USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 674 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: B 131 SER OG : rot 180:sc= 1.23 USER MOD Set 1.2: B 134 THR OG1 : rot 128:sc= 1.23 USER MOD Set 2.1: B 116 SER OG : rot -36:sc= 0.0716 USER MOD Set 2.2: B 119 THR OG1 : rot -138:sc= -0.556 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 1.03 USER MOD Set 3.2: A 34 THR OG1 : rot 124:sc= 0.99 USER MOD Set 4.1: A 16 SER OG : rot -37:sc= 0.0193 USER MOD Set 4.2: A 19 THR OG1 : rot -137:sc= -0.667 USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.559 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -154:sc= 1.23 USER MOD Single : A 21 SER OG : rot -104:sc= 1.18 USER MOD Single : A 25 ASN : amide:sc= 1.14 K(o=1.1,f=-0.18) USER MOD Single : A 26 GLN : amide:sc= -0.77 X(o=-0.77,f=-0.83) USER MOD Single : A 28 SER OG : rot 53:sc= 0.82 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.12 F(o=-0.54,f=0.12) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.971) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.655) USER MOD Single : A 42 MET CE :methyl -174:sc= -4.01! (180deg=-4.71!) USER MOD Single : A 46 ASN : amide:sc= -0.0845 K(o=-0.085,f=-1.7!) USER MOD Single : A 47 TYR OH : rot 1:sc= -0.233 USER MOD Single : A 50 ASN : amide:sc= -0.0571 X(o=-0.057,f=-0.42) USER MOD Single : A 54 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.72) USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= 0.396 (180deg=-0.523) USER MOD Single : B 105 THR OG1 : rot 12:sc= 1.12 USER MOD Single : B 107 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot -157:sc= 1.08 USER MOD Single : B 121 SER OG : rot -103:sc= 1.29 USER MOD Single : B 125 ASN : amide:sc= 1.27 K(o=1.3,f=-0.18) USER MOD Single : B 126 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.72) USER MOD Single : B 128 SER OG : rot 52:sc= 1.02 USER MOD Single : B 129 HIS : no HD1:sc= -0.297 X(o=-0.3,f=0.036) USER MOD Single : B 133 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.15) USER MOD Single : B 137 LYS NZ :NH3+ -161:sc= -0.112 (180deg=-0.525) USER MOD Single : B 142 MET CE :methyl -166:sc= -4.67! (180deg=-5.4!) USER MOD Single : B 146 ASN : amide:sc= -0.0911 K(o=-0.091,f=-1.7!) USER MOD Single : B 147 TYR OH : rot 1:sc= -0.311 USER MOD Single : B 150 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.72) USER MOD Single : B 154 GLN : amide:sc=-0.00618 K(o=-0.0062,f=-1.9) USER MOD Single : B 155 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.52) USER MOD Single : B 159 LYS NZ :NH3+ 155:sc= 0.731 (180deg=-0.317) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.132 14.789 5.542 1.00 10.04 N ATOM 43 CA PRO A 3 5.418 15.214 6.100 1.00 9.38 C ATOM 44 C PRO A 3 6.589 14.608 5.348 1.00 8.65 C ATOM 45 O PRO A 3 6.411 14.014 4.278 1.00 8.77 O ATOM 46 CB PRO A 3 5.402 14.659 7.530 1.00 8.67 C ATOM 47 CG PRO A 3 4.042 14.078 7.743 1.00 9.28 C ATOM 48 CD PRO A 3 3.496 13.767 6.382 1.00 9.72 C ATOM 0 HA PRO A 3 5.538 16.296 6.043 1.00 9.38 H new ATOM 0 HB2 PRO A 3 6.173 13.900 7.660 1.00 8.67 H new ATOM 0 HB3 PRO A 3 5.605 15.447 8.255 1.00 8.67 H new ATOM 0 HG2 PRO A 3 4.096 13.177 8.355 1.00 9.28 H new ATOM 0 HG3 PRO A 3 3.397 14.782 8.269 1.00 9.28 H new ATOM 0 HD2 PRO A 3 3.757 12.758 6.061 1.00 9.72 H new ATOM 0 HD3 PRO A 3 2.409 13.839 6.355 1.00 9.72 H new ATOM 56 N VAL A 4 7.789 14.762 5.905 1.00 8.02 N ATOM 57 CA VAL A 4 8.976 14.183 5.300 1.00 7.33 C ATOM 58 C VAL A 4 8.808 12.684 5.256 1.00 6.03 C ATOM 59 O VAL A 4 8.238 12.093 6.174 1.00 5.70 O ATOM 60 CB VAL A 4 10.252 14.484 6.086 1.00 7.39 C ATOM 61 CG1 VAL A 4 11.479 14.176 5.251 1.00 7.04 C ATOM 62 CG2 VAL A 4 10.267 15.921 6.569 1.00 7.42 C ATOM 0 H VAL A 4 7.959 15.279 6.767 1.00 8.02 H new ATOM 0 HA VAL A 4 9.079 14.621 4.307 1.00 7.33 H new ATOM 0 HB VAL A 4 10.270 13.839 6.965 1.00 7.39 H new ATOM 0 HG11 VAL A 4 12.377 14.397 5.828 1.00 7.04 H new ATOM 0 HG12 VAL A 4 11.476 13.122 4.975 1.00 7.04 H new ATOM 0 HG13 VAL A 4 11.468 14.788 4.349 1.00 7.04 H new ATOM 0 HG21 VAL A 4 11.186 16.108 7.125 1.00 7.42 H new ATOM 0 HG22 VAL A 4 10.218 16.593 5.712 1.00 7.42 H new ATOM 0 HG23 VAL A 4 9.408 16.096 7.217 1.00 7.42 H new ATOM 66 N THR A 5 9.336 12.063 4.232 1.00 5.44 N ATOM 67 CA THR A 5 9.180 10.623 4.094 1.00 4.29 C ATOM 68 C THR A 5 10.401 9.993 3.445 1.00 3.80 C ATOM 69 O THR A 5 11.344 10.694 3.077 1.00 4.42 O ATOM 70 CB THR A 5 7.905 10.280 3.293 1.00 4.62 C ATOM 71 OG1 THR A 5 7.798 11.137 2.147 1.00 4.49 O ATOM 72 CG2 THR A 5 6.648 10.414 4.160 1.00 5.81 C ATOM 0 H THR A 5 9.870 12.515 3.490 1.00 5.44 H new ATOM 0 HA THR A 5 9.080 10.207 5.097 1.00 4.29 H new ATOM 0 HB THR A 5 7.984 9.243 2.966 1.00 4.62 H new ATOM 0 HG1 THR A 5 8.474 11.844 2.203 1.00 4.49 H new ATOM 0 HG21 THR A 5 5.768 10.166 3.566 1.00 5.81 H new ATOM 0 HG22 THR A 5 6.717 9.733 5.009 1.00 5.81 H new ATOM 0 HG23 THR A 5 6.564 11.438 4.523 1.00 5.81 H new ATOM 77 N LEU A 6 10.371 8.670 3.289 1.00 2.83 N ATOM 78 CA LEU A 6 11.500 7.974 2.687 1.00 2.56 C ATOM 79 C LEU A 6 11.636 8.370 1.239 1.00 3.77 C ATOM 80 O LEU A 6 12.725 8.332 0.698 1.00 4.03 O ATOM 81 CB LEU A 6 11.434 6.447 2.795 1.00 2.11 C ATOM 82 CG LEU A 6 10.105 5.832 3.197 1.00 2.71 C ATOM 83 CD1 LEU A 6 9.259 5.546 1.975 1.00 3.42 C ATOM 84 CD2 LEU A 6 10.351 4.552 3.969 1.00 3.03 C ATOM 0 H LEU A 6 9.593 8.071 3.566 1.00 2.83 H new ATOM 0 HA LEU A 6 12.375 8.282 3.260 1.00 2.56 H new ATOM 0 HB2 LEU A 6 11.721 6.028 1.830 1.00 2.11 H new ATOM 0 HB3 LEU A 6 12.185 6.128 3.517 1.00 2.11 H new ATOM 0 HG LEU A 6 9.567 6.539 3.829 1.00 2.71 H new ATOM 0 HD11 LEU A 6 8.311 5.106 2.284 1.00 3.42 H new ATOM 0 HD12 LEU A 6 9.070 6.475 1.438 1.00 3.42 H new ATOM 0 HD13 LEU A 6 9.786 4.851 1.322 1.00 3.42 H new ATOM 0 HD21 LEU A 6 9.396 4.112 4.257 1.00 3.03 H new ATOM 0 HD22 LEU A 6 10.901 3.849 3.343 1.00 3.03 H new ATOM 0 HD23 LEU A 6 10.933 4.773 4.864 1.00 3.03 H new ATOM 90 N TYR A 7 10.534 