM 214 CB GLU A 16 0.267 -15.680 -3.811 1.00 45.15 C ATOM 215 CG GLU A 16 -1.053 -16.431 -3.705 1.00 63.24 C ATOM 216 CD GLU A 16 -0.850 -17.919 -3.465 1.00 24.11 C ATOM 217 OE1 GLU A 16 -0.415 -18.294 -2.351 1.00 3.51 O ATOM 218 OE2 GLU A 16 -1.126 -18.719 -4.383 1.00 31.24 O ATOM 0 H GLU A 16 -0.225 -14.471 -6.031 1.00 21.01 H new ATOM 0 HA GLU A 16 -0.546 -13.776 -3.204 1.00 20.15 H new ATOM 0 HB2 GLU A 16 0.829 -16.073 -4.658 1.00 45.15 H new ATOM 0 HB3 GLU A 16 0.858 -15.879 -2.917 1.00 45.15 H new ATOM 0 HG2 GLU A 16 -1.644 -16.011 -2.891 1.00 63.24 H new ATOM 0 HG3 GLU A 16 -1.625 -16.287 -4.621 1.00 63.24 H new ATOM 225 N SER A 17 2.315 -13.573 -4.869 1.00 3.24 N ATOM 226 CA SER A 17 3.645 -12.926 -4.882 1.00 31.02 C ATOM 227 C SER A 17 4.091 -12.601 -6.317 1.00 5.14 C ATOM 228 O SER A 17 4.062 -13.461 -7.197 1.00 35.54 O ATOM 229 CB SER A 17 4.703 -13.823 -4.209 1.00 62.23 C ATOM 230 OG SER A 17 4.500 -13.928 -2.802 1.00 32.24 O ATOM 0 H SER A 17 2.090 -14.078 -5.726 1.00 3.24 H new ATOM 0 HA SER A 17 3.556 -11.996 -4.320 1.00 31.02 H new ATOM 0 HB2 SER A 17 4.671 -14.817 -4.655 1.00 62.23 H new ATOM 0 HB3 SER A 17 5.697 -13.419 -4.402 1.00 62.23 H new ATOM 0 HG SER A 17 3.641 -13.520 -2.564 1.00 32.24 H new ATOM 236 N LEU A 18 4.508 -11.357 -6.549 1.00 31.35 N ATOM 237 CA LEU A 18 4.952 -10.925 -7.883 1.00 44.33 C ATOM 238 C LEU A 18 5.863 -9.691 -7.818 1.00 42.11 C ATOM 239 O LEU A 18 5.779 -8.891 -6.889 1.00 34.22 O ATOM 240 CB LEU A 18 3.736 -10.659 -8.800 1.00 5.22 C ATOM 241 CG LEU A 18 2.542 -9.905 -8.171 1.00 63.01 C ATOM 242 CD1 LEU A 18 2.892 -8.454 -7.843 1.00 40.54 C ATOM 243 CD2 LEU A 18 1.327 -9.965 -9.098 1.00 71.22 C ATOM 0 H LEU A 18 4.549 -10.629 -5.836 1.00 31.35 H new ATOM 0 HA LEU A 18 5.542 -11.738 -8.307 1.00 44.33 H new ATOM 0 HB2 LEU A 18 4.080 -10.091 -9.664 1.00 5.22 H new ATOM 0 HB3 LEU A 18 3.375 -11.618 -9.172 1.00 5.22 H new ATOM 0 HG LEU A 18 2.299 -10.402 -7.232 1.00 63.01 H new ATOM 0 HD11 LEU A 18 2.025 -7.961 -7.403 1.00 40.54 H new ATOM 0 HD12 LEU A 18 3.721 -8.431 -7.135 1.00 40.54 H new ATOM 0 HD13 LEU A 18 3.180 -7.934 -8.756 1.00 40.54 H new ATOM 0 HD21 LEU A 18 0.494 -9.430 -8.642 1.00 71.22 H new ATOM 0 HD22 LEU A 18 1.575 -9.503 -10.054 1.00 71.22 H new ATOM 0 HD23 LEU A 18 1.044 -11.005 -9.260 1.00 71.22 H new ATOM 255 N ASN A 19 6.742 -9.555 -8.805 1.00 33.52 N ATOM 256 CA ASN A 19 7.613 -8.378 -8.915 1.00 23.14 C ATOM 257 C ASN A 19 6.794 -7.085 -9.084 1.00 5.14 C ATOM 258 O ASN A 19 5.663 -7.113 -9.581 1.00 55.12 O ATOM 259 CB ASN A 19 8.587 -8.542 -10.094 1.00 10.43 C ATOM 260 CG ASN A 19 7.885 -8.869 -11.400 1.00 22.24 C ATOM 261 OD1 ASN A 19 6.846 -9.517 -11.416 1.00 73.44 O ATOM 262 ND2 ASN A 19 8.445 -8.433 -12.509 1.00 40.33 N ATOM 0 H ASN A 19 6.874 -10.244 -9.545 1.00 33.52 H new ATOM 0 HA ASN A 19 8.182 -8.299 -7.988 1.00 23.14 H new ATOM 0 HB2 ASN A 19 9.160 -7.623 -10.216 1.00 10.43 H new ATOM 0 HB3 ASN A 19 9.300 -9.334 -9.862 1.00 10.43 H new ATOM 0 HD21 ASN A 19 8.013 -8.633 -13.411 1.00 40.33 H new ATOM 0 HD22 ASN A 19 9.311 -7.895 -12.466 1.00 40.33 H new ATOM 269 N VAL A 20 7.376 -5.954 -8.683 1.00 43.03 N ATOM 270 CA VAL A 20 6.695 -4.651 -8.766 1.00 33.52 C ATOM 271 C VAL A 20 6.172 -4.377 -10.187 1.00 45.52 C ATOM 272 O VAL A 20 5.127 -3.752 -10.366 1.00 12.52 O ATOM 273 CB VAL A 20 7.633 -3.494 -8.331 1.00 41.32 C ATOM 274 CG1 VAL A 20 6.899 -2.153 -8.344 1.00 2.35 C ATOM 275 CG2 VAL A 20 8.231 -3.772 -6.953 1.00 10.15 C ATOM 0 H VAL A 20 8.319 -5.909 -8.296 1.00 43.03 H new ATOM 0 HA VAL A 20 5.847 -4.696 -8.082 1.00 33.52 H new ATOM 0 HB VAL A 20 8.448 -3.435 -9.052 1.00 41.32 H new ATOM 0 HG11 VAL A 20 7.582 -1.362 -8.035 1.00 2.35 H new ATOM 0 HG12 VAL A 20 6.536 -1.946 -9.351 1.00 2.35 H new ATOM 0 HG13 VAL A 20 6.055 -2.194 -7.656 1.00 2.35 H new ATOM 0 HG21 VAL A 20 8.885 -2.948 -6.667 1.00 10.15 H new ATOM 0 HG22 VAL A 20 7.429 -3.869 -6.221 1.00 10.15 H new ATOM 0 HG23 VAL A 20 8.806 -4.697 -6.986 1.00 10.15 H new ATOM 285 N THR A 21 6.903 -4.860 -11.190 1.00 52.34 N ATOM 286 CA THR A 21 6.481 -4.739 -12.594 1.00 0.54 C ATOM 287 C THR A 21 5.062 -5.297 -12.808 1.00 32.03 C ATOM 288 O THR A 21 4.204 -4.635 -13.396 1.00 44.44 O ATOM 289 CB THR A 21 7.457 -5.476 -13.541 1.00 73.15 C ATOM 290 OG1 THR A 21 8.803 -5.067 -13.264 1.00 70.42 O ATOM 291 CG2 THR A 21 7.131 -5.196 -15.006 1.00 32.32 C ATOM 0 H THR A 21 7.793 -5.341 -11.061 1.00 52.34 H new ATOM 0 HA THR A 21 6.485 -3.675 -12.829 1.00 0.54 H new ATOM 0 HB THR A 21 7.350 -6.547 -13.366 1.00 73.15 H new ATOM 0 HG1 THR A 21 9.337 -5.120 -14.084 1.00 70.42 H new ATOM 0 HG21 THR A 21 7.836 -5.729 -15.644 1.00 32.32 H new ATOM 0 HG22 THR A 21 6.118 -5.533 -15.224 1.00 32.32 H new ATOM 0 HG23 THR A 21 7.206 -4.126 -15.197 1.00 32.32 H new ATOM 299 N GLU A 22 4.813 -6.513 -12.314 1.00 52.33 N ATOM 300 CA GLU A 22 3.482 -7.129 -12.412 1.00 44.43 C ATOM 301 C GLU A 22 2.461 -6.404 -11.524 1.00 71.51 C ATOM 302 O GLU A 22 1.295 -6.278 -11.888 1.00 65.44 O ATOM 303 CB GLU A 22 3.543 -8.619 -12.046 1.00 10.33 C ATOM 304 CG GLU A 22 4.279 -9.473 -13.073 1.00 32.40 C ATOM 305 CD GLU A 22 3.595 -9.485 -14.433 1.00 61.34 C ATOM 306 OE1 GLU A 22 2.646 -10.281 -14.620 1.00 71.13 O ATOM 307 OE2 GLU A 22 4.010 -8.709 -15.320 1.00 71.43 O ATOM 0 H GLU A 22 5.510 -7.090 -11.844 1.00 52.33 H new ATOM 0 HA GLU A 22 3.154 -7.036 -13.447 1.00 44.43 H new ATOM 0 HB2 GLU A 22 4.034 -8.727 -11.079 1.00 10.33 H new ATOM 0 HB3 GLU A 22 2.527 -8.998 -11.932 1.00 10.33 H new ATOM 0 HG2 GLU A 22 5.296 -9.099 -13.187 1.00 32.40 H new ATOM 0 HG3 GLU A 22 4.355 -10.495 -12.701 1.00 32.40 H new ATOM 314 N LEU A 23 2.903 -5.931 -10.358 1.00 4.10 N ATOM 315 CA LEU A 23 2.051 -5.107 -9.482 1.00 75.31 C ATOM 316 C LEU A 23 1.489 -3.892 -10.246 1.00 20.30 C ATOM 317 O LEU A 23 0.282 -3.637 -10.238 1.00 72.43 O ATOM 318 CB LEU A 23 2.844 -4.630 -8.255 1.00 53.21 C ATOM 319 CG LEU A 23 2.063 -3.743 -7.264 1.00 42.35 C ATOM 320 CD1 LEU A 23 0.894 -4.514 -6.647 1.00 0.54 C ATOM 321 CD2 LEU A 23 2.991 -3.194 -6.180 1.00 74.54 C ATOM 0 H LEU A 23 3.841 -6.100 -9.994 1.00 4.10 H new ATOM 0 HA LEU A 23 1.217 -5.724 -9.148 1.00 75.31 H new ATOM 0 HB2 LEU A 23 3.213 -5.505 -7.720 1.00 53.21 H new ATOM 0 HB3 LEU A 23 3.717 -4.077 -8.601 1.00 53.21 H new ATOM 0 HG LEU A 23 1.653 -2.897 -7.816 1.00 42.35 H new ATOM 0 HD11 LEU A 23 0.358 -3.868 -5.952 1.00 0.54 H new ATOM 0 HD12 LEU A 23 0.216 -4.839 -7.436 1.00 0.54 H new ATOM 0 HD13 LEU A 23 1.274 -5.385 -6.113 1.00 0.54 H new ATOM 0 HD21 LEU A 23 2.419 -2.571 -5.492 1.00 74.54 H new ATOM 0 HD22 LEU A 23 3.440 -4.022 -5.632 1.00 74.54 H new ATOM 0 HD23 LEU A 23 3.777 -2.597 -6.642 1.00 74.54 H new ATOM 333 N LEU A 24 2.376 -3.154 -10.911 1.00 23.02 N ATOM 