USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1031 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 27 TYR OH : rot 180:sc= 0.0106 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -110:sc= 1.34 (180deg=-0.305) USER MOD Set 2.1: A 9 THR OG1 : rot 150:sc= 0.177 USER MOD Set 2.2: A 83 GLN : amide:sc= -0.704 K(o=-0.53,f=-5.4!) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= 1.24 (180deg=-0.69) USER MOD Single : A 8 ASN : amide:sc= 0.248 K(o=0.25,f=-0.85) USER MOD Single : A 10 ASN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.285 K(o=-0.28,f=-2.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0112) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 0.834 (180deg=0.579) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= 0.614 (180deg=-0.562) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc=-0.000996 (180deg=-0.0706) USER MOD Single : A 42 MET CE :methyl -137:sc= -1.84 (180deg=-2.33) USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= 1.11 (180deg=0.197) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -107:sc= 0.458 USER MOD Single : A 59 ASN : amide:sc= -0.666 K(o=-0.67,f=-2.5!) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.792 (180deg=0.785) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 168:sc= -0.289 (180deg=-0.537) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.05) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.0492 X(o=0.049,f=-0.15) USER MOD Single : A 88 ASN : amide:sc= -0.0139 K(o=-0.014,f=-1.6!) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 1.55 (180deg=0.472) USER MOD Single : A 96 LYS NZ :NH3+ -135:sc= 0.338 (180deg=-0.375) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.217 K(o=-0.22,f=-3.9!) USER MOD Single : A 102 TYR OH : rot -148:sc= 0.373 USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= 0.879 (180deg=0.651) USER MOD Single : A 108 THR OG1 : rot 73:sc= 0.161 USER MOD Single : A 115 LYS NZ :NH3+ 141:sc= -0.749 (180deg=-2.91!) USER MOD Single : A 121 MET CE :methyl -177:sc= -4.17! (180deg=-4.5) USER MOD Single : A 122 GLN : amide:sc= 0.284 X(o=0.28,f=-0.04) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0364) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.665 4.856 13.398 1.00 54.14 N ATOM 21 CA LYS A 2 3.055 3.785 12.598 1.00 72.41 C ATOM 22 C LYS A 2 2.798 4.318 11.187 1.00 14.21 C ATOM 23 O LYS A 2 1.817 5.029 10.939 1.00 60.21 O ATOM 24 CB LYS A 2 1.754 3.244 13.273 1.00 55.10 C ATOM 25 CG LYS A 2 0.858 2.337 12.380 1.00 23.32 C ATOM 26 CD LYS A 2 -0.130 1.461 13.187 1.00 40.22 C ATOM 27 CE LYS A 2 -1.007 2.251 14.176 1.00 23.34 C ATOM 28 NZ LYS A 2 -1.751 1.347 15.095 1.00 2.02 N ATOM 0 HA LYS A 2 3.735 2.936 12.535 1.00 72.41 H new ATOM 0 HB2 LYS A 2 2.035 2.682 14.163 1.00 55.10 H new ATOM 0 HB3 LYS A 2 1.160 4.094 13.608 1.00 55.10 H new ATOM 0 HG2 LYS A 2 0.295 2.964 11.689 1.00 23.32 H new ATOM 0 HG3 LYS A 2 1.496 1.691 11.777 1.00 23.32 H new ATOM 0 HD2 LYS A 2 -0.777 0.927 12.491 1.00 40.22 H new ATOM 0 HD3 LYS A 2 0.435 0.709 13.739 1.00 40.22 H new ATOM 0 HE2 LYS A 2 -0.381 2.927 14.758 1.00 23.34 H new ATOM 0 HE3 LYS A 2 -1.714 2.869 13.622 1.00 23.34 H new ATOM 0 HZ1 LYS A 2 -2.743 1.653 15.156 1.00 2.02 H new ATOM 0 HZ2 LYS A 2 -1.711 0.373 14.732 1.00 2.02 H new ATOM 0 HZ3 LYS A 2 -1.320 1.382 16.041 1.00 2.02 H new ATOM 42 N ILE A 3 3.742 4.034 10.291 1.00 72.22 N ATOM 43 CA ILE A 3 3.642 4.376 8.870 1.00 11.11 C ATOM 44 C ILE A 3 3.074 3.174 8.108 1.00 15.01 C ATOM 45 O ILE A 3 3.560 2.048 8.265 1.00 62.42 O ATOM 46 CB ILE A 3 5.043 4.818 8.305 1.00 3.11 C ATOM 47 CG1 ILE A 3 5.480 6.139 9.027 1.00 54.00 C ATOM 48 CG2 ILE A 3 5.008 4.980 6.767 1.00 41.15 C ATOM 49 CD1 ILE A 3 6.710 6.830 8.475 1.00 11.23 C ATOM 0 H ILE A 3 4.609 3.554 10.533 1.00 72.22 H new ATOM 0 HA ILE A 3 2.967 5.222 8.739 1.00 11.11 H new ATOM 0 HB ILE A 3 5.781 4.042 8.508 1.00 3.11 H new ATOM 0 HG12 ILE A 3 4.647 6.841 8.989 1.00 54.00 H new ATOM 0 HG13 ILE A 3 5.658 5.912 10.078 1.00 54.00 H new ATOM 0 HG21 ILE A 3 5.992 5.286 6.411 1.00 41.15 H new ATOM 0 HG22 ILE A 3 4.735 4.030 6.307 1.00 41.15 H new ATOM 0 HG23 ILE A 3 4.273 5.738 6.498 1.00 41.15 H new ATOM 0 HD11 ILE A 3 6.913 7.730 9.055 1.00 11.23 H new ATOM 0 HD12 ILE A 3 7.565 6.157 8.539 1.00 11.23 H new ATOM 0 HD13 ILE A 3 6.538 7.101 7.433 1.00 11.23 H new ATOM 61 N LEU A 4 2.028 3.416 7.302 1.00 2.15 N ATOM 62 CA LEU A 4 1.287 2.353 6.622 1.00 14.14 C ATOM 63 C LEU A 4 1.703 2.328 5.150 1.00 53.01 C ATOM 64 O LEU A 4 1.425 3.272 4.398 1.00 13.42 O ATOM 65 CB LEU A 4 -0.242 2.596 6.785 1.00 61.04 C ATOM 66 CG LEU A 4 -0.742 2.729 8.263 1.00 21.31 C ATOM 67 CD1 LEU A 4 -2.249 2.990 8.327 1.00 60.22 C ATOM 68 CD2 LEU A 4 -0.372 1.492 9.104 1.00 4.44 C ATOM 0 H LEU A 4 1.676 4.353 7.107 1.00 2.15 H new ATOM 0 HA LEU A 4 1.515 1.382 7.062 1.00 14.14 H new ATOM 0 HB2 LEU A 4 -0.509 3.504 6.245 1.00 61.04 H new ATOM 0 HB3 LEU A 4 -0.777 1.774 6.310 1.00 61.04 H new ATOM 0 HG LEU A 4 -0.231 3.591 8.691 1.00 21.31 H new ATOM 0 HD11 LEU A 4 -2.559 3.076 9.368 1.00 60.22 H new ATOM 0 HD12 LEU A 4 -2.480 3.916 7.801 1.00 60.22 H new ATOM 0 HD13 LEU A 4 -2.782 2.163 7.857 1.00 60.22 H new ATOM 0 HD21 LEU A 4 -0.736 1.623 10.123 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -0.829 0.605 8.666 1.00 4.44 H new ATOM 0 HD23 LEU A 4 0.711 1.373 9.118 1.00 4.44 H new ATOM 80 N ILE A 5 2.430 1.272 4.760 1.00 13.30 N ATOM 81 CA ILE A 5 2.845 1.064 3.370 1.00 64.43 C ATOM 82 C ILE A 5 1.693 0.357 2.633 1.00 1.25 C ATOM 83 O ILE A 5 1.429 -0.823 2.875 1.00 14.53 O ATOM 84 CB ILE A 5 4.167 0.207 3.273 1.00 14.21 C ATOM 85 CG1 ILE A 5 5.303 0.788 4.186 1.00 63.01 C ATOM 86 CG2 ILE A 5 4.650 0.082 1.801 1.00 54.34 C ATOM 87 CD1 ILE A 5 5.778 2.187 3.830 1.00 23.33 C ATOM 0 H ILE A 5 2.745 0.541 5.398 1.00 13.30 H new ATOM 0 HA ILE A 5 3.063 2.029 2.912 1.00 64.43 H new ATOM 0 HB ILE A 5 3.930 -0.793 3.638 1.00 14.21 H new ATOM 0 HG12 ILE A 5 4.949 0.795 5.217 1.00 63.01 H new ATOM 0 HG13 ILE A 5 6.157 0.112 4.147 1.00 63.01 H new ATOM 0 HG21 ILE A 5 5.562 -0.514 1.767 1.00 54.34 H new ATOM 0 HG22 ILE A 5 3.877 -0.403 1.204 1.00 54.34 H new ATOM 0 HG23 ILE A 5 4.850 1.075 1.398 1.00 54.34 H new ATOM 0 HD11 ILE A 5 6.563 2.492 4.522 1.00 23.33 H new ATOM 0 HD12 ILE A 5 6.170 2.190 2.813 1.00 23.33 H new ATOM 0 HD13 ILE A 5 4.942 2.884 3.899 1.00 23.33 H new ATOM 99 N LEU A 6 0.987 1.091 1.771 1.00 51.21 N ATOM 100 CA LEU A 6 -0.171 0.565 1.038 1.00 32.11 C ATOM 101 C LEU A 6 0.348 0.013 -0.299 1.00 72.23 C ATOM 102 O LEU A 6 1.225 0.615 -0.910 1.00 50.13 O ATOM 103 CB LEU A 6 -1.225 1.699 0.816 1.00 44.11 C ATOM 104 CG LEU A 6 -2.743 1.289 0.824 1.00 50.53 C ATOM 105 CD1 LEU A 6 -3.100 0.199 -0.219 1.00 52.05 C ATOM 106 CD2 LEU A 6 -3.184 0.882 2.241 1.00 31.21 C ATOM 0 H LEU A 6 1.200 2.066 1.560 1.00 51.21 H new ATOM 0 HA LEU A 6 -0.666 -0.227 1.599 1.00 32.11 H new ATOM 0 HB2 LEU A 6 -1.076 2.453 1.589 1.00 44.11 H new ATOM 0 HB3 LEU A 6 -1.010 2.176 -0.140 1.00 44.11 H new ATOM 0 HG LEU A 6 -3.304 2.173 0.520 1.00 50.53 H new ATOM 0 HD11 LEU A 6 -4.163 -0.032 -0.154 1.00 52.05 H new ATOM 0 HD12 LEU A 6 -2.868 0.563 -1.220 1.00 52.05 H new ATOM 0 HD13 LEU A 6 -2.520 -0.702 -0.017 1.00 52.05 H new ATOM 0 HD21 LEU A 6 -4.237 0.601 2.228 1.00 31.21 H new ATOM 0 HD22 LEU A 6 -2.587 0.035 2.579 1.00 31.21 H new ATOM 0 HD23 LEU A 6 -3.041 1.721 2.922 1.00 31.21 H new ATOM 118 N ILE A 7 -0.152 -1.151 -0.735 1.00 12.22 N ATOM 119 CA ILE A 7 0.253 -1.773 -2.010 1.00 44.41 C ATOM 120 C ILE A 7 -0.983 -2.351 -2.720 1.00 74.21 C ATOM 121 O ILE A 7 -1.803 -3.026 -2.095 1.00 4.15 O ATOM 122 CB ILE A 7 1.330 -2.910 -1.774 1.00 53.13 C ATOM 123 CG1 ILE A 7 2.588 -2.326 -1.059 1.00 51.12 C ATOM 124 CG2 ILE A 7 1.727 -3.606 -3.100 1.00 21.54 C ATOM 125 CD1 ILE A 7 3.614 -3.345 -0.643 1.00 23.00 C ATOM 0 H ILE A 7 -0.847 -1.689 -0.218 1.00 12.22 H new ATOM 0 HA ILE A 7 0.707 -1.007 -2.639 1.00 44.41 H new ATOM 0 HB ILE A 7 0.880 -3.666 -1.131 1.00 53.13 H new ATOM 0 HG12 ILE A 7 3.063 -1.605 -1.724 1.00 51.12 H new ATOM 0 HG13 ILE A 7 2.263 -1.778 -0.175 1.00 51.12 H new ATOM 0 HG21 ILE A 7 2.467 -4.380 -2.897 1.00 21.54 H new ATOM 0 HG22 ILE A 7 0.844 -4.058 -3.552 1.00 21.54 H new ATOM 0 HG23 ILE A 7 2.149 -2.870 -3.785 1.00 21.54 H new ATOM 0 HD11 ILE A 7 4.449 -2.842 -0.155 1.00 23.00 H new ATOM 0 HD12 ILE A 7 3.162 -4.054 0.051 1.00 23.00 H new ATOM 0 HD13 ILE A 7 3.975 -3.878 -1.523 1.00 23.00 H new ATOM 137 N ASN A 8 -1.124 -2.047 -4.015 1.00 31.45 N ATOM 138 CA ASN A 8 -2.099 -2.690 -4.908 1.00 20.11 C ATOM 139 C ASN A 8 -1.317 -3.340 -6.043 1.00 34.32 C ATOM 140 O ASN A 8 -0.653 -2.650 -6.808 1.00 20.23 O ATOM 141 CB ASN A 8 -3.107 -1.657 -5.468 1.00 4.31 C ATOM 142 CG ASN A 8 -4.053 -2.172 -6.578 1.00 60.43 C ATOM 143 OD1 ASN A 8 -4.397 -1.427 -7.496 1.00 24.13 O ATOM 144 ND2 ASN A 8 -4.511 -3.418 -6.494 1.00 41.30 N ATOM 0 H ASN A 8 -0.557 -1.338 -4.480 1.00 31.45 H new ATOM 0 HA ASN A 8 -2.676 -3.435 -4.360 1.00 20.11 H new ATOM 0 HB2 ASN A 8 -3.714 -1.286 -4.642 1.00 4.31 H new ATOM 0 HB3 ASN A 8 -2.548 -0.807 -5.859 1.00 4.31 H new ATOM 0 HD21 ASN A 8 -5.159 -3.772 -7.198 1.00 41.30 H new ATOM 0 HD22 ASN A 8 -4.214 -4.020 -5.726 1.00 41.30 H new ATOM 151 N THR A 9 -1.363 -4.669 -6.108 1.00 41.40 N ATOM 152 CA THR A 9 -0.778 -5.444 -7.204 1.00 32.41 C ATOM 153 C THR A 9 -1.860 -6.345 -7.807 1.00 54.41 C ATOM 154 O THR A 9 -2.750 -6.822 -7.085 1.00 54.54 O ATOM 155 CB THR A 9 0.466 -6.282 -6.728 1.00 64.12 C ATOM 156 OG1 THR A 9 1.028 -7.020 -7.829 1.00 14.11 O ATOM 157 CG2 THR A 9 0.128 -7.245 -5.572 1.00 15.02 C ATOM 0 H THR A 9 -1.811 -5.245 -5.395 1.00 41.40 H new ATOM 0 HA THR A 9 -0.412 -4.757 -7.967 1.00 32.41 H new ATOM 0 HB THR A 9 1.198 -5.567 -6.353 1.00 64.12 H new ATOM 0 HG1 THR A 9 1.992 -7.131 -7.690 1.00 14.11 H new ATOM 0 HG21 THR A 9 1.023 -7.797 -5.285 1.00 15.02 H new ATOM 0 HG22 THR A 9 -0.236 -6.674 -4.718 1.00 15.02 H new ATOM 0 HG23 THR A 9 -0.642 -7.945 -5.895 1.00 15.02 H new ATOM 165 N ASN A 10 -1.809 -6.542 -9.131 1.00 1.42 N ATOM 166 CA ASN A 10 -2.704 -7.488 -9.833 1.00 31.53 C ATOM 167 C ASN A 10 -2.074 -8.899 -9.848 1.00 41.23 C ATOM 168 O ASN A 10 -2.730 -9.885 -10.198 1.00 73.13 O ATOM 169 CB ASN A 10 -2.987 -7.004 -11.279 1.00 31.11 C ATOM 170 CG ASN A 10 -3.746 -5.670 -11.358 1.00 71.33 C ATOM 171 OD1 ASN A 10 -4.979 -5.635 -11.352 1.00 42.51 O ATOM 172 ND2 ASN A 10 -3.019 -4.565 -11.442 1.00 11.24 N ATOM 0 H ASN A 10 -1.155 -6.058 -9.746 1.00 1.42 H new ATOM 0 HA ASN A 10 -3.653 -7.532 -9.299 1.00 31.53 H new ATOM 0 HB2 ASN A 10 -2.040 -6.902 -11.808 1.00 31.11 H new ATOM 0 HB3 ASN A 10 -3.563 -7.769 -11.800 1.00 31.11 H new ATOM 0 HD21 ASN A 10 -3.478 -3.656 -11.504 1.00 11.24 H new ATOM 0 HD22 ASN A 10 -2.001 -4.623 -11.445 1.00 11.24 H new ATOM 179 N ASN A 11 -0.788 -8.963 -9.462 1.00 53.34 N ATOM 180 CA ASN A 11 0.009 -10.199 -9.441 1.00 2.01 C ATOM 181 C ASN A 11 -0.131 -10.900 -8.081 1.00 44.02 C ATOM 182 O ASN A 11 0.065 -10.274 -7.035 1.00 63.11 O ATOM 183 CB ASN A 11 1.507 -9.884 -9.701 1.00 72.03 C ATOM 184 CG ASN A 11 1.795 -9.168 -11.025 1.00 52.22 C ATOM 185 OD1 ASN A 11 1.001 -8.363 -11.509 1.00 13.43 O ATOM 186 ND2 ASN A 11 2.938 -9.461 -11.624 1.00 30.44 N ATOM 0 H ASN A 11 -0.266 -8.144 -9.151 1.00 53.34 H new ATOM 0 HA ASN A 11 -0.362 -10.856 -10.228 1.00 2.01 H new ATOM 0 HB2 ASN A 11 1.881 -9.269 -8.883 1.00 72.03 H new ATOM 0 HB3 ASN A 11 2.069 -10.818 -9.680 1.00 72.03 H new ATOM 0 HD21 ASN A 11 3.179 -9.015 -12.509 1.00 30.44 H new ATOM 0 HD22 ASN A 11 3.578 -10.132 -11.200 1.00 30.44 H new ATOM 193 N ASP A 12 -0.450 -12.201 -8.119 1.00 4.30 N ATOM 194 CA ASP A 12 -0.577 -13.041 -6.902 1.00 23.42 C ATOM 195 C ASP A 12 0.790 -13.268 -6.238 1.00 64.42 C ATOM 196 O ASP A 12 0.891 -13.259 -5.016 1.00 0.01 O ATOM 197 CB ASP A 12 -1.213 -14.416 -7.238 1.00 21.32 C ATOM 198 CG ASP A 12 -2.643 -14.310 -7.783 1.00 53.40 C ATOM 199 OD1 ASP A 12 -2.813 -13.991 -8.975 1.00 14.14 O ATOM 200 OD2 ASP A 12 -3.604 -14.552 -7.032 1.00 53.33 O ATOM 0 H ASP A 12 -0.628 -12.707 -8.987 1.00 4.30 H new ATOM 0 HA ASP A 12 -1.225 -12.505 -6.209 1.00 23.42 H new ATOM 0 HB2 ASP A 12 -0.589 -14.927 -7.972 1.00 21.32 H new ATOM 0 HB3 ASP A 12 -1.219 -15.034 -6.340 1.00 21.32 H new ATOM 205 N GLU A 13 1.831 -13.452 -7.075 1.00 61.01 N ATOM 206 CA GLU A 13 3.202 -13.742 -6.618 1.00 21.50 C ATOM 207 C GLU A 13 3.729 -12.604 -5.730 1.00 23.03 C ATOM 208 O GLU A 13 4.258 -12.858 -4.649 1.00 33.12 O ATOM 209 CB GLU A 13 4.147 -13.969 -7.834 1.00 44.04 C ATOM 210 CG GLU A 13 3.762 -15.187 -8.703 1.00 13.43 C ATOM 211 CD GLU A 13 4.699 -15.390 -9.902 1.00 74.35 C ATOM 212 OE1 GLU A 13 5.740 -16.064 -9.744 1.00 31.22 O ATOM 213 OE2 GLU A 13 4.396 -14.870 -11.001 1.00 64.41 O ATOM 0 H GLU A 13 1.742 -13.403 -8.090 1.00 61.01 H new ATOM 0 HA GLU A 13 3.179 -14.656 -6.025 1.00 21.50 H new ATOM 0 HB2 GLU A 13 4.144 -13.074 -8.457 1.00 44.04 H new ATOM 0 HB3 GLU A 13 5.166 -14.101 -7.471 1.00 44.04 H new ATOM 0 HG2 GLU A 13 3.772 -16.085 -8.085 1.00 13.43 H new ATOM 0 HG3 GLU A 13 2.741 -15.060 -9.064 1.00 13.43 H new ATOM 220 N LEU A 14 3.495 -11.347 -6.167 1.00 22.13 N ATOM 221 CA LEU A 14 4.021 -10.140 -5.485 1.00 64.14 C ATOM 222 C LEU A 14 3.494 -9.987 -4.055 1.00 13.54 C ATOM 223 O LEU A 14 4.154 -9.360 -3.236 1.00 13.54 O ATOM 224 CB LEU A 14 3.752 -8.848 -6.312 1.00 72.34 C ATOM 225 CG LEU A 14 4.837 -8.507 -7.378 1.00 70.34 C ATOM 226 CD1 LEU A 14 6.213 -8.267 -6.709 1.00 64.24 C ATOM 227 CD2 LEU A 14 4.924 -9.595 -8.475 1.00 42.33 C ATOM 0 H LEU A 14 2.940 -11.139 -6.997 1.00 22.13 H new ATOM 0 HA LEU A 14 5.099 -10.283 -5.414 1.00 64.14 H new ATOM 0 HB2 LEU A 14 2.790 -8.951 -6.815 1.00 72.34 H new ATOM 0 HB3 LEU A 14 3.664 -8.007 -5.624 1.00 72.34 H new ATOM 0 HG LEU A 14 4.537 -7.581 -7.869 1.00 70.34 H new ATOM 0 HD11 LEU A 14 6.953 -8.031 -7.474 1.00 64.24 H new ATOM 0 HD12 LEU A 14 6.137 -7.435 -6.009 1.00 64.24 H new ATOM 0 HD13 LEU A 14 6.519 -9.166 -6.173 1.00 64.24 H new ATOM 0 HD21 LEU A 14 5.691 -9.321 -9.199 1.00 42.33 H new ATOM 0 HD22 LEU A 14 5.180 -10.551 -8.019 1.00 42.33 H new ATOM 0 HD23 LEU A 14 3.962 -9.680 -8.980 1.00 42.33 H new ATOM 239 N ILE A 15 2.322 -10.568 -3.772 1.00 12.13 N ATOM 240 CA ILE A 15 1.748 -10.584 -2.419 1.00 33.14 C ATOM 241 C ILE A 15 2.735 -11.259 -1.430 1.00 64.24 C ATOM 242 O ILE A 15 