8.774 0.624 1.00 4.60 N ATOM 91 CA TYR A 7 10.547 9.204 -0.759 1.00 5.89 C ATOM 92 C TYR A 7 11.401 10.451 -0.900 1.00 6.52 C ATOM 93 O TYR A 7 12.179 10.590 -1.836 1.00 7.28 O ATOM 94 CB TYR A 7 9.128 9.532 -1.217 1.00 6.61 C ATOM 95 CG TYR A 7 8.261 8.334 -1.523 1.00 6.45 C ATOM 96 CD1 TYR A 7 7.478 7.751 -0.536 1.00 5.86 C ATOM 97 CD2 TYR A 7 8.202 7.805 -2.806 1.00 7.13 C ATOM 98 CE1 TYR A 7 6.663 6.674 -0.819 1.00 6.07 C ATOM 99 CE2 TYR A 7 7.391 6.725 -3.094 1.00 7.22 C ATOM 100 CZ TYR A 7 6.622 6.164 -2.098 1.00 6.73 C ATOM 101 OH TYR A 7 5.806 5.097 -2.383 1.00 7.14 O ATOM 0 H TYR A 7 9.616 8.812 1.068 1.00 4.60 H new ATOM 0 HA TYR A 7 10.956 8.400 -1.370 1.00 5.89 H new ATOM 0 HB2 TYR A 7 8.641 10.125 -0.443 1.00 6.61 H new ATOM 0 HB3 TYR A 7 9.186 10.157 -2.108 1.00 6.61 H new ATOM 0 HD1 TYR A 7 7.507 8.146 0.469 1.00 5.86 H new ATOM 0 HD2 TYR A 7 8.800 8.245 -3.591 1.00 7.13 H new ATOM 0 HE1 TYR A 7 6.059 6.232 -0.040 1.00 6.07 H new ATOM 0 HE2 TYR A 7 7.360 6.322 -4.095 1.00 7.22 H new ATOM 0 HH TYR A 7 5.894 4.861 -3.330 1.00 7.14 H new ATOM 111 N ASP A 8 11.257 11.338 0.070 1.00 6.38 N ATOM 112 CA ASP A 8 11.958 12.605 0.097 1.00 7.25 C ATOM 113 C ASP A 8 13.436 12.400 0.292 1.00 6.81 C ATOM 114 O ASP A 8 14.250 12.887 -0.491 1.00 7.53 O ATOM 115 CB ASP A 8 11.404 13.455 1.240 1.00 7.59 C ATOM 116 CG ASP A 8 10.007 13.963 0.971 1.00 8.67 C ATOM 117 OD1 ASP A 8 9.849 14.848 0.105 1.00 9.57 O ATOM 118 OD2 ASP A 8 9.062 13.484 1.634 1.00 8.73 O ATOM 0 H ASP A 8 10.641 11.194 0.870 1.00 6.38 H new ATOM 0 HA ASP A 8 11.807 13.110 -0.857 1.00 7.25 H new ATOM 0 HB2 ASP A 8 11.400 12.865 2.156 1.00 7.59 H new ATOM 0 HB3 ASP A 8 12.067 14.303 1.410 1.00 7.59 H new ATOM 123 N VAL A 9 13.791 11.689 1.344 1.00 5.62 N ATOM 124 CA VAL A 9 15.187 11.443 1.605 1.00 5.09 C ATOM 125 C VAL A 9 15.789 10.526 0.540 1.00 4.97 C ATOM 126 O VAL A 9 16.987 10.581 0.285 1.00 5.09 O ATOM 127 CB VAL A 9 15.465 10.950 3.055 1.00 4.01 C ATOM 128 CG1 VAL A 9 14.219 10.985 3.929 1.00 3.71 C ATOM 129 CG2 VAL A 9 16.091 9.570 3.092 1.00 4.12 C ATOM 0 H VAL A 9 13.143 11.280 2.018 1.00 5.62 H new ATOM 0 HA VAL A 9 15.697 12.404 1.536 1.00 5.09 H new ATOM 0 HB VAL A 9 16.187 11.655 3.467 1.00 4.01 H new ATOM 0 HG11 VAL A 9 14.467 10.632 4.930 1.00 3.71 H new ATOM 0 HG12 VAL A 9 13.844 12.007 3.987 1.00 3.71 H new ATOM 0 HG13 VAL A 9 13.453 10.342 3.496 1.00 3.71 H new ATOM 0 HG21 VAL A 9 16.263 9.276 4.127 1.00 4.12 H new ATOM 0 HG22 VAL A 9 15.420 8.853 2.618 1.00 4.12 H new ATOM 0 HG23 VAL A 9 17.040 9.587 2.557 1.00 4.12 H new ATOM 133 N ALA A 10 14.955 9.711 -0.101 1.00 5.02 N ATOM 134 CA ALA A 10 15.425 8.838 -1.176 1.00 5.51 C ATOM 135 C ALA A 10 15.717 9.680 -2.400 1.00 6.77 C ATOM 136 O ALA A 10 16.671 9.435 -3.138 1.00 7.18 O ATOM 137 CB ALA A 10 14.401 7.764 -1.516 1.00 5.85 C ATOM 0 H ALA A 10 13.958 9.636 0.102 1.00 5.02 H new ATOM 0 HA ALA A 10 16.330 8.332 -0.841 1.00 5.51 H new ATOM 0 HB1 ALA A 10 14.786 7.135 -2.319 1.00 5.85 H new ATOM 0 HB2 ALA A 10 14.210 7.151 -0.635 1.00 5.85 H new ATOM 0 HB3 ALA A 10 13.472 8.235 -1.838 1.00 5.85 H new ATOM 143 N GLU A 11 14.890 10.694 -2.578 1.00 7.42 N ATOM 144 CA GLU A 11 15.013 11.617 -3.691 1.00 8.73 C ATOM 145 C GLU A 11 16.264 12.445 -3.503 1.00 8.83 C ATOM 146 O GLU A 11 17.035 12.695 -4.432 1.00 9.64 O ATOM 147 CB GLU A 11 13.783 12.515 -3.732 1.00 9.44 C ATOM 148 CG GLU A 11 13.037 12.426 -5.049 1.00 10.72 C ATOM 149 CD GLU A 11 13.977 12.309 -6.229 1.00 11.43 C ATOM 150 OE1 GLU A 11 14.550 13.339 -6.645 1.00 11.62 O ATOM 151 OE2 GLU A 11 14.159 11.183 -6.738 1.00 11.94 O ATOM 0 H GLU A 11 14.111 10.901 -1.952 1.00 7.42 H new ATOM 0 HA GLU A 11 15.083 11.072 -4.632 1.00 8.73 H new ATOM 0 HB2 GLU A 11 13.111 12.241 -2.919 1.00 9.44 H new ATOM 0 HB3 GLU A 11 14.086 13.548 -3.560 1.00 9.44 H new ATOM 0 HG2 GLU A 11 12.371 11.564 -5.030 1.00 10.72 H new ATOM 0 HG3 GLU A 11 12.411 13.310 -5.171 1.00 10.72 H new ATOM 158 N TYR A 12 16.431 12.854 -2.268 1.00 8.09 N ATOM 159 CA TYR A 12 17.561 13.633 -1.820 1.00 8.25 C ATOM 160 C TYR A 12 18.850 12.854 -2.014 1.00 7.64 C ATOM 161 O TYR A 12 19.781 13.279 -2.703 1.00 8.27 O ATOM 162 CB TYR A 12 17.369 13.869 -0.340 1.00 7.83 C ATOM 163 CG TYR A 12 17.757 15.228 0.158 1.00 8.89 C ATOM 164 CD1 TYR A 12 17.073 16.366 -0.239 1.00 9.03 C ATOM 165 CD2 TYR A 12 18.798 15.364 1.053 1.00 9.83 C ATOM 166 CE1 TYR A 12 17.424 17.606 0.247 1.00 10.12 C ATOM 167 CE2 TYR A 12 19.157 16.592 1.540 1.00 10.89 C ATOM 168 CZ TYR A 12 18.467 17.714 1.136 1.00 11.05 C ATOM 169 OH TYR A 12 18.820 18.948 1.628 1.00 12.19 O ATOM 0 H TYR A 12 15.764 12.648 -1.524 1.00 8.09 H new ATOM 0 HA TYR A 12 17.624 14.564 -2.383 1.00 8.25 H new ATOM 0 HB2 TYR A 12 16.320 13.699 -0.097 1.00 7.83 H new ATOM 0 HB3 TYR A 12 17.947 13.124 0.206 1.00 7.83 H new ATOM 0 HD1 TYR A 12 16.254 16.279 -0.938 1.00 9.03 H new ATOM 0 HD2 TYR A 12 19.339 14.487 1.375 1.00 9.83 H new ATOM 0 HE1 TYR A 12 16.884 18.487 -0.068 1.00 10.12 H new ATOM 0 HE2 TYR A 12 19.977 16.681 2.237 1.00 10.89 H new ATOM 0 HH TYR A 12 19.765 18.939 1.886 1.00 12.19 H new ATOM 179 N ALA A 13 18.859 11.704 -1.368 1.00 6.42 N ATOM 180 CA ALA A 13 19.981 10.801 -1.388 1.00 5.71 C ATOM 181 C ALA A 13 20.339 10.367 -2.803 1.00 6.20 C ATOM 182 O ALA A 13 21.503 10.119 -3.111 1.00 6.25 O ATOM 183 CB ALA A 13 19.690 9.602 -0.506 1.00 4.38 C ATOM 0 H ALA A 13 18.074 11.371 -0.808 1.00 6.42 H new ATOM 0 HA ALA A 13 20.849 11.330 -0.994 1.00 5.71 H new ATOM 0 HB1 ALA A 13 20.541 8.922 -0.524 1.00 4.38 H new ATOM 0 HB2 ALA A 13 19.515 9.936 0.516 1.00 4.38 H new ATOM 0 HB3 ALA A 13 18.804 9.085 -0.875 1.00 4.38 H new ATOM 189 N GLY A 14 19.347 10.314 -3.669 1.00 6.71 N ATOM 190 CA GLY A 14 19.587 9.891 -5.031 1.00 7.50 C ATOM 191 C GLY A 14 19.491 8.391 -5.141 1.00 7.12 C ATOM 192 O GLY A 14 20.285 7.751 -5.833 1.00 7.67 O ATOM 0 H GLY A 14 18.379 10.556 -3.457 1.00 6.71 H new ATOM 0 HA2 GLY