334 CA LEU A 24 1.978 -2.011 -11.743 1.00 64.33 C ATOM 335 C LEU A 24 0.987 -2.447 -12.835 1.00 72.25 C ATOM 336 O LEU A 24 -0.003 -1.763 -13.109 1.00 31.24 O ATOM 337 CB LEU A 24 3.219 -1.375 -12.387 1.00 30.33 C ATOM 338 CG LEU A 24 4.289 -0.872 -11.400 1.00 41.10 C ATOM 339 CD1 LEU A 24 5.529 -0.379 -12.146 1.00 32.23 C ATOM 340 CD2 LEU A 24 3.723 0.227 -10.497 1.00 50.41 C ATOM 0 H LEU A 24 3.381 -3.326 -10.892 1.00 23.02 H new ATOM 0 HA LEU A 24 1.486 -1.277 -11.105 1.00 64.33 H new ATOM 0 HB2 LEU A 24 3.678 -2.106 -13.053 1.00 30.33 H new ATOM 0 HB3 LEU A 24 2.898 -0.538 -13.006 1.00 30.33 H new ATOM 0 HG LEU A 24 4.586 -1.709 -10.768 1.00 41.10 H new ATOM 0 HD11 LEU A 24 6.270 -0.029 -11.428 1.00 32.23 H new ATOM 0 HD12 LEU A 24 5.949 -1.196 -12.733 1.00 32.23 H new ATOM 0 HD13 LEU A 24 5.252 0.440 -12.810 1.00 32.23 H new ATOM 0 HD21 LEU A 24 4.497 0.567 -9.808 1.00 50.41 H new ATOM 0 HD22 LEU A 24 3.389 1.065 -11.109 1.00 50.41 H new ATOM 0 HD23 LEU A 24 2.880 -0.167 -9.930 1.00 50.41 H new ATOM 352 N SER A 25 1.260 -3.602 -13.438 1.00 22.50 N ATOM 353 CA SER A 25 0.391 -4.173 -14.478 1.00 71.40 C ATOM 354 C SER A 25 -0.960 -4.631 -13.899 1.00 54.45 C ATOM 355 O SER A 25 -1.979 -4.622 -14.593 1.00 22.31 O ATOM 356 CB SER A 25 1.094 -5.355 -15.157 1.00 21.20 C ATOM 357 OG SER A 25 0.299 -5.915 -16.193 1.00 43.13 O ATOM 0 H SER A 25 2.081 -4.168 -13.226 1.00 22.50 H new ATOM 0 HA SER A 25 0.194 -3.393 -15.213 1.00 71.40 H new ATOM 0 HB2 SER A 25 2.047 -5.024 -15.569 1.00 21.20 H new ATOM 0 HB3 SER A 25 1.317 -6.121 -14.414 1.00 21.20 H new ATOM 0 HG SER A 25 0.778 -6.664 -16.604 1.00 43.13 H new ATOM 363 N ALA A 26 -0.964 -5.031 -12.625 1.00 74.43 N ATOM 364 CA ALA A 26 -2.194 -5.449 -11.939 1.00 23.15 C ATOM 365 C ALA A 26 -3.144 -4.261 -11.730 1.00 74.02 C ATOM 366 O ALA A 26 -4.354 -4.373 -11.930 1.00 3.20 O ATOM 367 CB ALA A 26 -1.857 -6.100 -10.604 1.00 2.04 C ATOM 0 H ALA A 26 -0.127 -5.075 -12.044 1.00 74.43 H new ATOM 0 HA ALA A 26 -2.702 -6.178 -12.570 1.00 23.15 H new ATOM 0 HB1 ALA A 26 -2.777 -6.405 -10.106 1.00 2.04 H new ATOM 0 HB2 ALA A 26 -1.229 -6.975 -10.774 1.00 2.04 H new ATOM 0 HB3 ALA A 26 -1.323 -5.387 -9.976 1.00 2.04 H new ATOM 373 N LEU A 27 -2.587 -3.126 -11.306 1.00 5.32 N ATOM 374 CA LEU A 27 -3.352 -1.875 -11.215 1.00 23.25 C ATOM 375 C LEU A 27 -3.561 -1.269 -12.612 1.00 25.13 C ATOM 376 O LEU A 27 -4.466 -0.463 -12.826 1.00 71.45 O ATOM 377 CB LEU A 27 -2.642 -0.859 -10.299 1.00 54.41 C ATOM 378 CG LEU A 27 -2.700 -1.159 -8.786 1.00 10.02 C ATOM 379 CD1 LEU A 27 -1.986 -2.464 -8.437 1.00 52.23 C ATOM 380 CD2 LEU A 27 -2.118 0.006 -7.986 1.00 43.22 C ATOM 0 H LEU A 27 -1.611 -3.044 -11.020 1.00 5.32 H new ATOM 0 HA LEU A 27 -4.325 -2.107 -10.782 1.00 23.25 H new ATOM 0 HB2 LEU A 27 -1.595 -0.799 -10.598 1.00 54.41 H new ATOM 0 HB3 LEU A 27 -3.080 0.124 -10.472 1.00 54.41 H new ATOM 0 HG LEU A 27 -3.749 -1.280 -8.516 1.00 10.02 H new ATOM 0 HD11 LEU A 27 -2.050 -2.638 -7.363 1.00 52.23 H new ATOM 0 HD12 LEU A 27 -2.459 -3.291 -8.967 1.00 52.23 H new ATOM 0 HD13 LEU A 27 -0.939 -2.396 -8.732 1.00 52.23 H new ATOM 0 HD21 LEU A 27 -2.167 -0.223 -6.921 1.00 43.22 H new ATOM 0 HD22 LEU A 27 -1.079 0.163 -8.276 1.00 43.22 H new ATOM 0 HD23 LEU A 27 -2.692 0.910 -8.189 1.00 43.22 H new ATOM 392 N LYS A 28 -2.695 -1.671 -13.545 1.00 53.45 N ATOM 393 CA LYS A 28 -2.771 -1.263 -14.954 1.00 70.01 C ATOM 394 C LYS A 28 -2.526 0.248 -15.120 1.00 2.35 C ATOM 395 O LYS A 28 -3.122 0.902 -15.980 1.00 61.05 O ATOM 396 CB LYS A 28 -4.126 -1.677 -15.562 1.00 73.21 C ATOM 397 CG LYS A 28 -4.102 -1.806 -17.086 1.00 14.41 C ATOM 398 CD LYS A 28 -5.428 -2.327 -17.635 1.00 11.14 C ATOM 399 CE LYS A 28 -5.344 -2.622 -19.128 1.00 43.32 C ATOM 400 NZ LYS A 28 -4.339 -3.680 -19.430 1.00 61.41 N ATOM 0 H LYS A 28 -1.913 -2.295 -13.344 1.00 53.45 H new ATOM 0 HA LYS A 28 -1.979 -1.779 -15.496 1.00 70.01 H new ATOM 0 HB2 LYS A 28 -4.432 -2.630 -15.130 1.00 73.21 H new ATOM 0 HB3 LYS A 28 -4.880 -0.942 -15.280 1.00 73.21 H new ATOM 0 HG2 LYS A 28 -3.882 -0.835 -17.529 1.00 14.41 H new ATOM 0 HG3 LYS A 28 -3.297 -2.480 -17.381 1.00 14.41 H new ATOM 0 HD2 LYS A 28 -5.712 -3.234 -17.101 1.00 11.14 H new ATOM 0 HD3 LYS A 28 -6.211 -1.591 -17.453 1.00 11.14 H new ATOM 0 HE2 LYS A 28 -6.322 -2.936 -19.491 1.00 43.32 H new ATOM 0 HE3 LYS A 28 -5.083 -1.710 -19.664 1.00 43.32 H new ATOM 0 HZ1 LYS A 28 -4.517 -4.067 -20.379 1.00 61.41 H new ATOM 0 HZ2 LYS A 28 -3.383 -3.271 -19.396 1.00 61.41 H new ATOM 0 HZ3 LYS A 28 -4.415 -4.442 -18.726 1.00 61.41 H new ATOM 414 N VAL A 29 -1.613 0.788 -14.310 1.00 32.41 N ATOM 415 CA VAL A 29 -1.251 2.208 -14.384 1.00 61.21 C ATOM 416 C VAL A 29 -0.553 2.542 -15.718 1.00 61.03 C ATOM 417 O VAL A 29 0.395 1.868 -16.127 1.00 22.01 O ATOM 418 CB VAL A 29 -0.345 2.627 -13.191 1.00 10.22 C ATOM 419 CG1 VAL A 29 0.941 1.801 -13.158 1.00 13.12 C ATOM 420 CG2 VAL A 29 -0.033 4.127 -13.238 1.00 70.14 C ATOM 0 H VAL A 29 -1.110 0.264 -13.594 1.00 32.41 H new ATOM 0 HA VAL A 29 -2.180 2.776 -14.328 1.00 61.21 H new ATOM 0 HB VAL A 29 -0.893 2.427 -12.271 1.00 10.22 H new ATOM 0 HG11 VAL A 29 1.554 2.116 -12.314 1.00 13.12 H new ATOM 0 HG12 VAL A 29 0.693 0.745 -13.052 1.00 13.12 H new ATOM 0 HG13 VAL A 29 1.494 1.952 -14.085 1.00 13.12 H new ATOM 0 HG21 VAL A 29 0.602 4.393 -12.393 1.00 70.14 H new ATOM 0 HG22 VAL A 29 0.484 4.362 -14.168 1.00 70.14 H new ATOM 0 HG23 VAL A 29 -0.963 4.694 -13.186 1.00 70.14 H new ATOM 430 N ALA A 30 -1.031 3.586 -16.394 1.00 32.13 N ATOM 431 CA ALA A 30 -0.490 3.979 -17.701 1.00 43.21 C ATOM 432 C ALA A 30 0.992 4.383 -17.621 1.00 64.52 C ATOM 433 O ALA A 30 1.770 4.118 -18.541 1.00 24.15 O ATOM 434 CB ALA A 30 -1.318 5.117 -18.290 1.00 60.31 C ATOM 0 H ALA A 30 -1.792 4.177 -16.061 1.00 32.13 H new ATOM 0 HA ALA A 30 -0.551 3.109 -18.354 1.00 43.21 H new ATOM 0 HB1 ALA A 30 -0.908 5.401 -19.259 1.00 60.31 H new ATOM 0 HB2 ALA A 30 -2.350 4.790 -18.414 1.00 60.31 H new ATOM 0 HB3 ALA A 30 -1.288 5.975 -17.618 1.00 60.31 H new ATOM 440 N GLN A 31 1.376 5.036 -16.528 1.00 2.41 N ATOM 441 CA GLN A 31 2.767 5.457 -16.326 1.00 43.11 C ATOM 442 C GLN A 31 3.506 4.511 -15.367 1.00 53.02 C ATOM 443 O GLN A 31 3.502 4.711 -14.155 1.00 71.35 O ATOM 444 CB GLN A 31 2.818 6.898 -15.787 1.00 52.15 C ATOM 445 CG GLN A 31 2.290 7.950 -16.761 1.00 24.32 C ATOM 446 CD GLN A 31 3.162 8.106 -17.997 1.00 45.22 C ATOM 447 OE1 GLN A 31 4.093 8.902 -18.021 1.00 24.21 O ATOM 448 NE2 GLN A 31 2.866 7.353 -19.038 1.00 32.34 N ATOM 0 H GLN A 31 0.746 5.287 -15.766 1.00 2.41 H new ATOM 0 HA GLN A 31 3.269 5.418 -17.293 1.00 43.11 H new ATOM 0 HB2 GLN A 31 2.239 6.950 -14.865 1.00 52.15 H new ATOM 0 HB3 GLN A 31 3.849 7.142 -15.530 1.00 52.15 H new ATOM 0 HG2 