3.232 -10.597 -0.518 1.00 0.44 O ATOM 243 CB ILE A 15 0.337 -11.295 -2.414 1.00 62.15 C ATOM 244 CG1 ILE A 15 -0.635 -10.568 -3.404 1.00 74.34 C ATOM 245 CG2 ILE A 15 -0.270 -11.361 -0.987 1.00 13.30 C ATOM 246 CD1 ILE A 15 -1.999 -11.228 -3.555 1.00 72.11 C ATOM 0 H ILE A 15 1.746 -11.039 -4.470 1.00 12.13 H new ATOM 0 HA ILE A 15 1.591 -9.557 -2.090 1.00 33.14 H new ATOM 0 HB ILE A 15 0.477 -12.323 -2.749 1.00 62.15 H new ATOM 0 HG12 ILE A 15 -0.778 -9.542 -3.064 1.00 74.34 H new ATOM 0 HG13 ILE A 15 -0.161 -10.515 -4.384 1.00 74.34 H new ATOM 0 HG21 ILE A 15 -1.240 -11.857 -1.027 1.00 13.30 H new ATOM 0 HG22 ILE A 15 0.398 -11.922 -0.333 1.00 13.30 H new ATOM 0 HG23 ILE A 15 -0.395 -10.351 -0.598 1.00 13.30 H new ATOM 0 HD11 ILE A 15 -2.604 -10.656 -4.259 1.00 72.11 H new ATOM 0 HD12 ILE A 15 -1.872 -12.244 -3.928 1.00 72.11 H new ATOM 0 HD13 ILE A 15 -2.499 -11.256 -2.587 1.00 72.11 H new ATOM 258 N LYS A 16 3.103 -12.532 -1.693 1.00 1.34 N ATOM 259 CA LYS A 16 3.980 -13.306 -0.780 1.00 71.34 C ATOM 260 C LYS A 16 5.452 -12.841 -0.857 1.00 50.14 C ATOM 261 O LYS A 16 6.164 -12.891 0.148 1.00 11.11 O ATOM 262 CB LYS A 16 3.889 -14.826 -1.054 1.00 51.32 C ATOM 263 CG LYS A 16 4.496 -15.289 -2.398 1.00 2.20 C ATOM 264 CD LYS A 16 4.447 -16.825 -2.583 1.00 64.04 C ATOM 265 CE LYS A 16 3.014 -17.386 -2.611 1.00 64.04 C ATOM 266 NZ LYS A 16 2.992 -18.853 -2.893 1.00 44.30 N ATOM 0 H LYS A 16 2.810 -13.045 -2.524 1.00 1.34 H new ATOM 0 HA LYS A 16 3.617 -13.114 0.230 1.00 71.34 H new ATOM 0 HB2 LYS A 16 4.392 -15.356 -0.245 1.00 51.32 H new ATOM 0 HB3 LYS A 16 2.840 -15.122 -1.026 1.00 51.32 H new ATOM 0 HG2 LYS A 16 3.958 -14.812 -3.217 1.00 2.20 H new ATOM 0 HG3 LYS A 16 5.531 -14.954 -2.458 1.00 2.20 H new ATOM 0 HD2 LYS A 16 4.952 -17.089 -3.512 1.00 64.04 H new ATOM 0 HD3 LYS A 16 5.001 -17.300 -1.773 1.00 64.04 H new ATOM 0 HE2 LYS A 16 2.531 -17.194 -1.653 1.00 64.04 H new ATOM 0 HE3 LYS A 16 2.434 -16.862 -3.371 1.00 64.04 H new ATOM 0 HZ1 LYS A 16 2.008 -19.190 -2.903 1.00 44.30 H new ATOM 0 HZ2 LYS A 16 3.430 -19.035 -3.819 1.00 44.30 H new ATOM 0 HZ3 LYS A 16 3.523 -19.357 -2.154 1.00 44.30 H new ATOM 280 N LYS A 17 5.887 -12.393 -2.064 1.00 33.10 N ATOM 281 CA LYS A 17 7.272 -11.919 -2.304 1.00 43.15 C ATOM 282 C LYS A 17 7.574 -10.709 -1.408 1.00 4.43 C ATOM 283 O LYS A 17 8.554 -10.713 -0.663 1.00 62.03 O ATOM 284 CB LYS A 17 7.493 -11.546 -3.800 1.00 40.52 C ATOM 285 CG LYS A 17 7.382 -12.730 -4.792 1.00 14.25 C ATOM 286 CD LYS A 17 7.427 -12.276 -6.278 1.00 3.32 C ATOM 287 CE LYS A 17 8.797 -11.739 -6.724 1.00 14.30 C ATOM 288 NZ LYS A 17 9.828 -12.812 -6.766 1.00 62.11 N ATOM 0 H LYS A 17 5.291 -12.351 -2.891 1.00 33.10 H new ATOM 0 HA LYS A 17 7.955 -12.732 -2.057 1.00 43.15 H new ATOM 0 HB2 LYS A 17 6.764 -10.786 -4.081 1.00 40.52 H new ATOM 0 HB3 LYS A 17 8.480 -11.095 -3.905 1.00 40.52 H new ATOM 0 HG2 LYS A 17 8.195 -13.431 -4.606 1.00 14.25 H new ATOM 0 HG3 LYS A 17 6.451 -13.266 -4.608 1.00 14.25 H new ATOM 0 HD2 LYS A 17 7.153 -13.118 -6.913 1.00 3.32 H new ATOM 0 HD3 LYS A 17 6.676 -11.502 -6.434 1.00 3.32 H new ATOM 0 HE2 LYS A 17 8.705 -11.285 -7.711 1.00 14.30 H new ATOM 0 HE3 LYS A 17 9.119 -10.953 -6.041 1.00 14.30 H new ATOM 0 HZ1 LYS A 17 10.719 -12.423 -7.136 1.00 62.11 H new ATOM 0 HZ2 LYS A 17 9.983 -13.182 -5.806 1.00 62.11 H new ATOM 0 HZ3 LYS A 17 9.503 -13.582 -7.385 1.00 62.11 H new ATOM 302 N ILE A 18 6.677 -9.707 -1.469 1.00 61.10 N ATOM 303 CA ILE A 18 6.776 -8.484 -0.660 1.00 44.14 C ATOM 304 C ILE A 18 6.632 -8.816 0.843 1.00 33.52 C ATOM 305 O ILE A 18 7.348 -8.240 1.660 1.00 60.55 O ATOM 306 CB ILE A 18 5.709 -7.410 -1.113 1.00 52.34 C ATOM 307 CG1 ILE A 18 6.010 -6.914 -2.571 1.00 11.02 C ATOM 308 CG2 ILE A 18 5.646 -6.224 -0.129 1.00 64.31 C ATOM 309 CD1 ILE A 18 4.967 -5.981 -3.174 1.00 64.24 C ATOM 0 H ILE A 18 5.863 -9.726 -2.083 1.00 61.10 H new ATOM 0 HA ILE A 18 7.763 -8.050 -0.820 1.00 44.14 H new ATOM 0 HB ILE A 18 4.730 -7.890 -1.108 1.00 52.34 H new ATOM 0 HG12 ILE A 18 6.973 -6.403 -2.571 1.00 11.02 H new ATOM 0 HG13 ILE A 18 6.111 -7.785 -3.219 1.00 11.02 H new ATOM 0 HG21 ILE A 18 4.902 -5.505 -0.472 1.00 64.31 H new ATOM 0 HG22 ILE A 18 5.370 -6.587 0.861 1.00 64.31 H new ATOM 0 HG23 ILE A 18 6.622 -5.740 -0.079 1.00 64.31 H new ATOM 0 HD11 ILE A 18 5.271 -5.698 -4.182 1.00 64.24 H new ATOM 0 HD12 ILE A 18 4.004 -6.490 -3.215 1.00 64.24 H new ATOM 0 HD13 ILE A 18 4.879 -5.087 -2.557 1.00 64.24 H new ATOM 321 N LYS A 19 5.734 -9.777 1.185 1.00 41.34 N ATOM 322 CA LYS A 19 5.536 -10.217 2.586 1.00 44.43 C ATOM 323 C LYS A 19 6.853 -10.692 3.219 1.00 70.52 C ATOM 324 O LYS A 19 7.142 -10.330 4.350 1.00 21.41 O ATOM 325 CB LYS A 19 4.470 -11.339 2.704 1.00 73.44 C ATOM 326 CG LYS A 19 3.019 -10.856 2.556 1.00 71.41 C ATOM 327 CD LYS A 19 2.006 -11.993 2.792 1.00 34.31 C ATOM 328 CE LYS A 19 0.550 -11.515 2.727 1.00 64.42 C ATOM 329 NZ LYS A 19 -0.404 -12.613 3.040 1.00 51.14 N ATOM 0 H LYS A 19 5.139 -10.258 0.510 1.00 41.34 H new ATOM 0 HA LYS A 19 5.175 -9.344 3.129 1.00 44.43 H new ATOM 0 HB2 LYS A 19 4.668 -12.093 1.942 1.00 73.44 H new ATOM 0 HB3 LYS A 19 4.580 -11.827 3.672 1.00 73.44 H new ATOM 0 HG2 LYS A 19 2.831 -10.050 3.265 1.00 71.41 H new ATOM 0 HG3 LYS A 19 2.874 -10.443 1.558 1.00 71.41 H new ATOM 0 HD2 LYS A 19 2.161 -12.772 2.046 1.00 34.31 H new ATOM 0 HD3 LYS A 19 2.193 -12.443 3.767 1.00 34.31 H new ATOM 0 HE2 LYS A 19 0.404 -10.695 3.430 1.00 64.42 H new ATOM 0 HE3 LYS A 19 0.340 -11.123 1.732 1.00 64.42 H new ATOM 0 HZ1 LYS A 19 -1.320 -12.208 3.319 1.00 51.14 H new ATOM 0 HZ2 LYS A 19 -0.532 -13.212 2.200 1.00 51.14 H new ATOM 0 HZ3 LYS A 19 -0.028 -13.188 3.821 1.00 51.14 H new ATOM 343 N LYS A 20 7.650 -11.471 2.459 1.00 61.32 N ATOM 344 CA LYS A 20 8.939 -12.015 2.946 1.00 40.14 C ATOM 345 C LYS A 20 9.989 -10.901 3.048 1.00 53.50 C ATOM 346 O LYS A 20 10.766 -10.846 4.012 1.00 14.32 O ATOM 347 CB LYS A 20 9.447 -13.158 2.025 1.00 74.25 C ATOM 348 CG LYS A 20 8.482 -14.358 1.917 1.00 75.44 C ATOM 349 CD LYS A 20 8.132 -14.994 3.291 1.00 64.42 C ATOM 350 CE LYS A 20 7.178 -16.193 3.164 1.00 4.30 C ATOM 351 NZ LYS A 20 6.832 -16.766 4.498 1.00 75.35 N ATOM 0 H LYS A 20 7.424 -11.739 1.501 1.00 61.32 H new ATOM 0 HA LYS A 20 8.775 -12.431 3.940 1.00 40.14 H new ATOM 0 HB2 LYS A 20 9.622 -12.755 1.027 1.00 74.25 H new ATOM 0 HB3 LYS A 20 10.408 -13.511 2.399 1.00 74.25 H new ATOM 0 HG2 LYS A 20 7.562 -14.033 1.431 1.00 75.44 H new ATOM 0 HG3 LYS A 20 8.929 -15.118 1.277 1.00 75.44 H new ATOM 0 HD2 LYS A 20 9.050 -15.316 3.782 1.00 64.42 H new ATOM 0 HD3 LYS A 20 7.676 -14.238 3.931 1.00 64.42 H new ATOM 0 HE2 LYS A 20 6.266 -15.881 2.654 1.00 4.30 H new ATOM 0 HE3 LYS A 20 7.641 -16.963 2.546 1.00 4.30 H new ATOM 0 HZ1 LYS A 20 6.187 -17.572 4.373 1.00 75.35 H new ATOM 0 HZ2 LYS A 20 7.699 -17.087 4.974 1.00 75.35 H new ATOM 0 HZ3 LYS A 20 6.368 -16.039 5.078 1.00 75.35 H new ATOM 365 N GLU A 21 10.023 -10.047 2.005 1.00 11.23 N ATOM 366 CA GLU A 21 10.876 -8.839 1.958 1.00 55.20 C ATOM 367 C GLU A 21 10.736 -7.969 3.224 1.00 1.52 C ATOM 368 O GLU A 21 11.740 -7.591 3.842 1.00 1.41 O ATOM 369 CB GLU A 21 10.569 -7.996 0.684 1.00 42.31 C ATOM 370 CG GLU A 21 11.016 -8.645 -0.642 1.00 4.11 C ATOM 371 CD GLU A 21 12.516 -8.991 -0.686 1.00 71.10 C ATOM 372 OE1 GLU A 21 13.337 -8.094 -0.464 1.00 11.01 O ATOM 373 OE2 GLU A 21 12.878 -10.164 -0.905 1.00 24.43 O ATOM 0 H GLU A 21 9.457 -10.176 1.166 1.00 11.23 H new ATOM 0 HA GLU A 21 11.909 -9.184 1.916 1.00 55.20 H new ATOM 0 HB2 GLU A 21 9.496 -7.810 0.638 1.00 42.31 H new ATOM 0 HB3 GLU A 21 11.057 -7.026 0.781 1.00 42.31 H new ATOM 0 HG2 GLU A 21 10.437 -9.554 -0.805 1.00 4.11 H new ATOM 0 HG3 GLU A 21 10.784 -7.968 -1.464 1.00 4.11 H new ATOM 380 N VAL A 22 9.489 -7.702 3.615 1.00 62.42 N ATOM 381 CA VAL A 22 9.174 -6.796 4.729 1.00 0.20 C ATOM 382 C VAL A 22 9.092 -7.552 6.069 1.00 30.53 C ATOM 383 O VAL A 22 9.119 -6.929 7.132 1.00 45.51 O ATOM 384 CB VAL A 22 7.846 -6.008 4.441 1.00 25.51 C ATOM 385 CG1 VAL A 22 7.885 -5.378 3.028 1.00 43.12 C ATOM 386 CG2 VAL A 22 6.598 -6.895 4.602 1.00 54.34 C ATOM 0 H VAL A 22 8.665 -8.107 3.170 1.00 62.42 H new ATOM 0 HA VAL A 22 9.988 -6.076 4.814 1.00 0.20 H new ATOM 0 HB VAL A 22 7.775 -5.212 5.183 1.00 25.51 H new ATOM 0 HG11 VAL A 22 6.957 -4.836 2.846 1.00 43.12 H new ATOM 0 HG12 VAL A 22 8.727 -4.689 2.960 1.00 43.12 H new ATOM 0 HG13 VAL A 22 7.998 -6.165 2.282 1.00 43.12 H new ATOM 0 HG21 VAL A 22 5.704 -6.307 4.393 1.00 54.34 H new ATOM 0 HG22 VAL A 22 6.654 -7.731 3.905 1.00 54.34 H new ATOM 0 HG23 VAL A 22 6.551 -7.276 5.622 1.00 54.34 H new ATOM 396 N GLU A 23 8.998 -8.898 6.002 1.00 64.03 N ATOM 397 CA GLU A 23 9.039 -9.777 7.193 1.00 11.43 C ATOM 398 C GLU A 23 10.400 -9.630 7.892 1.00 43.35 C ATOM 399 O GLU A 23 10.490 -9.515 9.122 1.00 43.14 O ATOM 400 CB GLU A 23 8.822 -11.259 6.773 1.00 51.34 C ATOM 401 CG GLU A 23 8.628 -12.248 7.941 1.00 23.12 C ATOM 402 CD GLU A 23 7.300 -12.044 8.687 1.00 23.40 C ATOM 403 OE1 GLU A 23 7.245 -11.228 9.628 1.00 72.41 O ATOM 404 OE2 GLU A 23 6.292 -12.676 8.320 1.00 72.43 O ATOM 0 H GLU A 23 8.892 -9.405 5.124 1.00 64.03 H new ATOM 0 HA GLU A 23 8.244 -9.485 7.879 1.00 11.43 H new ATOM 0 HB2 GLU A 23 7.948 -11.312 6.123 1.00 51.34 H new ATOM 0 HB3 GLU A 23 9.679 -11.582 6.182 1.00 51.34 H new ATOM 0 HG2 GLU A 23 8.670 -13.267 7.557 1.00 23.12 H new ATOM 0 HG3 GLU A 23 9.454 -12.138 8.644 1.00 23.12 H new ATOM 411 N ASN A 24 11.447 -9.595 7.048 1.00 75.24 N ATOM 412 CA ASN A 24 12.843 -9.382 7.466 1.00 22.12 C ATOM 413 C ASN A 24 13.044 -7.958 8.030 1.00 21.41 C ATOM 414 O ASN A 24 13.955 -7.726 8.829 1.00 1.34 O ATOM 415 CB ASN A 24 13.790 -9.630 6.257 1.00 72.34 C ATOM 416 CG ASN A 24 13.762 -11.073 5.743 1.00 30.34 C ATOM 417 OD1 ASN A 24 13.523 -12.014 6.499 1.00 42.03 O ATOM 418 ND2 ASN A 24 14.003 -11.258 4.454 1.00 33.13 N ATOM 0 H ASN A 24 11.344 -9.716 6.040 1.00 75.24 H new ATOM 0 HA ASN A 24 13.082 -10.088 8.261 1.00 22.12 H new ATOM 0 HB2 ASN A 24 13.512 -8.958 5.445 1.00 72.34 H new ATOM 0 HB3 ASN A 24 14.810 -9.376 6.547 1.00 72.34 H new ATOM 0 HD21 ASN A 24 13.994 -12.200 4.063 1.00 33.13 H new ATOM 0 HD22 ASN A 24 14.198 -10.458 3.852 1.00 33.13 H new ATOM 425 N GLN A 25 12.180 -7.019 7.599 1.00 74.11 N ATOM 426 CA GLN A 25 12.216 -5.602 8.026 1.00 20.44 C ATOM 427 C GLN A 25 11.314 -5.343 9.256 1.00 2.04 C ATOM 428 O GLN A 25 11.283 -4.219 9.769 1.00 65.44 O ATOM 429 CB GLN A 25 11.777 -4.694 6.845 1.00 73.43 C ATOM 430 CG GLN A 25 12.637 -4.814 5.579 1.00 52.31 C ATOM 431 CD GLN A 25 14.084 -4.375 5.779 1.00 73.21 C ATOM 432 OE1 GLN A 25 14.408 -3.197 5.655 1.00 20.55 O ATOM 433 NE2 GLN A 25 14.966 -5.318 6.069 1.00 63.02 N ATOM 0 H GLN A 25 11.430 -7.222 6.939 1.00 74.11 H new ATOM 0 HA GLN A 25 13.239 -5.366 8.318 1.00 20.44 H new ATOM 0 HB2 GLN A 25 10.745 -4.931 6.588 1.00 73.43 H new ATOM 0 HB3 GLN A 25 11.792 -3.657 7.179 1.00 73.43 H new ATOM 0 HG2 GLN A 25 12.624 -5.849 5.238 1.00 52.31 H new ATOM 0 HG3 GLN A 25 12.190 -4.212 4.788 1.00 52.31 H new ATOM 0 HE21 GLN A 25 14.663 -6.287 6.165 1.00 63.02 H new ATOM 0 HE22 GLN A 25 15.949 -5.076 6.197 1.00 63.02 H new ATOM 442 N GLY A 26 10.596 -6.383 9.720 1.00 30.34 N ATOM 443 CA GLY A 26 9.702 -6.274 10.878 1.00 74.21 C ATOM 444 C GLY A 26 8.443 -5.436 10.648 1.00 73.42 C ATOM 445 O GLY A 26 7.982 -4.754 11.562 1.00 13.12 O ATOM 0 H GLY A 26 10.622 -7.314 9.303 1.00 30.34 H new ATOM 0 HA2 GLY A 26 9.402 -7.277 11.182 1.00 74.21 H new ATOM 0 HA3 GLY A 26 10.260 -5.843 11.709 1.00 74.21 H new ATOM 449 N TYR A 27 7.891 -5.486 9.429 1.00 53.31 N ATOM 450 CA TYR A 27 6.596 -4.846 9.096 1.00 11.54 C ATOM 451 C TYR A 27 5.509 -5.926 9.049 1.00 60.14 C ATOM 452 O TYR A 27 5.660 -6.915 8.320 1.00 63.41 O ATOM 453 CB TYR A 27 6.662 -4.094 7.735 1.00 24.51 C ATOM 454 CG TYR A 27 7.461 -2.779 7.769 1.00 21.11 C ATOM 455 CD1 TYR A 27 8.850 -2.785 7.873 1.00 41.23 C ATOM 456 CD2 TYR A 27 6.821 -1.535 7.705 1.00 4.33 C ATOM 457 CE1 TYR A 27 9.576 -1.610 7.912 1.00 33.30 C ATOM 458 CE2 TYR A 27 7.545 -0.356 7.747 1.00 25.21 C ATOM 459 CZ TYR A 27 8.924 -0.400 7.848 1.00 54.11 C ATOM 460 OH TYR A 27 9.647 0.778 7.907 1.00 70.50 O ATOM 0 H TYR A 27 8.323 -5.969 8.641 1.00 53.31 H new ATOM 0 HA TYR A 27 6.362 -4.109 9.864 1.00 11.54 H new ATOM 0 HB2 TYR A 27 7.106 -4.755 6.991 1.00 24.51 H new ATOM 0 HB3 TYR A 27 5.646 -3.878 7.404 1.00 24.51 H new ATOM 0 HD1 TYR A 27 9.371 -3.729 7.924 1.00 41.23 H new ATOM 0 HD2 TYR A 27 5.745 -1.495 7.622 1.00 4.33 H new ATOM 0 HE1 TYR A 27 10.653 -1.641 7.993 1.00 33.30 H new ATOM 0 HE2 TYR A 27 7.035 0.595 7.701 1.00 25.21 H new ATOM 0 HH TYR A 27 9.035 1.541 7.848 1.00 70.50 H new ATOM 470 N GLN A 28 4.426 -5.739 9.827 1.00 41.32 N ATOM 471 CA GLN A 28 3.319 -6.707 9.886 1.00 3.31 C ATOM 472 C GLN A 28 2.375 -6.470 8.705 1.00 12.11 C ATOM 473 O GLN A 28 1.792 -5.388 8.581 1.00 42.23 O ATOM 474 CB GLN A 28 2.540 -6.590 11.224 1.00 50.34 C ATOM 475 CG GLN A 28 3.429 -6.530 12.475 1.00 0.42 C ATOM 476 CD GLN A 28 4.437 -7.676 12.623 1.00 23.30 C ATOM 477 OE1 GLN A 28 4.203 -8.808 12.199 1.00 32.42 O ATOM 478 NE2 GLN A 28 5.585 -7.377 13.218 1.00 62.23 N ATOM 0 H GLN A 28 4.296 -4.923 10.425 1.00 41.32 H new ATOM 0 HA GLN A 28 3.734 -7.713 9.829 1.00 3.31 H new ATOM 0 HB2 GLN A 28 1.919 -5.695 11.191 1.00 50.34 H new ATOM 0 HB3 GLN A 28 1.866 -7.442 11.313 1.00 50.34 H new ATOM 0 HG2 GLN A 28 3.976 -5.587 12.466 1.00 0.42 H new ATOM 0 HG3 GLN A 28 2.787 -6.518 13.356 1.00 0.42 H new ATOM 0 HE21 GLN A 28 5.751 -6.430 13.559 1.00 62.23 H new ATOM 0 HE22 GLN A 28 6.301 -8.094 13.334 1.00 62.23 H new ATOM 487 N VAL A 29 2.233 -7.483 7.846 1.00 74.04 N ATOM 488 CA VAL A 29 1.409 -7.390 6.627 1.00 34.34 C ATOM 489 C VAL A 29 -0.042 -7.787 6.932 1.00 55.04 C ATOM 490 O VAL A 29 -0.291 -8.705 7.711 1.00 40.51 O ATOM 491 CB VAL A 29 1.939 -8.303 5.462 1.00 32.44 C ATOM 492 CG1 VAL A 29 1.148 -8.057 4.151 1.00 71.44 C ATOM 493 CG2 VAL A 29 3.432 -8.076 5.232 1.00 41.44 C ATOM 0 H VAL A 29 2.682 -8.390 7.971 1.00 74.04 H new ATOM 0 HA VAL A 29 1.466 -6.352 6.300 1.00 34.34 H new ATOM 0 HB VAL A 29 1.787 -9.340 5.760 1.00 32.44 H new ATOM 0 HG11 VAL A 29 1.538 -8.703 3.364 1.00 71.44 H new ATOM 0 HG12 VAL A 29 0.094 -8.280 4.315 1.00 71.44 H new ATOM 0 HG13 VAL A 29 1.256 -7.015 3.851 1.00 71.44 H new ATOM 0 HG21 