A 14 18.861 10.358 -5.697 1.00 7.50 H new ATOM 0 HA3 GLY A 14 20.574 10.223 -5.353 1.00 7.50 H new ATOM 196 N VAL A 15 18.516 7.836 -4.441 1.00 6.34 N ATOM 197 CA VAL A 15 18.283 6.403 -4.412 1.00 6.29 C ATOM 198 C VAL A 15 16.788 6.124 -4.508 1.00 6.88 C ATOM 199 O VAL A 15 16.001 7.017 -4.825 1.00 7.37 O ATOM 200 CB VAL A 15 18.824 5.777 -3.107 1.00 5.09 C ATOM 201 CG1 VAL A 15 20.315 5.957 -3.017 1.00 4.93 C ATOM 202 CG2 VAL A 15 18.163 6.396 -1.887 1.00 4.07 C ATOM 0 H VAL A 15 17.860 8.372 -3.873 1.00 6.34 H new ATOM 0 HA VAL A 15 18.806 5.960 -5.259 1.00 6.29 H new ATOM 0 HB VAL A 15 18.589 4.713 -3.128 1.00 5.09 H new ATOM 0 HG11 VAL A 15 20.680 5.511 -2.092 1.00 4.93 H new ATOM 0 HG12 VAL A 15 20.792 5.471 -3.868 1.00 4.93 H new ATOM 0 HG13 VAL A 15 20.554 7.020 -3.026 1.00 4.93 H new ATOM 0 HG21 VAL A 15 18.563 5.936 -0.984 1.00 4.07 H new ATOM 0 HG22 VAL A 15 18.364 7.467 -1.868 1.00 4.07 H new ATOM 0 HG23 VAL A 15 17.087 6.230 -1.933 1.00 4.07 H new ATOM 206 N SER A 16 16.400 4.891 -4.236 1.00 7.00 N ATOM 207 CA SER A 16 15.001 4.524 -4.271 1.00 7.47 C ATOM 208 C SER A 16 14.485 4.436 -2.848 1.00 6.42 C ATOM 209 O SER A 16 15.249 4.612 -1.894 1.00 5.43 O ATOM 210 CB SER A 16 14.803 3.186 -4.990 1.00 8.50 C ATOM 211 OG SER A 16 15.295 2.112 -4.209 1.00 9.32 O ATOM 0 H SER A 16 17.034 4.131 -3.989 1.00 7.00 H new ATOM 0 HA SER A 16 14.445 5.282 -4.823 1.00 7.47 H new ATOM 0 HB2 SER A 16 13.744 3.034 -5.197 1.00 8.50 H new ATOM 0 HB3 SER A 16 15.316 3.206 -5.951 1.00 8.50 H new ATOM 0 HG SER A 16 16.108 2.394 -3.740 1.00 9.32 H new ATOM 217 N VAL A 17 13.210 4.146 -2.692 1.00 6.67 N ATOM 218 CA VAL A 17 12.639 4.025 -1.375 1.00 5.79 C ATOM 219 C VAL A 17 13.063 2.713 -0.758 1.00 5.68 C ATOM 220 O VAL A 17 12.933 2.509 0.447 1.00 4.87 O ATOM 221 CB VAL A 17 11.115 4.129 -1.416 1.00 6.31 C ATOM 222 CG1 VAL A 17 10.736 5.477 -1.983 1.00 6.98 C ATOM 223 CG2 VAL A 17 10.499 2.989 -2.226 1.00 6.68 C ATOM 0 H VAL A 17 12.556 3.991 -3.459 1.00 6.67 H new ATOM 0 HA VAL A 17 13.007 4.848 -0.763 1.00 5.79 H new ATOM 0 HB VAL A 17 10.720 4.039 -0.404 1.00 6.31 H new ATOM 0 HG11 VAL A 17 9.650 5.565 -2.018 1.00 6.98 H new ATOM 0 HG12 VAL A 17 11.144 6.265 -1.350 1.00 6.98 H new ATOM 0 HG13 VAL A 17 11.141 5.575 -2.990 1.00 6.98 H new ATOM 0 HG21 VAL A 17 9.414 3.094 -2.235 1.00 6.68 H new ATOM 0 HG22 VAL A 17 10.875 3.025 -3.248 1.00 6.68 H new ATOM 0 HG23 VAL A 17 10.768 2.035 -1.773 1.00 6.68 H new ATOM 227 N ALA A 18 13.593 1.838 -1.605 1.00 6.73 N ATOM 228 CA ALA A 18 14.065 0.546 -1.175 1.00 7.11 C ATOM 229 C ALA A 18 15.393 0.694 -0.461 1.00 6.46 C ATOM 230 O ALA A 18 15.712 -0.073 0.445 1.00 6.56 O ATOM 231 CB ALA A 18 14.191 -0.398 -2.358 1.00 8.51 C ATOM 0 H ALA A 18 13.703 2.012 -2.604 1.00 6.73 H new ATOM 0 HA ALA A 18 13.341 0.119 -0.481 1.00 7.11 H new ATOM 0 HB1 ALA A 18 14.549 -1.368 -2.013 1.00 8.51 H new ATOM 0 HB2 ALA A 18 13.217 -0.518 -2.833 1.00 8.51 H new ATOM 0 HB3 ALA A 18 14.898 0.014 -3.078 1.00 8.51 H new ATOM 237 N THR A 19 16.169 1.693 -0.864 1.00 5.99 N ATOM 238 CA THR A 19 17.456 1.947 -0.251 1.00 5.37 C ATOM 239 C THR A 19 17.295 2.581 1.131 1.00 4.05 C ATOM 240 O THR A 19 17.902 2.151 2.110 1.00 3.79 O ATOM 241 CB THR A 19 18.279 2.879 -1.149 1.00 5.54 C ATOM 242 OG1 THR A 19 17.884 2.690 -2.516 1.00 6.63 O ATOM 243 CG2 THR A 19 19.762 2.601 -1.003 1.00 5.80 C ATOM 0 H THR A 19 15.924 2.339 -1.615 1.00 5.99 H new ATOM 0 HA THR A 19 17.971 0.994 -0.133 1.00 5.37 H new ATOM 0 HB THR A 19 18.093 3.910 -0.847 1.00 5.54 H new ATOM 0 HG1 THR A 19 18.681 2.666 -3.086 1.00 6.63 H new ATOM 0 HG21 THR A 19 20.324 3.275 -1.650 1.00 5.80 H new ATOM 0 HG22 THR A 19 20.062 2.759 0.033 1.00 5.80 H new ATOM 0 HG23 THR A 19 19.968 1.569 -1.287 1.00 5.80 H new ATOM 248 N VAL A 20 16.468 3.608 1.188 1.00 3.48 N ATOM 249 CA VAL A 20 16.212 4.335 2.428 1.00 2.24 C ATOM 250 C VAL A 20 15.593 3.462 3.507 1.00 2.45 C ATOM 251 O VAL A 20 15.998 3.539 4.667 1.00 2.38 O ATOM 252 CB VAL A 20 15.324 5.555 2.165 1.00 2.17 C ATOM 253 CG1 VAL A 20 14.846 6.195 3.458 1.00 1.59 C ATOM 254 CG2 VAL A 20 16.106 6.539 1.340 1.00 2.79 C ATOM 0 H VAL A 20 15.954 3.965 0.382 1.00 3.48 H new ATOM 0 HA VAL A 20 17.182 4.665 2.800 1.00 2.24 H new ATOM 0 HB VAL A 20 14.431 5.238 1.626 1.00 2.17 H new ATOM 0 HG11 VAL A 20 14.219 7.057 3.228 1.00 1.59 H new ATOM 0 HG12 VAL A 20 14.269 5.470 4.031 1.00 1.59 H new ATOM 0 HG13 VAL A 20 15.706 6.519 4.044 1.00 1.59 H new ATOM 0 HG21 VAL A 20 15.491 7.417 1.141 1.00 2.79 H new ATOM 0 HG22 VAL A 20 17.002 6.839 1.884 1.00 2.79 H new ATOM 0 HG23 VAL A 20 16.393 6.075 0.396 1.00 2.79 H new ATOM 258 N SER A 21 14.632 2.628 3.139 1.00 3.29 N ATOM 259 CA SER A 21 13.997 1.757 4.097 1.00 3.89 C ATOM 260 C SER A 21 15.035 0.838 4.705 1.00 4.74 C ATOM 261 O SER A 21 14.899 0.429 5.845 1.00 5.36 O ATOM 262 CB SER A 21 12.891 0.953 3.437 1.00 4.80 C ATOM 263 OG SER A 21 13.268 0.590 2.129 1.00 5.42 O ATOM 0 H SER A 21 14.281 2.541 2.185 1.00 3.29 H new ATOM 0 HA SER A 21 13.547 2.360 4.886 1.00 3.89 H new ATOM 0 HB2 SER A 21 12.681 0.059 4.024 1.00 4.80 H new ATOM 0 HB3 SER A 21 11.972 1.539 3.409 1.00 4.80 H new ATOM 0 HG SER A 21 12.794 1.154 1.483 1.00 5.42 H new ATOM 269 N ARG A 22 16.080 0.519 3.943 1.00 4.95 N ATOM 270 CA ARG A 22 17.138 -0.318 4.451 1.00 5.78 C ATOM 271 C ARG A 22 17.838 0.394 5.575 1.00 5.39 C ATOM 272 O ARG A 22 17.918 -0.121 6.670 1.00 6.16 O ATOM 273 CB ARG A 22 18.154 -0.631 3.374 1.00 6.11 C ATOM 274 CG ARG A 22 17.639 -1.508 2.256 1.00 6.80 C ATOM 275 CD ARG A 22 17.384 -2.934 2.719 1.00 7.67 C ATOM 276 NE ARG A 22 16.053 -3.096 3.301 1.00 8.53 N ATOM 277 CZ ARG A 22 15.827 -3.487 4.554 1.00 9.40 C ATOM 278 NH1 ARG A 22 16.843 -3.718 5.380 1.00 9.56 N ATOM 279 NH2 ARG A 22 14.583 -3.646 4.982 1.00 10.29 N ATOM 0 H ARG A 22 16.206 0.830 2.980 1.00 4.95 H new ATOM 0 HA ARG A 22 16.694 -1.251 4.799 1.00 5.78 H new ATOM 0 HB2 ARG A 22 18.511 0.306 