GLN A 31 1.280 7.679 -17.068 1.00 24.32 H new ATOM 0 HG3 GLN A 31 2.221 8.909 -16.248 1.00 24.32 H new ATOM 0 HE21 GLN A 31 2.085 6.699 -18.989 1.00 32.34 H new ATOM 0 HE22 GLN A 31 3.418 7.424 -19.893 1.00 32.34 H new ATOM 457 N ALA A 32 4.125 3.467 -15.919 1.00 64.00 N ATOM 458 CA ALA A 32 4.933 2.532 -15.124 1.00 62.35 C ATOM 459 C ALA A 32 6.405 2.966 -15.110 1.00 12.32 C ATOM 460 O ALA A 32 7.051 3.000 -14.065 1.00 40.31 O ATOM 461 CB ALA A 32 4.795 1.116 -15.676 1.00 42.50 C ATOM 0 H ALA A 32 4.084 3.245 -16.914 1.00 64.00 H new ATOM 0 HA ALA A 32 4.567 2.542 -14.097 1.00 62.35 H new ATOM 0 HB1 ALA A 32 5.398 0.432 -15.079 1.00 42.50 H new ATOM 0 HB2 ALA A 32 3.750 0.809 -15.634 1.00 42.50 H new ATOM 0 HB3 ALA A 32 5.138 1.094 -16.710 1.00 42.50 H new ATOM 467 N GLU A 33 6.915 3.313 -16.289 1.00 44.23 N ATOM 468 CA GLU A 33 8.280 3.840 -16.446 1.00 72.13 C ATOM 469 C GLU A 33 8.518 5.083 -15.561 1.00 75.53 C ATOM 470 O GLU A 33 9.649 5.385 -15.176 1.00 21.24 O ATOM 471 CB GLU A 33 8.502 4.202 -17.927 1.00 64.41 C ATOM 472 CG GLU A 33 9.874 4.796 -18.250 1.00 14.14 C ATOM 473 CD GLU A 33 11.000 3.775 -18.207 1.00 62.44 C ATOM 474 OE1 GLU A 33 11.213 3.078 -19.220 1.00 13.34 O ATOM 475 OE2 GLU A 33 11.690 3.683 -17.177 1.00 13.44 O ATOM 0 H GLU A 33 6.399 3.239 -17.166 1.00 44.23 H new ATOM 0 HA GLU A 33 8.988 3.074 -16.130 1.00 72.13 H new ATOM 0 HB2 GLU A 33 8.361 3.305 -18.530 1.00 64.41 H new ATOM 0 HB3 GLU A 33 7.734 4.914 -18.230 1.00 64.41 H new ATOM 0 HG2 GLU A 33 9.842 5.248 -19.241 1.00 14.14 H new ATOM 0 HG3 GLU A 33 10.091 5.595 -17.542 1.00 14.14 H new ATOM 482 N TYR A 34 7.437 5.797 -15.236 1.00 2.21 N ATOM 483 CA TYR A 34 7.531 7.069 -14.497 1.00 50.04 C ATOM 484 C TYR A 34 6.723 7.038 -13.184 1.00 45.10 C ATOM 485 O TYR A 34 6.263 8.079 -12.707 1.00 51.43 O ATOM 486 CB TYR A 34 7.023 8.215 -15.386 1.00 64.14 C ATOM 487 CG TYR A 34 7.605 8.205 -16.787 1.00 32.25 C ATOM 488 CD1 TYR A 34 8.833 8.795 -17.066 1.00 11.14 C ATOM 489 CD2 TYR A 34 6.926 7.582 -17.827 1.00 5.34 C ATOM 490 CE1 TYR A 34 9.363 8.768 -18.343 1.00 23.43 C ATOM 491 CE2 TYR A 34 7.445 7.554 -19.102 1.00 54.33 C ATOM 492 CZ TYR A 34 8.665 8.144 -19.357 1.00 72.25 C ATOM 493 OH TYR A 34 9.188 8.106 -20.628 1.00 54.42 O ATOM 0 H TYR A 34 6.484 5.520 -15.471 1.00 2.21 H new ATOM 0 HA TYR A 34 8.578 7.226 -14.237 1.00 50.04 H new ATOM 0 HB2 TYR A 34 5.937 8.157 -15.453 1.00 64.14 H new ATOM 0 HB3 TYR A 34 7.262 9.166 -14.910 1.00 64.14 H new ATOM 0 HD1 TYR A 34 9.381 9.282 -16.273 1.00 11.14 H new ATOM 0 HD2 TYR A 34 5.974 7.111 -17.632 1.00 5.34 H new ATOM 0 HE1 TYR A 34 10.317 9.232 -18.546 1.00 23.43 H new ATOM 0 HE2 TYR A 34 6.899 7.072 -19.899 1.00 54.33 H new ATOM 0 HH TYR A 34 8.571 7.629 -21.221 1.00 54.42 H new ATOM 503 N VAL A 35 6.557 5.854 -12.594 1.00 71.22 N ATOM 504 CA VAL A 35 5.801 5.724 -11.339 1.00 2.22 C ATOM 505 C VAL A 35 6.704 5.888 -10.103 1.00 21.11 C ATOM 506 O VAL A 35 7.838 5.404 -10.069 1.00 21.03 O ATOM 507 CB VAL A 35 5.061 4.363 -11.251 1.00 64.50 C ATOM 508 CG1 VAL A 35 6.043 3.197 -11.157 1.00 65.10 C ATOM 509 CG2 VAL A 35 4.081 4.354 -10.079 1.00 21.20 C ATOM 0 H VAL A 35 6.930 4.977 -12.957 1.00 71.22 H new ATOM 0 HA VAL A 35 5.066 6.528 -11.346 1.00 2.22 H new ATOM 0 HB VAL A 35 4.491 4.235 -12.171 1.00 64.50 H new ATOM 0 HG11 VAL A 35 5.490 2.260 -11.097 1.00 65.10 H new ATOM 0 HG12 VAL A 35 6.681 3.186 -12.041 1.00 65.10 H new ATOM 0 HG13 VAL A 35 6.660 3.312 -10.266 1.00 65.10 H new ATOM 0 HG21 VAL A 35 3.573 3.390 -10.036 1.00 21.20 H new ATOM 0 HG22 VAL A 35 4.625 4.519 -9.149 1.00 21.20 H new ATOM 0 HG23 VAL A 35 3.345 5.146 -10.214 1.00 21.20 H new ATOM 519 N THR A 36 6.199 6.588 -9.092 1.00 44.32 N ATOM 520 CA THR A 36 6.914 6.737 -7.821 1.00 71.12 C ATOM 521 C THR A 36 6.391 5.729 -6.791 1.00 11.32 C ATOM 522 O THR A 36 5.336 5.935 -6.189 1.00 21.02 O ATOM 523 CB THR A 36 6.770 8.169 -7.241 1.00 14.34 C ATOM 524 OG1 THR A 36 7.130 9.145 -8.231 1.00 73.54 O ATOM 525 CG2 THR A 36 7.649 8.352 -6.005 1.00 13.13 C ATOM 0 H THR A 36 5.297 7.063 -9.124 1.00 44.32 H new ATOM 0 HA THR A 36 7.968 6.550 -8.025 1.00 71.12 H new ATOM 0 HB THR A 36 5.728 8.309 -6.953 1.00 14.34 H new ATOM 0 HG1 THR A 36 7.033 10.044 -7.854 1.00 73.54 H new ATOM 0 HG21 THR A 36 7.528 9.364 -5.619 1.00 13.13 H new ATOM 0 HG22 THR A 36 7.354 7.634 -5.239 1.00 13.13 H new ATOM 0 HG23 THR A 36 8.693 8.188 -6.273 1.00 13.13 H new ATOM 533 N VAL A 37 7.115 4.625 -6.607 1.00 53.22 N ATOM 534 CA VAL A 37 6.726 3.592 -5.637 1.00 32.24 C ATOM 535 C VAL A 37 7.798 3.400 -4.557 1.00 4.14 C ATOM 536 O VAL A 37 8.994 3.363 -4.853 1.00 73.24 O ATOM 537 CB VAL A 37 6.452 2.231 -6.333 1.00 61.41 C ATOM 538 CG1 VAL A 37 5.257 2.336 -7.278 1.00 11.24 C ATOM 539 CG2 VAL A 37 7.691 1.737 -7.081 1.00 12.14 C ATOM 0 H VAL A 37 7.975 4.420 -7.115 1.00 53.22 H new ATOM 0 HA VAL A 37 5.807 3.940 -5.165 1.00 32.24 H new ATOM 0 HB VAL A 37 6.213 1.501 -5.559 1.00 61.41 H new ATOM 0 HG11 VAL A 37 5.084 1.371 -7.754 1.00 11.24 H new ATOM 0 HG12 VAL A 37 4.371 2.626 -6.713 1.00 11.24 H new ATOM 0 HG13 VAL A 37 5.462 3.086 -8.042 1.00 11.24 H new ATOM 0 HG21 VAL A 37 7.471 0.782 -7.559 1.00 12.14 H new ATOM 0 HG22 VAL A 37 7.973 2.467 -7.840 1.00 12.14 H new ATOM 0 HG23 VAL A 37 8.514 1.609 -6.378 1.00 12.14 H new ATOM 549 N GLU A 38 7.368 3.284 -3.301 1.00 22.51 N ATOM 550 CA GLU A 38 8.294 3.046 -2.191 1.00 40.33 C ATOM 551 C GLU A 38 7.938 1.760 -1.431 1.00 11.24 C ATOM 552 O GLU A 38 6.781 1.528 -1.078 1.00 71.43 O ATOM 553 CB GLU A 38 8.317 4.248 -1.231 1.00 61.42 C ATOM 554 CG GLU A 38 6.981 4.555 -0.568 1.00 30.03 C ATOM 555 CD GLU A 38 7.055 5.772 0.340 1.00 1.41 C ATOM 556 OE1 GLU A 38 7.446 5.624 1.515 1.00 24.42 O ATOM 557 OE2 GLU A 38 6.737 6.887 -0.121 1.00 2.43 O ATOM 0 H GLU A 38 6.388 3.350 -3.026 1.00 22.51 H new ATOM 0 HA GLU A 38 9.290 2.921 -2.615 1.00 40.33 H new ATOM 0 HB2 GLU A 38 9.059 4.062 -0.454 1.00 61.42 H new ATOM 0 HB3 GLU A 38 8.646 5.130 -1.781 1.00 61.42 H new ATOM 0 HG2 GLU A 38 6.226 4.723 -1.336 1.00 30.03 H new ATOM 0 HG3 GLU A 38 6.658 3.690 0.012 1.00 30.03 H new ATOM 564 N LEU A 39 8.945 0.923 -1.187 1.00 43.45 N ATOM 565 CA LEU A 39 8.744 -0.350 -0.493 1.00 52.42 C ATOM 566 C LEU A 39 8.865 -0.157 1.026 1.00 62.42 C ATOM 567 O LEU A 39 9.966 -0.038 1.561 1.00 12.31 O ATOM 568 CB LEU A 39 9.764 -1.388 -1.007 1.00 12.34 C ATOM 569 CG LEU A 39 9.455 -2.876 -0.712 1.00 13.13 C ATOM 570 CD1 LEU A 39 9.727 -3.235 0.748 1.00 72.15 C ATOM 571 CD2 LEU A 39 8.012 -3.215 -1.094 1.00 62.02 C ATOM 0 H LEU A 39 9.911 1.103 -1.460 1.00 43.45 H new ATOM 0 HA LEU A 39 7.740 -0.720 -0.701 1.00 52.42 H new ATOM 0 HB2 LEU A 39 9.856 -1.268 -2.086 1.00 12.34 H new ATOM 0 HB3 LEU A 39 10.737 -1.151 -0.576 