VAL A 29 3.777 -8.718 4.422 1.00 41.44 H new ATOM 0 HG22 VAL A 29 3.605 -7.033 4.967 1.00 41.44 H new ATOM 0 HG23 VAL A 29 3.981 -8.315 6.143 1.00 41.44 H new ATOM 503 N ARG A 30 -0.975 -7.070 6.311 1.00 24.02 N ATOM 504 CA ARG A 30 -2.392 -7.416 6.245 1.00 73.43 C ATOM 505 C ARG A 30 -2.770 -7.423 4.771 1.00 13.12 C ATOM 506 O ARG A 30 -2.327 -6.556 4.028 1.00 61.12 O ATOM 507 CB ARG A 30 -3.261 -6.384 7.017 1.00 44.30 C ATOM 508 CG ARG A 30 -2.969 -6.301 8.530 1.00 14.10 C ATOM 509 CD ARG A 30 -3.240 -7.630 9.256 1.00 2.53 C ATOM 510 NE ARG A 30 -3.040 -7.518 10.710 1.00 53.41 N ATOM 511 CZ ARG A 30 -4.024 -7.468 11.622 1.00 74.14 C ATOM 512 NH1 ARG A 30 -5.300 -7.509 11.249 1.00 31.32 N ATOM 513 NH2 ARG A 30 -3.721 -7.373 12.901 1.00 44.22 N ATOM 0 H ARG A 30 -0.757 -6.201 5.823 1.00 24.02 H new ATOM 0 HA ARG A 30 -2.569 -8.387 6.707 1.00 73.43 H new ATOM 0 HB2 ARG A 30 -3.108 -5.399 6.576 1.00 44.30 H new ATOM 0 HB3 ARG A 30 -4.312 -6.637 6.877 1.00 44.30 H new ATOM 0 HG2 ARG A 30 -1.928 -6.014 8.681 1.00 14.10 H new ATOM 0 HG3 ARG A 30 -3.583 -5.517 8.973 1.00 14.10 H new ATOM 0 HD2 ARG A 30 -4.262 -7.950 9.055 1.00 2.53 H new ATOM 0 HD3 ARG A 30 -2.580 -8.401 8.858 1.00 2.53 H new ATOM 0 HE ARG A 30 -2.080 -7.475 11.051 1.00 53.41 H new ATOM 0 HH11 ARG A 30 -5.540 -7.579 10.260 1.00 31.32 H new ATOM 0 HH12 ARG A 30 -6.038 -7.470 11.952 1.00 31.32 H new ATOM 0 HH21 ARG A 30 -2.744 -7.338 13.192 1.00 44.22 H new ATOM 0 HH22 ARG A 30 -4.463 -7.335 13.599 1.00 44.22 H new ATOM 527 N ASP A 31 -3.548 -8.407 4.341 1.00 22.32 N ATOM 528 CA ASP A 31 -4.057 -8.482 2.959 1.00 3.22 C ATOM 529 C ASP A 31 -5.584 -8.517 3.024 1.00 52.25 C ATOM 530 O ASP A 31 -6.167 -9.340 3.733 1.00 73.15 O ATOM 531 CB ASP A 31 -3.471 -9.699 2.186 1.00 24.11 C ATOM 532 CG ASP A 31 -3.729 -11.049 2.872 1.00 11.13 C ATOM 533 OD1 ASP A 31 -2.975 -11.410 3.794 1.00 60.11 O ATOM 534 OD2 ASP A 31 -4.675 -11.764 2.490 1.00 12.43 O ATOM 0 H ASP A 31 -3.850 -9.181 4.933 1.00 22.32 H new ATOM 0 HA ASP A 31 -3.735 -7.605 2.397 1.00 3.22 H new ATOM 0 HB2 ASP A 31 -3.900 -9.723 1.184 1.00 24.11 H new ATOM 0 HB3 ASP A 31 -2.396 -9.560 2.069 1.00 24.11 H new ATOM 539 N VAL A 32 -6.221 -7.597 2.293 1.00 12.22 N ATOM 540 CA VAL A 32 -7.663 -7.347 2.373 1.00 42.44 C ATOM 541 C VAL A 32 -8.356 -7.936 1.137 1.00 33.14 C ATOM 542 O VAL A 32 -8.102 -7.501 0.006 1.00 63.44 O ATOM 543 CB VAL A 32 -7.942 -5.801 2.482 1.00 15.44 C ATOM 544 CG1 VAL A 32 -9.451 -5.495 2.471 1.00 74.03 C ATOM 545 CG2 VAL A 32 -7.271 -5.215 3.751 1.00 35.44 C ATOM 0 H VAL A 32 -5.743 -6.997 1.620 1.00 12.22 H new ATOM 0 HA VAL A 32 -8.063 -7.829 3.265 1.00 42.44 H new ATOM 0 HB VAL A 32 -7.505 -5.323 1.606 1.00 15.44 H new ATOM 0 HG11 VAL A 32 -9.605 -4.419 2.548 1.00 74.03 H new ATOM 0 HG12 VAL A 32 -9.889 -5.859 1.542 1.00 74.03 H new ATOM 0 HG13 VAL A 32 -9.929 -5.991 3.316 1.00 74.03 H new ATOM 0 HG21 VAL A 32 -7.475 -4.146 3.809 1.00 35.44 H new ATOM 0 HG22 VAL A 32 -7.672 -5.710 4.636 1.00 35.44 H new ATOM 0 HG23 VAL A 32 -6.194 -5.377 3.701 1.00 35.44 H new ATOM 555 N ASN A 33 -9.213 -8.944 1.364 1.00 1.11 N ATOM 556 CA ASN A 33 -10.003 -9.594 0.297 1.00 55.31 C ATOM 557 C ASN A 33 -11.430 -9.032 0.228 1.00 31.21 C ATOM 558 O ASN A 33 -12.114 -9.204 -0.789 1.00 13.54 O ATOM 559 CB ASN A 33 -10.050 -11.124 0.545 1.00 21.23 C ATOM 560 CG ASN A 33 -8.678 -11.794 0.502 1.00 73.44 C ATOM 561 OD1 ASN A 33 -7.777 -11.348 -0.205 1.00 50.30 O ATOM 562 ND2 ASN A 33 -8.514 -12.866 1.265 1.00 35.53 N ATOM 0 H ASN A 33 -9.380 -9.334 2.291 1.00 1.11 H new ATOM 0 HA ASN A 33 -9.518 -9.388 -0.657 1.00 55.31 H new ATOM 0 HB2 ASN A 33 -10.506 -11.312 1.517 1.00 21.23 H new ATOM 0 HB3 ASN A 33 -10.694 -11.585 -0.204 1.00 21.23 H new ATOM 0 HD21 ASN A 33 -7.616 -13.350 1.278 1.00 35.53 H new ATOM 0 HD22 ASN A 33 -9.286 -13.207 1.839 1.00 35.53 H new ATOM 569 N ASP A 34 -11.880 -8.357 1.296 1.00 61.24 N ATOM 570 CA ASP A 34 -13.281 -7.907 1.415 1.00 1.33 C ATOM 571 C ASP A 34 -13.369 -6.567 2.166 1.00 21.21 C ATOM 572 O ASP A 34 -12.495 -6.243 2.970 1.00 45.42 O ATOM 573 CB ASP A 34 -14.108 -9.008 2.137 1.00 12.41 C ATOM 574 CG ASP A 34 -15.597 -8.656 2.296 1.00 60.43 C ATOM 575 OD1 ASP A 34 -16.301 -8.567 1.271 1.00 54.11 O ATOM 576 OD2 ASP A 34 -16.046 -8.413 3.432 1.00 31.42 O ATOM 0 H ASP A 34 -11.295 -8.109 2.094 1.00 61.24 H new ATOM 0 HA ASP A 34 -13.692 -7.745 0.419 1.00 1.33 H new ATOM 0 HB2 ASP A 34 -14.021 -9.940 1.579 1.00 12.41 H new ATOM 0 HB3 ASP A 34 -13.678 -9.186 3.123 1.00 12.41 H new ATOM 581 N SER A 35 -14.443 -5.810 1.884 1.00 24.32 N ATOM 582 CA SER A 35 -14.730 -4.509 2.513 1.00 71.52 C ATOM 583 C SER A 35 -14.779 -4.590 4.048 1.00 35.12 C ATOM 584 O SER A 35 -14.159 -3.778 4.727 1.00 70.43 O ATOM 585 CB SER A 35 -16.065 -3.963 1.955 1.00 41.54 C ATOM 586 OG SER A 35 -17.084 -4.953 1.997 1.00 62.53 O ATOM 0 H SER A 35 -15.148 -6.089 1.201 1.00 24.32 H new ATOM 0 HA SER A 35 -13.914 -3.830 2.268 1.00 71.52 H new ATOM 0 HB2 SER A 35 -16.375 -3.093 2.534 1.00 41.54 H new ATOM 0 HB3 SER A 35 -15.923 -3.628 0.928 1.00 41.54 H new ATOM 0 HG SER A 35 -17.917 -4.580 1.640 1.00 62.53 H new ATOM 592 N ASP A 36 -15.497 -5.591 4.579 1.00 24.20 N ATOM 593 CA ASP A 36 -15.649 -5.773 6.034 1.00 43.24 C ATOM 594 C ASP A 36 -14.290 -6.050 6.704 1.00 34.24 C ATOM 595 O ASP A 36 -14.062 -5.609 7.831 1.00 42.12 O ATOM 596 CB ASP A 36 -16.659 -6.904 6.339 1.00 75.22 C ATOM 597 CG ASP A 36 -18.094 -6.555 5.917 1.00 72.14 C ATOM 598 OD1 ASP A 36 -18.425 -6.670 4.726 1.00 40.11 O ATOM 599 OD2 ASP A 36 -18.899 -6.143 6.773 1.00 63.03 O ATOM 0 H ASP A 36 -15.985 -6.291 4.020 1.00 24.20 H new ATOM 0 HA ASP A 36 -16.040 -4.845 6.452 1.00 43.24 H new ATOM 0 HB2 ASP A 36 -16.345 -7.812 5.825 1.00 75.22 H new ATOM 0 HB3 ASP A 36 -16.642 -7.120 7.407 1.00 75.22 H new ATOM 604 N GLU A 37 -13.392 -6.753 5.977 1.00 60.04 N ATOM 605 CA GLU A 37 -12.010 -7.000 6.430 1.00 64.43 C ATOM 606 C GLU A 37 -11.271 -5.674 6.601 1.00 42.53 C ATOM 607 O GLU A 37 -10.757 -5.399 7.673 1.00 34.55 O ATOM 608 CB GLU A 37 -11.254 -7.912 5.430 1.00 35.00 C ATOM 609 CG GLU A 37 -11.856 -9.319 5.287 1.00 52.45 C ATOM 610 CD GLU A 37 -11.839 -10.139 6.592 1.00 33.15 C ATOM 611 OE1 GLU A 37 -10.782 -10.709 6.935 1.00 1.44 O ATOM 612 OE2 GLU A 37 -12.877 -10.214 7.284 1.00 72.12 O ATOM 0 H GLU A 37 -13.606 -7.161 5.067 1.00 60.04 H new ATOM 0 HA GLU A 37 -12.050 -7.512 7.392 1.00 64.43 H new ATOM 0 HB2 GLU A 37 -11.244 -7.431 4.452 1.00 35.00 H new ATOM 0 HB3 GLU A 37 -10.216 -8.003 5.751 1.00 35.00 H new ATOM 0 HG2 GLU A 37 -12.885 -9.230 4.938 1.00 52.45 H new ATOM 0 HG3 GLU A 37 -11.305 -9.863 4.520 1.00 52.45 H new ATOM 619 N LEU A 38 -11.324 -4.836 5.545 1.00 11.15 N ATOM 620 CA LEU A 38 -10.706 -3.488 5.509 1.00 41.54 C ATOM 621 C LEU A 38 -11.090 -2.674 6.755 1.00 4.41 C ATOM 622 O LEU A 38 -10.234 -2.080 7.418 1.00 15.33 O ATOM 623 CB LEU A 38 -11.192 -2.784 4.211 1.00 31.20 C ATOM 624 CG LEU A 38 -10.667 -1.340 3.890 1.00 53.42 C ATOM 625 CD1 LEU A 38 -10.773 -1.087 2.391 1.00 12.40 C ATOM 626 CD2 LEU A 38 -11.448 -0.222 4.627 1.00 30.23 C ATOM 0 H LEU A 38 -11.804 -5.078 4.678 1.00 11.15 H new ATOM 0 HA LEU A 38 -9.619 -3.570 5.509 1.00 41.54 H new ATOM 0 HB2 LEU A 38 -10.929 -3.425 3.370 1.00 31.20 H new ATOM 0 HB3 LEU A 38 -12.280 -2.738 4.248 1.00 31.20 H new ATOM 0 HG LEU A 38 -9.634 -1.303 4.236 1.00 53.42 H new ATOM 0 HD11 LEU A 38 -10.409 -0.085 2.165 1.00 12.40 H new ATOM 0 HD12 LEU A 38 -10.172 -1.821 1.855 1.00 12.40 H new ATOM 0 HD13 LEU A 38 -11.814 -1.174 2.080 1.00 12.40 H new ATOM 0 HD21 LEU A 38 -11.032 0.749 4.359 1.00 30.23 H new ATOM 0 HD22 LEU A 38 -12.498 -0.260 4.337 1.00 30.23 H new ATOM 0 HD23 LEU A 38 -11.364 -0.368 5.704 1.00 30.23 H new ATOM 638 N LYS A 39 -12.395 -2.691 7.056 1.00 53.24 N ATOM 639 CA LYS A 39 -12.984 -1.891 8.130 1.00 73.23 C ATOM 640 C LYS A 39 -12.616 -2.455 9.517 1.00 23.23 C ATOM 641 O LYS A 39 -12.583 -1.702 10.489 1.00 23.24 O ATOM 642 CB LYS A 39 -14.517 -1.786 7.919 1.00 74.32 C ATOM 643 CG LYS A 39 -14.888 -1.260 6.508 1.00 73.53 C ATOM 644 CD LYS A 39 -16.380 -0.888 6.352 1.00 74.13 C ATOM 645 CE LYS A 39 -16.715 0.524 6.869 1.00 35.23 C ATOM 646 NZ LYS A 39 -16.021 1.577 6.072 1.00 32.45 N ATOM 0 H LYS A 39 -13.074 -3.265 6.556 1.00 53.24 H new ATOM 0 HA LYS A 39 -12.570 -0.883 8.095 1.00 73.23 H new ATOM 0 HB2 LYS A 39 -14.969 -2.767 8.068 1.00 74.32 H new ATOM 0 HB3 LYS A 39 -14.940 -1.122 8.673 1.00 74.32 H new ATOM 0 HG2 LYS A 39 -14.280 -0.383 6.286 1.00 73.53 H new ATOM 0 HG3 LYS A 39 -14.634 -2.020 5.769 1.00 73.53 H new ATOM 0 HD2 LYS A 39 -16.656 -0.957 5.300 1.00 74.13 H new ATOM 0 HD3 LYS A 39 -16.987 -1.617 6.889 1.00 74.13 H new ATOM 0 HE2 LYS A 39 -17.792 0.683 6.824 1.00 35.23 H new ATOM 0 HE3 LYS A 39 -16.424 0.608 7.916 1.00 35.23 H new ATOM 0 HZ1 LYS A 39 -15.414 2.143 6.699 1.00 32.45 H new ATOM 0 HZ2 LYS A 39 -15.438 1.128 5.337 1.00 32.45 H new ATOM 0 HZ3 LYS A 39 -16.727 2.195 5.624 1.00 32.45 H new ATOM 660 N LYS A 40 -12.324 -3.776 9.590 1.00 31.44 N ATOM 661 CA LYS A 40 -11.778 -4.413 10.810 1.00 43.53 C ATOM 662 C LYS A 40 -10.331 -3.956 11.048 1.00 4.32 C ATOM 663 O LYS A 40 -9.954 -3.687 12.192 1.00 22.14 O ATOM 664 CB LYS A 40 -11.809 -5.969 10.723 1.00 3.23 C ATOM 665 CG LYS A 40 -13.206 -6.616 10.731 1.00 62.23 C ATOM 666 CD LYS A 40 -14.015 -6.319 12.015 1.00 63.13 C ATOM 667 CE LYS A 40 -15.317 -7.138 12.079 1.00 70.01 C ATOM 668 NZ LYS A 40 -16.172 -6.927 10.881 1.00 42.42 N ATOM 0 H LYS A 40 -12.459 -4.423 8.813 1.00 31.44 H new ATOM 0 HA LYS A 40 -12.412 -4.103 11.641 1.00 43.53 H new ATOM 0 HB2 LYS A 40 -11.295 -6.273 9.811 1.00 3.23 H new ATOM 0 HB3 LYS A 40 -11.239 -6.372 11.560 1.00 3.23 H new ATOM 0 HG2 LYS A 40 -13.767 -6.261 9.867 1.00 62.23 H new ATOM 0 HG3 LYS A 40 -13.099 -7.695 10.620 1.00 62.23 H new ATOM 0 HD2 LYS A 40 -13.403 -6.542 12.889 1.00 63.13 H new ATOM 0 HD3 LYS A 40 -14.253 -5.256 12.056 1.00 63.13 H new ATOM 0 HE2 LYS A 40 -15.074 -8.197 12.168 1.00 70.01 H new ATOM 0 HE3 LYS A 40 -15.874 -6.862 12.974 1.00 70.01 H new ATOM 0 HZ1 LYS A 40 -17.067 -7.444 10.998 1.00 42.42 H new ATOM 0 HZ2 LYS A 40 -16.370 -5.912 10.770 1.00 42.42 H new ATOM 0 HZ3 LYS A 40 -15.678 -7.277 10.036 1.00 42.42 H new ATOM 682 N GLU A 41 -9.535 -3.885 9.952 1.00 24.21 N ATOM 683 CA GLU A 41 -8.104 -3.516 10.020 1.00 43.04 C ATOM 684 C GLU A 41 -7.938 -2.120 10.633 1.00 65.51 C ATOM 685 O GLU A 41 -7.087 -1.919 11.482 1.00 43.05 O ATOM 686 CB GLU A 41 -7.419 -3.563 8.616 1.00 2.53 C ATOM 687 CG GLU A 41 -7.677 -4.845 7.797 1.00 13.04 C ATOM 688 CD GLU A 41 -7.493 -6.166 8.581 1.00 72.23 C ATOM 689 OE1 GLU A 41 -6.346 -6.599 8.761 1.00 35.40 O ATOM 690 OE2 GLU A 41 -8.500 -6.791 8.983 1.00 34.41 O ATOM 0 H GLU A 41 -9.865 -4.080 9.007 1.00 24.21 H new ATOM 0 HA GLU A 41 -7.613 -4.252 10.656 1.00 43.04 H new ATOM 0 HB2 GLU A 41 -7.760 -2.706 8.035 1.00 2.53 H new ATOM 0 HB3 GLU A 41 -6.343 -3.449 8.751 1.00 2.53 H new ATOM 0 HG2 GLU A 41 -8.694 -4.810 7.405 1.00 13.04 H new ATOM 0 HG3 GLU A 41 -7.005 -4.852 6.939 1.00 13.04 H new ATOM 697 N MET A 42 -8.815 -1.188 10.213 1.00 14.52 N ATOM 698 CA MET A 42 -8.834 0.208 10.711 1.00 60.33 C ATOM 699 C MET A 42 -9.073 0.284 12.216 1.00 14.21 C ATOM 700 O MET A 42 -8.528 1.158 12.901 1.00 64.42 O ATOM 701 CB MET A 42 -9.917 1.021 9.977 1.00 62.35 C ATOM 702 CG MET A 42 -9.615 1.183 8.505 1.00 34.12 C ATOM 703 SD MET A 42 -8.024 1.994 8.260 1.00 71.12 S ATOM 704 CE MET A 42 -7.735 1.626 6.543 1.00 33.22 C ATOM 0 H MET A 42 -9.535 -1.379 9.516 1.00 14.52 H new ATOM 0 HA MET A 42 -7.850 0.631 10.509 1.00 60.33 H new ATOM 0 HB2 MET A 42 -10.881 0.527 10.095 1.00 62.35 H new ATOM 0 HB3 MET A 42 -10.004 2.005 10.438 1.00 62.35 H new ATOM 0 HG2 MET A 42 -9.608 0.206 8.022 1.00 34.12 H new ATOM 0 HG3 MET A 42 -10.403 1.768 8.030 1.00 34.12 H new ATOM 0 HE1 MET A 42 -6.695 1.332 6.404 1.00 33.22 H new ATOM 0 HE2 MET A 42 -8.387 0.810 6.231 1.00 33.22 H new ATOM 0 HE3 MET A 42 -7.946 2.510 5.941 1.00 33.22 H new ATOM 714 N LYS A 43 -9.913 -0.629 12.705 1.00 74.52 N ATOM 715 CA LYS A 43 -10.236 -0.740 14.126 1.00 71.32 C ATOM 716 C LYS A 43 -9.016 -1.232 14.910 1.00 43.02 C ATOM 717 O LYS A 43 -8.764 -0.759 16.007 1.00 4.11 O ATOM 718 CB LYS A 43 -11.452 -1.680 14.306 1.00 11.12 C ATOM 719 CG LYS A 43 -12.748 -1.096 13.699 1.00 74.31 C ATOM 720 CD LYS A 43 -13.878 -2.133 13.536 1.00 12.11 C ATOM 721 CE LYS A 43 -15.172 -1.508 12.986 1.00 12.50 C ATOM 722 NZ LYS A 43 -14.943 -0.721 11.741 1.00 32.40 N ATOM 0 H LYS A 43 -10.391 -1.316 12.122 1.00 74.52 H new ATOM 0 HA LYS A 43 -10.503 0.240 14.521 1.00 71.32 H new ATOM 0 HB2 LYS A 43 -11.237 -2.641 13.838 1.00 11.12 H new ATOM 0 HB3 LYS A 43 -11.606 -1.870 15.368 1.00 11.12 H new ATOM 0 HG2 LYS A 43 -13.102 -0.283 14.333 1.00 74.31 H new ATOM 0 HG3 LYS A 43 -12.520 -0.664 12.725 1.00 74.31 H new ATOM 0 HD2 LYS A 43 -13.546 -2.925 12.865 1.00 12.11 H new ATOM 0 HD3 LYS A 43 -14.083 -2.597 14.500 1.00 12.11 H new ATOM 0 HE2 LYS A 43 -15.896 -2.298 12.784 1.00 12.50 H new ATOM 0 HE3 LYS A 43 -15.610 -0.861 13.746 1.00 12.50 H new ATOM 0 HZ1 LYS A 43 -15.757 -0.835 11.103 1.00 32.40 H new ATOM 0 HZ2 LYS A 43 -14.831 0.284 11.982 1.00 32.40 H new ATOM 0 HZ3 LYS A 43 -14.082 -1.062 11.268 1.00 32.40 H new ATOM 736 N LYS A 44 -8.251 -2.170 14.317 1.00 74.31 N ATOM 737 CA LYS A 44 -7.001 -2.682 14.917 1.00 71.12 C ATOM 738 C LYS A 44 -5.906 -1.593 14.906 1.00 71.14 C ATOM 739 O LYS A 44 -5.089 -1.527 15.815 1.00 24.11 O ATOM 740 CB LYS A 44 -6.509 -3.960 14.171 1.00 3.23 C ATOM 741 CG LYS A 44 -7.555 -5.094 13.977 1.00 54.43 C ATOM 742 CD LYS A 44 -8.208 -5.643 15.289 1.00 71.54 C ATOM 743 CE LYS A 44 -9.543 -4.957 15.645 1.00 31.42 C ATOM 744 NZ LYS A 44 -10.101 -5.426 16.942 1.00 55.24 N ATOM 0 H LYS A 44 -8.479 -2.591 13.416 1.00 74.31 H new ATOM 0 HA LYS A 44 -7.209 -2.952 15.953 1.00 71.12 H new ATOM 0 HB2 LYS A 44 -6.142 -3.662 13.189 1.00 3.23 H new ATOM 0 HB3 LYS A 44 -5.659 -4.369 14.718 1.00 3.23 H new ATOM 0 HG2 LYS A 44 -8.347 -4.726 13.325 1.00 54.43 H new ATOM 0 HG3 LYS A 44 -7.074 -5.923 13.458 1.00 54.43 H new ATOM 0 HD2 LYS A 44 -8.377 -6.714 15.181 1.00 71.54 H new ATOM 0 HD3 LYS A 44 -7.510 -5.512 16.115 1.00 71.54 H new ATOM 0 HE2 LYS A 44 -9.393 -3.878 15.688 1.00 31.42 H new ATOM 0 HE3 LYS A 44 -10.267 -5.147 14.853 1.00 31.42 H new ATOM 0 