2.947 1.00 6.11 H new ATOM 0 HB3 ARG A 22 19.013 -1.119 3.835 1.00 6.11 H new ATOM 0 HG2 ARG A 22 16.716 -1.085 1.860 1.00 6.80 H new ATOM 0 HG3 ARG A 22 18.361 -1.516 1.440 1.00 6.80 H new ATOM 0 HD2 ARG A 22 17.494 -3.614 1.874 1.00 7.67 H new ATOM 0 HD3 ARG A 22 18.137 -3.215 3.455 1.00 7.67 H new ATOM 0 HE ARG A 22 15.246 -2.897 2.710 1.00 8.53 H new ATOM 0 HH11 ARG A 22 17.802 -3.596 5.055 1.00 9.56 H new ATOM 0 HH12 ARG A 22 16.663 -4.017 6.338 1.00 9.56 H new ATOM 0 HH21 ARG A 22 13.800 -3.469 4.352 1.00 10.29 H new ATOM 0 HH22 ARG A 22 14.408 -3.945 5.941 1.00 10.29 H new ATOM 293 N VAL A 23 18.288 1.611 5.296 1.00 4.37 N ATOM 294 CA VAL A 23 19.002 2.413 6.282 1.00 4.33 C ATOM 295 C VAL A 23 18.108 2.685 7.476 1.00 4.40 C ATOM 296 O VAL A 23 18.542 2.591 8.626 1.00 5.33 O ATOM 297 CB VAL A 23 19.503 3.737 5.697 1.00 3.40 C ATOM 298 CG1 VAL A 23 20.332 4.477 6.729 1.00 3.55 C ATOM 299 CG2 VAL A 23 20.311 3.491 4.436 1.00 3.56 C ATOM 0 H VAL A 23 18.170 2.066 4.391 1.00 4.37 H new ATOM 0 HA VAL A 23 19.875 1.840 6.596 1.00 4.33 H new ATOM 0 HB VAL A 23 18.643 4.353 5.432 1.00 3.40 H new ATOM 0 HG11 VAL A 23 20.685 5.417 6.306 1.00 3.55 H new ATOM 0 HG12 VAL A 23 19.721 4.681 7.608 1.00 3.55 H new ATOM 0 HG13 VAL A 23 21.187 3.865 7.016 1.00 3.55 H new ATOM 0 HG21 VAL A 23 20.658 4.443 4.035 1.00 3.56 H new ATOM 0 HG22 VAL A 23 21.169 2.861 4.671 1.00 3.56 H new ATOM 0 HG23 VAL A 23 19.686 2.992 3.695 1.00 3.56 H new ATOM 303 N VAL A 24 16.856 3.002 7.181 1.00 3.61 N ATOM 304 CA VAL A 24 15.850 3.228 8.201 1.00 3.77 C ATOM 305 C VAL A 24 15.715 1.957 9.036 1.00 4.89 C ATOM 306 O VAL A 24 15.419 1.995 10.230 1.00 5.58 O ATOM 307 CB VAL A 24 14.504 3.584 7.525 1.00 2.64 C ATOM 308 CG1 VAL A 24 13.321 2.981 8.238 1.00 3.07 C ATOM 309 CG2 VAL A 24 14.320 5.083 7.429 1.00 2.21 C ATOM 0 H VAL A 24 16.512 3.109 6.227 1.00 3.61 H new ATOM 0 HA VAL A 24 16.139 4.056 8.849 1.00 3.77 H new ATOM 0 HB VAL A 24 14.548 3.157 6.523 1.00 2.64 H new ATOM 0 HG11 VAL A 24 12.403 3.262 7.722 1.00 3.07 H new ATOM 0 HG12 VAL A 24 13.415 1.895 8.245 1.00 3.07 H new ATOM 0 HG13 VAL A 24 13.288 3.349 9.264 1.00 3.07 H new ATOM 0 HG21 VAL A 24 13.366 5.303 6.950 1.00 2.21 H new ATOM 0 HG22 VAL A 24 14.332 5.516 8.429 1.00 2.21 H new ATOM 0 HG23 VAL A 24 15.130 5.512 6.839 1.00 2.21 H new ATOM 313 N ASN A 25 15.960 0.836 8.374 1.00 5.31 N ATOM 314 CA ASN A 25 15.904 -0.478 9.010 1.00 6.55 C ATOM 315 C ASN A 25 17.284 -0.936 9.437 1.00 7.52 C ATOM 316 O ASN A 25 17.546 -2.138 9.505 1.00 8.44 O ATOM 317 CB ASN A 25 15.325 -1.519 8.057 1.00 6.78 C ATOM 318 CG ASN A 25 13.821 -1.633 8.137 1.00 6.55 C ATOM 319 OD1 ASN A 25 13.273 -2.198 9.078 1.00 7.29 O ATOM 320 ND2 ASN A 25 13.144 -1.106 7.136 1.00 5.69 N ATOM 0 H ASN A 25 16.203 0.808 7.384 1.00 5.31 H new ATOM 0 HA ASN A 25 15.263 -0.382 9.886 1.00 6.55 H new ATOM 0 HB2 ASN A 25 15.609 -1.264 7.036 1.00 6.78 H new ATOM 0 HB3 ASN A 25 15.768 -2.490 8.278 1.00 6.78 H new ATOM 0 HD21 ASN A 25 12.125 -1.160 7.125 1.00 5.69 H new ATOM 0 HD22 ASN A 25 13.639 -0.645 6.373 1.00 5.69 H new ATOM 327 N GLN A 26 18.169 0.022 9.700 1.00 7.38 N ATOM 328 CA GLN A 26 19.539 -0.266 10.136 1.00 8.36 C ATOM 329 C GLN A 26 20.280 -0.939 8.999 1.00 8.53 C ATOM 330 O GLN A 26 20.918 -1.982 9.170 1.00 9.33 O ATOM 331 CB GLN A 26 19.611 -1.123 11.409 1.00 9.59 C ATOM 332 CG GLN A 26 18.391 -1.027 12.311 1.00 9.80 C ATOM 333 CD GLN A 26 17.959 0.395 12.586 1.00 9.62 C ATOM 334 OE1 GLN A 26 18.783 1.285 12.803 1.00 10.45 O ATOM 335 NE2 GLN A 26 16.652 0.617 12.546 1.00 8.63 N ATOM 0 H GLN A 26 17.961 1.017 9.618 1.00 7.38 H new ATOM 0 HA GLN A 26 20.008 0.683 10.394 1.00 8.36 H new ATOM 0 HB2 GLN A 26 19.752 -2.165 11.121 1.00 9.59 H new ATOM 0 HB3 GLN A 26 20.492 -0.828 11.980 1.00 9.59 H new ATOM 0 HG2 GLN A 26 17.564 -1.568 11.850 1.00 9.80 H new ATOM 0 HG3 GLN A 26 18.608 -1.523 13.257 1.00 9.80 H new ATOM 0 HE21 GLN A 26 16.009 -0.153 12.363 1.00 8.63 H new ATOM 0 HE22 GLN A 26 16.290 1.558 12.699 1.00 8.63 H new ATOM 342 N ALA A 27 20.186 -0.286 7.848 1.00 7.90 N ATOM 343 CA ALA A 27 20.771 -0.713 6.586 1.00 8.11 C ATOM 344 C ALA A 27 20.788 -2.227 6.391 1.00 8.82 C ATOM 345 O ALA A 27 19.815 -2.800 5.890 1.00 9.01 O ATOM 346 CB ALA A 27 22.147 -0.108 6.445 1.00 7.97 C ATOM 0 H ALA A 27 19.677 0.594 7.766 1.00 7.90 H new ATOM 0 HA ALA A 27 20.127 -0.345 5.787 1.00 8.11 H new ATOM 0 HB1 ALA A 27 22.589 -0.425 5.501 1.00 7.97 H new ATOM 0 HB2 ALA A 27 22.070 0.979 6.462 1.00 7.97 H new ATOM 0 HB3 ALA A 27 22.777 -0.440 7.270 1.00 7.97 H new ATOM 352 N SER A 28 21.910 -2.841 6.757 1.00 9.39 N ATOM 353 CA SER A 28 22.126 -4.280 6.628 1.00 10.23 C ATOM 354 C SER A 28 22.319 -4.681 5.161 1.00 10.33 C ATOM 355 O SER A 28 23.100 -5.573 4.849 1.00 11.17 O ATOM 356 CB SER A 28 20.979 -5.053 7.257 1.00 11.03 C ATOM 357 OG SER A 28 20.905 -4.819 8.657 1.00 11.40 O ATOM 0 H SER A 28 22.707 -2.346 7.158 1.00 9.39 H new ATOM 0 HA SER A 28 23.041 -4.533 7.164 1.00 10.23 H new ATOM 0 HB2 SER A 28 20.040 -4.761 6.787 1.00 11.03 H new ATOM 0 HB3 SER A 28 21.111 -6.119 7.071 1.00 11.03 H new ATOM 0 HG SER A 28 20.879 -3.854 8.826 1.00 11.40 H new ATOM 363 N HIS A 29 21.598 -4.014 4.270 1.00 9.57 N ATOM 364 CA HIS A 29 21.704 -4.259 2.837 1.00 9.82 C ATOM 365 C HIS A 29 21.939 -2.948 2.106 1.00 8.86 C ATOM 366 O HIS A 29 21.483 -2.766 0.984 1.00 8.91 O ATOM 367 CB HIS A 29 20.457 -4.954 2.272 1.00 10.11 C ATOM 368 CG HIS A 29 20.534 -6.449 2.307 1.00 11.30 C ATOM 369 ND1 HIS A 29 21.129 -7.277 3.192 1.00 12.35 N flip ATOM 370 CD2 HIS A 29 19.993 -7.263 1.334 1.00 11.68 C flip ATOM 371 CE1 HIS A 29 20.947 -8.557 2.744 1.00 13.27 C flip ATOM 372 NE2 HIS A 29 20.261 -8.524 1.621 1.00 12.89 N flip ATOM 0 H HIS A 29 20.925 -3.289 4.519 1.00 9.57 H new ATOM 0 HA HIS A 29 22.550 -4.929 2.682 1.00 9.82 H new ATOM 0 HB2 HIS A 29 19.584 -4.631 2.838 1.00 10.11 H new ATOM 0 HB3 HIS A 29 20.307 -4.631 1.242 1.00 10.11 