1.00 12.34 H new ATOM 0 HG LEU A 39 10.127 -3.476 -1.325 1.00 13.13 H new ATOM 0 HD11 LEU A 39 9.497 -4.288 0.913 1.00 72.15 H new ATOM 0 HD12 LEU A 39 10.777 -3.052 0.978 1.00 72.15 H new ATOM 0 HD13 LEU A 39 9.101 -2.621 1.396 1.00 72.15 H new ATOM 0 HD21 LEU A 39 7.816 -4.265 -0.879 1.00 62.02 H new ATOM 0 HD22 LEU A 39 7.327 -2.592 -0.518 1.00 62.02 H new ATOM 0 HD23 LEU A 39 7.864 -3.029 -2.158 1.00 62.02 H new ATOM 583 N ASN A 40 7.714 -0.066 1.699 1.00 44.43 N ATOM 584 CA ASN A 40 7.649 0.046 3.170 1.00 14.14 C ATOM 585 C ASN A 40 8.293 1.346 3.710 1.00 71.52 C ATOM 586 O ASN A 40 8.327 1.559 4.925 1.00 42.15 O ATOM 587 CB ASN A 40 8.300 -1.176 3.852 1.00 23.45 C ATOM 588 CG ASN A 40 7.562 -2.489 3.609 1.00 50.53 C ATOM 589 OD1 ASN A 40 7.041 -2.683 2.415 1.00 72.25 O flip ATOM 590 ND2 ASN A 40 7.481 -3.337 4.491 1.00 63.51 N flip ATOM 0 H ASN A 40 6.800 -0.067 1.246 1.00 44.43 H new ATOM 0 HA ASN A 40 6.588 0.079 3.417 1.00 14.14 H new ATOM 0 HB2 ASN A 40 9.325 -1.276 3.494 1.00 23.45 H new ATOM 0 HB3 ASN A 40 8.353 -0.994 4.925 1.00 23.45 H new ATOM 0 HD21 ASN A 40 7.894 -3.161 5.407 1.00 63.51 H new ATOM 0 HD22 ASN A 40 7.001 -4.218 4.309 1.00 63.51 H new ATOM 597 N GLY A 41 8.795 2.210 2.823 1.00 62.34 N ATOM 598 CA GLY A 41 9.395 3.469 3.272 1.00 25.42 C ATOM 599 C GLY A 41 10.523 3.997 2.383 1.00 22.32 C ATOM 600 O GLY A 41 11.013 5.109 2.598 1.00 74.43 O ATOM 0 H GLY A 41 8.799 2.066 1.813 1.00 62.34 H new ATOM 0 HA2 GLY A 41 8.613 4.227 3.331 1.00 25.42 H new ATOM 0 HA3 GLY A 41 9.782 3.331 4.282 1.00 25.42 H new ATOM 604 N GLU A 42 10.948 3.218 1.386 1.00 44.51 N ATOM 605 CA GLU A 42 12.044 3.642 0.496 1.00 41.12 C ATOM 606 C GLU A 42 11.685 3.467 -0.986 1.00 31.24 C ATOM 607 O GLU A 42 11.254 2.394 -1.410 1.00 63.34 O ATOM 608 CB GLU A 42 13.324 2.864 0.821 1.00 74.04 C ATOM 609 CG GLU A 42 14.533 3.302 -0.007 1.00 35.03 C ATOM 610 CD GLU A 42 15.817 2.606 0.410 1.00 41.11 C ATOM 611 OE1 GLU A 42 16.379 2.970 1.465 1.00 30.05 O ATOM 612 OE2 GLU A 42 16.266 1.689 -0.310 1.00 35.32 O ATOM 0 H GLU A 42 10.559 2.300 1.172 1.00 44.51 H new ATOM 0 HA GLU A 42 12.210 4.705 0.671 1.00 41.12 H new ATOM 0 HB2 GLU A 42 13.555 2.987 1.879 1.00 74.04 H new ATOM 0 HB3 GLU A 42 13.146 1.802 0.655 1.00 74.04 H new ATOM 0 HG2 GLU A 42 14.340 3.097 -1.060 1.00 35.03 H new ATOM 0 HG3 GLU A 42 14.662 4.380 0.089 1.00 35.03 H new ATOM 619 N VAL A 43 11.870 4.531 -1.768 1.00 0.03 N ATOM 620 CA VAL A 43 11.546 4.522 -3.200 1.00 32.15 C ATOM 621 C VAL A 43 12.454 3.564 -4.000 1.00 20.03 C ATOM 622 O VAL A 43 13.662 3.474 -3.754 1.00 75.04 O ATOM 623 CB VAL A 43 11.637 5.952 -3.802 1.00 42.34 C ATOM 624 CG1 VAL A 43 13.049 6.519 -3.660 1.00 50.32 C ATOM 625 CG2 VAL A 43 11.183 5.963 -5.262 1.00 11.33 C ATOM 0 H VAL A 43 12.246 5.418 -1.433 1.00 0.03 H new ATOM 0 HA VAL A 43 10.521 4.161 -3.282 1.00 32.15 H new ATOM 0 HB VAL A 43 10.962 6.596 -3.238 1.00 42.34 H new ATOM 0 HG11 VAL A 43 13.084 7.520 -4.089 1.00 50.32 H new ATOM 0 HG12 VAL A 43 13.317 6.567 -2.605 1.00 50.32 H new ATOM 0 HG13 VAL A 43 13.754 5.874 -4.184 1.00 50.32 H new ATOM 0 HG21 VAL A 43 11.257 6.976 -5.658 1.00 11.33 H new ATOM 0 HG22 VAL A 43 11.819 5.298 -5.846 1.00 11.33 H new ATOM 0 HG23 VAL A 43 10.149 5.624 -5.324 1.00 11.33 H new ATOM 635 N LEU A 44 11.858 2.848 -4.952 1.00 3.54 N ATOM 636 CA LEU A 44 12.597 1.904 -5.804 1.00 13.20 C ATOM 637 C LEU A 44 13.074 2.572 -7.097 1.00 2.05 C ATOM 638 O LEU A 44 12.407 3.459 -7.636 1.00 32.21 O ATOM 639 CB LEU A 44 11.724 0.691 -6.172 1.00 4.23 C ATOM 640 CG LEU A 44 11.331 -0.244 -5.014 1.00 51.43 C ATOM 641 CD1 LEU A 44 10.381 0.450 -4.044 1.00 23.20 C ATOM 642 CD2 LEU A 44 10.706 -1.528 -5.555 1.00 75.41 C ATOM 0 H LEU A 44 10.860 2.901 -5.157 1.00 3.54 H new ATOM 0 HA LEU A 44 13.462 1.573 -5.229 1.00 13.20 H new ATOM 0 HB2 LEU A 44 10.811 1.057 -6.641 1.00 4.23 H new ATOM 0 HB3 LEU A 44 12.254 0.103 -6.921 1.00 4.23 H new ATOM 0 HG LEU A 44 12.237 -0.502 -4.466 1.00 51.43 H new ATOM 0 HD11 LEU A 44 10.121 -0.235 -3.237 1.00 23.20 H new ATOM 0 HD12 LEU A 44 10.866 1.333 -3.628 1.00 23.20 H new ATOM 0 HD13 LEU A 44 9.476 0.749 -4.572 1.00 23.20 H new ATOM 0 HD21 LEU A 44 10.434 -2.178 -4.724 1.00 75.41 H new ATOM 0 HD22 LEU A 44 9.814 -1.284 -6.132 1.00 75.41 H new ATOM 0 HD23 LEU A 44 11.424 -2.040 -6.196 1.00 75.41 H new ATOM 654 N GLU A 45 14.228 2.133 -7.591 1.00 23.20 N ATOM 655 CA GLU A 45 14.736 2.592 -8.885 1.00 63.13 C ATOM 656 C GLU A 45 13.965 1.914 -10.034 1.00 24.03 C ATOM 657 O GLU A 45 13.497 0.782 -9.897 1.00 51.34 O ATOM 658 CB GLU A 45 16.247 2.307 -8.998 1.00 3.34 C ATOM 659 CG GLU A 45 16.884 2.787 -10.301 1.00 44.25 C ATOM 660 CD GLU A 45 16.707 4.283 -10.536 1.00 24.43 C ATOM 661 OE1 GLU A 45 17.472 5.081 -9.960 1.00 31.34 O ATOM 662 OE2 GLU A 45 15.797 4.668 -11.301 1.00 4.30 O ATOM 0 H GLU A 45 14.831 1.460 -7.117 1.00 23.20 H new ATOM 0 HA GLU A 45 14.584 3.669 -8.960 1.00 63.13 H new ATOM 0 HB2 GLU A 45 16.758 2.783 -8.161 1.00 3.34 H new ATOM 0 HB3 GLU A 45 16.410 1.234 -8.902 1.00 3.34 H new ATOM 0 HG2 GLU A 45 17.948 2.551 -10.287 1.00 44.25 H new ATOM 0 HG3 GLU A 45 16.447 2.240 -11.136 1.00 44.25 H new ATOM 669 N ARG A 46 13.842 2.612 -11.157 1.00 10.31 N ATOM 670 CA ARG A 46 13.078 2.131 -12.319 1.00 35.42 C ATOM 671 C ARG A 46 13.433 0.679 -12.702 1.00 21.32 C ATOM 672 O ARG A 46 12.564 -0.192 -12.747 1.00 4.12 O ATOM 673 CB ARG A 46 13.324 3.072 -13.501 1.00 34.54 C ATOM 674 CG ARG A 46 12.855 4.503 -13.239 1.00 4.41 C ATOM 675 CD ARG A 46 13.541 5.502 -14.162 1.00 5.14 C ATOM 676 NE ARG A 46 13.410 5.132 -15.565 1.00 61.33 N ATOM 677 CZ ARG A 46 14.312 5.368 -16.481 1.00 3.21 C ATOM 678 NH1 ARG A 46 15.441 5.928 -16.172 1.00 23.24 N ATOM 679 NH2 ARG A 46 14.094 5.002 -17.699 1.00 11.24 N ATOM 0 H ARG A 46 14.267 3.529 -11.295 1.00 10.31 H new ATOM 0 HA ARG A 46 12.021 2.130 -12.051 1.00 35.42 H new ATOM 0 HB2 ARG A 46 14.389 3.082 -13.733 1.00 34.54 H new ATOM 0 HB3 ARG A 46 12.810 2.683 -14.380 1.00 34.54 H new ATOM 0 HG2 ARG A 46 11.775 4.563 -13.377 1.00 4.41 H new ATOM 0 HG3 ARG A 46 13.059 4.768 -12.201 1.00 4.41 H new ATOM 0 HD2 ARG A 46 13.112 6.492 -14.007 1.00 5.14 H new ATOM 0 HD3 ARG A 46 14.598 5.568 -13.902 1.00 5.14 H new ATOM 0 HE ARG A 46 12.555 4.656 -15.852 1.00 61.33 H new ATOM 0 HH11 ARG A 46 15.633 6.189 -15.205 1.00 23.24 H new ATOM 0 HH12 ARG A 46 16.137 6.107 -16.896 1.00 23.24 H new ATOM 0 HH21 ARG A 46 13.222 4.532 -17.942 1.00 11.24 H new ATOM 0 HH22 ARG A 46 14.794 5.183 -18.419 1.00 11.24 H new ATOM 693 N GLU A 47 14.714 0.411 -12.948 1.00 42.45 N ATOM 694 CA GLU A 47 15.155 -0.935 -13.348 1.00 43.00 C ATOM 695 C GLU A 47 15.330 -1.874 -12.128 1.00 72.14 C ATOM 696 O GLU A 47 16.064 -2.865 -12.181 1.00 32.14 O