HZ1 LYS A 44 -10.997 -4.934 17.133 1.00 55.24 H new ATOM 0 HZ2 LYS A 44 -10.272 -6.451 16.896 1.00 55.24 H new ATOM 0 HZ3 LYS A 44 -9.425 -5.222 17.705 1.00 55.24 H new ATOM 758 N LEU A 45 -5.910 -0.747 13.857 1.00 23.23 N ATOM 759 CA LEU A 45 -5.002 0.424 13.741 1.00 2.12 C ATOM 760 C LEU A 45 -5.300 1.476 14.831 1.00 62.43 C ATOM 761 O LEU A 45 -4.406 2.228 15.240 1.00 24.24 O ATOM 762 CB LEU A 45 -5.123 1.065 12.329 1.00 10.03 C ATOM 763 CG LEU A 45 -4.728 0.154 11.123 1.00 42.11 C ATOM 764 CD1 LEU A 45 -4.960 0.856 9.773 1.00 51.30 C ATOM 765 CD2 LEU A 45 -3.278 -0.351 11.243 1.00 73.54 C ATOM 0 H LEU A 45 -6.541 -0.852 13.063 1.00 23.23 H new ATOM 0 HA LEU A 45 -3.981 0.070 13.884 1.00 2.12 H new ATOM 0 HB2 LEU A 45 -6.153 1.392 12.188 1.00 10.03 H new ATOM 0 HB3 LEU A 45 -4.498 1.958 12.303 1.00 10.03 H new ATOM 0 HG LEU A 45 -5.385 -0.715 11.156 1.00 42.11 H new ATOM 0 HD11 LEU A 45 -4.673 0.188 8.961 1.00 51.30 H new ATOM 0 HD12 LEU A 45 -6.014 1.115 9.674 1.00 51.30 H new ATOM 0 HD13 LEU A 45 -4.358 1.763 9.726 1.00 51.30 H new ATOM 0 HD21 LEU A 45 -3.040 -0.981 10.386 1.00 73.54 H new ATOM 0 HD22 LEU A 45 -2.597 0.500 11.268 1.00 73.54 H new ATOM 0 HD23 LEU A 45 -3.169 -0.930 12.160 1.00 73.54 H new ATOM 777 N ALA A 46 -6.565 1.523 15.281 1.00 0.44 N ATOM 778 CA ALA A 46 -7.013 2.442 16.336 1.00 74.14 C ATOM 779 C ALA A 46 -6.688 1.878 17.735 1.00 3.12 C ATOM 780 O ALA A 46 -6.096 2.577 18.565 1.00 10.30 O ATOM 781 CB ALA A 46 -8.519 2.699 16.192 1.00 53.33 C ATOM 0 H ALA A 46 -7.306 0.922 14.921 1.00 0.44 H new ATOM 0 HA ALA A 46 -6.479 3.386 16.227 1.00 74.14 H new ATOM 0 HB1 ALA A 46 -8.848 3.381 16.976 1.00 53.33 H new ATOM 0 HB2 ALA A 46 -8.721 3.142 15.217 1.00 53.33 H new ATOM 0 HB3 ALA A 46 -9.059 1.756 16.281 1.00 53.33 H new ATOM 888 N LYS A 53 4.420 -0.725 12.711 1.00 30.14 N ATOM 889 CA LYS A 53 4.013 -0.267 11.373 1.00 32.44 C ATOM 890 C LYS A 53 3.359 -1.422 10.599 1.00 33.25 C ATOM 891 O LYS A 53 3.924 -2.521 10.507 1.00 50.52 O ATOM 892 CB LYS A 53 5.227 0.292 10.588 1.00 14.41 C ATOM 893 CG LYS A 53 6.000 1.455 11.278 1.00 34.33 C ATOM 894 CD LYS A 53 6.972 0.996 12.390 1.00 2.34 C ATOM 895 CE LYS A 53 8.074 0.062 11.854 1.00 73.42 C ATOM 896 NZ LYS A 53 8.896 0.715 10.798 1.00 53.31 N ATOM 0 HA LYS A 53 3.287 0.537 11.489 1.00 32.44 H new ATOM 0 HB2 LYS A 53 5.925 -0.525 10.404 1.00 14.41 H new ATOM 0 HB3 LYS A 53 4.879 0.639 9.615 1.00 14.41 H new ATOM 0 HG2 LYS A 53 6.563 2.002 10.521 1.00 34.33 H new ATOM 0 HG3 LYS A 53 5.280 2.152 11.705 1.00 34.33 H new ATOM 0 HD2 LYS A 53 7.432 1.870 12.851 1.00 2.34 H new ATOM 0 HD3 LYS A 53 6.411 0.482 13.171 1.00 2.34 H new ATOM 0 HE2 LYS A 53 8.719 -0.246 12.677 1.00 73.42 H new ATOM 0 HE3 LYS A 53 7.618 -0.842 11.451 1.00 73.42 H new ATOM 0 HZ1 LYS A 53 8.692 0.275 9.878 1.00 53.31 H new ATOM 0 HZ2 LYS A 53 8.666 1.728 10.756 1.00 53.31 H new ATOM 0 HZ3 LYS A 53 9.905 0.598 11.022 1.00 53.31 H new ATOM 910 N ILE A 54 2.176 -1.159 10.024 1.00 51.45 N ATOM 911 CA ILE A 54 1.355 -2.187 9.369 1.00 2.53 C ATOM 912 C ILE A 54 1.325 -1.933 7.845 1.00 0.52 C ATOM 913 O ILE A 54 0.836 -0.898 7.386 1.00 23.44 O ATOM 914 CB ILE A 54 -0.115 -2.187 9.949 1.00 24.32 C ATOM 915 CG1 ILE A 54 -0.118 -2.277 11.520 1.00 44.42 C ATOM 916 CG2 ILE A 54 -0.953 -3.327 9.328 1.00 22.40 C ATOM 917 CD1 ILE A 54 0.461 -3.554 12.102 1.00 11.31 C ATOM 0 H ILE A 54 1.762 -0.227 10.000 1.00 51.45 H new ATOM 0 HA ILE A 54 1.797 -3.164 9.565 1.00 2.53 H new ATOM 0 HB ILE A 54 -0.576 -1.238 9.675 1.00 24.32 H new ATOM 0 HG12 ILE A 54 0.443 -1.431 11.916 1.00 44.42 H new ATOM 0 HG13 ILE A 54 -1.145 -2.171 11.871 1.00 44.42 H new ATOM 0 HG21 ILE A 54 -1.961 -3.306 9.743 1.00 22.40 H new ATOM 0 HG22 ILE A 54 -1.003 -3.195 8.247 1.00 22.40 H new ATOM 0 HG23 ILE A 54 -0.487 -4.286 9.555 1.00 22.40 H new ATOM 0 HD11 ILE A 54 0.411 -3.513 13.190 1.00 11.31 H new ATOM 0 HD12 ILE A 54 -0.112 -4.409 11.744 1.00 11.31 H new ATOM 0 HD13 ILE A 54 1.500 -3.657 11.790 1.00 11.31 H new ATOM 929 N LEU A 55 1.880 -2.872 7.071 1.00 21.02 N ATOM 930 CA LEU A 55 1.809 -2.847 5.604 1.00 24.12 C ATOM 931 C LEU A 55 0.474 -3.474 5.181 1.00 13.50 C ATOM 932 O LEU A 55 0.084 -4.496 5.730 1.00 13.53 O ATOM 933 CB LEU A 55 3.037 -3.605 5.019 1.00 63.44 C ATOM 934 CG LEU A 55 3.219 -3.576 3.455 1.00 4.05 C ATOM 935 CD1 LEU A 55 4.695 -3.704 3.070 1.00 53.02 C ATOM 936 CD2 LEU A 55 2.408 -4.680 2.746 1.00 35.41 C ATOM 0 H LEU A 55 2.392 -3.672 7.443 1.00 21.02 H new ATOM 0 HA LEU A 55 1.846 -1.829 5.216 1.00 24.12 H new ATOM 0 HB2 LEU A 55 3.938 -3.191 5.472 1.00 63.44 H new ATOM 0 HB3 LEU A 55 2.973 -4.647 5.333 1.00 63.44 H new ATOM 0 HG LEU A 55 2.838 -2.611 3.122 1.00 4.05 H new ATOM 0 HD11 LEU A 55 4.791 -3.681 1.984 1.00 53.02 H new ATOM 0 HD12 LEU A 55 5.257 -2.876 3.502 1.00 53.02 H new ATOM 0 HD13 LEU A 55 5.090 -4.647 3.449 1.00 53.02 H new ATOM 0 HD21 LEU A 55 2.569 -4.615 1.670 1.00 35.41 H new ATOM 0 HD22 LEU A 55 2.733 -5.657 3.104 1.00 35.41 H new ATOM 0 HD23 LEU A 55 1.348 -4.549 2.963 1.00 35.41 H new ATOM 948 N ILE A 56 -0.240 -2.844 4.234 1.00 34.23 N ATOM 949 CA ILE A 56 -1.511 -3.368 3.705 1.00 34.05 C ATOM 950 C ILE A 56 -1.357 -3.689 2.195 1.00 30.55 C ATOM 951 O ILE A 56 -0.781 -2.905 1.441 1.00 52.34 O ATOM 952 CB ILE A 56 -2.703 -2.347 3.889 1.00 62.44 C ATOM 953 CG1 ILE A 56 -2.788 -1.761 5.346 1.00 44.33 C ATOM 954 CG2 ILE A 56 -4.052 -3.000 3.485 1.00 44.12 C ATOM 955 CD1 ILE A 56 -3.205 -2.743 6.423 1.00 51.32 C ATOM 0 H ILE A 56 0.046 -1.960 3.814 1.00 34.23 H new ATOM 0 HA ILE A 56 -1.747 -4.270 4.270 1.00 34.05 H new ATOM 0 HB ILE A 56 -2.499 -1.508 3.224 1.00 62.44 H new ATOM 0 HG12 ILE A 56 -1.814 -1.351 5.611 1.00 44.33 H new ATOM 0 HG13 ILE A 56 -3.494 -0.930 5.344 1.00 44.33 H new ATOM 0 HG21 ILE A 56 -4.859 -2.280 3.619 1.00 44.12 H new ATOM 0 HG22 ILE A 56 -4.009 -3.307 2.440 1.00 44.12 H new ATOM 0 HG23 ILE A 56 -4.236 -3.873 4.112 1.00 44.12 H new ATOM 0 HD11 ILE A 56 -3.231 -2.236 7.387 1.00 51.32 H new ATOM 0 HD12 ILE A 56 -4.195 -3.137 6.193 1.00 51.32 H new ATOM 0 HD13 ILE A 56 -2.489 -3.564 6.464 1.00 51.32 H new ATOM 967 N ILE A 57 -1.873 -4.856 1.780 1.00 72.13 N ATOM 968 CA ILE A 57 -1.998 -5.266 0.378 1.00 15.34 C ATOM 969 C ILE A 57 -3.502 -5.393 0.069 1.00 45.11 C ATOM 970 O ILE A 57 -4.261 -5.903 0.893 1.00 23.21 O ATOM 971 CB ILE A 57 -1.262 -6.639 0.104 1.00 1.51 C ATOM 972 CG1 ILE A 57 0.255 -6.536 0.475 1.00 44.41 C ATOM 973 CG2 ILE A 57 -1.445 -7.095 -1.368 1.00 22.54 C ATOM 974 CD1 ILE A 57 1.048 -7.829 0.336 1.00 44.22 C ATOM 0 H ILE A 57 -2.224 -5.558 2.431 1.00 72.13 H new ATOM 0 HA ILE A 57 -1.527 -4.524 -0.267 1.00 15.34 H new ATOM 0 HB ILE A 57 -1.719 -7.396 0.741 1.00 1.51 H new ATOM 0 HG12 ILE A 57 0.716 -5.777 -0.157 1.00 44.41 H new ATOM 0 HG13 ILE A 57 0.338 -6.187 1.504 1.00 44.41 H new ATOM 0 HG21 ILE A 57 -0.927 -8.041 -1.523 1.00 22.54 H new ATOM 0 HG22 ILE A 57 -2.506 -7.223 -1.580 1.00 22.54 H new ATOM 0 HG23 ILE A 57 -1.030 -6.341 -2.037 1.00 22.54 H new ATOM 0 HD11 ILE A 57 2.086 -7.651 0.616 1.00 44.22 H new ATOM 0 HD12 ILE A 57 0.621 -8.590 0.989 1.00 44.22 H new ATOM 0 HD13 ILE A 57 1.005 -8.173 -0.697 1.00 44.22 H new ATOM 986 N SER A 58 -3.927 -4.889 -1.089 1.00 2.14 N ATOM 987 CA SER A 58 -5.310 -5.013 -1.567 1.00 5.51 C ATOM 988 C SER A 58 -5.266 -5.231 -3.077 1.00 32.31 C ATOM 989 O SER A 58 -4.598 -4.480 -3.789 1.00 42.53 O ATOM 990 CB SER A 58 -6.125 -3.742 -1.215 1.00 33.20 C ATOM 991 OG SER A 58 -7.477 -3.850 -1.636 1.00 21.24 O ATOM 0 H SER A 58 -3.319 -4.378 -1.729 1.00 2.14 H new ATOM 0 HA SER A 58 -5.803 -5.856 -1.083 1.00 5.51 H new ATOM 0 HB2 SER A 58 -6.092 -3.575 -0.138 1.00 33.20 H new ATOM 0 HB3 SER A 58 -5.666 -2.873 -1.687 1.00 33.20 H new ATOM 0 HG SER A 58 -7.624 -3.274 -2.415 1.00 21.24 H new ATOM 997 N ASN A 59 -5.964 -6.271 -3.554 1.00 51.32 N ATOM 998 CA ASN A 59 -6.033 -6.593 -4.991 1.00 1.11 C ATOM 999 C ASN A 59 -7.098 -5.731 -5.692 1.00 34.12 C ATOM 1000 O ASN A 59 -7.172 -5.716 -6.924 1.00 23.22 O ATOM 1001 CB ASN A 59 -6.319 -8.108 -5.219 1.00 3.11 C ATOM 1002 CG ASN A 59 -5.187 -9.034 -4.741 1.00 75.22 C ATOM 1003 OD1 ASN A 59 -4.495 -8.752 -3.762 1.00 42.42 O ATOM 1004 ND2 ASN A 59 -4.992 -10.154 -5.427 1.00 21.11 N ATOM 0 H ASN A 59 -6.494 -6.910 -2.962 1.00 51.32 H new ATOM 0 HA ASN A 59 -5.061 -6.366 -5.429 1.00 1.11 H new ATOM 0 HB2 ASN A 59 -7.239 -8.376 -4.699 1.00 3.11 H new ATOM 0 HB3 ASN A 59 -6.491 -8.279 -6.282 1.00 3.11 H new ATOM 0 HD21 ASN A 59 -4.256 -10.802 -5.146 1.00 21.11 H new ATOM 0 HD22 ASN A 59 -5.578 -10.366 -6.235 1.00 21.11 H new ATOM 1011 N ASP A 60 -7.902 -4.995 -4.894 1.00 5.42 N ATOM 1012 CA ASP A 60 -9.008 -4.156 -5.403 1.00 64.11 C ATOM 1013 C ASP A 60 -8.742 -2.661 -5.130 1.00 22.15 C ATOM 1014 O ASP A 60 -8.322 -2.273 -4.032 1.00 13.41 O ATOM 1015 CB ASP A 60 -10.350 -4.590 -4.772 1.00 3.02 C ATOM 1016 CG ASP A 60 -11.544 -3.762 -5.285 1.00 12.13 C ATOM 1017 OD1 ASP A 60 -11.937 -3.940 -6.455 1.00 53.11 O ATOM 1018 OD2 ASP A 60 -12.093 -2.931 -4.537 1.00 33.55 O ATOM 0 H ASP A 60 -7.802 -4.966 -3.879 1.00 5.42 H new ATOM 0 HA ASP A 60 -9.068 -4.296 -6.482 1.00 64.11 H new ATOM 0 HB2 ASP A 60 -10.524 -5.644 -4.988 1.00 3.02 H new ATOM 0 HB3 ASP A 60 -10.285 -4.494 -3.688 1.00 3.02 H new ATOM 1023 N LYS A 61 -9.034 -1.842 -6.148 1.00 34.10 N ATOM 1024 CA LYS A 61 -8.740 -0.401 -6.157 1.00 10.22 C ATOM 1025 C LYS A 61 -9.780 0.435 -5.385 1.00 23.34 C ATOM 1026 O LYS A 61 -9.439 1.482 -4.824 1.00 1.21 O ATOM 1027 CB LYS A 61 -8.615 0.068 -7.620 1.00 2.25 C ATOM 1028 CG LYS A 61 -7.456 -0.622 -8.375 1.00 20.23 C ATOM 1029 CD LYS A 61 -7.428 -0.277 -9.878 1.00 13.53 C ATOM 1030 CE LYS A 61 -6.282 -0.986 -10.616 1.00 1.31 C ATOM 1031 NZ LYS A 61 -6.404 -0.852 -12.089 1.00 3.34 N ATOM 0 H LYS A 61 -9.488 -2.165 -7.002 1.00 34.10 H new ATOM 0 HA LYS A 61 -7.798 -0.243 -5.632 1.00 10.22 H new ATOM 0 HB2 LYS A 61 -9.551 -0.131 -8.141 1.00 2.25 H new ATOM 0 HB3 LYS A 61 -8.463 1.147 -7.639 1.00 2.25 H new ATOM 0 HG2 LYS A 61 -6.509 -0.328 -7.922 1.00 20.23 H new ATOM 0 HG3 LYS A 61 -7.544 -1.702 -8.257 1.00 20.23 H new ATOM 0 HD2 LYS A 61 -8.379 -0.558 -10.331 1.00 13.53 H new ATOM 0 HD3 LYS A 61 -7.324 0.801 -9.999 1.00 13.53 H new ATOM 0 HE2 LYS A 61 -5.329 -0.569 -10.292 1.00 1.31 H new ATOM 0 HE3 LYS A 61 -6.276 -2.042 -10.347 1.00 1.31 H new ATOM 0 HZ1 LYS A 61 -5.577 -1.285 -12.547 1.00 3.34 H new ATOM 0 HZ2 LYS A 61 -7.269 -1.332 -12.411 1.00 3.34 H new ATOM 0 HZ3 LYS A 61 -6.452 0.155 -12.343 1.00 3.34 H new ATOM 1045 N GLN A 62 -11.045 -0.032 -5.337 1.00 1.51 N ATOM 1046 CA GLN A 62 -12.115 0.679 -4.605 1.00 12.34 C ATOM 1047 C GLN A 62 -11.853 0.586 -3.097 1.00 45.34 C ATOM 1048 O GLN A 62 -12.016 1.577 -2.362 1.00 74.11 O ATOM 1049 CB GLN A 62 -13.507 0.096 -4.945 1.00 34.24 C ATOM 1050 CG GLN A 62 -14.666 0.677 -4.108 1.00 54.12 C ATOM 1051 CD GLN A 62 -16.034 0.116 -4.494 1.00 30.24 C ATOM 1052 OE1 GLN A 62 -16.484 -0.891 -3.947 1.00 25.44 O ATOM 1053 NE2 GLN A 62 -16.703 0.756 -5.445 1.00 24.45 N ATOM 0 H GLN A 62 -11.350 -0.892 -5.793 1.00 1.51 H new ATOM 0 HA GLN A 62 -12.109 1.725 -4.911 1.00 12.34 H new ATOM 0 HB2 GLN A 62 -13.713 0.274 -6.000 1.00 34.24 H new ATOM 0 HB3 GLN A 62 -13.479 -0.984 -4.803 1.00 34.24 H new ATOM 0 HG2 GLN A 62 -14.482 0.471 -3.054 1.00 54.12 H new ATOM 0 HG3 GLN A 62 -14.680 1.761 -4.224 1.00 54.12 H new ATOM 0 HE21 GLN A 62 -16.303 1.588 -5.879 1.00 24.45 H new ATOM 0 HE22 GLN A 62 -17.618 0.416 -5.742 1.00 24.45 H new ATOM 1062 N LEU A 63 -11.426 -0.617 -2.657 1.00 31.41 N ATOM 1063 CA LEU A 63 -11.006 -0.860 -1.274 1.00 21.45 C ATOM 1064 C LEU A 63 -9.855 0.079 -0.904 1.00 40.33 C ATOM 1065 O LEU A 63 -9.892 0.719 0.133 1.00 12.22 O ATOM 1066 CB LEU A 63 -10.586 -2.345 -1.072 1.00 12.02 C ATOM 1067 CG LEU A 63 -11.724 -3.406 -1.191 1.00 41.35 C ATOM 1068 CD1 LEU A 63 -11.198 -4.829 -0.907 1.00 31.32 C ATOM 1069 CD2 LEU A 63 -12.915 -3.057 -0.274 1.00 31.13 C ATOM 0 H LEU A 63 -11.365 -1.441 -3.255 1.00 31.41 H new ATOM 0 HA LEU A 63 -11.851 -0.659 -0.616 1.00 21.45 H new ATOM 0 HB2 LEU A 63 -9.816 -2.586 -1.805 1.00 12.02 H new ATOM 0 HB3 LEU A 63 -10.130 -2.441 -0.087 1.00 12.02 H new ATOM 0 HG LEU A 63 -12.083 -3.387 -2.220 1.00 41.35 H new ATOM 0 HD11 LEU A 63 -12.016 -5.544 -0.998 1.00 31.32 H new ATOM 0 HD12 LEU A 63 -10.416 -5.078 -1.625 1.00 31.32 H new ATOM 0 HD13 LEU A 63 -10.790 -4.871 0.103 1.00 31.32 H new ATOM 0 HD21 LEU A 63 -13.691 -3.815 -0.380 1.00 31.13 H new ATOM 0 HD22 LEU A 63 -12.579 -3.025 0.762 1.00 31.13 H new ATOM 0 HD23 LEU A 63 -13.318 -2.084 -0.555 1.00 31.13 H new ATOM 1081 N LEU A 64 -8.882 0.188 -1.814 1.00 14.52 N ATOM 1082 CA LEU A 64 -7.715 1.064 -1.654 1.00 71.04 C ATOM 1083 C LEU A 64 -8.140 2.521 -1.337 1.00 34.53 C ATOM 1084 O LEU A 64 -7.634 3.103 -0.386 1.00 25.12 O ATOM 1085 CB LEU A 64 -6.840 0.958 -2.933 1.00 62.45 C ATOM 1086 CG LEU A 64 -5.564 1.871 -3.027 1.00 5.41 C ATOM 1087 CD1 LEU A 64 -4.467 1.180 -3.842 1.00 33.43 C ATOM 1088 CD2 LEU A 64 -5.883 3.256 -3.651 1.00 4.12 C ATOM 0 H LEU A 64 -8.881 -0.334 -2.691 1.00 14.52 H new ATOM 0 HA LEU A 64 -7.121 0.741 -0.799 1.00 71.04 H new ATOM 0 HB2 LEU A 64 -6.518 -0.079 -3.033 1.00 62.45 H new ATOM 0 HB3 LEU A 64 -7.474 1.179 -3.792 1.00 62.45 H new ATOM 0 HG LEU A 64 -5.213 2.034 -2.008 1.00 5.41 H new ATOM 0 HD11 LEU A 64 -3.592 1.827 -3.896 1.00 33.43 H new ATOM 0 HD12 LEU A 64 -4.194 0.240 -3.362 1.00 33.43 H new ATOM 0 HD13 LEU A 64 -4.833 0.980 -4.849 1.00 33.43 H new ATOM 0 HD21 LEU A 64 -4.972 3.853 -3.696 1.00 4.12 H new ATOM 0 HD22 LEU A 64 -6.278 3.119 -4.658 1.00 4.12 H new ATOM 0 HD23 LEU A 64 -6.623 3.770 -3.038 1.00 4.12 H new ATOM 1100 N LYS A 65 -9.097 3.067 -2.121 1.00 14.12 N ATOM 1101 CA LYS A 65 -9.604 4.454 -1.930 1.00 42.54 C ATOM 1102 C LYS A 65 -10.225 4.651 -0.524 1.00 13.43 C ATOM 1103 O LYS A 65 -9.805 5.533 0.229 1.00 42.30 O ATOM 1104 CB LYS A 65 -10.655 4.792 -3.010 1.00 43.14 C ATOM 1105 CG LYS A 65 -10.142 4.670 -4.453 1.00 41.33 C ATOM 1106 CD LYS A 65 -11.270 4.882 -5.495 1.00 43.00 C ATOM 1107 CE LYS A 65 -11.885 6.295 -5.455 1.00 71.34 C ATOM 1108 NZ LYS A 65 -12.988 6.453 -6.448 1.00 52.11 N ATOM 0 H LYS A 65 -9.538 2.570 -2.895 1.00 14.12 H new ATOM 0 HA LYS A 65 -8.752 5.127 -2.022 1.00 42.54 H new ATOM 0 HB2 LYS A 65 -11.513 4.131 -2.885 1.00 43.14 H new ATOM 0 HB3 LYS A 65 -11.011 