H new ATOM 0 HD1 HIS A 29 21.624 -6.999 4.040 1.00 12.35 H new ATOM 0 HD2 HIS A 29 19.437 -6.923 0.473 1.00 11.68 H new ATOM 0 HE1 HIS A 29 21.308 -9.450 3.233 1.00 13.27 H new ATOM 381 N VAL A 30 22.638 -2.036 2.770 1.00 8.15 N ATOM 382 CA VAL A 30 22.975 -0.737 2.215 1.00 7.28 C ATOM 383 C VAL A 30 24.453 -0.448 2.438 1.00 7.71 C ATOM 384 O VAL A 30 24.977 -0.685 3.528 1.00 8.18 O ATOM 385 CB VAL A 30 22.118 0.396 2.847 1.00 6.03 C ATOM 386 CG1 VAL A 30 22.949 1.629 3.187 1.00 5.53 C ATOM 387 CG2 VAL A 30 20.994 0.777 1.914 1.00 5.47 C ATOM 0 H VAL A 30 22.989 -2.181 3.717 1.00 8.15 H new ATOM 0 HA VAL A 30 22.761 -0.764 1.147 1.00 7.28 H new ATOM 0 HB VAL A 30 21.709 0.009 3.780 1.00 6.03 H new ATOM 0 HG11 VAL A 30 22.306 2.392 3.626 1.00 5.53 H new ATOM 0 HG12 VAL A 30 23.728 1.358 3.900 1.00 5.53 H new ATOM 0 HG13 VAL A 30 23.408 2.020 2.279 1.00 5.53 H new ATOM 0 HG21 VAL A 30 20.400 1.571 2.366 1.00 5.47 H new ATOM 0 HG22 VAL A 30 21.409 1.127 0.969 1.00 5.47 H new ATOM 0 HG23 VAL A 30 20.361 -0.092 1.733 1.00 5.47 H new ATOM 391 N SER A 31 25.128 0.019 1.402 1.00 7.70 N ATOM 392 CA SER A 31 26.536 0.365 1.491 1.00 8.11 C ATOM 393 C SER A 31 26.757 1.471 2.526 1.00 7.34 C ATOM 394 O SER A 31 25.893 2.324 2.722 1.00 7.15 O ATOM 395 CB SER A 31 27.012 0.816 0.117 1.00 8.37 C ATOM 396 OG SER A 31 25.925 0.829 -0.797 1.00 9.26 O ATOM 0 H SER A 31 24.718 0.168 0.480 1.00 7.70 H new ATOM 0 HA SER A 31 27.108 -0.506 1.812 1.00 8.11 H new ATOM 0 HB2 SER A 31 27.452 1.811 0.185 1.00 8.37 H new ATOM 0 HB3 SER A 31 27.792 0.146 -0.244 1.00 8.37 H new ATOM 0 HG SER A 31 26.241 1.122 -1.677 1.00 9.26 H new ATOM 402 N ALA A 32 27.913 1.450 3.178 1.00 7.04 N ATOM 403 CA ALA A 32 28.256 2.433 4.201 1.00 6.69 C ATOM 404 C ALA A 32 28.046 3.860 3.712 1.00 5.51 C ATOM 405 O ALA A 32 27.440 4.680 4.407 1.00 5.18 O ATOM 406 CB ALA A 32 29.693 2.230 4.650 1.00 7.54 C ATOM 0 H ALA A 32 28.639 0.753 3.014 1.00 7.04 H new ATOM 0 HA ALA A 32 27.587 2.281 5.048 1.00 6.69 H new ATOM 0 HB1 ALA A 32 29.943 2.967 5.414 1.00 7.54 H new ATOM 0 HB2 ALA A 32 29.807 1.227 5.062 1.00 7.54 H new ATOM 0 HB3 ALA A 32 30.361 2.350 3.797 1.00 7.54 H new ATOM 412 N LYS A 33 28.554 4.158 2.522 1.00 5.14 N ATOM 413 CA LYS A 33 28.410 5.488 1.948 1.00 4.27 C ATOM 414 C LYS A 33 26.942 5.829 1.739 1.00 3.52 C ATOM 415 O LYS A 33 26.520 6.963 1.963 1.00 3.09 O ATOM 416 CB LYS A 33 29.180 5.596 0.635 1.00 4.58 C ATOM 417 CG LYS A 33 29.899 6.923 0.466 1.00 4.41 C ATOM 418 CD LYS A 33 31.040 7.072 1.462 1.00 4.64 C ATOM 419 CE LYS A 33 31.419 8.530 1.674 1.00 5.36 C ATOM 420 NZ LYS A 33 30.386 9.273 2.448 1.00 6.12 N ATOM 0 H LYS A 33 29.068 3.498 1.938 1.00 5.14 H new ATOM 0 HA LYS A 33 28.830 6.208 2.650 1.00 4.27 H new ATOM 0 HB2 LYS A 33 29.908 4.787 0.582 1.00 4.58 H new ATOM 0 HB3 LYS A 33 28.488 5.457 -0.196 1.00 4.58 H new ATOM 0 HG2 LYS A 33 30.289 7.000 -0.549 1.00 4.41 H new ATOM 0 HG3 LYS A 33 29.191 7.741 0.598 1.00 4.41 H new ATOM 0 HD2 LYS A 33 30.750 6.630 2.415 1.00 4.64 H new ATOM 0 HD3 LYS A 33 31.909 6.519 1.105 1.00 4.64 H new ATOM 0 HE2 LYS A 33 32.372 8.583 2.200 1.00 5.36 H new ATOM 0 HE3 LYS A 33 31.561 9.011 0.706 1.00 5.36 H new ATOM 0 HZ1 LYS A 33 30.790 10.164 2.801 1.00 6.12 H new ATOM 0 HZ2 LYS A 33 29.574 9.481 1.832 1.00 6.12 H new ATOM 0 HZ3 LYS A 33 30.071 8.693 3.252 1.00 6.12 H new ATOM 434 N THR A 34 26.167 4.838 1.333 1.00 3.69 N ATOM 435 CA THR A 34 24.746 5.018 1.117 1.00 3.13 C ATOM 436 C THR A 34 24.037 5.278 2.431 1.00 2.69 C ATOM 437 O THR A 34 23.148 6.118 2.512 1.00 2.13 O ATOM 438 CB THR A 34 24.129 3.807 0.444 1.00 3.87 C ATOM 439 OG1 THR A 34 24.892 3.453 -0.719 1.00 4.66 O ATOM 440 CG2 THR A 34 22.691 4.099 0.066 1.00 3.46 C ATOM 0 H THR A 34 26.504 3.894 1.146 1.00 3.69 H new ATOM 0 HA THR A 34 24.624 5.880 0.461 1.00 3.13 H new ATOM 0 HB THR A 34 24.141 2.967 1.139 1.00 3.87 H new ATOM 0 HG1 THR A 34 25.187 2.521 -0.646 1.00 4.66 H new ATOM 0 HG21 THR A 34 22.257 3.223 -0.417 1.00 3.46 H new ATOM 0 HG22 THR A 34 22.121 4.339 0.963 1.00 3.46 H new ATOM 0 HG23 THR A 34 22.660 4.945 -0.621 1.00 3.46 H new ATOM 445 N ARG A 35 24.418 4.533 3.450 1.00 3.41 N ATOM 446 CA ARG A 35 23.853 4.714 4.778 1.00 3.80 C ATOM 447 C ARG A 35 23.977 6.177 5.173 1.00 3.65 C ATOM 448 O ARG A 35 23.020 6.797 5.621 1.00 3.56 O ATOM 449 CB ARG A 35 24.570 3.807 5.795 1.00 5.03 C ATOM 450 CG ARG A 35 24.276 4.133 7.258 1.00 5.76 C ATOM 451 CD ARG A 35 25.262 5.135 7.804 1.00 6.34 C ATOM 452 NE ARG A 35 24.909 5.607 9.141 1.00 7.34 N ATOM 453 CZ ARG A 35 25.755 5.644 10.169 1.00 8.26 C ATOM 454 NH1 ARG A 35 26.983 5.143 10.058 1.00 8.43 N ATOM 455 NH2 ARG A 35 25.359 6.167 11.321 1.00 9.19 N ATOM 0 H ARG A 35 25.118 3.794 3.386 1.00 3.41 H new ATOM 0 HA ARG A 35 22.800 4.434 4.770 1.00 3.80 H new ATOM 0 HB2 ARG A 35 24.285 2.773 5.603 1.00 5.03 H new ATOM 0 HB3 ARG A 35 25.645 3.878 5.630 1.00 5.03 H new ATOM 0 HG2 ARG A 35 23.264 4.528 7.349 1.00 5.76 H new ATOM 0 HG3 ARG A 35 24.316 3.220 7.852 1.00 5.76 H new ATOM 0 HD2 ARG A 35 26.253 4.683 7.833 1.00 6.34 H new ATOM 0 HD3 ARG A 35 25.320 5.987 7.127 1.00 6.34 H new ATOM 0 HE ARG A 35 23.954 5.929 9.297 1.00 7.34 H new ATOM 0 HH11 ARG A 35 27.286 4.725 9.178 1.00 8.43 H new ATOM 0 HH12 ARG A 35 27.622 5.177 10.853 1.00 8.43 H new ATOM 0 HH21 ARG A 35 24.413 6.537 11.415 1.00 9.19 H new ATOM 0 HH22 ARG A 35 26.000 6.199 12.114 1.00 9.19 H new ATOM 469 N GLU A 36 25.152 6.728 4.928 1.00 3.88 N ATOM 470 CA GLU A 36 25.425 8.117 5.242 1.00 4.33 C ATOM 471 C GLU A 36 24.648 9.018 4.291 1.00 3.97 C ATOM 472 O GLU A 36 24.150 10.076 4.670 1.00 4.78 O ATOM 473 CB GLU A 36 26.917 8.397 5.136 1.00 4.67 C ATOM 474 CG GLU A 36 27.743 7.722 6.201 1.00 4.99 C ATOM 475 CD GLU A 36 29.228 7.733 5.895 1.00 5.54 C ATOM 476 OE1 GLU A 36 29.605 7.992 4.730 1.00 5.95 O ATOM 477 OE2 GLU A 36 30.029 7.478 6.822 1.00 5.83 O ATOM 0 H GLU A 36 25.937 6.230 4.509 1.00 3.88 H new