ATOM 697 CB GLU A 47 16.460 -0.828 -14.160 1.00 0.51 C ATOM 698 CG GLU A 47 16.828 -2.096 -14.931 1.00 72.55 C ATOM 699 CD GLU A 47 18.020 -1.900 -15.855 1.00 61.42 C ATOM 700 OE1 GLU A 47 17.815 -1.516 -17.025 1.00 15.34 O ATOM 701 OE2 GLU A 47 19.166 -2.127 -15.416 1.00 11.20 O ATOM 0 H GLU A 47 15.464 1.099 -12.880 1.00 42.45 H new ATOM 0 HA GLU A 47 14.380 -1.379 -13.973 1.00 43.00 H new ATOM 0 HB2 GLU A 47 16.368 -0.002 -14.865 1.00 0.51 H new ATOM 0 HB3 GLU A 47 17.276 -0.579 -13.482 1.00 0.51 H new ATOM 0 HG2 GLU A 47 17.051 -2.894 -14.223 1.00 72.55 H new ATOM 0 HG3 GLU A 47 15.969 -2.421 -15.518 1.00 72.55 H new ATOM 708 N ALA A 48 14.635 -1.572 -11.027 1.00 51.33 N ATOM 709 CA ALA A 48 14.664 -2.420 -9.826 1.00 65.50 C ATOM 710 C ALA A 48 13.283 -3.030 -9.522 1.00 31.30 C ATOM 711 O ALA A 48 13.116 -3.761 -8.538 1.00 63.54 O ATOM 712 CB ALA A 48 15.169 -1.615 -8.630 1.00 43.31 C ATOM 0 H ALA A 48 14.044 -0.745 -10.940 1.00 51.33 H new ATOM 0 HA ALA A 48 15.348 -3.247 -10.017 1.00 65.50 H new ATOM 0 HB1 ALA A 48 15.187 -2.251 -7.745 1.00 43.31 H new ATOM 0 HB2 ALA A 48 16.175 -1.250 -8.836 1.00 43.31 H new ATOM 0 HB3 ALA A 48 14.505 -0.768 -8.455 1.00 43.31 H new ATOM 718 N PHE A 49 12.299 -2.748 -10.382 1.00 20.41 N ATOM 719 CA PHE A 49 10.925 -3.233 -10.179 1.00 11.22 C ATOM 720 C PHE A 49 10.833 -4.769 -10.252 1.00 50.50 C ATOM 721 O PHE A 49 9.976 -5.383 -9.612 1.00 3.53 O ATOM 722 CB PHE A 49 9.973 -2.605 -11.209 1.00 5.01 C ATOM 723 CG PHE A 49 9.846 -1.100 -11.101 1.00 30.34 C ATOM 724 CD1 PHE A 49 10.041 -0.448 -9.887 1.00 14.34 C ATOM 725 CD2 PHE A 49 9.526 -0.339 -12.217 1.00 10.44 C ATOM 726 CE1 PHE A 49 9.923 0.927 -9.794 1.00 32.35 C ATOM 727 CE2 PHE A 49 9.407 1.035 -12.127 1.00 62.03 C ATOM 728 CZ PHE A 49 9.606 1.668 -10.914 1.00 21.13 C ATOM 0 H PHE A 49 12.425 -2.188 -11.225 1.00 20.41 H new ATOM 0 HA PHE A 49 10.626 -2.930 -9.176 1.00 11.22 H new ATOM 0 HB2 PHE A 49 10.321 -2.858 -12.210 1.00 5.01 H new ATOM 0 HB3 PHE A 49 8.985 -3.051 -11.093 1.00 5.01 H new ATOM 0 HD1 PHE A 49 10.288 -1.023 -9.007 1.00 14.34 H new ATOM 0 HD2 PHE A 49 9.368 -0.827 -13.168 1.00 10.44 H new ATOM 0 HE1 PHE A 49 10.079 1.420 -8.846 1.00 32.35 H new ATOM 0 HE2 PHE A 49 9.159 1.614 -13.004 1.00 62.03 H new ATOM 0 HZ PHE A 49 9.513 2.742 -10.843 1.00 21.13 H new ATOM 738 N ASP A 50 11.708 -5.385 -11.043 1.00 54.14 N ATOM 739 CA ASP A 50 11.755 -6.848 -11.147 1.00 60.13 C ATOM 740 C ASP A 50 12.578 -7.454 -10.004 1.00 45.45 C ATOM 741 O ASP A 50 12.296 -8.559 -9.539 1.00 51.45 O ATOM 742 CB ASP A 50 12.342 -7.261 -12.497 1.00 52.43 C ATOM 743 CG ASP A 50 11.511 -6.748 -13.655 1.00 54.14 C ATOM 744 OD1 ASP A 50 10.530 -7.424 -14.031 1.00 53.31 O ATOM 745 OD2 ASP A 50 11.816 -5.661 -14.184 1.00 61.15 O ATOM 0 H ASP A 50 12.394 -4.899 -11.621 1.00 54.14 H new ATOM 0 HA ASP A 50 10.736 -7.228 -11.071 1.00 60.13 H new ATOM 0 HB2 ASP A 50 13.359 -6.879 -12.583 1.00 52.43 H new ATOM 0 HB3 ASP A 50 12.404 -8.348 -12.548 1.00 52.43 H new ATOM 750 N ALA A 51 13.596 -6.719 -9.562 1.00 1.02 N ATOM 751 CA ALA A 51 14.457 -7.151 -8.456 1.00 74.41 C ATOM 752 C ALA A 51 13.666 -7.349 -7.150 1.00 53.24 C ATOM 753 O ALA A 51 13.904 -8.300 -6.404 1.00 34.32 O ATOM 754 CB ALA A 51 15.578 -6.140 -8.245 1.00 30.31 C ATOM 0 H ALA A 51 13.849 -5.812 -9.955 1.00 1.02 H new ATOM 0 HA ALA A 51 14.883 -8.117 -8.727 1.00 74.41 H new ATOM 0 HB1 ALA A 51 16.213 -6.468 -7.422 1.00 30.31 H new ATOM 0 HB2 ALA A 51 16.174 -6.062 -9.154 1.00 30.31 H new ATOM 0 HB3 ALA A 51 15.150 -5.166 -8.007 1.00 30.31 H new ATOM 760 N THR A 52 12.721 -6.447 -6.881 1.00 62.31 N ATOM 761 CA THR A 52 11.902 -6.520 -5.659 1.00 11.24 C ATOM 762 C THR A 52 10.560 -7.223 -5.915 1.00 52.25 C ATOM 763 O THR A 52 9.751 -6.771 -6.731 1.00 74.22 O ATOM 764 CB THR A 52 11.627 -5.110 -5.080 1.00 61.14 C ATOM 765 OG1 THR A 52 12.867 -4.450 -4.782 1.00 52.22 O ATOM 766 CG2 THR A 52 10.772 -5.186 -3.814 1.00 73.02 C ATOM 0 H THR A 52 12.500 -5.657 -7.488 1.00 62.31 H new ATOM 0 HA THR A 52 12.476 -7.102 -4.938 1.00 11.24 H new ATOM 0 HB THR A 52 11.079 -4.541 -5.831 1.00 61.14 H new ATOM 0 HG1 THR A 52 12.684 -3.559 -4.418 1.00 52.22 H new ATOM 0 HG21 THR A 52 10.597 -4.180 -3.432 1.00 73.02 H new ATOM 0 HG22 THR A 52 9.817 -5.657 -4.048 1.00 73.02 H new ATOM 0 HG23 THR A 52 11.292 -5.775 -3.059 1.00 73.02 H new ATOM 774 N THR A 53 10.324 -8.326 -5.208 1.00 11.51 N ATOM 775 CA THR A 53 9.070 -9.080 -5.334 1.00 43.10 C ATOM 776 C THR A 53 8.059 -8.684 -4.245 1.00 64.23 C ATOM 777 O THR A 53 8.301 -8.884 -3.052 1.00 11.11 O ATOM 778 CB THR A 53 9.315 -10.609 -5.267 1.00 3.14 C ATOM 779 OG1 THR A 53 10.150 -11.026 -6.360 1.00 22.01 O ATOM 780 CG2 THR A 53 8.002 -11.390 -5.307 1.00 51.21 C ATOM 0 H THR A 53 10.984 -8.722 -4.539 1.00 11.51 H new ATOM 0 HA THR A 53 8.656 -8.829 -6.311 1.00 43.10 H new ATOM 0 HB THR A 53 9.813 -10.820 -4.321 1.00 3.14 H new ATOM 0 HG1 THR A 53 10.300 -11.993 -6.307 1.00 22.01 H new ATOM 0 HG21 THR A 53 8.213 -12.458 -5.258 1.00 51.21 H new ATOM 0 HG22 THR A 53 7.382 -11.103 -4.458 1.00 51.21 H new ATOM 0 HG23 THR A 53 7.474 -11.166 -6.234 1.00 51.21 H new ATOM 788 N VAL A 54 6.933 -8.121 -4.672 1.00 71.15 N ATOM 789 CA VAL A 54 5.845 -7.740 -3.763 1.00 14.33 C ATOM 790 C VAL A 54 5.069 -8.978 -3.278 1.00 2.21 C ATOM 791 O VAL A 54 4.835 -9.920 -4.040 1.00 75.13 O ATOM 792 CB VAL A 54 4.866 -6.758 -4.455 1.00 71.41 C ATOM 793 CG1 VAL A 54 3.765 -6.309 -3.496 1.00 62.41 C ATOM 794 CG2 VAL A 54 5.621 -5.553 -5.017 1.00 1.14 C ATOM 0 H VAL A 54 6.744 -7.915 -5.653 1.00 71.15 H new ATOM 0 HA VAL A 54 6.297 -7.247 -2.903 1.00 14.33 H new ATOM 0 HB VAL A 54 4.391 -7.284 -5.284 1.00 71.41 H new ATOM 0 HG11 VAL A 54 3.094 -5.621 -4.009 1.00 62.41 H new ATOM 0 HG12 VAL A 54 3.203 -7.178 -3.155 1.00 62.41 H new ATOM 0 HG13 VAL A 54 4.212 -5.807 -2.638 1.00 62.41 H new ATOM 0 HG21 VAL A 54 4.917 -4.875 -5.499 1.00 1.14 H new ATOM 0 HG22 VAL A 54 6.130 -5.032 -4.206 1.00 1.14 H new ATOM 0 HG23 VAL A 54 6.356 -5.892 -5.747 1.00 1.14 H new ATOM 804 N LYS A 55 4.663 -8.962 -2.011 1.00 74.25 N ATOM 805 CA LYS A 55 4.003 -10.113 -1.384 1.00 43.20 C ATOM 806 C LYS A 55 2.892 -9.671 -0.416 1.00 3.24 C ATOM 807 O LYS A 55 2.580 -8.486 -0.296 1.00 14.44 O ATOM 808 CB LYS A 55 5.052 -10.952 -0.636 1.00 54.45 C ATOM 809 CG LYS A 55 5.934 -10.110 0.276 1.00 43.50 C ATOM 810 CD LYS A 55 6.899 -10.938 1.112 1.00 0.33 C ATOM 811 CE LYS A 55 7.827 -10.043 1.931 1.00 34.33 C ATOM 812 NZ LYS A 55 7.072 -9.038 2.730 1.00 41.04 N ATOM 0 H LYS A 55 4.779 -8.160 -1.391 1.00 74.25 H new ATOM 0 HA LYS A 55 3.537 -10.711 -2.167 1.00 43.20 H new ATOM 0 HB2 LYS A 55 4.547 -11.715 -0.043 1.00 54.45 H new ATOM 0 HB3 LYS A 55 5.678 -11.474 -1.360 1.00 54.45 H new