5.810 -2.848 1.00 43.14 H new ATOM 0 HG2 LYS A 65 -9.353 5.404 -4.620 1.00 41.33 H new ATOM 0 HG3 LYS A 65 -9.697 3.685 -4.597 1.00 41.33 H new ATOM 0 HD2 LYS A 65 -10.872 4.695 -6.493 1.00 43.00 H new ATOM 0 HD3 LYS A 65 -12.056 4.147 -5.323 1.00 43.00 H new ATOM 0 HE2 LYS A 65 -12.267 6.496 -4.454 1.00 71.34 H new ATOM 0 HE3 LYS A 65 -11.109 7.034 -5.654 1.00 71.34 H new ATOM 0 HZ1 LYS A 65 -13.374 7.417 -6.388 1.00 52.11 H new ATOM 0 HZ2 LYS A 65 -12.619 6.287 -7.406 1.00 52.11 H new ATOM 0 HZ3 LYS A 65 -13.741 5.766 -6.243 1.00 52.11 H new ATOM 1122 N GLU A 66 -11.199 3.764 -0.201 1.00 32.22 N ATOM 1123 CA GLU A 66 -11.980 3.777 1.064 1.00 41.50 C ATOM 1124 C GLU A 66 -11.018 3.779 2.274 1.00 63.45 C ATOM 1125 O GLU A 66 -11.097 4.632 3.170 1.00 2.12 O ATOM 1126 CB GLU A 66 -12.913 2.513 1.063 1.00 22.52 C ATOM 1127 CG GLU A 66 -14.267 2.646 1.813 1.00 34.31 C ATOM 1128 CD GLU A 66 -14.196 2.742 3.351 1.00 61.31 C ATOM 1129 OE1 GLU A 66 -14.135 1.692 4.020 1.00 63.40 O ATOM 1130 OE2 GLU A 66 -14.246 3.859 3.896 1.00 3.53 O ATOM 0 H GLU A 66 -11.470 3.004 -0.825 1.00 32.22 H new ATOM 0 HA GLU A 66 -12.593 4.675 1.140 1.00 41.50 H new ATOM 0 HB2 GLU A 66 -13.122 2.245 0.027 1.00 22.52 H new ATOM 0 HB3 GLU A 66 -12.361 1.682 1.502 1.00 22.52 H new ATOM 0 HG2 GLU A 66 -14.778 3.533 1.439 1.00 34.31 H new ATOM 0 HG3 GLU A 66 -14.887 1.788 1.553 1.00 34.31 H new ATOM 1137 N MET A 67 -10.071 2.840 2.190 1.00 21.14 N ATOM 1138 CA MET A 67 -8.978 2.639 3.143 1.00 61.14 C ATOM 1139 C MET A 67 -8.158 3.917 3.391 1.00 54.43 C ATOM 1140 O MET A 67 -8.007 4.323 4.536 1.00 73.15 O ATOM 1141 CB MET A 67 -8.101 1.481 2.592 1.00 60.40 C ATOM 1142 CG MET A 67 -6.729 1.265 3.233 1.00 3.53 C ATOM 1143 SD MET A 67 -6.293 -0.489 3.323 1.00 60.43 S ATOM 1144 CE MET A 67 -6.723 -1.103 1.687 1.00 22.15 C ATOM 0 H MET A 67 -10.045 2.170 1.421 1.00 21.14 H new ATOM 0 HA MET A 67 -9.384 2.381 4.121 1.00 61.14 H new ATOM 0 HB2 MET A 67 -8.667 0.555 2.690 1.00 60.40 H new ATOM 0 HB3 MET A 67 -7.951 1.651 1.526 1.00 60.40 H new ATOM 0 HG2 MET A 67 -5.972 1.798 2.658 1.00 3.53 H new ATOM 0 HG3 MET A 67 -6.726 1.691 4.236 1.00 3.53 H new ATOM 0 HE1 MET A 67 -6.308 -2.102 1.553 1.00 22.15 H new ATOM 0 HE2 MET A 67 -7.808 -1.144 1.587 1.00 22.15 H new ATOM 0 HE3 MET A 67 -6.314 -0.435 0.929 1.00 22.15 H new ATOM 1154 N LEU A 68 -7.672 4.550 2.312 1.00 52.31 N ATOM 1155 CA LEU A 68 -6.778 5.728 2.407 1.00 41.03 C ATOM 1156 C LEU A 68 -7.473 6.948 3.030 1.00 42.05 C ATOM 1157 O LEU A 68 -6.835 7.730 3.737 1.00 11.32 O ATOM 1158 CB LEU A 68 -6.215 6.078 1.015 1.00 74.35 C ATOM 1159 CG LEU A 68 -5.276 5.004 0.400 1.00 2.33 C ATOM 1160 CD1 LEU A 68 -4.753 5.442 -0.967 1.00 24.15 C ATOM 1161 CD2 LEU A 68 -4.122 4.672 1.349 1.00 3.41 C ATOM 0 H LEU A 68 -7.882 4.268 1.355 1.00 52.31 H new ATOM 0 HA LEU A 68 -5.958 5.459 3.073 1.00 41.03 H new ATOM 0 HB2 LEU A 68 -7.049 6.244 0.333 1.00 74.35 H new ATOM 0 HB3 LEU A 68 -5.669 7.019 1.086 1.00 74.35 H new ATOM 0 HG LEU A 68 -5.862 4.097 0.256 1.00 2.33 H new ATOM 0 HD11 LEU A 68 -4.099 4.669 -1.371 1.00 24.15 H new ATOM 0 HD12 LEU A 68 -5.592 5.598 -1.645 1.00 24.15 H new ATOM 0 HD13 LEU A 68 -4.194 6.372 -0.862 1.00 24.15 H new ATOM 0 HD21 LEU A 68 -3.481 3.918 0.893 1.00 3.41 H new ATOM 0 HD22 LEU A 68 -3.540 5.573 1.544 1.00 3.41 H new ATOM 0 HD23 LEU A 68 -4.522 4.289 2.288 1.00 3.41 H new ATOM 1173 N GLU A 69 -8.778 7.089 2.761 1.00 44.13 N ATOM 1174 CA GLU A 69 -9.595 8.178 3.323 1.00 5.25 C ATOM 1175 C GLU A 69 -9.844 7.947 4.830 1.00 2.43 C ATOM 1176 O GLU A 69 -9.962 8.908 5.594 1.00 1.30 O ATOM 1177 CB GLU A 69 -10.913 8.310 2.529 1.00 1.20 C ATOM 1178 CG GLU A 69 -10.692 8.588 1.027 1.00 24.53 C ATOM 1179 CD GLU A 69 -11.994 8.681 0.218 1.00 53.22 C ATOM 1180 OE1 GLU A 69 -12.803 7.735 0.271 1.00 20.15 O ATOM 1181 OE2 GLU A 69 -12.205 9.687 -0.491 1.00 43.01 O ATOM 0 H GLU A 69 -9.297 6.456 2.152 1.00 44.13 H new ATOM 0 HA GLU A 69 -9.055 9.120 3.229 1.00 5.25 H new ATOM 0 HB2 GLU A 69 -11.491 7.392 2.641 1.00 1.20 H new ATOM 0 HB3 GLU A 69 -11.509 9.116 2.957 1.00 1.20 H new ATOM 0 HG2 GLU A 69 -10.139 9.521 0.917 1.00 24.53 H new ATOM 0 HG3 GLU A 69 -10.070 7.797 0.608 1.00 24.53 H new ATOM 1188 N LEU A 70 -9.895 6.662 5.248 1.00 5.42 N ATOM 1189 CA LEU A 70 -9.951 6.288 6.678 1.00 31.13 C ATOM 1190 C LEU A 70 -8.587 6.535 7.376 1.00 23.34 C ATOM 1191 O LEU A 70 -8.549 6.979 8.530 1.00 44.31 O ATOM 1192 CB LEU A 70 -10.392 4.805 6.836 1.00 4.42 C ATOM 1193 CG LEU A 70 -11.864 4.486 6.425 1.00 31.43 C ATOM 1194 CD1 LEU A 70 -12.139 2.975 6.494 1.00 72.31 C ATOM 1195 CD2 LEU A 70 -12.875 5.260 7.296 1.00 74.22 C ATOM 0 H LEU A 70 -9.898 5.865 4.612 1.00 5.42 H new ATOM 0 HA LEU A 70 -10.692 6.922 7.164 1.00 31.13 H new ATOM 0 HB2 LEU A 70 -9.725 4.182 6.240 1.00 4.42 H new ATOM 0 HB3 LEU A 70 -10.254 4.514 7.877 1.00 4.42 H new ATOM 0 HG LEU A 70 -11.992 4.813 5.393 1.00 31.43 H new ATOM 0 HD11 LEU A 70 -13.171 2.779 6.203 1.00 72.31 H new ATOM 0 HD12 LEU A 70 -11.465 2.451 5.816 1.00 72.31 H new ATOM 0 HD13 LEU A 70 -11.976 2.622 7.512 1.00 72.31 H new ATOM 0 HD21 LEU A 70 -13.889 5.014 6.982 1.00 74.22 H new ATOM 0 HD22 LEU A 70 -12.741 4.983 8.342 1.00 74.22 H new ATOM 0 HD23 LEU A 70 -12.710 6.331 7.181 1.00 74.22 H new ATOM 1207 N ILE A 71 -7.471 6.261 6.656 1.00 43.44 N ATOM 1208 CA ILE A 71 -6.096 6.497 7.172 1.00 41.41 C ATOM 1209 C ILE A 71 -5.824 8.013 7.304 1.00 11.44 C ATOM 1210 O ILE A 71 -5.048 8.446 8.168 1.00 5.22 O ATOM 1211 CB ILE A 71 -4.983 5.842 6.257 1.00 23.30 C ATOM 1212 CG1 ILE A 71 -5.219 4.311 6.082 1.00 2.12 C ATOM 1213 CG2 ILE A 71 -3.571 6.101 6.835 1.00 60.52 C ATOM 1214 CD1 ILE A 71 -4.263 3.623 5.111 1.00 2.30 C ATOM 0 H ILE A 71 -7.495 5.875 5.712 1.00 43.44 H new ATOM 0 HA ILE A 71 -6.043 6.021 8.151 1.00 41.41 H new ATOM 0 HB ILE A 71 -5.051 6.311 5.275 1.00 23.30 H new ATOM 0 HG12 ILE A 71 -5.133 3.831 7.057 1.00 2.12 H new ATOM 0 HG13 ILE A 71 -6.241 4.152 5.738 1.00 2.12 H new ATOM 0 HG21 ILE A 71 -2.823 5.641 6.189 1.00 60.52 H new ATOM 0 HG22 ILE A 71 -3.392 7.175 6.890 1.00 60.52 H new ATOM 0 HG23 ILE A 71 -3.502 5.670 7.834 1.00 60.52 H new ATOM 0 HD11 ILE A 71 -4.504 2.561 5.054 1.00 2.30 H new ATOM 0 HD12 ILE A 71 -4.364 4.071 4.122 1.00 2.30 H new ATOM 0 HD13 ILE A 71 -3.238 3.745 5.462 1.00 2.30 H new ATOM 1226 N SER A 72 -6.487 8.807 6.445 1.00 41.54 N ATOM 1227 CA SER A 72 -6.416 10.275 6.480 1.00 31.35 C ATOM 1228 C SER A 72 -6.942 10.808 7.821 1.00 35.02 C ATOM 1229 O SER A 72 -6.412 11.786 8.352 1.00 13.21 O ATOM 1230 CB SER A 72 -7.212 10.866 5.289 1.00 32.02 C ATOM 1231 OG SER A 72 -7.078 12.276 5.207 1.00 63.41 O ATOM 0 H SER A 72 -7.089 8.445 5.705 1.00 41.54 H new ATOM 0 HA SER A 72 -5.375 10.586 6.387 1.00 31.35 H new ATOM 0 HB2 SER A 72 -6.863 10.414 4.360 1.00 32.02 H new ATOM 0 HB3 SER A 72 -8.266 10.608 5.393 1.00 32.02 H new ATOM 0 HG SER A 72 -7.593 12.610 4.443 1.00 63.41 H new ATOM 1237 N LYS A 73 -7.956 10.123 8.383 1.00 62.31 N ATOM 1238 CA LYS A 73 -8.532 10.483 9.689 1.00 3.25 C ATOM 1239 C LYS A 73 -7.548 10.128 10.823 1.00 21.32 C ATOM 1240 O LYS A 73 -7.515 10.785 11.865 1.00 61.11 O ATOM 1241 CB LYS A 73 -9.896 9.762 9.904 1.00 74.31 C ATOM 1242 CG LYS A 73 -10.851 9.795 8.683 1.00 1.11 C ATOM 1243 CD LYS A 73 -11.084 11.211 8.103 1.00 41.40 C ATOM 1244 CE LYS A 73 -11.835 12.141 9.068 1.00 25.14 C ATOM 1245 NZ LYS A 73 -13.226 11.681 9.321 1.00 71.31 N ATOM 0 H LYS A 73 -8.395 9.312 7.948 1.00 62.31 H new ATOM 0 HA LYS A 73 -8.708 11.559 9.705 1.00 3.25 H new ATOM 0 HB2 LYS A 73 -9.703 8.722 10.168 1.00 74.31 H new ATOM 0 HB3 LYS A 73 -10.402 10.219 10.755 1.00 74.31 H new ATOM 0 HG2 LYS A 73 -10.445 9.155 7.900 1.00 1.11 H new ATOM 0 HG3 LYS A 73 -11.812 9.371 8.975 1.00 1.11 H new ATOM 0 HD2 LYS A 73 -10.122 11.657 7.853 1.00 41.40 H new ATOM 0 HD3 LYS A 73 -11.648 11.128 7.174 1.00 41.40 H new ATOM 0 HE2 LYS A 73 -11.294 12.195 10.013 1.00 25.14 H new ATOM 0 HE3 LYS A 73 -11.857 13.150 8.655 1.00 25.14 H new ATOM 0 HZ1 LYS A 73 -13.732 12.397 9.880 1.00 71.31 H new ATOM 0 HZ2 LYS A 73 -13.715 11.540 8.414 1.00 71.31 H new ATOM 0 HZ3 LYS A 73 -13.205 10.784 9.846 1.00 71.31 H new ATOM 1259 N LEU A 74 -6.751 9.070 10.591 1.00 34.24 N ATOM 1260 CA LEU A 74 -5.686 8.629 11.515 1.00 33.22 C ATOM 1261 C LEU A 74 -4.432 9.530 11.382 1.00 32.31 C ATOM 1262 O LEU A 74 -3.607 9.598 12.296 1.00 40.31 O ATOM 1263 CB LEU A 74 -5.318 7.151 11.215 1.00 73.22 C ATOM 1264 CG LEU A 74 -6.480 6.111 11.275 1.00 13.42 C ATOM 1265 CD1 LEU A 74 -5.994 4.705 10.854 1.00 44.42 C ATOM 1266 CD2 LEU A 74 -7.128 6.074 12.674 1.00 42.51 C ATOM 0 H LEU A 74 -6.826 8.493 9.754 1.00 34.24 H new ATOM 0 HA LEU A 74 -6.054 8.711 12.538 1.00 33.22 H new ATOM 0 HB2 LEU A 74 -4.873 7.107 10.221 1.00 73.22 H new ATOM 0 HB3 LEU A 74 -4.549 6.842 11.923 1.00 73.22 H new ATOM 0 HG LEU A 74 -7.242 6.429 10.564 1.00 13.42 H new ATOM 0 HD11 LEU A 74 -6.825 4.002 10.906 1.00 44.42 H new ATOM 0 HD12 LEU A 74 -5.613 4.742 9.833 1.00 44.42 H new ATOM 0 HD13 LEU A 74 -5.200 4.378 11.526 1.00 44.42 H new ATOM 0 HD21 LEU A 74 -7.934 5.340 12.683 1.00 42.51 H new ATOM 0 HD22 LEU A 74 -6.378 5.798 13.415 1.00 42.51 H new ATOM 0 HD23 LEU A 74 -7.531 7.058 12.914 1.00 42.51 H new ATOM 1278 N GLY A 75 -4.300 10.191 10.214 1.00 33.31 N ATOM 1279 CA GLY A 75 -3.207 11.123 9.937 1.00 53.31 C ATOM 1280 C GLY A 75 -1.838 10.458 9.825 1.00 51.21 C ATOM 1281 O GLY A 75 -0.821 11.069 10.173 1.00 35.22 O ATOM 0 H GLY A 75 -4.955 10.088 9.439 1.00 33.31 H new ATOM 0 HA2 GLY A 75 -3.420 11.651 9.008 1.00 53.31 H new ATOM 0 HA3 GLY A 75 -3.172 11.872 10.728 1.00 53.31 H new ATOM 1285 N TYR A 76 -1.819 9.200 9.342 1.00 15.34 N ATOM 1286 CA TYR A 76 -0.575 8.417 9.183 1.00 62.33 C ATOM 1287 C TYR A 76 0.072 8.647 7.809 1.00 33.35 C ATOM 1288 O TYR A 76 -0.613 8.945 6.820 1.00 71.32 O ATOM 1289 CB TYR A 76 -0.825 6.900 9.413 1.00 32.50 C ATOM 1290 CG TYR A 76 -1.147 6.518 10.869 1.00 75.13 C ATOM 1291 CD1 TYR A 76 -0.447 7.092 11.939 1.00 23.34 C ATOM 1292 CD2 TYR A 76 -2.125 5.569 11.172 1.00 53.24 C ATOM 1293 CE1 TYR A 76 -0.711 6.732 13.245 1.00 32.14 C ATOM 1294 CE2 TYR A 76 -2.395 5.211 12.483 1.00 3.41 C ATOM 1295 CZ TYR A 76 -1.685 5.798 13.514 1.00 33.33 C ATOM 1296 OH TYR A 76 -1.945 5.439 14.820 1.00 11.01 O ATOM 0 H TYR A 76 -2.659 8.700 9.052 1.00 15.34 H new ATOM 0 HA TYR A 76 0.119 8.771 9.946 1.00 62.33 H new ATOM 0 HB2 TYR A 76 -1.650 6.580 8.776 1.00 32.50 H new ATOM 0 HB3 TYR A 76 0.058 6.347 9.093 1.00 32.50 H new ATOM 0 HD1 TYR A 76 0.314 7.831 11.737 1.00 23.34 H new ATOM 0 HD2 TYR A 76 -2.681 5.106 10.370 1.00 53.24 H new ATOM 0 HE1 TYR A 76 -0.155 7.182 14.054 1.00 32.14 H new ATOM 0 HE2 TYR A 76 -3.157 4.477 12.699 1.00 3.41 H new ATOM 0 HH TYR A 76 -2.661 4.770 14.839 1.00 11.01 H new ATOM 1306 N LYS A 77 1.412 8.516 7.790 1.00 31.52 N ATOM 1307 CA LYS A 77 2.212 8.557 6.564 1.00 53.22 C ATOM 1308 C LYS A 77 1.883 7.329 5.706 1.00 14.15 C ATOM 1309 O LYS A 77 2.073 6.192 6.159 1.00 33.11 O ATOM 1310 CB LYS A 77 3.729 8.562 6.895 1.00 3.02 C ATOM 1311 CG LYS A 77 4.227 9.722 7.783 1.00 23.23 C ATOM 1312 CD LYS A 77 4.181 11.093 7.083 1.00 52.22 C ATOM 1313 CE LYS A 77 5.121 11.177 5.868 1.00 65.04 C ATOM 1314 NZ LYS A 77 5.138 12.542 5.279 1.00 43.10 N ATOM 0 H LYS A 77 1.968 8.378 8.634 1.00 31.52 H new ATOM 0 HA LYS A 77 1.973 9.471 6.020 1.00 53.22 H new ATOM 0 HB2 LYS A 77 3.975 7.622 7.389 1.00 3.02 H new ATOM 0 HB3 LYS A 77 4.285 8.585 5.957 1.00 3.02 H new ATOM 0 HG2 LYS A 77 3.620 9.764 8.687 1.00 23.23 H new ATOM 0 HG3 LYS A 77 5.251 9.516 8.096 1.00 23.23 H new ATOM 0 HD2 LYS A 77 3.160 11.297 6.761 1.00 52.22 H new ATOM 0 HD3 LYS A 77 4.450 11.870 7.799 1.00 52.22 H new ATOM 0 HE2 LYS A 77 6.131 10.898 6.169 1.00 65.04 H new ATOM 0 HE3 LYS A 77 4.804 10.458 5.112 1.00 65.04 H new ATOM 0 HZ1 LYS A 77 5.782 12.560 4.463 1.00 43.10 H new ATOM 0 HZ2 LYS A 77 4.179 12.798 4.969 1.00 43.10 H new ATOM 0 HZ3 LYS A 77 5.465 13.224 5.993 1.00 43.10 H new ATOM 1328 N VAL A 78 1.340 7.556 4.506 1.00 15.45 N ATOM 1329 CA VAL A 78 1.062 6.478 3.543 1.00 71.14 C ATOM 1330 C VAL A 78 2.033 6.564 2.376 1.00 31.43 C ATOM 1331 O VAL A 78 2.117 7.598 1.700 1.00 34.14 O ATOM 1332 CB VAL A 78 -0.404 6.518 2.982 1.00 72.03 C ATOM 1333 CG1 VAL A 78 -0.668 5.336 2.013 1.00 31.33 C ATOM 1334 CG2 VAL A 78 -1.424 6.521 4.130 1.00 1.21 C ATOM 0 H VAL A 78 1.081 8.485 4.173 1.00 15.45 H new ATOM 0 HA VAL A 78 1.184 5.540 4.085 1.00 71.14 H new ATOM 0 HB VAL A 78 -0.521 7.443 2.417 1.00 72.03 H new ATOM 0 HG11 VAL A 78 -1.691 5.392 1.642 1.00 31.33 H new ATOM 0 HG12 VAL A 78 0.026 5.391 1.174 1.00 31.33 H new ATOM 0 HG13 VAL A 78 -0.524 4.393 2.541 1.00 31.33 H new ATOM 0 HG21 VAL A 78 -2.433 6.549 3.720 1.00 1.21 H new ATOM 0 HG22 VAL A 78 -1.301 5.619 4.729 1.00 1.21 H new ATOM 0 HG23 VAL A 78 -1.263 7.398 4.757 1.00 1.21 H new ATOM 1344 N PHE A 79 2.771 5.481 2.148 1.00 55.32 N ATOM 1345 CA PHE A 79 3.554 5.301 0.936 1.00 75.31 C ATOM 1346 C PHE A 79 2.868 4.179 0.148 1.00 21.24 C ATOM 1347 O PHE A 79 2.872 3.021 0.577 1.00 31.23 O ATOM 1348 CB PHE A 79 5.016 4.939 1.295 1.00 61.42 C ATOM 1349 CG PHE A 79 5.792 6.030 2.049 1.00 33.21 C ATOM 1350 CD1 PHE A 79 5.632 6.214 3.422 1.00 11.11 C ATOM 1351 CD2 PHE A 79 6.688 6.868 1.378 1.00 22.24 C ATOM 1352 CE1 PHE A 79 6.338 7.196 4.100 1.00 33.24 C ATOM 1353 CE2 PHE A 79 7.392 7.844 2.057 1.00 54.41 C ATOM 1354 CZ PHE A 79 7.216 8.008 3.416 1.00 41.43 C ATOM 0 H PHE A 79 2.841 4.702 2.803 1.00 55.32 H new ATOM 0 HA PHE A 79 3.599 6.212 0.339 1.00 75.31 H new ATOM 0 HB2 PHE A 79 5.011 4.033 1.902 1.00 61.42 H new ATOM 0 HB3 PHE A 79 5.552 4.704 0.375 1.00 61.42 H new ATOM 0 HD1 PHE A 79 4.947 5.581 3.966 1.00 11.11 H new ATOM 0 HD2 PHE A 79 6.832 6.751 0.314 1.00 22.24 H new ATOM 0 HE1 PHE A 79 6.200 7.324 5.163 1.00 33.24 H new ATOM 0 HE2 PHE A 79 8.082 8.480 1.523 1.00 54.41 H new ATOM 0 HZ PHE A 79 7.767 8.773 3.943 1.00 41.43 H new ATOM 1364 N LEU A 80 2.267 4.531 -0.992 1.00 24.21 N ATOM 1365 CA LEU A 80 1.473 3.604 -1.813 1.00 63.21 C ATOM 1366 C LEU A 80 2.237 3.215 -3.075 1.00 23.01 C ATOM 1367 O LEU A 80 2.813 4.065 -3.746 1.00 61.33 O ATOM 1368 CB LEU A 80 0.095 4.236 -2.163 1.00 71.22 C ATOM 1369 CG LEU A 80 -0.783 3.496 -3.241 1.00 54.12 C ATOM 1370 CD1 LEU A 80 -1.053 2.024 -2.889 1.00 42.31 C ATOM 1371 CD2 LEU A 80 -2.103 