ATOM 0 HA GLU A 36 25.108 8.322 6.265 1.00 4.33 H new ATOM 0 HB2 GLU A 36 27.269 8.072 4.157 1.00 4.67 H new ATOM 0 HB3 GLU A 36 27.079 9.473 5.192 1.00 4.67 H new ATOM 0 HG2 GLU A 36 27.571 8.219 7.156 1.00 4.99 H new ATOM 0 HG3 GLU A 36 27.408 6.691 6.313 1.00 4.99 H new ATOM 484 N LYS A 37 24.550 8.557 3.055 1.00 3.11 N ATOM 485 CA LYS A 37 23.847 9.252 1.985 1.00 3.31 C ATOM 486 C LYS A 37 22.398 9.567 2.356 1.00 3.41 C ATOM 487 O LYS A 37 21.932 10.699 2.235 1.00 4.34 O ATOM 488 CB LYS A 37 23.853 8.357 0.745 1.00 2.99 C ATOM 489 CG LYS A 37 23.161 8.974 -0.445 1.00 3.65 C ATOM 490 CD LYS A 37 22.620 7.911 -1.392 1.00 3.97 C ATOM 491 CE LYS A 37 23.722 7.234 -2.187 1.00 5.00 C ATOM 492 NZ LYS A 37 24.597 8.215 -2.887 1.00 5.78 N ATOM 0 H LYS A 37 24.964 7.673 2.760 1.00 3.11 H new ATOM 0 HA LYS A 37 24.357 10.198 1.801 1.00 3.31 H new ATOM 0 HB2 LYS A 37 24.884 8.128 0.477 1.00 2.99 H new ATOM 0 HB3 LYS A 37 23.369 7.411 0.987 1.00 2.99 H new ATOM 0 HG2 LYS A 37 22.343 9.608 -0.103 1.00 3.65 H new ATOM 0 HG3 LYS A 37 23.860 9.617 -0.980 1.00 3.65 H new ATOM 0 HD2 LYS A 37 22.075 7.161 -0.819 1.00 3.97 H new ATOM 0 HD3 LYS A 37 21.908 8.368 -2.079 1.00 3.97 H new ATOM 0 HE2 LYS A 37 24.328 6.623 -1.517 1.00 5.00 H new ATOM 0 HE3 LYS A 37 23.277 6.560 -2.919 1.00 5.00 H new ATOM 0 HZ1 LYS A 37 25.101 7.739 -3.662 1.00 5.78 H new ATOM 0 HZ2 LYS A 37 24.015 8.985 -3.274 1.00 5.78 H new ATOM 0 HZ3 LYS A 37 25.287 8.606 -2.214 1.00 5.78 H new ATOM 506 N VAL A 38 21.713 8.548 2.824 1.00 2.59 N ATOM 507 CA VAL A 38 20.321 8.687 3.171 1.00 2.60 C ATOM 508 C VAL A 38 20.135 9.271 4.570 1.00 3.45 C ATOM 509 O VAL A 38 19.171 9.990 4.797 1.00 4.01 O ATOM 510 CB VAL A 38 19.519 7.381 3.013 1.00 1.59 C ATOM 511 CG1 VAL A 38 20.225 6.406 2.104 1.00 1.78 C ATOM 512 CG2 VAL A 38 19.211 6.746 4.347 1.00 1.68 C ATOM 0 H VAL A 38 22.099 7.615 2.972 1.00 2.59 H new ATOM 0 HA VAL A 38 19.913 9.395 2.449 1.00 2.60 H new ATOM 0 HB VAL A 38 18.569 7.647 2.548 1.00 1.59 H new ATOM 0 HG11 VAL A 38 19.631 5.496 2.015 1.00 1.78 H new ATOM 0 HG12 VAL A 38 20.352 6.854 1.119 1.00 1.78 H new ATOM 0 HG13 VAL A 38 21.202 6.162 2.521 1.00 1.78 H new ATOM 0 HG21 VAL A 38 18.645 5.828 4.191 1.00 1.68 H new ATOM 0 HG22 VAL A 38 20.143 6.514 4.863 1.00 1.68 H new ATOM 0 HG23 VAL A 38 18.623 7.437 4.952 1.00 1.68 H new ATOM 516 N GLU A 39 21.038 8.975 5.508 1.00 3.88 N ATOM 517 CA GLU A 39 20.932 9.513 6.838 1.00 5.08 C ATOM 518 C GLU A 39 21.073 11.013 6.787 1.00 6.00 C ATOM 519 O GLU A 39 20.381 11.741 7.493 1.00 6.91 O ATOM 520 CB GLU A 39 22.002 8.906 7.718 1.00 5.69 C ATOM 521 CG GLU A 39 21.684 7.488 8.131 1.00 5.68 C ATOM 522 CD GLU A 39 21.645 7.306 9.632 1.00 6.80 C ATOM 523 OE1 GLU A 39 20.618 7.658 10.255 1.00 7.39 O ATOM 524 OE2 GLU A 39 22.634 6.798 10.199 1.00 7.26 O ATOM 0 H GLU A 39 21.843 8.367 5.358 1.00 3.88 H new ATOM 0 HA GLU A 39 19.956 9.268 7.258 1.00 5.08 H new ATOM 0 HB2 GLU A 39 22.954 8.920 7.187 1.00 5.69 H new ATOM 0 HB3 GLU A 39 22.125 9.521 8.610 1.00 5.69 H new ATOM 0 HG2 GLU A 39 20.721 7.200 7.710 1.00 5.68 H new ATOM 0 HG3 GLU A 39 22.431 6.816 7.708 1.00 5.68 H new ATOM 531 N ALA A 40 21.974 11.469 5.938 1.00 5.87 N ATOM 532 CA ALA A 40 22.182 12.891 5.764 1.00 6.87 C ATOM 533 C ALA A 40 20.920 13.517 5.194 1.00 7.09 C ATOM 534 O ALA A 40 20.514 14.609 5.587 1.00 8.16 O ATOM 535 CB ALA A 40 23.368 13.160 4.860 1.00 6.81 C ATOM 0 H ALA A 40 22.571 10.877 5.361 1.00 5.87 H new ATOM 0 HA ALA A 40 22.400 13.338 6.734 1.00 6.87 H new ATOM 0 HB1 ALA A 40 23.502 14.236 4.746 1.00 6.81 H new ATOM 0 HB2 ALA A 40 24.266 12.727 5.300 1.00 6.81 H new ATOM 0 HB3 ALA A 40 23.190 12.711 3.883 1.00 6.81 H new ATOM 541 N ALA A 41 20.300 12.791 4.275 1.00 6.17 N ATOM 542 CA ALA A 41 19.072 13.227 3.655 1.00 6.47 C ATOM 543 C ALA A 41 18.000 13.297 4.715 1.00 6.62 C ATOM 544 O ALA A 41 17.306 14.302 4.852 1.00 7.57 O ATOM 545 CB ALA A 41 18.676 12.273 2.543 1.00 5.68 C ATOM 0 H ALA A 41 20.638 11.887 3.944 1.00 6.17 H new ATOM 0 HA ALA A 41 19.206 14.213 3.210 1.00 6.47 H new ATOM 0 HB1 ALA A 41 17.748 12.614 2.084 1.00 5.68 H new ATOM 0 HB2 ALA A 41 19.464 12.244 1.790 1.00 5.68 H new ATOM 0 HB3 ALA A 41 18.531 11.274 2.955 1.00 5.68 H new ATOM 551 N MET A 42 17.919 12.231 5.502 1.00 5.83 N ATOM 552 CA MET A 42 16.964 12.137 6.580 1.00 6.11 C ATOM 553 C MET A 42 17.120 13.311 7.516 1.00 7.48 C ATOM 554 O MET A 42 16.155 13.904 7.969 1.00 8.06 O ATOM 555 CB MET A 42 17.200 10.878 7.405 1.00 5.37 C ATOM 556 CG MET A 42 16.836 9.575 6.729 1.00 5.60 C ATOM 557 SD MET A 42 16.563 8.261 7.933 1.00 6.10 S ATOM 558 CE MET A 42 17.087 6.821 7.012 1.00 6.80 C ATOM 0 H MET A 42 18.518 11.411 5.404 1.00 5.83 H new ATOM 0 HA MET A 42 15.970 12.119 6.132 1.00 6.11 H new ATOM 0 HB2 MET A 42 18.253 10.840 7.684 1.00 5.37 H new ATOM 0 HB3 MET A 42 16.628 10.959 8.330 1.00 5.37 H new ATOM 0 HG2 MET A 42 15.936 9.714 6.130 1.00 5.60 H new ATOM 0 HG3 MET A 42 17.633 9.284 6.045 1.00 5.60 H new ATOM 0 HE1 MET A 42 16.875 5.922 7.591 1.00 6.80 H new ATOM 0 HE2 MET A 42 16.548 6.779 6.065 1.00 6.80 H new ATOM 0 HE3 MET A 42 18.158 6.883 6.818 1.00 6.80 H new ATOM 568 N ALA A 43 18.366 13.625 7.775 1.00 8.03 N ATOM 569 CA ALA A 43 18.753 14.690 8.696 1.00 9.31 C ATOM 570 C ALA A 43 18.279 16.070 8.276 1.00 10.25 C ATOM 571 O ALA A 43 17.637 16.769 9.059 1.00 11.28 O ATOM 572 CB ALA A 43 20.263 14.702 8.861 1.00 9.57 C ATOM 0 H ALA A 43 19.160 13.146 7.350 1.00 8.03 H new ATOM 0 HA ALA A 43 18.259 14.468 9.642 1.00 9.31 H new ATOM 0 HB1 ALA A 43 20.548 15.498 9.549 1.00 9.57 H new ATOM 0 HB2 ALA A 43 20.593 13.743 9.260 1.00 9.57 H new ATOM 0 HB3 ALA A 43 20.733 14.874 7.893 1.00 9.57 H new ATOM 578 N GLU A 44 18.575 16.449 7.043 1.00 9.94 N ATOM 579 CA GLU A 44 18.226 17.765 6.540 1.00 10.91 C ATOM 580 C GLU A 44 16.740 18.013 6.607 1.00 11.00 C ATOM 581 O GLU A 44 16.278 19.033 7.122 1.00 11.96 O ATOM 582 CB GLU A 44 18.687 17.906 