ATOM 0 HG2 LYS A 55 6.502 -9.404 -0.330 1.00 43.50 H new ATOM 0 HG3 LYS A 55 5.301 -9.522 0.940 1.00 43.50 H new ATOM 0 HD2 LYS A 55 6.338 -11.592 1.779 1.00 0.33 H new ATOM 0 HD3 LYS A 55 7.491 -11.580 0.460 1.00 0.33 H new ATOM 0 HE2 LYS A 55 8.428 -10.659 2.599 1.00 34.33 H new ATOM 0 HE3 LYS A 55 8.518 -9.530 1.263 1.00 34.33 H new ATOM 0 HZ1 LYS A 55 7.711 -8.591 3.418 1.00 41.04 H new ATOM 0 HZ2 LYS A 55 6.683 -8.311 2.096 1.00 41.04 H new ATOM 0 HZ3 LYS A 55 6.294 -9.509 3.235 1.00 41.04 H new ATOM 826 N ASP A 56 2.297 -10.645 0.263 1.00 30.31 N ATOM 827 CA ASP A 56 1.228 -10.389 1.227 1.00 71.11 C ATOM 828 C ASP A 56 1.738 -9.623 2.464 1.00 62.41 C ATOM 829 O ASP A 56 2.414 -10.190 3.324 1.00 52.02 O ATOM 830 CB ASP A 56 0.599 -11.720 1.653 1.00 45.40 C ATOM 831 CG ASP A 56 -0.622 -11.533 2.532 1.00 22.04 C ATOM 832 OD1 ASP A 56 -1.738 -11.433 1.985 1.00 14.10 O ATOM 833 OD2 ASP A 56 -0.477 -11.485 3.768 1.00 44.13 O ATOM 0 H ASP A 56 2.539 -11.631 0.163 1.00 30.31 H new ATOM 0 HA ASP A 56 0.480 -9.761 0.744 1.00 71.11 H new ATOM 0 HB2 ASP A 56 0.319 -12.286 0.765 1.00 45.40 H new ATOM 0 HB3 ASP A 56 1.340 -12.313 2.189 1.00 45.40 H new ATOM 838 N GLY A 57 1.429 -8.329 2.532 1.00 41.44 N ATOM 839 CA GLY A 57 1.751 -7.535 3.716 1.00 44.13 C ATOM 840 C GLY A 57 2.794 -6.449 3.465 1.00 21.25 C ATOM 841 O GLY A 57 3.576 -6.113 4.360 1.00 13.35 O ATOM 0 H GLY A 57 0.960 -7.812 1.788 1.00 41.44 H new ATOM 0 HA2 GLY A 57 0.839 -7.070 4.089 1.00 44.13 H new ATOM 0 HA3 GLY A 57 2.114 -8.200 4.500 1.00 44.13 H new ATOM 845 N ASP A 58 2.808 -5.893 2.257 1.00 12.24 N ATOM 846 CA ASP A 58 3.747 -4.819 1.913 1.00 10.24 C ATOM 847 C ASP A 58 3.040 -3.475 1.694 1.00 42.33 C ATOM 848 O ASP A 58 1.974 -3.404 1.077 1.00 24.23 O ATOM 849 CB ASP A 58 4.565 -5.196 0.676 1.00 70.44 C ATOM 850 CG ASP A 58 5.785 -6.017 1.038 1.00 42.34 C ATOM 851 OD1 ASP A 58 5.672 -7.252 1.122 1.00 71.40 O ATOM 852 OD2 ASP A 58 6.858 -5.423 1.262 1.00 25.34 O ATOM 0 H ASP A 58 2.183 -6.165 1.498 1.00 12.24 H new ATOM 0 HA ASP A 58 4.418 -4.698 2.763 1.00 10.24 H new ATOM 0 HB2 ASP A 58 3.939 -5.760 -0.016 1.00 70.44 H new ATOM 0 HB3 ASP A 58 4.877 -4.290 0.157 1.00 70.44 H new ATOM 857 N ALA A 59 3.648 -2.413 2.215 1.00 43.44 N ATOM 858 CA ALA A 59 3.135 -1.056 2.038 1.00 62.04 C ATOM 859 C ALA A 59 3.819 -0.345 0.861 1.00 24.12 C ATOM 860 O ALA A 59 4.975 0.068 0.962 1.00 4.24 O ATOM 861 CB ALA A 59 3.323 -0.256 3.323 1.00 1.14 C ATOM 0 H ALA A 59 4.504 -2.466 2.768 1.00 43.44 H new ATOM 0 HA ALA A 59 2.071 -1.124 1.810 1.00 62.04 H new ATOM 0 HB1 ALA A 59 2.938 0.754 3.182 1.00 1.14 H new ATOM 0 HB2 ALA A 59 2.782 -0.741 4.136 1.00 1.14 H new ATOM 0 HB3 ALA A 59 4.384 -0.209 3.570 1.00 1.14 H new ATOM 867 N VAL A 60 3.106 -0.227 -0.256 1.00 53.13 N ATOM 868 CA VAL A 60 3.603 0.517 -1.418 1.00 23.45 C ATOM 869 C VAL A 60 2.818 1.828 -1.591 1.00 15.34 C ATOM 870 O VAL A 60 1.708 1.851 -2.128 1.00 11.44 O ATOM 871 CB VAL A 60 3.555 -0.327 -2.727 1.00 75.44 C ATOM 872 CG1 VAL A 60 4.503 -1.524 -2.635 1.00 41.34 C ATOM 873 CG2 VAL A 60 2.130 -0.797 -3.042 1.00 43.53 C ATOM 0 H VAL A 60 2.181 -0.636 -0.385 1.00 53.13 H new ATOM 0 HA VAL A 60 4.650 0.751 -1.227 1.00 23.45 H new ATOM 0 HB VAL A 60 3.883 0.316 -3.544 1.00 75.44 H new ATOM 0 HG11 VAL A 60 4.453 -2.099 -3.559 1.00 41.34 H new ATOM 0 HG12 VAL A 60 5.522 -1.170 -2.482 1.00 41.34 H new ATOM 0 HG13 VAL A 60 4.210 -2.157 -1.798 1.00 41.34 H new ATOM 0 HG21 VAL A 60 2.135 -1.382 -3.961 1.00 43.53 H new ATOM 0 HG22 VAL A 60 1.760 -1.412 -2.222 1.00 43.53 H new ATOM 0 HG23 VAL A 60 1.480 0.069 -3.167 1.00 43.53 H new ATOM 883 N GLU A 61 3.391 2.923 -1.108 1.00 53.23 N ATOM 884 CA GLU A 61 2.688 4.203 -1.104 1.00 45.52 C ATOM 885 C GLU A 61 2.575 4.816 -2.499 1.00 41.45 C ATOM 886 O GLU A 61 3.514 5.416 -3.020 1.00 32.52 O ATOM 887 CB GLU A 61 3.348 5.192 -0.143 1.00 52.25 C ATOM 888 CG GLU A 61 3.134 4.844 1.321 1.00 74.24 C ATOM 889 CD GLU A 61 1.658 4.781 1.705 1.00 54.20 C ATOM 890 OE1 GLU A 61 1.029 5.851 1.831 1.00 1.51 O ATOM 891 OE2 GLU A 61 1.126 3.664 1.888 1.00 12.45 O ATOM 0 H GLU A 61 4.332 2.953 -0.717 1.00 53.23 H new ATOM 0 HA GLU A 61 1.675 3.996 -0.758 1.00 45.52 H new ATOM 0 HB2 GLU A 61 4.418 5.227 -0.348 1.00 52.25 H new ATOM 0 HB3 GLU A 61 2.954 6.190 -0.333 1.00 52.25 H new ATOM 0 HG2 GLU A 61 3.601 3.882 1.533 1.00 74.24 H new ATOM 0 HG3 GLU A 61 3.635 5.586 1.943 1.00 74.24 H new ATOM 898 N PHE A 62 1.409 4.631 -3.095 1.00 72.21 N ATOM 899 CA PHE A 62 1.046 5.308 -4.336 1.00 63.14 C ATOM 900 C PHE A 62 0.467 6.697 -4.031 1.00 71.35 C ATOM 901 O PHE A 62 -0.223 6.887 -3.027 1.00 12.13 O ATOM 902 CB PHE A 62 0.030 4.467 -5.126 1.00 73.31 C ATOM 903 CG PHE A 62 0.658 3.435 -6.026 1.00 12.22 C ATOM 904 CD1 PHE A 62 1.026 2.187 -5.542 1.00 25.20 C ATOM 905 CD2 PHE A 62 0.880 3.722 -7.364 1.00 74.31 C ATOM 906 CE1 PHE A 62 1.603 1.249 -6.381 1.00 23.11 C ATOM 907 CE2 PHE A 62 1.454 2.791 -8.203 1.00 50.01 C ATOM 908 CZ PHE A 62 1.816 1.554 -7.715 1.00 72.41 C ATOM 0 H PHE A 62 0.686 4.008 -2.735 1.00 72.21 H new ATOM 0 HA PHE A 62 1.943 5.429 -4.944 1.00 63.14 H new ATOM 0 HB2 PHE A 62 -0.635 3.965 -4.423 1.00 73.31 H new ATOM 0 HB3 PHE A 62 -0.587 5.133 -5.729 1.00 73.31 H new ATOM 0 HD1 PHE A 62 0.861 1.946 -4.502 1.00 25.20 H new ATOM 0 HD2 PHE A 62 0.599 4.689 -7.755 1.00 74.31 H new ATOM 0 HE1 PHE A 62 1.887 0.281 -5.996 1.00 23.11 H new ATOM 0 HE2 PHE A 62 1.620 3.031 -9.243 1.00 50.01 H new ATOM 0 HZ PHE A 62 2.265 0.824 -8.372 1.00 72.41 H new ATOM 918 N LEU A 63 0.765 7.670 -4.886 1.00 53.52 N ATOM 919 CA LEU A 63 0.275 9.036 -4.691 1.00 34.03 C ATOM 920 C LEU A 63 0.044 9.755 -6.029 1.00 71.45 C ATOM 921 O LEU A 63 0.978 10.001 -6.792 1.00 1.22 O ATOM 922 CB LEU A 63 1.230 9.850 -3.788 1.00 3.11 C ATOM 923 CG LEU A 63 2.702 9.966 -4.244 1.00 62.12 C ATOM 924 CD1 LEU A 63 3.429 11.014 -3.407 1.00 44.00 C ATOM 925 CD2 LEU A 63 3.425 8.621 -4.145 1.00 51.43 C ATOM 0 H LEU A 63 1.341 7.542 -5.718 1.00 53.52 H new ATOM 0 HA LEU A 63 -0.688 8.962 -4.187 1.00 34.03 H new ATOM 0 HB2 LEU A 63 0.826 10.858 -3.690 1.00 3.11 H new ATOM 0 HB3 LEU A 63 1.218 9.403 -2.794 1.00 3.11 H new ATOM 0 HG LEU A 63 2.706 10.273 -5.290 1.00 62.12 H new ATOM 0 HD11 LEU A 63 4.465 11.088 -3.736 1.00 44.00 H new ATOM 0 HD12 LEU A 63 2.940 11.980 -3.529 1.00 44.00 H new ATOM 0 HD13 LEU A 63 3.402 10.724 -2.357 1.00 44.00 H new ATOM 0 HD21 LEU A 63 4.458 8.738 -4.473 1.00 51.43 H new ATOM 0 HD22 LEU A 63 3.410 8.275 -3.112 1.00 51.43 H new ATOM 0 HD23 LEU A 63 2.923 7.891 -4.780 1.00 51.43 H new ATOM 937 N TYR A 64 -1.223 10.069 -6.308 1.00 73.21 N ATOM 938 CA TYR A 64 -1.618 10.783 -7.533 1.00 50.34 C ATOM 939 C TYR A 64 -1.333 9.956 -8.804 1.00 11.43 C ATOM 940 O TYR A 64 -1.227 10.502 -9.904 1.00 52.23 O ATOM 941 CB TYR A 64 -0.924 12.156 -7.603 1.00 11.35 C ATOM 942 CG TYR A 64 -1.173 13.019 -6.377 1.00 20.35 C ATOM 943 CD1 TYR A 64 -2.398 13.652 -6.186 1.00 22.40 C ATOM 944 CD2 TYR A 64 -0.185 13.197 -5.412 1.00 70.43 C ATOM 945 CE1 TYR A 64 -2.634 14.427 -5.067 1.00 5.21 C ATOM 946 CE2 TYR A 64 -0.413 13.973 -4.292 1.00 30.32 C ATOM 947 CZ TYR A 64 -1.639 14.588 -4.125 1.00 22.31 C ATOM 948 OH TYR A 64 -1.875 15.356 -3.007 1.00 24.21 O ATOM 0 H TYR A 64 -2.005 9.838 -5.695 1.00 73.21 H new ATOM 0 HA TYR A 64 -2.696 10.938 -7.489 1.00 50.34 H new ATOM 0 HB2 TYR A 64 0.149 12.007 -7.722 1.00 11.35 H new ATOM 0 HB3 TYR A 64 -1.272 12.687 -8.489 1.00 11.35 H new ATOM 0 HD1 TYR A 64 -3.177 13.535 -6.925 1.00 22.40 H new ATOM 0 HD2 TYR A 64 0.776 12.720 -5.541 1.00 70.43 H new ATOM 0 HE1 TYR A 64 -3.593 14.905 -4.930 1.00 5.21 H new ATOM 0 HE2 TYR A 64 0.363 14.098 -3.551 1.00 30.32 H new ATOM 0 HH TYR A 64 -1.074 15.367 -2.443 1.00 24.21 H new ATOM 958 N PHE A 65 -1.235 8.633 -8.649 1.00 63.55 N ATOM 959 CA PHE A 65 -1.051 7.719 -9.790 1.00 51.44 C ATOM 960 C PHE A 65 -2.290 6.829 -9.987 1.00 13.13 C ATOM 961 O PHE A 65 -2.686 6.091 -9.083 1.00 21.45 O ATOM 962 CB PHE A 65 0.195 6.839 -9.590 1.00 51.53 C ATOM 963 CG PHE A 65 1.491 7.608 -9.569 1.00 50.22 C ATOM 964 CD1 PHE A 65 2.019 8.137 -10.741 1.00 32.03 C ATOM 965 CD2 PHE A 65 2.185 7.803 -8.384 1.00 14.14 C ATOM 966 CE1 PHE A 65 3.205 8.844 -10.727 1.00 53.14 C ATOM 967 CE2 PHE A 65 3.371 8.508 -8.365 1.00 32.32 C ATOM 968 CZ PHE A 65 3.883 9.029 -9.539 1.00 33.33 C ATOM 0 H PHE A 65 -1.280 8.166 -7.744 1.00 63.55 H new ATOM 0 HA PHE A 65 -0.912 8.329 -10.683 1.00 51.44 H new ATOM 0 HB2 PHE A 65 0.094 6.291 -8.653 1.00 51.53 H new ATOM 0 HB3 PHE A 65 0.236 6.099 -10.389 1.00 51.53 H new ATOM 0 HD1 PHE A 65 1.495 7.993 -11.674 1.00 32.03 H new ATOM 0 HD2 PHE A 65 1.792 7.397 -7.464 1.00 14.14 H new ATOM 0 HE1 PHE A 65 3.602 9.252 -11.645 1.00 53.14 H new ATOM 0 HE2 PHE A 65 3.899 8.653 -7.434 1.00 32.32 H new ATOM 0 HZ PHE A 65 4.812 9.580 -9.526 1.00 33.33 H new ATOM 978 N MET A 66 -2.903 6.902 -11.169 1.00 52.23 N ATOM 979 CA MET A 66 -4.123 6.133 -11.470 1.00 65.34 C ATOM 980 C MET A 66 -4.088 5.544 -12.895 1.00 61.15 C ATOM 981 O MET A 66 -3.079 5.641 -13.595 1.00 25.33 O ATOM 982 CB MET A 66 -5.366 7.024 -11.289 1.00 33.52 C ATOM 983 CG MET A 66 -5.605 7.467 -9.845 1.00 31.44 C ATOM 984 SD MET A 66 -7.040 8.550 -9.654 1.00 51.51 S ATOM 985 CE MET A 66 -8.354 7.515 -10.297 1.00 34.03 C ATOM 0 H MET A 66 -2.578 7.486 -11.939 1.00 52.23 H new ATOM 0 HA MET A 66 -4.174 5.298 -10.771 1.00 65.34 H new ATOM 0 HB2 MET A 66 -5.262 7.908 -11.918 1.00 33.52 H new ATOM 0 HB3 MET A 66 -6.244 6.483 -11.643 1.00 33.52 H new ATOM 0 HG2 MET A 66 -5.739 6.584 -9.220 1.00 31.44 H new ATOM 0 HG3 MET A 66 -4.718 7.984 -9.480 1.00 31.44 H new ATOM 0 HE1 MET A 66 -9.318 7.909 -9.975 1.00 34.03 H new ATOM 0 HE2 MET A 66 -8.311 7.507 -11.386 1.00 34.03 H new ATOM 0 HE3 MET A 66 -8.234 6.499 -9.921 1.00 34.03 H new ATOM 995 N GLY A 67 -5.195 4.929 -13.315 1.00 3.52 N ATOM 996 CA GLY A 67 -5.260 4.313 -14.639 1.00 14.23 C ATOM 997 C GLY A 67 -6.576 3.583 -14.892 1.00 61.12 C ATOM 998 O GLY A 67 -6.591 2.479 -15.435 1.00 32.45 O ATOM 0 H GLY A 67 -6.049 4.845 -12.764 1.00 3.52 H new ATOM 0 HA2 GLY A 67 -5.126 5.083 -15.399 1.00 14.23 H new ATOM 0 HA3 GLY A 67 -4.434 3.610 -14.748 1.00 14.23 H new ATOM 1002 N GLY A 68 -7.686 4.206 -14.495 1.00 52.23 N ATOM 1003 CA GLY A 68 -9.003 3.600 -14.670 1.00 13.22 C ATOM 1004 C GLY A 68 -9.232 2.368 -13.796 1.00 70.31 C ATOM 1005 O GLY A 68 -9.408 2.479 -12.581 1.00 55.42 O ATOM 0 H GLY A 68 -7.698 5.125 -14.053 1.00 52.23 H new ATOM 0 HA2 GLY A 68 -9.768 4.343 -14.444 1.00 13.22 H new ATOM 0 HA3 GLY A 68 -9.129 3.321 -15.716 1.00 13.22 H new ATOM 1009 N GLY A 69 -9.241 1.189 -14.414 1.00 22.20 N ATOM 1010 CA GLY A 69 -9.432 -0.054 -13.672 1.00 51.05 C ATOM 1011 C GLY A 69 -10.896 -0.356 -13.347 1.00 54.32 C ATOM 1012 O GLY A 69 -11.405 -1.416 -13.709 1.00 11.21 O ATOM 0 H GLY A 69 -9.119 1.069 -15.420 1.00 22.20 H new ATOM 0 HA2 GLY A 69 -9.020 -0.880 -14.251 1.00 51.05 H new ATOM 0 HA3 GLY A 69 -8.865 -0.003 -12.742 1.00 51.05 H new ATOM 1016 N LYS A 70 -11.562 0.574 -12.652 1.00 31.35 N ATOM 1017 CA LYS A 70 -12.973 0.416 -12.245 1.00 73.24 C ATOM 1018 C LYS A 70 -13.151 -0.692 -11.190 1.00 50.42 C ATOM 1019 O LYS A 70 -12.951 -1.879 -11.464 1.00 73.31 O ATOM 1020 CB LYS A 70 -13.886 0.142 -13.460 1.00 4.14 C ATOM 1021 CG LYS A 70 -13.955 1.296 -14.452 1.00 52.43 C ATOM 1022 CD LYS A 70 -14.859 0.992 -15.651 1.00 74.11 C ATOM 1023 CE LYS A 70 -16.338 0.886 -15.270 1.00 45.30 C ATOM 1024 NZ LYS A 70 -16.701 -0.443 -14.704 1.00 23.14 N ATOM 0 H LYS A 70 -11.144 1.456 -12.354 1.00 31.35 H new ATOM 0 HA LYS A 70 -13.271 1.362 -11.793 1.00 73.24 H new ATOM 0 HB2 LYS A 70 -13.529 -0.748 -13.977 1.00 4.14 H new ATOM 0 HB3 LYS A 70 -14.892 -0.079 -13.104 1.00 4.14 H new ATOM 0 HG2 LYS A 70 -14.322 2.187 -13.942 1.00 52.43 H new ATOM 0 HG3 LYS A 70 -12.950 1.524 -14.808 1.00 52.43 H new ATOM 0 HD2 LYS A 70 -14.737 1.775 -16.399 1.00 74.11 H new ATOM 0 HD3 LYS A 70 -14.540 0.057 -16.112 1.00 74.11 H new ATOM 0 HE2 LYS A 70 -16.576 1.662 -14.542 1.00 45.30 H new ATOM 0 HE3 LYS A 70 -16.949 1.078 -16.152 1.00 45.30 H new ATOM 0 HZ1 LYS A 70 -17.638 -0.726 -15.056 1.00 23.14 H new ATOM 0 HZ2 LYS A 70 -15.994 -1.149 -14.994 1.00 23.14 H new ATOM 0 HZ3 LYS A 70 -16.725 -0.383 -13.666 1.00 23.14 H new ATOM 1038 N LEU A 71 -13.533 -0.292 -9.977 1.00 74.01 N ATOM 1039 CA LEU A 71 -13.799 -1.240 -8.892 1.00 4.41 C ATOM 1040 C LEU A 71 -15.166 -1.918 -9.082 1.00 34.54 C ATOM 1041 O LEU A 71 -16.213 -1.362 -8.731 1.00 12.02 O ATOM 1042 CB LEU A 71 -13.740 -0.526 -7.533 1.00 44.02 C ATOM 1043 CG LEU A 71 -13.959 -1.425 -6.301 1.00 34.51 C ATOM 1044 CD1 LEU A 71 -12.872 -2.495 -6.201 1.00 1.32 C ATOM 1045 CD2 LEU A 71 -14.014 -0.585 -5.029 1.00 62.34 C ATOM 0 H LEU A 71 -13.666 0.686 -9.719 1.00 74.01 H new ATOM 0 HA LEU A 71 -13.029 -2.012 -8.916 1.00 4.41 H new ATOM 0 HB2 LEU A 71 -12.768 -0.041 -7.439 1.00 44.02 H new ATOM 0 HB3 LEU A 71 -14.492 0.263 -7.524 1.00 44.02 H new ATOM 0 HG LEU A 71 -14.916 -1.933 -6.418 1.00 34.51 H new ATOM 0 HD11 LEU A 71 -13.051 -3.115 -5.323 1.00 1.32 H new ATOM 0 HD12 LEU A 71 -12.892 -3.118 -7.095 1.00 1.32 H new ATOM 0 HD13 LEU A 71 -11.897 -2.016 -6.114 1.00 1.32 H new ATOM 0 HD21 LEU A 71 -14.169 -1.237 -4.169 1.00 62.34 H new ATOM 0 HD22 LEU A 71 -13.075 -0.044 -4.909 1.00 62.34 H new ATOM 0 HD23 LEU A 71 -14.837 0.127 -5.098 1.00 62.34 H new ATOM 1057 N GLU A 72 -15.152 -3.112 -9.663 1.00 31.51 N ATOM 1058 CA GLU A 72 -16.384 -3.848 -9.967 1.00 34.21 C ATOM 1059 