4.243 -3.469 1.00 74.35 C ATOM 0 H LEU A 80 2.316 5.474 -1.377 1.00 24.21 H new ATOM 0 HA LEU A 80 1.293 2.695 -1.239 1.00 63.21 H new ATOM 0 HB2 LEU A 80 -0.487 4.307 -1.244 1.00 71.22 H new ATOM 0 HB3 LEU A 80 0.269 5.255 -2.510 1.00 71.22 H new ATOM 0 HG LEU A 80 -0.205 3.497 -4.165 1.00 54.12 H new ATOM 0 HD11 LEU A 80 -1.663 1.569 -3.670 1.00 42.31 H new ATOM 0 HD12 LEU A 80 -0.106 1.489 -2.810 1.00 42.31 H new ATOM 0 HD13 LEU A 80 -1.582 1.969 -1.937 1.00 42.31 H new ATOM 0 HD21 LEU A 80 -2.695 3.716 -4.217 1.00 74.35 H new ATOM 0 HD22 LEU A 80 -2.660 4.291 -2.533 1.00 74.35 H new ATOM 0 HD23 LEU A 80 -1.893 5.254 -3.819 1.00 74.35 H new ATOM 1383 N LEU A 81 2.245 1.913 -3.376 1.00 11.03 N ATOM 1384 CA LEU A 81 2.805 1.379 -4.614 1.00 44.05 C ATOM 1385 C LEU A 81 1.687 0.739 -5.446 1.00 40.23 C ATOM 1386 O LEU A 81 1.027 -0.203 -4.998 1.00 63.21 O ATOM 1387 CB LEU A 81 3.924 0.351 -4.313 1.00 45.34 C ATOM 1388 CG LEU A 81 4.667 -0.207 -5.565 1.00 42.24 C ATOM 1389 CD1 LEU A 81 5.272 0.935 -6.402 1.00 41.31 C ATOM 1390 CD2 LEU A 81 5.739 -1.232 -5.168 1.00 42.14 C ATOM 0 H LEU A 81 1.859 1.197 -2.760 1.00 11.03 H new ATOM 0 HA LEU A 81 3.250 2.195 -5.184 1.00 44.05 H new ATOM 0 HB2 LEU A 81 4.656 0.817 -3.654 1.00 45.34 H new ATOM 0 HB3 LEU A 81 3.489 -0.485 -3.766 1.00 45.34 H new ATOM 0 HG LEU A 81 3.933 -0.723 -6.184 1.00 42.24 H new ATOM 0 HD11 LEU A 81 5.785 0.518 -7.269 1.00 41.31 H new ATOM 0 HD12 LEU A 81 4.477 1.602 -6.736 1.00 41.31 H new ATOM 0 HD13 LEU A 81 5.983 1.494 -5.794 1.00 41.31 H new ATOM 0 HD21 LEU A 81 6.238 -1.602 -6.064 1.00 42.14 H new ATOM 0 HD22 LEU A 81 6.471 -0.758 -4.514 1.00 42.14 H new ATOM 0 HD23 LEU A 81 5.270 -2.065 -4.644 1.00 42.14 H new ATOM 1402 N LEU A 82 1.465 1.280 -6.647 1.00 71.32 N ATOM 1403 CA LEU A 82 0.479 0.768 -7.603 1.00 11.45 C ATOM 1404 C LEU A 82 1.200 -0.017 -8.718 1.00 20.43 C ATOM 1405 O LEU A 82 2.078 0.524 -9.398 1.00 23.32 O ATOM 1406 CB LEU A 82 -0.329 1.943 -8.210 1.00 24.33 C ATOM 1407 CG LEU A 82 -1.280 2.725 -7.254 1.00 72.45 C ATOM 1408 CD1 LEU A 82 -1.989 3.884 -7.990 1.00 1.34 C ATOM 1409 CD2 LEU A 82 -2.311 1.786 -6.612 1.00 52.11 C ATOM 0 H LEU A 82 1.972 2.097 -6.987 1.00 71.32 H new ATOM 0 HA LEU A 82 -0.211 0.100 -7.087 1.00 11.45 H new ATOM 0 HB2 LEU A 82 0.378 2.654 -8.638 1.00 24.33 H new ATOM 0 HB3 LEU A 82 -0.926 1.552 -9.034 1.00 24.33 H new ATOM 0 HG LEU A 82 -0.666 3.154 -6.462 1.00 72.45 H new ATOM 0 HD11 LEU A 82 -2.645 4.409 -7.295 1.00 1.34 H new ATOM 0 HD12 LEU A 82 -1.244 4.577 -8.380 1.00 1.34 H new ATOM 0 HD13 LEU A 82 -2.579 3.484 -8.815 1.00 1.34 H new ATOM 0 HD21 LEU A 82 -2.961 2.358 -5.950 1.00 52.11 H new ATOM 0 HD22 LEU A 82 -2.910 1.316 -7.392 1.00 52.11 H new ATOM 0 HD23 LEU A 82 -1.795 1.017 -6.038 1.00 52.11 H new ATOM 1421 N GLN A 83 0.821 -1.293 -8.894 1.00 34.14 N ATOM 1422 CA GLN A 83 1.360 -2.168 -9.944 1.00 51.15 C ATOM 1423 C GLN A 83 0.237 -2.493 -10.928 1.00 14.31 C ATOM 1424 O GLN A 83 -0.701 -3.214 -10.572 1.00 25.42 O ATOM 1425 CB GLN A 83 1.949 -3.468 -9.324 1.00 52.42 C ATOM 1426 CG GLN A 83 2.724 -4.349 -10.327 1.00 11.34 C ATOM 1427 CD GLN A 83 3.429 -5.543 -9.684 1.00 22.35 C ATOM 1428 OE1 GLN A 83 3.801 -5.508 -8.511 1.00 71.11 O ATOM 1429 NE2 GLN A 83 3.632 -6.600 -10.450 1.00 21.23 N ATOM 0 H GLN A 83 0.125 -1.749 -8.305 1.00 34.14 H new ATOM 0 HA GLN A 83 2.170 -1.661 -10.469 1.00 51.15 H new ATOM 0 HB2 GLN A 83 2.615 -3.198 -8.504 1.00 52.42 H new ATOM 0 HB3 GLN A 83 1.136 -4.054 -8.895 1.00 52.42 H new ATOM 0 HG2 GLN A 83 2.032 -4.713 -11.086 1.00 11.34 H new ATOM 0 HG3 GLN A 83 3.464 -3.735 -10.839 1.00 11.34 H new ATOM 0 HE21 GLN A 83 3.311 -6.597 -11.418 1.00 21.23 H new ATOM 0 HE22 GLN A 83 4.109 -7.419 -10.073 1.00 21.23 H new ATOM 1438 N ASP A 84 0.319 -1.935 -12.151 1.00 31.35 N ATOM 1439 CA ASP A 84 -0.734 -2.096 -13.167 1.00 25.22 C ATOM 1440 C ASP A 84 -0.138 -1.930 -14.576 1.00 52.52 C ATOM 1441 O ASP A 84 0.835 -1.182 -14.762 1.00 14.45 O ATOM 1442 CB ASP A 84 -1.869 -1.070 -12.916 1.00 22.31 C ATOM 1443 CG ASP A 84 -3.154 -1.387 -13.691 1.00 42.02 C ATOM 1444 OD1 ASP A 84 -3.994 -2.151 -13.171 1.00 62.02 O ATOM 1445 OD2 ASP A 84 -3.339 -0.879 -14.818 1.00 60.14 O ATOM 0 H ASP A 84 1.108 -1.367 -12.458 1.00 31.35 H new ATOM 0 HA ASP A 84 -1.157 -3.098 -13.095 1.00 25.22 H new ATOM 0 HB2 ASP A 84 -2.094 -1.040 -11.850 1.00 22.31 H new ATOM 0 HB3 ASP A 84 -1.520 -0.076 -13.196 1.00 22.31 H new ATOM 1450 N GLN A 85 -0.714 -2.645 -15.556 1.00 62.12 N ATOM 1451 CA GLN A 85 -0.241 -2.627 -16.955 1.00 20.44 C ATOM 1452 C GLN A 85 -0.747 -1.391 -17.728 1.00 11.42 C ATOM 1453 O GLN A 85 0.008 -0.785 -18.503 1.00 5.05 O ATOM 1454 CB GLN A 85 -0.659 -3.941 -17.680 1.00 2.11 C ATOM 1455 CG GLN A 85 -2.166 -4.273 -17.583 1.00 1.21 C ATOM 1456 CD GLN A 85 -2.610 -5.489 -18.405 1.00 34.21 C ATOM 1457 OE1 GLN A 85 -1.842 -6.419 -18.651 1.00 70.51 O ATOM 1458 NE2 GLN A 85 -3.865 -5.490 -18.820 1.00 1.24 N ATOM 0 H GLN A 85 -1.520 -3.252 -15.404 1.00 62.12 H new ATOM 0 HA GLN A 85 0.847 -2.562 -16.932 1.00 20.44 H new ATOM 0 HB2 GLN A 85 -0.383 -3.865 -18.732 1.00 2.11 H new ATOM 0 HB3 GLN A 85 -0.089 -4.770 -17.260 1.00 2.11 H new ATOM 0 HG2 GLN A 85 -2.419 -4.447 -16.537 1.00 1.21 H new ATOM 0 HG3 GLN A 85 -2.737 -3.404 -17.909 1.00 1.21 H new ATOM 0 HE21 GLN A 85 -4.476 -4.704 -18.599 1.00 1.24 H new ATOM 0 HE22 GLN A 85 -4.223 -6.277 -19.361 1.00 1.24 H new ATOM 1467 N ASP A 86 -2.009 -1.011 -17.508 1.00 3.30 N ATOM 1468 CA ASP A 86 -2.653 0.074 -18.265 1.00 24.33 C ATOM 1469 C ASP A 86 -2.340 1.410 -17.596 1.00 45.54 C ATOM 1470 O ASP A 86 -3.008 1.795 -16.641 1.00 34.14 O ATOM 1471 CB ASP A 86 -4.186 -0.143 -18.355 1.00 12.34 C ATOM 1472 CG ASP A 86 -4.572 -1.346 -19.226 1.00 52.42 C ATOM 1473 OD1 ASP A 86 -4.644 -1.193 -20.461 1.00 5.22 O ATOM 1474 OD2 ASP A 86 -4.810 -2.450 -18.689 1.00 10.25 O ATOM 0 H ASP A 86 -2.612 -1.441 -16.806 1.00 3.30 H new ATOM 0 HA ASP A 86 -2.260 0.076 -19.282 1.00 24.33 H new ATOM 0 HB2 ASP A 86 -4.587 -0.285 -17.351 1.00 12.34 H new ATOM 0 HB3 ASP A 86 -4.651 0.756 -18.760 1.00 12.34 H new ATOM 1479 N GLU A 87 -1.297 2.099 -18.096 1.00 32.11 N ATOM 1480 CA GLU A 87 -0.817 3.364 -17.511 1.00 20.21 C ATOM 1481 C GLU A 87 -1.779 4.540 -17.760 1.00 50.31 C ATOM 1482 O GLU A 87 -1.680 5.551 -17.076 1.00 15.25 O ATOM 1483 CB GLU A 87 0.601 3.712 -18.007 1.00 72.24 C ATOM 1484 CG GLU A 87 1.684 2.689 -17.606 1.00 22.10 C ATOM 1485 CD GLU A 87 3.098 3.178 -17.950 1.00 13.04 C ATOM 1486 OE1 GLU A 87 3.697 3.904 -17.127 1.00 14.31 O ATOM 1487 OE2 GLU A 87 3.600 2.872 -19.049 1.00 25.55 O ATOM 0 H GLU A 87 -0.766 1.796 -18.913 1.00 32.11 H new ATOM 0 HA GLU A 87 -0.779 3.203 -16.434 1.00 20.21 H new ATOM 0 HB2 GLU A 87 0.582 3.796 -19.094 1.00 72.24 H new ATOM 0 HB3 GLU A 87 0.880 4.691 -17.616 1.00 72.24 H new ATOM 0 HG2 GLU A 87 1.619 2.494 -16.536 1.00 22.10 H new ATOM 0 HG3 GLU A 87 1.495 1.744 -18.114 1.00 22.10 H new ATOM 1494 N ASN A 88 -2.690 4.411 -18.743 1.00 34.12 N ATOM 1495 CA ASN A 88 -3.768 5.403 -18.966 1.00 14.31 C ATOM 1496 C ASN A 88 -4.705 5.415 -17.751 1.00 51.14 C ATOM 1497 O ASN A 88 -5.010 6.471 -17.198 1.00 52.11 O ATOM 1498 CB ASN A 88 -4.573 5.092 -20.259 1.00 60.02 C ATOM 1499 CG ASN A 88 -3.766 5.257 -21.547 1.00 71.12 C ATOM 1500 OD1 ASN A 88 -2.547 5.094 -21.570 1.00 21.13 O ATOM 1501 ND2 ASN A 88 -4.454 5.578 -22.631 1.00 14.04 N ATOM 0 H ASN A 88 -2.704 3.629 -19.398 1.00 34.12 H new ATOM 0 HA ASN A 88 -3.311 6.385 -19.092 1.00 14.31 H new ATOM 0 HB2 ASN A 88 -4.947 4.070 -20.205 1.00 60.02 H new ATOM 0 HB3 ASN A 88 -5.443 5.748 -20.300 1.00 60.02 H new ATOM 0 HD21 ASN A 88 -3.974 5.698 -23.523 1.00 14.04 H new ATOM 0 HD22 ASN A 88 -5.464 5.705 -22.575 1.00 14.04 H new ATOM 1508 N GLU A 89 -5.094 4.206 -17.312 1.00 71.12 N ATOM 1509 CA GLU A 89 -5.978 4.013 -16.155 1.00 25.34 C ATOM 1510 C GLU A 89 -5.205 4.234 -14.851 1.00 2.42 C ATOM 1511 O GLU A 89 -5.742 4.790 -13.895 1.00 5.40 O ATOM 1512 CB GLU A 89 -6.591 2.588 -16.176 1.00 64.35 C ATOM 1513 CG GLU A 89 -7.369 2.255 -17.459 1.00 3.43 C ATOM 1514 CD GLU A 89 -8.488 3.263 -17.774 1.00 31.24 C ATOM 1515 OE1 GLU A 89 -9.499 3.295 -17.046 1.00 24.35 O ATOM 1516 OE2 GLU A 89 -8.360 4.031 -18.748 1.00 63.34 O ATOM 0 H GLU A 89 -4.802 3.334 -17.753 1.00 71.12 H new ATOM 0 HA GLU A 89 -6.786 4.743 -16.212 1.00 25.34 H new ATOM 0 HB2 GLU A 89 -5.791 1.859 -16.050 1.00 64.35 H new ATOM 0 HB3 GLU A 89 -7.259 2.479 -15.321 1.00 64.35 H new ATOM 0 HG2 GLU A 89 -6.674 2.221 -18.298 1.00 3.43 H new ATOM 0 HG3 GLU A 89 -7.803 1.260 -17.364 1.00 3.43 H new ATOM 1523 N LEU A 90 -3.932 3.797 -14.850 1.00 53.33 N ATOM 1524 CA LEU A 90 -3.061 3.818 -13.670 1.00 21.10 C ATOM 1525 C LEU A 90 -2.740 5.252 -13.258 1.00 55.42 C ATOM 1526 O LEU A 90 -2.936 5.604 -12.103 1.00 24.41 O ATOM 1527 CB LEU A 90 -1.764 3.018 -13.948 1.00 70.13 C ATOM 1528 CG LEU A 90 -0.729 2.932 -12.785 1.00 62.30 C ATOM 1529 CD1 LEU A 90 -1.395 2.431 -11.499 1.00 71.13 C ATOM 1530 CD2 LEU A 90 0.476 2.040 -13.172 1.00 21.44 C ATOM 0 H LEU A 90 -3.478 3.416 -15.680 1.00 53.33 H new ATOM 0 HA LEU A 90 -3.587 3.344 -12.842 1.00 21.10 H new ATOM 0 HB2 LEU A 90 -2.044 2.003 -14.229 1.00 70.13 H new ATOM 0 HB3 LEU A 90 -1.269 3.463 -14.811 1.00 70.13 H new ATOM 0 HG LEU A 90 -0.350 3.937 -12.599 1.00 62.30 H new ATOM 0 HD11 LEU A 90 -0.654 2.379 -10.702 1.00 71.13 H new ATOM 0 HD12 LEU A 90 -2.191 3.117 -11.210 1.00 71.13 H new ATOM 0 HD13 LEU A 90 -1.815 1.440 -11.669 1.00 71.13 H new ATOM 0 HD21 LEU A 90 1.180 1.999 -12.341 1.00 21.44 H new ATOM 0 HD22 LEU A 90 0.125 1.033 -13.400 1.00 21.44 H new ATOM 0 HD23 LEU A 90 0.972 2.458 -14.048 1.00 21.44 H new ATOM 1542 N GLU A 91 -2.270 6.059 -14.225 1.00 3.05 N ATOM 1543 CA GLU A 91 -1.933 7.472 -14.007 1.00 5.13 C ATOM 1544 C GLU A 91 -3.169 8.238 -13.521 1.00 23.41 C ATOM 1545 O GLU A 91 -3.115 8.867 -12.475 1.00 32.42 O ATOM 1546 CB GLU A 91 -1.397 8.089 -15.320 1.00 10.50 C ATOM 1547 CG GLU A 91 -0.849 9.528 -15.211 1.00 2.15 C ATOM 1548 CD GLU A 91 0.496 9.653 -14.472 1.00 33.42 C ATOM 1549 OE1 GLU A 91 1.389 8.815 -14.697 1.00 63.23 O ATOM 1550 OE2 GLU A 91 0.678 10.597 -13.682 1.00 61.01 O ATOM 0 H GLU A 91 -2.113 5.746 -15.183 1.00 3.05 H new ATOM 0 HA GLU A 91 -1.159 7.543 -13.243 1.00 5.13 H new ATOM 0 HB2 GLU A 91 -0.605 7.447 -15.704 1.00 10.50 H new ATOM 0 HB3 GLU A 91 -2.200 8.081 -16.057 1.00 10.50 H new ATOM 0 HG2 GLU A 91 -0.735 9.935 -16.216 1.00 2.15 H new ATOM 0 HG3 GLU A 91 -1.587 10.145 -14.699 1.00 2.15 H new ATOM 1557 N GLU A 92 -4.279 8.090 -14.270 1.00 74.13 N ATOM 1558 CA GLU A 92 -5.563 8.773 -14.012 1.00 0.13 C ATOM 1559 C GLU A 92 -6.038 8.556 -12.552 1.00 5.51 C ATOM 1560 O GLU A 92 -6.330 9.513 -11.827 1.00 51.51 O ATOM 1561 CB GLU A 92 -6.625 8.226 -15.014 1.00 14.23 C ATOM 1562 CG GLU A 92 -7.541 9.280 -15.661 1.00 4.42 C ATOM 1563 CD GLU A 92 -8.377 10.123 -14.682 1.00 53.34 C ATOM 1564 OE1 GLU A 92 -9.149 9.545 -13.889 1.00 71.35 O ATOM 1565 OE2 GLU A 92 -8.268 11.370 -14.691 1.00 34.55 O ATOM 0 H GLU A 92 -4.309 7.481 -15.087 1.00 74.13 H new ATOM 0 HA GLU A 92 -5.430 9.846 -14.152 1.00 0.13 H new ATOM 0 HB2 GLU A 92 -6.106 7.688 -15.807 1.00 14.23 H new ATOM 0 HB3 GLU A 92 -7.249 7.501 -14.492 1.00 14.23 H new ATOM 0 HG2 GLU A 92 -6.926 9.953 -16.258 1.00 4.42 H new ATOM 0 HG3 GLU A 92 -8.219 8.774 -16.348 1.00 4.42 H new ATOM 1572 N PHE A 93 -6.087 7.272 -12.161 1.00 73.13 N ATOM 1573 CA PHE A 93 -6.474 6.821 -10.812 1.00 45.14 C ATOM 1574 C PHE A 93 -5.486 7.343 -9.745 1.00 71.44 C ATOM 1575 O PHE A 93 -5.897 7.786 -8.669 1.00 35.11 O ATOM 1576 CB PHE A 93 -6.546 5.266 -10.824 1.00 13.21 C ATOM 1577 CG PHE A 93 -6.850 4.611 -9.480 1.00 74.21 C ATOM 1578 CD1 PHE A 93 -8.022 4.917 -8.789 1.00 15.22 C ATOM 1579 CD2 PHE A 93 -5.969 3.684 -8.909 1.00 4.10 C ATOM 1580 CE1 PHE A 93 -8.298 4.329 -7.577 1.00 33.31 C ATOM 1581 CE2 PHE A 93 -6.254 3.094 -7.693 1.00 11.41 C ATOM 1582 CZ PHE A 93 -7.417 3.421 -7.028 1.00 32.53 C ATOM 0 H PHE A 93 -5.854 6.501 -12.787 1.00 73.13 H new ATOM 0 HA PHE A 93 -7.451 7.226 -10.547 1.00 45.14 H new ATOM 0 HB2 PHE A 93 -7.311 4.961 -11.538 1.00 13.21 H new ATOM 0 HB3 PHE A 93 -5.595 4.879 -11.190 1.00 13.21 H new ATOM 0 HD1 PHE A 93 -8.721 5.624 -9.211 1.00 15.22 H new ATOM 0 HD2 PHE A 93 -5.056 3.427 -9.426 1.00 4.10 H new ATOM 0 HE1 PHE A 93 -9.208 4.579 -7.053 1.00 33.31 H new ATOM 0 HE2 PHE A 93 -5.568 2.379 -7.264 1.00 11.41 H new ATOM 0 HZ PHE A 93 -7.639 2.965 -6.075 1.00 32.53 H new ATOM 1592 N LYS A 94 -4.190 7.308 -10.091 1.00 31.33 N ATOM 1593 CA LYS A 94 -3.092 7.740 -9.216 1.00 15.32 C ATOM 1594 C LYS A 94 -3.174 9.254 -8.930 1.00 22.30 C ATOM 1595 O LYS A 94 -2.791 9.679 -7.850 1.00 23.25 O ATOM 1596 CB LYS A 94 -1.737 7.328 -9.872 1.00 13.12 C ATOM 1597 CG LYS A 94 -0.443 7.576 -9.048 1.00 51.52 C ATOM 1598 CD LYS A 94 0.181 8.980 -9.234 1.00 11.01 C ATOM 1599 CE LYS A 94 0.572 9.250 -10.692 1.00 43.32 C ATOM 1600 NZ LYS A 94 1.259 10.556 -10.855 1.00 21.05 N ATOM 0 H LYS A 94 -3.872 6.974 -11.001 1.00 31.33 H new ATOM 0 HA LYS A 94 -3.171 7.246 -8.247 1.00 15.32 H new ATOM 0 HB2 LYS A 94 -1.787 6.266 -10.111 1.00 13.12 H new ATOM 0 HB3 LYS A 94 -1.643 7.863 -10.817 1.00 13.12 H new ATOM 0 HG2 LYS A 94 -0.667 7.430 -7.991 1.00 51.52 H new ATOM 0 HG3 LYS A 94 0.297 6.825 -9.324 1.00 51.52 H new ATOM 0 HD2 LYS A 94 -0.529 9.738 -8.903 1.00 11.01 H new ATOM 0 HD3 LYS A 94 1.063 9.071 -8.600 1.00 11.01 H new ATOM 0 HE2 LYS A 94 1.224 8.451 -11.045 1.00 43.32 H new ATOM 0 HE3 LYS A 94 -0.322 9.231 -11.316 1.00 43.32 H new ATOM 0 HZ1 LYS A 94 0.993 10.976 -11.768 1.00 21.05 H new ATOM 0 HZ2 LYS A 94 0.977 11.195 -10.084 1.00 21.05 H new ATOM 0 HZ3 LYS A 94 2.289 10.413 -10.827 1.00 21.05 H new ATOM 1614 N ARG A 95 -3.704 10.052 -9.896 1.00 51.32 N ATOM 1615 CA ARG A 95 -3.824 11.526 -9.743 1.00 42.35 C ATOM 1616 C ARG A 95 -4.775 11.893 -8.588 1.00 73.22 C ATOM 1617 O ARG A 95 -4.547 12.867 -7.867 1.00 1.15 O ATOM 1618 CB ARG A 95 -4.328 12.201 -11.048 1.00 23.34 C ATOM 1619 CG ARG A 95 -3.505 11.909 -12.324 1.00 0.15 C ATOM 1620 CD ARG A 95 -1.981 12.067 -12.153 1.00 32.44 C ATOM 1621 NE ARG A 95 -1.598 13.440 -11.795 1.00 14.14 N ATOM 1622 CZ ARG A 95 -0.463 14.058 -12.177 1.00 13.51 C ATOM 1623 NH1 ARG A 95 0.435 13.435 -12.937 1.00 25.24 N ATOM 1624 NH2 ARG A 95 -0.238 15.304 -11.799 1.00 10.22 N