5.115 1.00 10.69 C ATOM 583 CG GLU A 44 20.144 17.571 4.943 1.00 10.14 C ATOM 584 CD GLU A 44 20.914 18.629 4.184 1.00 10.80 C ATOM 585 OE1 GLU A 44 21.381 19.599 4.819 1.00 11.61 O ATOM 586 OE2 GLU A 44 21.061 18.500 2.953 1.00 10.65 O ATOM 0 H GLU A 44 19.060 15.857 6.368 1.00 9.94 H new ATOM 0 HA GLU A 44 18.724 18.501 7.171 1.00 10.91 H new ATOM 0 HB2 GLU A 44 18.090 17.254 4.478 1.00 10.69 H new ATOM 0 HB3 GLU A 44 18.511 18.928 4.779 1.00 10.69 H new ATOM 0 HG2 GLU A 44 20.597 17.436 5.925 1.00 10.14 H new ATOM 0 HG3 GLU A 44 20.232 16.620 4.418 1.00 10.14 H new ATOM 593 N LEU A 45 16.009 17.059 6.093 1.00 10.01 N ATOM 594 CA LEU A 45 14.565 17.127 6.050 1.00 9.84 C ATOM 595 C LEU A 45 13.942 16.828 7.410 1.00 9.73 C ATOM 596 O LEU A 45 12.804 17.214 7.678 1.00 9.79 O ATOM 597 CB LEU A 45 14.065 16.113 5.032 1.00 8.74 C ATOM 598 CG LEU A 45 14.921 15.969 3.773 1.00 8.44 C ATOM 599 CD1 LEU A 45 14.853 14.549 3.233 1.00 7.77 C ATOM 600 CD2 LEU A 45 14.461 16.946 2.717 1.00 8.82 C ATOM 0 H LEU A 45 16.397 16.207 5.689 1.00 10.01 H new ATOM 0 HA LEU A 45 14.274 18.139 5.769 1.00 9.84 H new ATOM 0 HB2 LEU A 45 13.997 15.140 5.518 1.00 8.74 H new ATOM 0 HB3 LEU A 45 13.054 16.392 4.734 1.00 8.74 H new ATOM 0 HG LEU A 45 15.956 16.188 4.036 1.00 8.44 H new ATOM 0 HD11 LEU A 45 15.469 14.470 2.338 1.00 7.77 H new ATOM 0 HD12 LEU A 45 15.220 13.854 3.989 1.00 7.77 H new ATOM 0 HD13 LEU A 45 13.820 14.303 2.985 1.00 7.77 H new ATOM 0 HD21 LEU A 45 15.078 16.835 1.825 1.00 8.82 H new ATOM 0 HD22 LEU A 45 13.419 16.746 2.465 1.00 8.82 H new ATOM 0 HD23 LEU A 45 14.554 17.963 3.097 1.00 8.82 H new ATOM 606 N ASN A 46 14.708 16.147 8.257 1.00 9.67 N ATOM 607 CA ASN A 46 14.273 15.733 9.579 1.00 9.86 C ATOM 608 C ASN A 46 13.228 14.635 9.429 1.00 8.96 C ATOM 609 O ASN A 46 12.060 14.784 9.792 1.00 9.31 O ATOM 610 CB ASN A 46 13.756 16.913 10.375 1.00 11.24 C ATOM 611 CG ASN A 46 13.670 16.630 11.859 1.00 11.76 C ATOM 612 OD1 ASN A 46 13.241 15.558 12.290 1.00 11.96 O ATOM 613 ND2 ASN A 46 14.105 17.583 12.650 1.00 12.13 N ATOM 0 H ASN A 46 15.663 15.865 8.037 1.00 9.67 H new ATOM 0 HA ASN A 46 15.118 15.334 10.140 1.00 9.86 H new ATOM 0 HB2 ASN A 46 14.410 17.770 10.211 1.00 11.24 H new ATOM 0 HB3 ASN A 46 12.769 17.190 10.005 1.00 11.24 H new ATOM 0 HD21 ASN A 46 14.096 17.450 13.661 1.00 12.13 H new ATOM 0 HD22 ASN A 46 14.452 18.456 12.253 1.00 12.13 H new ATOM 620 N TYR A 47 13.684 13.538 8.843 1.00 7.78 N ATOM 621 CA TYR A 47 12.856 12.378 8.567 1.00 6.85 C ATOM 622 C TYR A 47 12.483 11.616 9.826 1.00 7.42 C ATOM 623 O TYR A 47 13.328 11.316 10.670 1.00 8.24 O ATOM 624 CB TYR A 47 13.588 11.434 7.609 1.00 5.81 C ATOM 625 CG TYR A 47 12.769 10.232 7.190 1.00 4.75 C ATOM 626 CD1 TYR A 47 11.389 10.315 7.057 1.00 4.55 C ATOM 627 CD2 TYR A 47 13.376 9.013 6.924 1.00 4.23 C ATOM 628 CE1 TYR A 47 10.645 9.224 6.678 1.00 3.81 C ATOM 629 CE2 TYR A 47 12.638 7.922 6.536 1.00 3.38 C ATOM 630 CZ TYR A 47 11.275 8.032 6.416 1.00 3.10 C ATOM 631 OH TYR A 47 10.539 6.953 6.015 1.00 2.58 O ATOM 0 H TYR A 47 14.653 13.429 8.543 1.00 7.78 H new ATOM 0 HA TYR A 47 11.934 12.745 8.115 1.00 6.85 H new ATOM 0 HB2 TYR A 47 13.881 11.991 6.719 1.00 5.81 H new ATOM 0 HB3 TYR A 47 14.506 11.088 8.085 1.00 5.81 H new ATOM 0 HD1 TYR A 47 10.892 11.253 7.255 1.00 4.55 H new ATOM 0 HD2 TYR A 47 14.447 8.921 7.024 1.00 4.23 H new ATOM 0 HE1 TYR A 47 9.572 9.303 6.587 1.00 3.81 H new ATOM 0 HE2 TYR A 47 13.127 6.982 6.326 1.00 3.38 H new ATOM 0 HH TYR A 47 9.595 7.207 5.950 1.00 2.58 H new ATOM 641 N ILE A 48 11.202 11.308 9.923 1.00 7.07 N ATOM 642 CA ILE A 48 10.651 10.551 11.031 1.00 7.67 C ATOM 643 C ILE A 48 9.716 9.486 10.463 1.00 6.96 C ATOM 644 O ILE A 48 8.677 9.821 9.890 1.00 6.70 O ATOM 645 CB ILE A 48 9.867 11.462 11.997 1.00 8.58 C ATOM 646 CG1 ILE A 48 10.617 12.793 12.181 1.00 8.92 C ATOM 647 CG2 ILE A 48 9.634 10.757 13.328 1.00 9.60 C ATOM 648 CD1 ILE A 48 11.263 12.986 13.543 1.00 10.05 C ATOM 0 H ILE A 48 10.508 11.580 9.227 1.00 7.07 H new ATOM 0 HA ILE A 48 11.467 10.094 11.592 1.00 7.67 H new ATOM 0 HB ILE A 48 8.888 11.681 11.571 1.00 8.58 H new ATOM 0 HG12 ILE A 48 11.390 12.865 11.416 1.00 8.92 H new ATOM 0 HG13 ILE A 48 9.919 13.612 12.008 1.00 8.92 H new ATOM 0 HG21 ILE A 48 9.079 11.416 13.996 1.00 9.60 H new ATOM 0 HG22 ILE A 48 9.062 9.844 13.161 1.00 9.60 H new ATOM 0 HG23 ILE A 48 10.594 10.506 13.780 1.00 9.60 H new ATOM 0 HD11 ILE A 48 11.766 13.952 13.573 1.00 10.05 H new ATOM 0 HD12 ILE A 48 10.497 12.951 14.317 1.00 10.05 H new ATOM 0 HD13 ILE A 48 11.990 12.193 13.716 1.00 10.05 H new ATOM 652 N PRO A 49 10.073 8.196 10.586 1.00 6.87 N ATOM 653 CA PRO A 49 9.256 7.103 10.046 1.00 6.51 C ATOM 654 C PRO A 49 7.940 6.941 10.794 1.00 5.27 C ATOM 655 O PRO A 49 7.746 7.529 11.862 1.00 5.24 O ATOM 656 CB PRO A 49 10.131 5.866 10.238 1.00 6.99 C ATOM 657 CG PRO A 49 11.034 6.210 11.367 1.00 7.01 C ATOM 658 CD PRO A 49 11.276 7.697 11.276 1.00 7.36 C ATOM 0 HA PRO A 49 8.977 7.284 9.008 1.00 6.51 H new ATOM 0 HB2 PRO A 49 9.528 4.987 10.467 1.00 6.99 H new ATOM 0 HB3 PRO A 49 10.697 5.638 9.335 1.00 6.99 H new ATOM 0 HG2 PRO A 49 10.580 5.947 12.322 1.00 7.01 H new ATOM 0 HG3 PRO A 49 11.971 5.658 11.297 1.00 7.01 H new ATOM 0 HD2 PRO A 49 11.389 8.147 12.262 1.00 7.36 H new ATOM 0 HD3 PRO A 49 12.183 7.923 10.716 1.00 7.36 H new ATOM 666 N ASN A 50 7.036 6.139 10.241 1.00 4.55 N ATOM 667 CA ASN A 50 5.748 5.894 10.846 1.00 3.45 C ATOM 668 C ASN A 50 5.711 4.449 11.307 1.00 3.10 C ATOM 669 O ASN A 50 5.890 3.532 10.506 1.00 2.62 O ATOM 670 CB ASN A 50 4.650 6.157 9.821 1.00 3.29 C ATOM 671 CG ASN A 50 4.061 7.535 9.943 1.00 3.62 C ATOM 672 OD1 ASN A 50 3.737 7.996 11.038 1.00 4.20 O ATOM 673 ND2 ASN A 50 3.925 8.206 8.818 1.00 3.84 N ATOM 0 H ASN A 50 7.183 5.645 9.361 1.00 4.55 H new ATOM 0 HA ASN A 50 5.588 6.555 11.698 1.00 3.45 H new ATOM 0 HB2 ASN A 50 5.056 6.027 8.818 1.00 3.29 H new ATOM 0 