C GLU A 72 -16.937 -4.573 -8.731 1.00 13.13 C ATOM 1060 O GLU A 72 -16.300 -5.484 -8.198 1.00 23.52 O ATOM 1061 CB GLU A 72 -16.122 -4.857 -11.094 1.00 23.20 C ATOM 1062 CG GLU A 72 -15.513 -4.234 -12.350 1.00 34.54 C ATOM 1063 CD GLU A 72 -16.420 -3.205 -13.010 1.00 42.40 C ATOM 1064 OE1 GLU A 72 -16.369 -2.017 -12.623 1.00 42.42 O ATOM 1065 OE2 GLU A 72 -17.182 -3.577 -13.926 1.00 0.24 O ATOM 0 H GLU A 72 -14.298 -3.598 -9.936 1.00 31.51 H new ATOM 0 HA GLU A 72 -17.134 -3.125 -10.287 1.00 34.21 H new ATOM 0 HB2 GLU A 72 -15.454 -5.635 -10.725 1.00 23.20 H new ATOM 0 HB3 GLU A 72 -17.061 -5.343 -11.359 1.00 23.20 H new ATOM 0 HG2 GLU A 72 -14.566 -3.761 -12.090 1.00 34.54 H new ATOM 0 HG3 GLU A 72 -15.288 -5.024 -13.067 1.00 34.54 H new ATOM 1072 N HIS A 73 -18.126 -4.168 -8.279 1.00 4.23 N ATOM 1073 CA HIS A 73 -18.767 -4.800 -7.120 1.00 44.12 C ATOM 1074 C HIS A 73 -20.304 -4.769 -7.255 1.00 60.51 C ATOM 1075 O HIS A 73 -20.939 -3.736 -7.031 1.00 3.22 O ATOM 1076 CB HIS A 73 -18.325 -4.100 -5.824 1.00 74.21 C ATOM 1077 CG HIS A 73 -18.583 -4.906 -4.585 1.00 44.32 C ATOM 1078 ND1 HIS A 73 -19.521 -4.561 -3.638 1.00 53.44 N ATOM 1079 CD2 HIS A 73 -18.006 -6.049 -4.138 1.00 2.43 C ATOM 1080 CE1 HIS A 73 -19.511 -5.452 -2.666 1.00 41.53 C ATOM 1081 NE2 HIS A 73 -18.603 -6.364 -2.945 1.00 45.31 N ATOM 0 H HIS A 73 -18.664 -3.408 -8.695 1.00 4.23 H new ATOM 0 HA HIS A 73 -18.454 -5.843 -7.080 1.00 44.12 H new ATOM 0 HB2 HIS A 73 -17.260 -3.878 -5.887 1.00 74.21 H new ATOM 0 HB3 HIS A 73 -18.846 -3.146 -5.741 1.00 74.21 H new ATOM 0 HD2 HIS A 73 -17.223 -6.607 -4.630 1.00 2.43 H new ATOM 0 HE1 HIS A 73 -20.141 -5.436 -1.789 1.00 41.53 H new ATOM 0 HE2 HIS A 73 -18.380 -7.174 -2.367 1.00 45.31 H new ATOM 1090 N HIS A 74 -20.889 -5.906 -7.630 1.00 15.22 N ATOM 1091 CA HIS A 74 -22.339 -6.017 -7.854 1.00 23.33 C ATOM 1092 C HIS A 74 -23.087 -6.344 -6.547 1.00 42.02 C ATOM 1093 O HIS A 74 -22.561 -7.038 -5.679 1.00 31.21 O ATOM 1094 CB HIS A 74 -22.613 -7.109 -8.902 1.00 33.52 C ATOM 1095 CG HIS A 74 -24.056 -7.242 -9.295 1.00 55.13 C ATOM 1096 ND1 HIS A 74 -24.902 -8.185 -8.751 1.00 22.44 N ATOM 1097 CD2 HIS A 74 -24.801 -6.549 -10.191 1.00 2.54 C ATOM 1098 CE1 HIS A 74 -26.098 -8.068 -9.292 1.00 62.21 C ATOM 1099 NE2 HIS A 74 -26.063 -7.086 -10.164 1.00 24.54 N ATOM 0 H HIS A 74 -20.379 -6.775 -7.788 1.00 15.22 H new ATOM 0 HA HIS A 74 -22.704 -5.056 -8.216 1.00 23.33 H new ATOM 0 HB2 HIS A 74 -22.024 -6.896 -9.794 1.00 33.52 H new ATOM 0 HB3 HIS A 74 -22.265 -8.066 -8.512 1.00 33.52 H new ATOM 0 HD2 HIS A 74 -24.465 -5.730 -10.809 1.00 2.54 H new ATOM 0 HE1 HIS A 74 -26.960 -8.676 -9.058 1.00 62.21 H new ATOM 0 HE2 HIS A 74 -26.850 -6.772 -10.732 1.00 24.54 H new ATOM 1108 N HIS A 75 -24.315 -5.838 -6.415 1.00 10.44 N ATOM 1109 CA HIS A 75 -25.150 -6.119 -5.236 1.00 44.35 C ATOM 1110 C HIS A 75 -26.057 -7.336 -5.468 1.00 1.12 C ATOM 1111 O HIS A 75 -26.745 -7.427 -6.484 1.00 51.43 O ATOM 1112 CB HIS A 75 -26.009 -4.898 -4.883 1.00 61.41 C ATOM 1113 CG HIS A 75 -25.208 -3.693 -4.506 1.00 21.54 C ATOM 1114 ND1 HIS A 75 -24.941 -2.667 -5.381 1.00 41.02 N ATOM 1115 CD2 HIS A 75 -24.611 -3.352 -3.338 1.00 34.12 C ATOM 1116 CE1 HIS A 75 -24.217 -1.751 -4.776 1.00 62.21 C ATOM 1117 NE2 HIS A 75 -24.005 -2.140 -3.539 1.00 14.41 N ATOM 0 H HIS A 75 -24.756 -5.232 -7.107 1.00 10.44 H new ATOM 0 HA HIS A 75 -24.480 -6.342 -4.406 1.00 44.35 H new ATOM 0 HB2 HIS A 75 -26.643 -4.651 -5.735 1.00 61.41 H new ATOM 0 HB3 HIS A 75 -26.672 -5.157 -4.057 1.00 61.41 H new ATOM 0 HD2 HIS A 75 -24.613 -3.926 -2.423 1.00 34.12 H new ATOM 0 HE1 HIS A 75 -23.858 -0.835 -5.220 1.00 62.21 H new ATOM 0 HE2 HIS A 75 -23.474 -1.622 -2.839 1.00 14.41 H new ATOM 1126 N HIS A 76 -26.057 -8.264 -4.515 1.00 31.33 N ATOM 1127 CA HIS A 76 -26.885 -9.470 -4.602 1.00 43.54 C ATOM 1128 C HIS A 76 -28.386 -9.137 -4.478 1.00 72.42 C ATOM 1129 O HIS A 76 -29.215 -9.699 -5.192 1.00 51.14 O ATOM 1130 CB HIS A 76 -26.458 -10.474 -3.521 1.00 32.43 C ATOM 1131 CG HIS A 76 -27.184 -11.788 -3.577 1.00 71.15 C ATOM 1132 ND1 HIS A 76 -27.485 -12.531 -2.456 1.00 43.34 N ATOM 1133 CD2 HIS A 76 -27.661 -12.499 -4.629 1.00 53.44 C ATOM 1134 CE1 HIS A 76 -28.112 -13.633 -2.811 1.00 24.44 C ATOM 1135 NE2 HIS A 76 -28.233 -13.640 -4.122 1.00 14.51 N ATOM 0 H HIS A 76 -25.491 -8.206 -3.668 1.00 31.33 H new ATOM 0 HA HIS A 76 -26.734 -9.918 -5.584 1.00 43.54 H new ATOM 0 HB2 HIS A 76 -25.388 -10.659 -3.616 1.00 32.43 H new ATOM 0 HB3 HIS A 76 -26.618 -10.025 -2.541 1.00 32.43 H new ATOM 0 HD2 HIS A 76 -27.602 -12.220 -5.671 1.00 53.44 H new ATOM 0 HE1 HIS A 76 -28.467 -14.401 -2.140 1.00 24.44 H new ATOM 0 HE2 HIS A 76 -28.679 -14.374 -4.672 1.00 14.51 H new ATOM 1144 N HIS A 77 -28.729 -8.235 -3.561 1.00 2.43 N ATOM 1145 CA HIS A 77 -30.117 -7.767 -3.398 1.00 43.52 C ATOM 1146 C HIS A 77 -30.176 -6.230 -3.377 1.00 3.04 C ATOM 1147 O HIS A 77 -29.173 -5.566 -3.110 1.00 34.41 O ATOM 1148 CB HIS A 77 -30.733 -8.323 -2.106 1.00 53.53 C ATOM 1149 CG HIS A 77 -30.825 -9.821 -2.050 1.00 53.23 C ATOM 1150 ND1 HIS A 77 -30.642 -10.537 -0.888 1.00 61.31 N ATOM 1151 CD2 HIS A 77 -31.113 -10.737 -3.006 1.00 1.30 C ATOM 1152 CE1 HIS A 77 -30.811 -11.822 -1.128 1.00 14.20 C ATOM 1153 NE2 HIS A 77 -31.097 -11.972 -2.405 1.00 44.44 N ATOM 0 H HIS A 77 -28.067 -7.808 -2.914 1.00 2.43 H new ATOM 0 HA HIS A 77 -30.691 -8.132 -4.249 1.00 43.52 H new ATOM 0 HB2 HIS A 77 -30.141 -7.977 -1.259 1.00 53.53 H new ATOM 0 HB3 HIS A 77 -31.733 -7.906 -1.988 1.00 53.53 H new ATOM 0 HD2 HIS A 77 -31.317 -10.534 -4.047 1.00 1.30 H new ATOM 0 HE1 HIS A 77 -30.729 -12.617 -0.401 1.00 14.20 H new ATOM 0 HE2 HIS A 77 -31.277 -12.861 -2.872 1.00 44.44 H new ATOM 1162 N HIS A 78 -31.353 -5.670 -3.658 1.00 25.21 N ATOM 1163 CA HIS A 78 -31.548 -4.210 -3.642 1.00 53.33 C ATOM 1164 C HIS A 78 -32.389 -3.768 -2.427 1.00 22.13 C ATOM 1165 O HIS A 78 -33.620 -3.992 -2.433 1.00 37.98 O ATOM 1166 CB HIS A 78 -32.212 -3.745 -4.944 1.00 33.22 C ATOM 1167 CG HIS A 78 -31.391 -4.020 -6.167 1.00 34.21 C ATOM 1168 ND1 HIS A 78 -30.537 -3.094 -6.724 1.00 31.11 N ATOM 1169 CD2 HIS A 78 -31.290 -5.127 -6.941 1.00 70.23 C ATOM 1170 CE1 HIS A 78 -29.950 -3.614 -7.780 1.00 3.13 C ATOM 1171 NE2 HIS A 78 -30.390 -4.845 -7.935 1.00 1.14 N ATOM 1172 OXT HIS A 78 -31.817 -3.196 -1.474 1.00 37.98 O ATOM 0 H HIS A 78 -32.189 -6.201 -3.900 1.00 25.21 H new ATOM 0 HA HIS A 78 -30.566 -3.744 -3.558 1.00 53.33 H new ATOM 0 HB2 HIS A 78 -33.178 -4.239 -5.046 1.00 33.22 H new ATOM 0 HB3 HIS A 78 -32.407 -2.674 -4.881 1.00 33.22 H new ATOM 0 HD2 HIS A 78 -31.820 -6.058 -6.801 1.00 70.23 H new ATOM 0 HE1 HIS A 78 -29.230 -3.116 -8.412 1.00 3.13 H new ATOM 0 HE2 HIS A 78 -30.106 -5.486 -8.676 1.00 1.14 H new TER 1181 HIS A 78