ATOM 0 H ARG A 95 -4.054 9.699 -10.787 1.00 51.32 H new ATOM 0 HA ARG A 95 -2.824 11.896 -9.518 1.00 42.35 H new ATOM 0 HB2 ARG A 95 -5.357 11.885 -11.223 1.00 23.34 H new ATOM 0 HB3 ARG A 95 -4.348 13.280 -10.891 1.00 23.34 H new ATOM 0 HG2 ARG A 95 -3.717 10.892 -12.653 1.00 0.15 H new ATOM 0 HG3 ARG A 95 -3.840 12.577 -13.118 1.00 0.15 H new ATOM 0 HD2 ARG A 95 -1.632 11.382 -11.381 1.00 32.44 H new ATOM 0 HD3 ARG A 95 -1.483 11.783 -13.080 1.00 32.44 H new ATOM 0 HE ARG A 95 -2.244 13.969 -11.209 1.00 14.14 H new ATOM 0 HH11 ARG A 95 0.269 12.475 -13.239 1.00 25.24 H new ATOM 0 HH12 ARG A 95 1.289 13.918 -13.217 1.00 25.24 H new ATOM 0 HH21 ARG A 95 -0.922 15.793 -11.221 1.00 10.22 H new ATOM 0 HH22 ARG A 95 0.619 15.777 -12.085 1.00 10.22 H new ATOM 1638 N LYS A 96 -5.843 11.086 -8.447 1.00 4.04 N ATOM 1639 CA LYS A 96 -6.833 11.213 -7.359 1.00 72.23 C ATOM 1640 C LYS A 96 -6.163 11.027 -5.990 1.00 25.13 C ATOM 1641 O LYS A 96 -6.365 11.822 -5.067 1.00 72.35 O ATOM 1642 CB LYS A 96 -7.982 10.169 -7.553 1.00 1.34 C ATOM 1643 CG LYS A 96 -9.144 10.626 -8.464 1.00 33.31 C ATOM 1644 CD LYS A 96 -8.706 10.971 -9.909 1.00 25.12 C ATOM 1645 CE LYS A 96 -9.886 11.426 -10.780 1.00 13.34 C ATOM 1646 NZ LYS A 96 -9.446 11.858 -12.130 1.00 23.01 N ATOM 0 H LYS A 96 -6.046 10.321 -9.090 1.00 4.04 H new ATOM 0 HA LYS A 96 -7.260 12.215 -7.394 1.00 72.23 H new ATOM 0 HB2 LYS A 96 -7.555 9.256 -7.968 1.00 1.34 H new ATOM 0 HB3 LYS A 96 -8.388 9.915 -6.574 1.00 1.34 H new ATOM 0 HG2 LYS A 96 -9.896 9.838 -8.501 1.00 33.31 H new ATOM 0 HG3 LYS A 96 -9.620 11.500 -8.020 1.00 33.31 H new ATOM 0 HD2 LYS A 96 -7.953 11.759 -9.880 1.00 25.12 H new ATOM 0 HD3 LYS A 96 -8.237 10.098 -10.363 1.00 25.12 H new ATOM 0 HE2 LYS A 96 -10.602 10.610 -10.876 1.00 13.34 H new ATOM 0 HE3 LYS A 96 -10.405 12.248 -10.287 1.00 13.34 H new ATOM 0 HZ1 LYS A 96 -9.922 12.747 -12.382 1.00 23.01 H new ATOM 0 HZ2 LYS A 96 -8.416 12.005 -12.129 1.00 23.01 H new ATOM 0 HZ3 LYS A 96 -9.690 11.125 -12.826 1.00 23.01 H new ATOM 1660 N ILE A 97 -5.338 9.978 -5.910 1.00 71.51 N ATOM 1661 CA ILE A 97 -4.647 9.562 -4.673 1.00 21.23 C ATOM 1662 C ILE A 97 -3.476 10.521 -4.345 1.00 34.20 C ATOM 1663 O ILE A 97 -3.111 10.730 -3.180 1.00 4.14 O ATOM 1664 CB ILE A 97 -4.101 8.100 -4.817 1.00 15.54 C ATOM 1665 CG1 ILE A 97 -5.186 7.152 -5.417 1.00 61.44 C ATOM 1666 CG2 ILE A 97 -3.616 7.575 -3.449 1.00 54.51 C ATOM 1667 CD1 ILE A 97 -4.644 5.821 -5.889 1.00 15.12 C ATOM 0 H ILE A 97 -5.125 9.382 -6.710 1.00 71.51 H new ATOM 0 HA ILE A 97 -5.370 9.598 -3.858 1.00 21.23 H new ATOM 0 HB ILE A 97 -3.256 8.117 -5.505 1.00 15.54 H new ATOM 0 HG12 ILE A 97 -5.955 6.974 -4.665 1.00 61.44 H new ATOM 0 HG13 ILE A 97 -5.670 7.654 -6.255 1.00 61.44 H new ATOM 0 HG21 ILE A 97 -3.239 6.559 -3.562 1.00 54.51 H new ATOM 0 HG22 ILE A 97 -2.819 8.218 -3.074 1.00 54.51 H new ATOM 0 HG23 ILE A 97 -4.447 7.577 -2.743 1.00 54.51 H new ATOM 0 HD11 ILE A 97 -5.458 5.219 -6.292 1.00 15.12 H new ATOM 0 HD12 ILE A 97 -3.897 5.987 -6.665 1.00 15.12 H new ATOM 0 HD13 ILE A 97 -4.186 5.297 -5.050 1.00 15.12 H new ATOM 1679 N GLU A 98 -2.910 11.091 -5.413 1.00 4.45 N ATOM 1680 CA GLU A 98 -1.815 12.065 -5.355 1.00 64.13 C ATOM 1681 C GLU A 98 -2.331 13.397 -4.776 1.00 51.52 C ATOM 1682 O GLU A 98 -1.624 14.079 -4.028 1.00 34.33 O ATOM 1683 CB GLU A 98 -1.237 12.247 -6.786 1.00 64.24 C ATOM 1684 CG GLU A 98 0.018 13.128 -6.870 1.00 11.42 C ATOM 1685 CD GLU A 98 0.529 13.292 -8.309 1.00 72.31 C ATOM 1686 OE1 GLU A 98 1.335 12.454 -8.769 1.00 14.41 O ATOM 1687 OE2 GLU A 98 0.114 14.250 -8.990 1.00 1.44 O ATOM 0 H GLU A 98 -3.208 10.883 -6.366 1.00 4.45 H new ATOM 0 HA GLU A 98 -1.020 11.709 -4.700 1.00 64.13 H new ATOM 0 HB2 GLU A 98 -1.001 11.264 -7.194 1.00 64.24 H new ATOM 0 HB3 GLU A 98 -2.010 12.679 -7.422 1.00 64.24 H new ATOM 0 HG2 GLU A 98 -0.204 14.110 -6.453 1.00 11.42 H new ATOM 0 HG3 GLU A 98 0.806 12.691 -6.256 1.00 11.42 H new ATOM 1694 N SER A 99 -3.603 13.720 -5.099 1.00 41.43 N ATOM 1695 CA SER A 99 -4.296 14.911 -4.586 1.00 2.55 C ATOM 1696 C SER A 99 -4.691 14.726 -3.102 1.00 74.24 C ATOM 1697 O SER A 99 -4.919 15.713 -2.394 1.00 20.35 O ATOM 1698 CB SER A 99 -5.541 15.207 -5.454 1.00 70.22 C ATOM 1699 OG SER A 99 -6.132 16.457 -5.116 1.00 32.32 O ATOM 0 H SER A 99 -4.176 13.156 -5.726 1.00 41.43 H new ATOM 0 HA SER A 99 -3.617 15.762 -4.643 1.00 2.55 H new ATOM 0 HB2 SER A 99 -5.258 15.211 -6.507 1.00 70.22 H new ATOM 0 HB3 SER A 99 -6.274 14.411 -5.323 1.00 70.22 H new ATOM 0 HG SER A 99 -6.915 16.613 -5.684 1.00 32.32 H new ATOM 1705 N GLN A 100 -4.764 13.453 -2.639 1.00 74.22 N ATOM 1706 CA GLN A 100 -4.965 13.133 -1.209 1.00 54.34 C ATOM 1707 C GLN A 100 -3.685 13.446 -0.396 1.00 42.14 C ATOM 1708 O GLN A 100 -3.717 13.446 0.839 1.00 15.14 O ATOM 1709 CB GLN A 100 -5.343 11.636 -1.022 1.00 30.34 C ATOM 1710 CG GLN A 100 -6.573 11.140 -1.812 1.00 2.51 C ATOM 1711 CD GLN A 100 -7.921 11.713 -1.357 1.00 42.13 C ATOM 1712 OE1 GLN A 100 -8.020 12.839 -0.869 1.00 43.44 O ATOM 1713 NE2 GLN A 100 -8.982 10.930 -1.524 1.00 54.04 N ATOM 0 H GLN A 100 -4.686 12.632 -3.239 1.00 74.22 H new ATOM 0 HA GLN A 100 -5.784 13.752 -0.843 1.00 54.34 H new ATOM 0 HB2 GLN A 100 -4.485 11.028 -1.307 1.00 30.34 H new ATOM 0 HB3 GLN A 100 -5.522 11.458 0.038 1.00 30.34 H new ATOM 0 HG2 GLN A 100 -6.430 11.384 -2.865 1.00 2.51 H new ATOM 0 HG3 GLN A 100 -6.616 10.053 -1.740 1.00 2.51 H new ATOM 0 HE21 GLN A 100 -8.871 10.001 -1.931 1.00 54.04 H new ATOM 0 HE22 GLN A 100 -9.907 11.258 -1.245 1.00 54.04 H new ATOM 1722 N GLY A 101 -2.561 13.684 -1.108 1.00 20.32 N ATOM 1723 CA GLY A 101 -1.285 14.023 -0.482 1.00 10.23 C ATOM 1724 C GLY A 101 -0.562 12.791 0.023 1.00 54.24 C ATOM 1725 O GLY A 101 -0.180 12.721 1.193 1.00 12.43 O ATOM 0 H GLY A 101 -2.523 13.644 -2.127 1.00 20.32 H new ATOM 0 HA2 GLY A 101 -0.654 14.545 -1.201 1.00 10.23 H new ATOM 0 HA3 GLY A 101 -1.458 14.709 0.347 1.00 10.23 H new ATOM 1729 N TYR A 102 -0.389 11.805 -0.864 1.00 61.33 N ATOM 1730 CA TYR A 102 0.304 10.544 -0.543 1.00 31.01 C ATOM 1731 C TYR A 102 1.405 10.280 -1.573 1.00 12.45 C ATOM 1732 O TYR A 102 1.243 10.622 -2.751 1.00 44.14 O ATOM 1733 CB TYR A 102 -0.703 9.357 -0.495 1.00 45.33 C ATOM 1734 CG TYR A 102 -1.744 9.441 0.637 1.00 41.35 C ATOM 1735 CD1 TYR A 102 -1.372 9.847 1.922 1.00 71.01 C ATOM 1736 CD2 TYR A 102 -3.087 9.104 0.430 1.00 74.42 C ATOM 1737 CE1 TYR A 102 -2.290 9.917 2.947 1.00 61.44 C ATOM 1738 CE2 TYR A 102 -4.009 9.174 1.462 1.00 71.21 C ATOM 1739 CZ TYR A 102 -3.600 9.583 2.715 1.00 71.42 C ATOM 1740 OH TYR A 102 -4.504 9.667 3.744 1.00 24.13 O ATOM 0 H TYR A 102 -0.724 11.855 -1.826 1.00 61.33 H new ATOM 0 HA TYR A 102 0.760 10.635 0.443 1.00 31.01 H new ATOM 0 HB2 TYR A 102 -1.227 9.305 -1.449 1.00 45.33 H new ATOM 0 HB3 TYR A 102 -0.143 8.428 -0.387 1.00 45.33 H new ATOM 0 HD1 TYR A 102 -0.343 10.111 2.115 1.00 71.01 H new ATOM 0 HD2 TYR A 102 -3.410 8.784 -0.550 1.00 74.42 H new ATOM 0 HE1 TYR A 102 -1.979 10.234 3.931 1.00 61.44 H new ATOM 0 HE2 TYR A 102 -5.042 8.910 1.287 1.00 71.21 H new ATOM 0 HH TYR A 102 -5.194 8.980 3.630 1.00 24.13 H new ATOM 1750 N GLU A 103 2.524 9.686 -1.115 1.00 12.33 N ATOM 1751 CA GLU A 103 3.628 9.272 -1.988 1.00 31.24 C ATOM 1752 C GLU A 103 3.213 7.995 -2.729 1.00 20.12 C ATOM 1753 O GLU A 103 3.319 6.893 -2.189 1.00 13.24 O ATOM 1754 CB GLU A 103 4.928 9.050 -1.157 1.00 73.44 C ATOM 1755 CG GLU A 103 6.130 8.453 -1.932 1.00 53.22 C ATOM 1756 CD GLU A 103 6.549 9.283 -3.151 1.00 32.45 C ATOM 1757 OE1 GLU A 103 7.300 10.264 -2.989 1.00 41.02 O ATOM 1758 OE2 GLU A 103 6.116 8.971 -4.275 1.00 10.23 O ATOM 0 H GLU A 103 2.683 9.482 -0.128 1.00 12.33 H new ATOM 0 HA GLU A 103 3.842 10.054 -2.716 1.00 31.24 H new ATOM 0 HB2 GLU A 103 5.233 10.006 -0.732 1.00 73.44 H new ATOM 0 HB3 GLU A 103 4.694 8.390 -0.322 1.00 73.44 H new ATOM 0 HG2 GLU A 103 6.979 8.363 -1.255 1.00 53.22 H new ATOM 0 HG3 GLU A 103 5.876 7.445 -2.260 1.00 53.22 H new ATOM 1765 N VAL A 104 2.688 8.162 -3.948 1.00 32.31 N ATOM 1766 CA VAL A 104 2.163 7.054 -4.747 1.00 0.42 C ATOM 1767 C VAL A 104 3.067 6.831 -5.965 1.00 52.21 C ATOM 1768 O VAL A 104 3.084 7.653 -6.887 1.00 33.25 O ATOM 1769 CB VAL A 104 0.696 7.343 -5.218 1.00 2.53 C ATOM 1770 CG1 VAL A 104 0.082 6.092 -5.873 1.00 11.52 C ATOM 1771 CG2 VAL A 104 -0.173 7.840 -4.045 1.00 2.22 C ATOM 0 H VAL A 104 2.616 9.070 -4.407 1.00 32.31 H new ATOM 0 HA VAL A 104 2.149 6.157 -4.128 1.00 0.42 H new ATOM 0 HB VAL A 104 0.727 8.136 -5.965 1.00 2.53 H new ATOM 0 HG11 VAL A 104 -0.936 6.312 -6.194 1.00 11.52 H new ATOM 0 HG12 VAL A 104 0.680 5.803 -6.737 1.00 11.52 H new ATOM 0 HG13 VAL A 104 0.067 5.274 -5.152 1.00 11.52 H new ATOM 0 HG21 VAL A 104 -1.186 8.033 -4.399 1.00 2.22 H new ATOM 0 HG22 VAL A 104 -0.200 7.080 -3.265 1.00 2.22 H new ATOM 0 HG23 VAL A 104 0.252 8.759 -3.641 1.00 2.22 H new ATOM 1781 N ARG A 105 3.815 5.722 -5.968 1.00 43.42 N ATOM 1782 CA ARG A 105 4.717 5.375 -7.075 1.00 31.02 C ATOM 1783 C ARG A 105 4.055 4.299 -7.949 1.00 1.13 C ATOM 1784 O ARG A 105 3.259 3.495 -7.461 1.00 2.43 O ATOM 1785 CB ARG A 105 6.102 4.885 -6.527 1.00 35.30 C ATOM 1786 CG ARG A 105 7.325 5.595 -7.135 1.00 53.30 C ATOM 1787 CD ARG A 105 7.356 7.095 -6.776 1.00 74.45 C ATOM 1788 NE ARG A 105 8.536 7.795 -7.315 1.00 13.33 N ATOM 1789 CZ ARG A 105 8.856 9.072 -7.056 1.00 60.02 C ATOM 1790 NH1 ARG A 105 8.096 9.825 -6.259 1.00 64.10 N ATOM 1791 NH2 ARG A 105 9.946 9.603 -7.591 1.00 1.53 N ATOM 0 H ARG A 105 3.813 5.042 -5.208 1.00 43.42 H new ATOM 0 HA ARG A 105 4.901 6.260 -7.684 1.00 31.02 H new ATOM 0 HB2 ARG A 105 6.119 5.024 -5.446 1.00 35.30 H new ATOM 0 HB3 ARG A 105 6.192 3.815 -6.712 1.00 35.30 H new ATOM 0 HG2 ARG A 105 8.237 5.117 -6.778 1.00 53.30 H new ATOM 0 HG3 ARG A 105 7.309 5.481 -8.219 1.00 53.30 H new ATOM 0 HD2 ARG A 105 6.453 7.572 -7.157 1.00 74.45 H new ATOM 0 HD3 ARG A 105 7.341 7.203 -5.691 1.00 74.45 H new ATOM 0 HE ARG A 105 9.156 7.269 -7.931 1.00 13.33 H new ATOM 0 HH11 ARG A 105 7.256 9.432 -5.835 1.00 64.10 H new ATOM 0 HH12 ARG A 105 8.355 10.794 -6.074 1.00 64.10 H new ATOM 0 HH21 ARG A 105 10.541 9.041 -8.199 1.00 1.53 H new ATOM 0 HH22 ARG A 105 10.190 10.574 -7.394 1.00 1.53 H new ATOM 1805 N LYS A 106 4.390 4.301 -9.236 1.00 54.23 N ATOM 1806 CA LYS A 106 3.936 3.288 -10.198 1.00 14.12 C ATOM 1807 C LYS A 106 5.044 2.236 -10.383 1.00 43.42 C ATOM 1808 O LYS A 106 6.224 2.524 -10.140 1.00 14.42 O ATOM 1809 CB LYS A 106 3.619 3.993 -11.537 1.00 23.33 C ATOM 1810 CG LYS A 106 2.469 5.037 -11.462 1.00 5.44 C ATOM 1811 CD LYS A 106 2.475 6.001 -12.675 1.00 63.32 C ATOM 1812 CE LYS A 106 2.381 5.291 -14.043 1.00 51.42 C ATOM 1813 NZ LYS A 106 2.661 6.225 -15.175 1.00 24.04 N ATOM 0 H LYS A 106 4.992 5.013 -9.650 1.00 54.23 H new ATOM 0 HA LYS A 106 3.039 2.785 -9.837 1.00 14.12 H new ATOM 0 HB2 LYS A 106 4.521 4.490 -11.893 1.00 23.33 H new ATOM 0 HB3 LYS A 106 3.358 3.237 -12.278 1.00 23.33 H new ATOM 0 HG2 LYS A 106 1.512 4.518 -11.417 1.00 5.44 H new ATOM 0 HG3 LYS A 106 2.563 5.613 -10.541 1.00 5.44 H new ATOM 0 HD2 LYS A 106 1.639 6.694 -12.579 1.00 63.32 H new ATOM 0 HD3 LYS A 106 3.388 6.596 -12.648 1.00 63.32 H new ATOM 0 HE2 LYS A 106 3.089 4.463 -14.072 1.00 51.42 H new ATOM 0 HE3 LYS A 106 1.386 4.863 -14.163 1.00 51.42 H new ATOM 0 HZ1 LYS A 106 2.285 5.823 -16.058 1.00 24.04 H new ATOM 0 HZ2 LYS A 106 2.205 7.141 -14.990 1.00 24.04 H new ATOM 0 HZ3 LYS A 106 3.688 6.362 -15.267 1.00 24.04 H new ATOM 1827 N VAL A 107 4.657 1.015 -10.793 1.00 20.05 N ATOM 1828 CA VAL A 107 5.606 -0.078 -11.094 1.00 71.03 C ATOM 1829 C VAL A 107 4.977 -1.073 -12.087 1.00 14.15 C ATOM 1830 O VAL A 107 3.748 -1.214 -12.150 1.00 74.42 O ATOM 1831 CB VAL A 107 6.064 -0.821 -9.781 1.00 42.53 C ATOM 1832 CG1 VAL A 107 4.888 -1.464 -9.027 1.00 40.52 C ATOM 1833 CG2 VAL A 107 7.160 -1.860 -10.060 1.00 30.00 C ATOM 0 H VAL A 107 3.679 0.756 -10.926 1.00 20.05 H new ATOM 0 HA VAL A 107 6.492 0.363 -11.551 1.00 71.03 H new ATOM 0 HB VAL A 107 6.486 -0.052 -9.134 1.00 42.53 H new ATOM 0 HG11 VAL A 107 5.259 -1.962 -8.131 1.00 40.52 H new ATOM 0 HG12 VAL A 107 4.172 -0.692 -8.743 1.00 40.52 H new ATOM 0 HG13 VAL A 107 4.398 -2.194 -9.671 1.00 40.52 H new ATOM 0 HG21 VAL A 107 7.445 -2.347 -9.128 1.00 30.00 H new ATOM 0 HG22 VAL A 107 6.784 -2.607 -10.760 1.00 30.00 H new ATOM 0 HG23 VAL A 107 8.030 -1.364 -10.491 1.00 30.00 H new ATOM 1843 N THR A 108 5.835 -1.746 -12.875 1.00 54.01 N ATOM 1844 CA THR A 108 5.411 -2.768 -13.845 1.00 30.40 C ATOM 1845 C THR A 108 6.027 -4.147 -13.523 1.00 13.30 C ATOM 1846 O THR A 108 5.351 -5.171 -13.641 1.00 0.55 O ATOM 1847 CB THR A 108 5.803 -2.332 -15.295 1.00 11.21 C ATOM 1848 OG1 THR A 108 7.189 -1.956 -15.315 1.00 33.14 O ATOM 1849 CG2 THR A 108 4.939 -1.160 -15.815 1.00 54.44 C ATOM 0 H THR A 108 6.844 -1.595 -12.856 1.00 54.01 H new ATOM 0 HA THR A 108 4.327 -2.861 -13.776 1.00 30.40 H new ATOM 0 HB THR A 108 5.625 -3.181 -15.956 1.00 11.21 H new ATOM 0 HG1 THR A 108 7.747 -2.758 -15.238 1.00 33.14 H new ATOM 0 HG21 THR A 108 5.253 -0.897 -16.825 1.00 54.44 H new ATOM 0 HG22 THR A 108 3.891 -1.458 -15.826 1.00 54.44 H new ATOM 0 HG23 THR A 108 5.064 -0.297 -15.160 1.00 54.44 H new ATOM 1857 N ASP A 109 7.311 -4.166 -13.123 1.00 53.02 N ATOM 1858 CA ASP A 109 8.079 -5.422 -12.946 1.00 35.44 C ATOM 1859 C ASP A 109 8.045 -5.903 -11.486 1.00 33.43 C ATOM 1860 O ASP A 109 7.878 -5.098 -10.560 1.00 70.00 O ATOM 1861 CB ASP A 109 9.539 -5.211 -13.414 1.00 73.13 C ATOM 1862 CG ASP A 109 9.632 -4.746 -14.876 1.00 31.24 C ATOM 1863 OD1 ASP A 109 9.512 -5.593 -15.791 1.00 24.32 O ATOM 1864 OD2 ASP A 109 9.788 -3.527 -15.116 1.00 72.31 O ATOM 0 H ASP A 109 7.846 -3.323 -12.914 1.00 53.02 H new ATOM 0 HA ASP A 109 7.613 -6.196 -13.556 1.00 35.44 H new ATOM 0 HB2 ASP A 109 10.019 -4.473 -12.771 1.00 73.13 H new ATOM 0 HB3 ASP A 109 10.092 -6.143 -13.298 1.00 73.13 H new ATOM 1869 N ASP A 110 8.239 -7.233 -11.304 1.00 65.55 N ATOM 1870 CA ASP A 110 8.141 -7.910 -9.992 1.00 15.32 C ATOM 1871 C ASP A 110 9.297 -7.523 -9.050 1.00 73.15 C ATOM 1872 O ASP A 110 9.065 -7.215 -7.880 1.00 63.43 O ATOM 1873 CB ASP A 110 8.074 -9.464 -10.167 1.00 0.43 C ATOM 1874 CG ASP A 110 9.365 -10.116 -10.691 1.00 62.54 C ATOM 1875 OD1 ASP A 110 9.703 -9.903 -11.873 1.00 14.23 O ATOM 1876 OD2 ASP A 110 10.046 -10.843 -9.930 1.00 41.35 O ATOM 0 H ASP A 110 8.469 -7.867 -12.069 1.00 65.55 H new ATOM 0 HA ASP A 110 7.215 -7.570 -9.529 1.00 15.32 H new ATOM 0 HB2 ASP A 110 7.823 -9.912 -9.206 1.00 0.43 H new ATOM 0 HB3 ASP A 110 7.260 -9.703 -10.852 1.00 0.43 H new ATOM 1881 N GLU A 111 10.534 -7.518 -9.578 1.00 64.03 N ATOM 1882 CA GLU A 111 11.741 -7.223 -8.777 1.00 32.04 C ATOM 1883 C GLU A 111 11.775 -5.727 -8.420 1.00 51.10 C ATOM 1884 O GLU A 111 12.156 -5.344 -7.315 1.00 61.53 O ATOM 1885 CB GLU A 111 13.020 -7.642 -9.547 1.00 34.30 C ATOM 1886 CG GLU A 111 13.089 -9.144 -9.895 1.00 43.33 C ATOM 1887 CD GLU A 111 14.283 -9.510 -10.795 1.00 13.32 C ATOM 1888 OE1 GLU A 111 15.422 -9.570 -10.291 1.00 54.02 O ATOM 1889 OE2 GLU A 111 14.090 -9.703 -12.015 1.00 33.14 O ATOM 0 H GLU A 111 10.727 -7.716 -10.560 1.00 64.03 H new ATOM 0 HA GLU A 111 11.706 -7.799 -7.852 1.00 32.04 H new ATOM 0 HB2 GLU A 111 13.080 -7.064 -10.469 1.00 34.30 H new ATOM 0 HB3 GLU A 111 13.892 -7.379 -8.949 1.00 34.30 H new ATOM 0 HG2 GLU A 111 13.149 -9.721 -8.972 1.00 43.33 H new ATOM 0 HG3 GLU A 111 12.165 -9.436 -10.394 1.00 43.33 H new ATOM 1896 N GLU A 112 11.328 -4.907 -9.386 1.00 11.04 N ATOM 1897 CA GLU A 112 11.205 -3.454 -9.250 1.00 70.45 C ATOM 1898 C GLU A 112 10.184 -3.086 -8.161 1.00 33.25 C ATOM 1899 O GLU A 112 10.394 -2.130 -7.419 1.00 72.53 O ATOM 1900 CB GLU A 112 10.816 -2.868 -10.628 1.00 34.53 C ATOM 1901 CG GLU A 112 10.709 -1.337 -10.685 1.00 31.40 C ATOM 1902 CD GLU A 112 10.353 -0.824 -12.088 1.00 75.41 C ATOM 1903 OE1 GLU A 112 9.212 -1.066 -12.548 1.00 2.34 O ATOM 1904 OE2 GLU A 112 11.203 -0.172 -12.732 1.00 31.20 O ATOM 0 H GLU A 112 11.037 -5.248 -10.302 1.00 11.04 H new ATOM 0 HA GLU A 112 12.157 -3.026 -8.935 1.00 70.45 H new ATOM 0 HB2 GLU A 112 11.553 -3.192 -11.363 1.00 34.53 H new ATOM 0 HB3 GLU A 112 9.859 -3.294 -10.928 1.00 34.53 H new ATOM 0 HG2 GLU A 112 9.951 -1.002 -9.976 1.00 31.40 H new ATOM 0 HG3 GLU A 112 11.656 -0.898 -10.371 1.00 31.40 H new ATOM 1911 N ALA A 113 9.100 -3.885 -8.055 1.00 11.13 N ATOM 1912 CA ALA A 113 8.087 -3.710 -7.001 1.00 23.22 C ATOM 1913 C ALA A 113 8.708 -3.917 -5.614 1.00 4.41 C ATOM 1914 O ALA A 113 8.511 -3.097 -4.723 1.00 11.21 O ATOM 1915 CB ALA A 113 6.913 -4.662 -7.224 1.00 12.34 C ATOM 0 H ALA A 113 8.907 -4.659 -8.691 1.00 11.13 H new ATOM 0 HA ALA A 113 7.709 -2.689 -7.051 1.00 23.22 H new ATOM 0 HB1 ALA A 113 6.174 -4.519 -6.436 1.00 12.34 H new ATOM 0 HB2 ALA A 113 6.456 -4.456 -8.192 1.00 12.34 H new ATOM 0 HB3 ALA A 113 7.270 -5.692 -7.204 1.00 12.34 H new ATOM 1921 N LEU A 114 9.529 -4.984 -5.489 1.00 4.25 N ATOM 1922 CA LEU A 114 10.250 -5.315 -4.242 1.00 53.31 C ATOM 1923 C LEU A 114 11.187 -4.158 -3.831 1.00 13.20 C ATOM 1924 O LEU A 114 11.380 -3.891 -2.639 1.00 30.43 O ATOM 1925 CB LEU A 114 11.070 -6.620 -4.426 1.00 43.54 C ATOM 1926 CG LEU A 114 10.271 -7.868 -4.906 1.00 31.33 C ATOM 1927 CD1 LEU A 114 11.197 -9.078 -5.099 1.00 43.11 C ATOM 1928 CD2 LEU A 114 9.123 -8.202 -3.946 1.00 55.02 C ATOM 0 H LEU A 114 9.709 -5.639 -6.250 1.00 4.25 H new ATOM 0 HA LEU A 114 9.515 -5.465 -3.451 1.00 53.31 H new ATOM 0 HB2 LEU A 114 11.867 -6.426 -5.143 1.00 43.54 H new ATOM 0 HB3 LEU A 114 11.547 -6.862 -3.477 1.00 43.54 H new ATOM 0 HG LEU A 114 9.832 -7.623 -5.873 1.00 31.33 H new ATOM 0 HD11 LEU A 114 10.612 -9.934 -5.434 1.00 43.11 H new ATOM 0 HD12 LEU A 114 11.954 -8.841 -5.846 1.00 43.11 H new ATOM 0 HD13 LEU A 114 11.683 -9.319 -4.154 1.00 43.11 H new ATOM 0 HD21 LEU A 114 8.587 -9.078 -4.311 1.00 55.02 H new ATOM 0 HD22 LEU A 114 9.526 -8.411 -2.955 1.00 55.02 H new ATOM 0 HD23 LEU A 114 8.439 -7.355 -3.888 1.00 55.02 H new ATOM 1940 N LYS A 115 11.733 -3.465 -4.853 1.00 0.01 N ATOM 1941 CA LYS A 115 12.640 -2.325 -4.665 1.00 41.32 C ATOM 1942 C LYS A 115 11.896 -1.101 -4.130 1.00 13.34 C ATOM 1943 O LYS A 115 12.284 -0.566 -3.108 1.00 44.55 O ATOM 1944 CB LYS A 115 13.373 -1.975 -5.986 1.00 40.34 C ATOM 1945 CG LYS A 115 14.320 -3.081 -6.495 1.00 15.13 C ATOM 1946 CD LYS A 115 15.501 -3.395 -5.542 1.00 64.21 C ATOM 1947 CE LYS A 115 16.592 -2.303 -5.526 1.00 14.55 C ATOM 1948 NZ LYS A 115 16.181 -1.030 -4.859 1.00 31.22 N ATOM 0 H LYS A 115 11.553 -3.685 -5.833 1.00 0.01 H new ATOM 0 HA LYS A 115 13.383 -2.619 -3.924 1.00 41.32 H new ATOM 0 HB2 LYS A 115 12.631 -1.765 -6.756 1.00 40.34 H new ATOM 0 HB3 LYS A 115 13.947 -1.060 -5.839 1.00 40.34 H new ATOM 0 HG2 LYS A 115 13.744 -3.992 -6.654 1.00 15.13 H new ATOM 0 HG3 LYS A 115 14.719 -2.784 -7.465 1.00 15.13 H new ATOM 0 HD2 LYS A 115 15.116 -3.526 -4.531 1.00 64.21 H new ATOM 0 HD3 LYS A 115 15.952 -4.343 -5.836 1.00 64.21 H new ATOM 0 HE2 LYS A 115 17.474 -2.695 -5.021 1.00 14.55 H new ATOM 0 HE3 LYS A 115 16.884 -2.083 -6.553 1.00 14.55 H new ATOM 0 HZ1 LYS A 115 16.979 -0.652 -4.310 1.00 31.22 H new ATOM 0 HZ2 LYS A 115 15.897 -0.336 -5.580 1.00 31.22 H new ATOM 0 HZ3 LYS A 115 15.380 -1.215 -4.222 1.00 31.22 H new ATOM 1962 N ILE A 116 10.809 -0.686 -4.798 1.00 33.44 N ATOM 1963 CA ILE A 116 10.093 0.552 -4.427 1.00 4.21 C ATOM 1964 C ILE A 116 9.493 0.445 -2.998 1.00 35.24 C ATOM 1965 O ILE A 116 9.469 1.435 -2.269 1.00 2.51 O ATOM 1966 CB ILE A 116 8.989 0.936 -5.479 1.00 62.21 C ATOM 1967 CG1 ILE A 116 9.565 0.969 -6.937 1.00 40.01 C ATOM 1968 CG2 ILE A 116 8.345 2.298 -5.129 1.00 54.41 C ATOM 1969 CD1 ILE A 116 10.696 1.970 -7.180 1.00 71.44 C ATOM 0 H ILE A 116 10.406 -1.183 -5.593 1.00 33.44 H new ATOM 0 HA ILE A 116 10.827 1.358 -4.427 1.00 4.21 H new ATOM 0 HB ILE A 116 8.221 0.163 -5.438 1.00 62.21 H new ATOM 0 HG12 ILE A 116 9.927 -0.028 -7.188 1.00 40.01 H new ATOM 0 HG13 ILE A 116 8.750 1.195 -7.625 1.00 40.01 H new ATOM 0 HG21 ILE A 116 7.585 2.542 -5.871 1.00 54.41 H new ATOM 0 HG22 ILE A 116 7.884 2.240 -4.143 1.00 54.41 H new ATOM 0 HG23 ILE A 116 9.112 3.073 -5.126 1.00 54.41 H new ATOM 0 HD11 ILE A 116 11.019 1.909 -8.219 1.00 71.44 H new ATOM 0 HD12 ILE A 116 10.341 2.979 -6.969 1.00 71.44 H new ATOM 0 HD13 ILE A 116 11.535 1.737 -6.525 1.00 71.44 H new ATOM 1981 N VAL A 117 9.080 -0.779 -2.598 1.00 33.45 N ATOM 1982 CA VAL A 117 8.610 -1.068 -1.223 1.00 11.43 C ATOM 1983 C VAL A 117 9.751 -0.870 -0.199 1.00 23.31 C ATOM 1984 O VAL A 117 9.549 -0.221 0.831 1.00 23.21 O ATOM 1985 CB VAL A 117 8.024 -2.526 -1.096 1.00 70.10 C ATOM 1986 CG1 VAL A 117 7.560 -2.833 0.346 1.00 61.55 C ATOM 1987 CG2 VAL A 117 6.863 -2.749 -2.085 1.00 45.01 C ATOM 0 H VAL A 117 9.063 -1.591 -3.215 1.00 33.45 H new ATOM 0 HA VAL A 117 7.808 -0.362 -1.006 1.00 11.43 H new ATOM 0 HB VAL A 117 8.831 -3.215 -1.346 1.00 70.10 H new ATOM 0 HG11 VAL A 117 7.163 -3.847 0.392 1.00 61.55 H new ATOM 0 HG12 VAL A 117 8.406 -2.743 1.027 1.00 61.55 H new ATOM 0 HG13 VAL A 117 6.784 -2.125 0.637 1.00 61.55 H new ATOM 0 HG21 VAL A 117 6.480 -3.763 -1.974 1.00 45.01 H new ATOM 0 HG22 VAL A 117 6.066 -2.035 -1.877 1.00 45.01 H new ATOM 0 HG23 VAL A 117 7.221 -2.606 -3.105 1.00 45.01 H new ATOM 1997 N ARG A 118 10.954 -1.410 -0.504 1.00 62.12 N ATOM 1998 CA ARG A 118 12.101 -1.339 0.424 1.00 52.13 C ATOM 1999 C ARG A 118 12.626 0.103 0.529 1.00 32.05 C ATOM 2000 O ARG A 118 13.134 0.501 1.584 1.00 2.13 O ATOM 2001 CB ARG A 118 13.243 -2.325 0.044 1.00 25.51 C ATOM 2002 CG ARG A 118 14.117 -1.900 -1.145 1.00 71.14 C ATOM 2003 CD ARG A 118 15.351 -2.780 -1.350 1.00 64.11 C ATOM 2004 NE ARG A 118 16.209 -2.847 -0.148 1.00 55.03 N ATOM 2005 CZ ARG A 118 16.971 -1.847 0.330 1.00 54.45 C ATOM 2006 NH1 ARG A 118 17.029 -0.658 -0.280 1.00 52.24 N ATOM 2007 NH2 ARG A 118 17.660 -2.039 1.440 1.00 3.32 N ATOM 0 H ARG A 118 11.152 -1.895 -1.379 1.00 62.12 H new ATOM 0 HA ARG A 118 11.737 -1.650 1.403 1.00 52.13 H new ATOM 0 HB2 ARG A 118 13.885 -2.462 0.914 1.00 25.51 H new ATOM 0 HB3 ARG A 118 12.801 -3.296 -0.181 1.00 25.51 H new ATOM 0 HG2 ARG A 118 13.514 -1.919 -2.053 1.00 71.14 H new ATOM 0 HG3 ARG A 118 14.438 -0.869 -0.998 1.00 71.14 H new ATOM 0 HD2 ARG A 118 15.033 -3.787 -1.621 1.00 64.11 H new ATOM 0 HD3 ARG A 118 15.933 -2.393 -2.186 1.00 64.11 H new ATOM 0 HE ARG A 118 16.224 -3.729 0.364 1.00 55.03 H new ATOM 0 HH11 ARG A 118 16.487 -0.493 -1.128 1.00 52.24 H new ATOM 0 HH12 ARG A 118 17.615 0.084 0.103 1.00 52.24 H new ATOM 0 HH21 ARG A 118 17.610 -2.936 1.923 1.00 3.32 H new ATOM 0 HH22 ARG A 118 18.242 -1.290 1.815 1.00 3.32 H new ATOM 2021 N GLU A 119 12.477 0.890 -0.567 1.00 73.21 N ATOM 2022 CA GLU A 119 12.848 2.311 -0.568 1.00 23.02 C ATOM 2023 C GLU A 119 11.869 3.097 0.321 1.00 53.35 C ATOM 2024 O GLU A 119 12.293 3.937 1.105 1.00 13.41 O ATOM 2025 CB GLU A 119 12.867 2.913 -2.005 1.00 50.32 C ATOM 2026 CG GLU A 119 13.773 2.183 -3.029 1.00 12.24 C ATOM 2027 CD GLU A 119 15.195 1.868 -2.519 1.00 23.51 C ATOM 2028 OE1 GLU A 119 15.889 2.793 -2.057 1.00 11.02 O ATOM 2029 OE2 GLU A 119 15.627 0.691 -2.580 1.00 23.14 O ATOM 0 H GLU A 119 12.102 0.556 -1.455 1.00 73.21 H new ATOM 0 HA GLU A 119 13.860 2.392 -0.171 1.00 23.02 H new ATOM 0 HB2 GLU A 119 11.847 2.919 -2.390 1.00 50.32 H new ATOM 0 HB3 GLU A 119 13.189 3.952 -1.939 1.00 50.32 H new ATOM 0 HG2 GLU A 119 13.291 1.250 -3.320 1.00 12.24 H new ATOM 0 HG3 GLU A 119 13.851 2.796 -3.927 1.00 12.24 H new ATOM 2036 N PHE A 120 10.557 2.794 0.169 1.00 2.43 N ATOM 2037 CA PHE A 120 9.464 3.370 0.989 1.00 61.12 C ATOM 2038 C PHE A 120 9.694 3.157 2.492 1.00 51.51 C ATOM 2039 O PHE A 120 9.478 4.070 3.280 1.00 24.21 O ATOM 2040 CB PHE A 120 8.087 2.750 0.588 1.00 31.30 C ATOM 2041 CG PHE A 120 7.446 3.289 -0.692 1.00 54.51 C ATOM 2042 CD1 PHE A 120 7.841 4.507 -1.266 1.00 32.44 C ATOM 2043 CD2 PHE A 120 6.392 2.594 -1.289 1.00 70.33 C ATOM 2044 CE1 PHE A 120 7.206 4.993 -2.391 1.00 61.45 C ATOM 2045 CE2 PHE A 120 5.759 3.093 -2.402 1.00 45.12 C ATOM 2046 CZ PHE A 120 6.163 4.287 -2.951 1.00 64.02 C ATOM 0 H PHE A 120 10.224 2.135 -0.535 1.00 2.43 H new ATOM 0 HA PHE A 120 9.457 4.442 0.793 1.00 61.12 H new ATOM 0 HB2 PHE A 120 8.216 1.673 0.478 1.00 31.30 H new ATOM 0 HB3 PHE A 120 7.390 2.905 1.411 1.00 31.30 H new ATOM 0 HD1 PHE A 120 8.650 5.070 -0.823 1.00 32.44 H new ATOM 0 HD2 PHE A 120 6.070 1.652 -0.870 1.00 70.33 H new ATOM 0 HE1 PHE A 120 7.526 5.925 -2.832 1.00 61.45 H new ATOM 0 HE2 PHE A 120 4.941 2.545 -2.847 1.00 45.12 H new ATOM 0 HZ PHE A 120 5.661 4.674 -3.825 1.00 64.02 H new ATOM 2056 N MET A 121 10.095 1.935 2.861 1.00 43.23 N ATOM 2057 CA MET A 121 10.333 1.552 4.264 1.00 3.32 C ATOM 2058 C MET A 121 11.602 2.214 4.837 1.00 43.32 C ATOM 2059 O MET A 121 11.696 2.412 6.050 1.00 13.24 O ATOM 2060 CB MET A 121 10.404 0.013 4.396 1.00 51.14 C ATOM 2061 CG MET A 121 9.097 -0.714 4.040 1.00 42.45 C ATOM 2062 SD MET A 121 9.204 -2.493 4.327 1.00 21.43 S ATOM 2063 CE MET A 121 10.558 -2.954 3.246 1.00 21.32 C ATOM 0 H MET A 121 10.265 1.180 2.197 1.00 43.23 H new ATOM 0 HA MET A 121 9.491 1.916 4.853 1.00 3.32 H new ATOM 0 HB2 MET A 121 11.200 -0.359 3.751 1.00 51.14 H new ATOM 0 HB3 MET A 121 10.679 -0.240 5.420 1.00 51.14 H new ATOM 0 HG2 MET A 121 8.281 -0.301 4.633 1.00 42.45 H new ATOM 0 HG3 MET A 121 8.855 -0.531 2.993 1.00 42.45 H new ATOM 0 HE1 MET A 121 10.700 -4.034 3.281 1.00 21.32 H new ATOM 0 HE2 MET A 121 10.327 -2.651 2.225 1.00 21.32 H new ATOM 0 HE3 MET A 121 11.471 -2.457 3.574 1.00 21.32 H new ATOM 2073 N GLN A 122 12.579 2.534 3.964 1.00 43.42 N ATOM 2074 CA GLN A 122 13.796 3.270 4.363 1.00 54.11 C ATOM 2075 C GLN A 122 13.479 4.776 4.555 1.00 60.50 C ATOM 2076 O GLN A 122 14.002 5.411 5.486 1.00 73.41 O ATOM 2077 CB GLN A 122 14.920 3.051 3.314 1.00 74.42 C ATOM 2078 CG GLN A 122 16.278 3.719 3.646 1.00 53.22 C ATOM 2079 CD GLN A 122 16.870 3.310 5.003 1.00 33.00 C ATOM 2080 OE1 GLN A 122 17.591 2.319 5.115 1.00 61.53 O ATOM 2081 NE2 GLN A 122 16.586 4.089 6.041 1.00 2.43 N ATOM 0 H GLN A 122 12.548 2.293 2.973 1.00 43.42 H new ATOM 0 HA GLN A 122 14.150 2.884 5.319 1.00 54.11 H new ATOM 0 HB2 GLN A 122 15.081 1.979 3.197 1.00 74.42 H new ATOM 0 HB3 GLN A 122 14.574 3.429 2.352 1.00 74.42 H new ATOM 0 HG2 GLN A 122 16.993 3.471 2.862 1.00 53.22 H new ATOM 0 HG3 GLN A 122 16.150 4.801 3.630 1.00 53.22 H new ATOM 0 HE21 GLN A 122 15.985 4.904 5.918 1.00 2.43 H new ATOM 0 HE22 GLN A 122 16.969 3.872 6.961 1.00 2.43 H new ATOM 2090 N LYS A 123 12.604 5.324 3.679 1.00 23.12 N ATOM 2091 CA LYS A 123 12.076 6.705 3.809 1.00 13.21 C ATOM 2092 C LYS A 123 11.317 6.822 5.138 1.00 53.31 C ATOM 2093 O LYS A 123 11.586 7.708 5.951 1.00 22.25 O ATOM 2094 CB LYS A 123 11.103 7.054 2.636 1.00 60.40 C ATOM 2095 CG LYS A 123 11.731 7.066 1.226 1.00 35.32 C ATOM 2096 CD LYS A 123 10.667 7.292 0.116 1.00 1.02 C ATOM 2097 CE LYS A 123 11.267 7.338 -1.300 1.00 11.31 C ATOM 2098 NZ LYS A 123 12.184 8.497 -1.476 1.00 42.40 N ATOM 0 H LYS A 123 12.245 4.825 2.865 1.00 23.12 H new ATOM 0 HA LYS A 123 12.915 7.400 3.778 1.00 13.21 H new ATOM 0 HB2 LYS A 123 10.283 6.336 2.642 1.00 60.40 H new ATOM 0 HB3 LYS A 123 10.669 8.035 2.828 1.00 60.40 H new ATOM 0 HG2 LYS A 123 12.484 7.852 1.171 1.00 35.32 H new ATOM 0 HG3 LYS A 123 12.244 6.120 1.050 1.00 35.32 H new ATOM 0 HD2 LYS A 123 9.927 6.494 0.164 1.00 1.02 H new ATOM 0 HD3 LYS A 123 10.141 8.227 0.311 1.00 1.02 H new ATOM 0 HE2 LYS A 123 11.809 6.413 -1.495 1.00 11.31 H new ATOM 0 HE3 LYS A 123 10.463 7.396 -2.033 1.00 11.31 H new ATOM 0 HZ1 LYS A 123 12.501 8.542 -2.465 1.00 42.40 H new ATOM 0 HZ2 LYS A 123 11.684 9.376 -1.233 1.00 42.40 H new ATOM 0 HZ3 LYS A 123 13.009 8.385 -0.853 1.00 42.40 H new ATOM 2112 N ALA A 124 10.408 5.852 5.332 1.00 64.14 N ATOM 2113 CA ALA A 124 9.550 5.730 6.507 1.00 12.34 C ATOM 2114 C ALA A 124 10.382 5.624 7.783 1.00 71.42 C ATOM 2115 O ALA A 124 10.146 6.362 8.741 1.00 71.31 O ATOM 2116 CB ALA A 124 8.638 4.501 6.355 1.00 43.40 C ATOM 0 H ALA A 124 10.250 5.111 4.649 1.00 64.14 H new ATOM 0 HA ALA A 124 8.934 6.626 6.585 1.00 12.34 H new ATOM 0 HB1 ALA A 124 7.998 4.412 7.233 1.00 43.40 H new ATOM 0 HB2 ALA A 124 8.019 4.615 5.465 1.00 43.40 H new ATOM 0 HB3 ALA A 124 9.249 3.604 6.259 1.00 43.40 H new ATOM 2122 N GLY A 125 11.407 4.754 7.729 1.00 34.21 N ATOM 2123 CA GLY A 125 12.267 4.465 8.873 1.00 63.41 C ATOM 2124 C GLY A 125 13.035 5.685 9.367 1.00 55.05 C ATOM 2125 O GLY A 125 13.396 5.762 10.540 1.00 71.33 O ATOM 0 H GLY A 125 11.656 4.235 6.887 1.00 34.21 H new ATOM 0 HA2 GLY A 125 11.658 4.072 9.687 1.00 63.41 H new ATOM 0 HA3 GLY A 125 12.976 3.683 8.599 1.00 63.41 H new