HB3 ASN A 50 3.860 5.416 9.943 1.00 3.29 H new ATOM 0 HD21 ASN A 50 3.537 9.149 8.830 1.00 3.84 H new ATOM 0 HD22 ASN A 50 4.208 7.782 7.934 1.00 3.84 H new ATOM 680 N ARG A 51 5.464 4.257 12.584 1.00 3.89 N ATOM 681 CA ARG A 51 5.468 2.927 13.186 1.00 4.34 C ATOM 682 C ARG A 51 4.474 1.960 12.543 1.00 3.81 C ATOM 683 O ARG A 51 4.720 0.760 12.527 1.00 4.28 O ATOM 684 CB ARG A 51 5.195 3.019 14.682 1.00 5.51 C ATOM 685 CG ARG A 51 5.849 1.910 15.490 1.00 6.26 C ATOM 686 CD ARG A 51 7.359 2.010 15.469 1.00 6.58 C ATOM 687 NE ARG A 51 7.995 0.691 15.493 1.00 7.49 N ATOM 688 CZ ARG A 51 9.165 0.411 14.914 1.00 8.15 C ATOM 689 NH1 ARG A 51 9.838 1.357 14.273 1.00 8.03 N ATOM 690 NH2 ARG A 51 9.664 -0.819 14.984 1.00 9.09 N ATOM 0 H ARG A 51 5.255 5.011 13.239 1.00 3.89 H new ATOM 0 HA ARG A 51 6.464 2.522 13.008 1.00 4.34 H new ATOM 0 HB2 ARG A 51 5.550 3.982 15.049 1.00 5.51 H new ATOM 0 HB3 ARG A 51 4.118 2.992 14.849 1.00 5.51 H new ATOM 0 HG2 ARG A 51 5.497 1.956 16.520 1.00 6.26 H new ATOM 0 HG3 ARG A 51 5.544 0.942 15.091 1.00 6.26 H new ATOM 0 HD2 ARG A 51 7.675 2.549 14.576 1.00 6.58 H new ATOM 0 HD3 ARG A 51 7.696 2.591 16.327 1.00 6.58 H new ATOM 0 HE ARG A 51 7.513 -0.062 15.984 1.00 7.49 H new ATOM 0 HH11 ARG A 51 9.462 2.304 14.221 1.00 8.03 H new ATOM 0 HH12 ARG A 51 10.731 1.138 13.832 1.00 8.03 H new ATOM 0 HH21 ARG A 51 9.153 -1.549 15.480 1.00 9.09 H new ATOM 0 HH22 ARG A 51 10.558 -1.033 14.542 1.00 9.09 H new ATOM 704 N CYS A 52 3.390 2.465 11.966 1.00 3.19 N ATOM 705 CA CYS A 52 2.386 1.595 11.369 1.00 2.95 C ATOM 706 C CYS A 52 2.867 1.111 10.025 1.00 2.88 C ATOM 707 O CYS A 52 2.834 -0.081 9.737 1.00 3.71 O ATOM 708 CB CYS A 52 1.062 2.341 11.230 1.00 2.58 C ATOM 709 SG CYS A 52 -0.426 1.322 11.504 1.00 2.86 S ATOM 0 H CYS A 52 3.185 3.462 11.899 1.00 3.19 H new ATOM 0 HA CYS A 52 2.227 0.732 12.015 1.00 2.95 H new ATOM 0 HB2 CYS A 52 1.053 3.170 11.938 1.00 2.58 H new ATOM 0 HB3 CYS A 52 1.009 2.774 10.231 1.00 2.58 H new ATOM 714 N ALA A 53 3.283 2.048 9.202 1.00 2.29 N ATOM 715 CA ALA A 53 3.814 1.725 7.892 1.00 2.63 C ATOM 716 C ALA A 53 4.911 0.673 8.019 1.00 3.31 C ATOM 717 O ALA A 53 4.994 -0.253 7.217 1.00 4.21 O ATOM 718 CB ALA A 53 4.342 2.977 7.218 1.00 2.26 C ATOM 0 H ALA A 53 3.264 3.045 9.416 1.00 2.29 H new ATOM 0 HA ALA A 53 3.015 1.316 7.274 1.00 2.63 H new ATOM 0 HB1 ALA A 53 4.738 2.722 6.235 1.00 2.26 H new ATOM 0 HB2 ALA A 53 3.533 3.699 7.107 1.00 2.26 H new ATOM 0 HB3 ALA A 53 5.135 3.411 7.827 1.00 2.26 H new ATOM 724 N GLN A 54 5.718 0.816 9.063 1.00 3.34 N ATOM 725 CA GLN A 54 6.792 -0.107 9.351 1.00 4.41 C ATOM 726 C GLN A 54 6.228 -1.454 9.800 1.00 5.45 C ATOM 727 O GLN A 54 6.718 -2.511 9.405 1.00 6.36 O ATOM 728 CB GLN A 54 7.664 0.479 10.447 1.00 4.66 C ATOM 729 CG GLN A 54 8.297 1.798 10.056 1.00 3.96 C ATOM 730 CD GLN A 54 9.445 2.156 10.941 1.00 3.99 C ATOM 731 OE1 GLN A 54 9.292 2.872 11.929 1.00 4.81 O ATOM 732 NE2 GLN A 54 10.603 1.659 10.592 1.00 3.29 N ATOM 0 H GLN A 54 5.640 1.581 9.733 1.00 3.34 H new ATOM 0 HA GLN A 54 7.385 -0.265 8.450 1.00 4.41 H new ATOM 0 HB2 GLN A 54 7.063 0.623 11.345 1.00 4.66 H new ATOM 0 HB3 GLN A 54 8.449 -0.234 10.700 1.00 4.66 H new ATOM 0 HG2 GLN A 54 8.640 1.742 9.023 1.00 3.96 H new ATOM 0 HG3 GLN A 54 7.546 2.587 10.100 1.00 3.96 H new ATOM 0 HE21 GLN A 54 10.676 1.070 9.762 1.00 3.29 H new ATOM 0 HE22 GLN A 54 11.433 1.860 11.149 1.00 3.29 H new ATOM 739 N GLN A 55 5.196 -1.389 10.640 1.00 5.39 N ATOM 740 CA GLN A 55 4.552 -2.581 11.162 1.00 6.43 C ATOM 741 C GLN A 55 3.902 -3.368 10.044 1.00 6.63 C ATOM 742 O GLN A 55 4.086 -4.581 9.933 1.00 7.65 O ATOM 743 CB GLN A 55 3.516 -2.206 12.213 1.00 6.55 C ATOM 744 CG GLN A 55 4.096 -1.947 13.594 1.00 6.70 C ATOM 745 CD GLN A 55 5.443 -2.606 13.804 1.00 7.86 C ATOM 746 OE1 GLN A 55 5.538 -3.741 14.270 1.00 7.98 O ATOM 747 NE2 GLN A 55 6.490 -1.885 13.461 1.00 8.84 N ATOM 0 H GLN A 55 4.790 -0.514 10.972 1.00 5.39 H new ATOM 0 HA GLN A 55 5.313 -3.207 11.628 1.00 6.43 H new ATOM 0 HB2 GLN A 55 2.984 -1.314 11.881 1.00 6.55 H new ATOM 0 HB3 GLN A 55 2.781 -3.007 12.284 1.00 6.55 H new ATOM 0 HG2 GLN A 55 4.196 -0.872 13.744 1.00 6.70 H new ATOM 0 HG3 GLN A 55 3.399 -2.310 14.349 1.00 6.70 H new ATOM 0 HE21 GLN A 55 6.361 -0.948 13.079 1.00 8.84 H new ATOM 0 HE22 GLN A 55 7.430 -2.263 13.578 1.00 8.84 H new ATOM 754 N LEU A 56 3.146 -2.664 9.223 1.00 5.82 N ATOM 755 CA LEU A 56 2.457 -3.266 8.098 1.00 6.26 C ATOM 756 C LEU A 56 3.436 -3.852 7.083 1.00 7.28 C ATOM 757 O LEU A 56 3.429 -5.051 6.804 1.00 8.06 O ATOM 758 CB LEU A 56 1.613 -2.183 7.422 1.00 5.52 C ATOM 759 CG LEU A 56 0.430 -2.693 6.621 1.00 5.69 C ATOM 760 CD1 LEU A 56 -0.421 -3.556 7.509 1.00 5.59 C ATOM 761 CD2 LEU A 56 -0.380 -1.534 6.062 1.00 5.39 C ATOM 0 H LEU A 56 2.992 -1.660 9.317 1.00 5.82 H new ATOM 0 HA LEU A 56 1.833 -4.082 8.463 1.00 6.26 H new ATOM 0 HB2 LEU A 56 1.246 -1.500 8.188 1.00 5.52 H new ATOM 0 HB3 LEU A 56 2.257 -1.603 6.760 1.00 5.52 H new ATOM 0 HG LEU A 56 0.789 -3.282 5.777 1.00 5.69 H new ATOM 0 HD11 LEU A 56 -1.275 -3.929 6.944 1.00 5.59 H new ATOM 0 HD12 LEU A 56 0.169 -4.398 7.872 1.00 5.59 H new ATOM 0 HD13 LEU A 56 -0.775 -2.969 8.356 1.00 5.59 H new ATOM 0 HD21 LEU A 56 -1.224 -1.922 5.491 1.00 5.39 H new ATOM 0 HD22 LEU A 56 -0.749 -0.919 6.883 1.00 5.39 H new ATOM 0 HD23 LEU A 56 0.251 -0.929 5.411 1.00 5.39 H new ATOM 767 N ALA A 57 4.266 -2.978 6.550 1.00 7.34 N ATOM 768 CA ALA A 57 5.268 -3.359 5.555 1.00 8.24 C ATOM 769 C ALA A 57 6.246 -4.401 6.088 1.00 9.32 C ATOM 770 O ALA A 57 6.797 -5.194 5.327 1.00 10.11 O ATOM 771 CB ALA A 57 6.011 -2.138 5.048 1.00 8.30 C ATOM 0 H ALA A 57 4.271 -1.986 6.788 1.00 7.34 H new ATOM 0 HA ALA A 57 4.734 -3.817 4.722 1.00 8.24 H new ATOM 0 HB1 ALA A 57 6.752 -2.444 4.309 1.00 8.30 H new ATOM 0 HB2 ALA A 57 5.304 -1.447 4.589 1.00 8.30 H new ATOM 0 HB3 ALA A 57 6.512 -1.645 5.881 1.00 8.30 H new ATOM 777 N GLY A 58 6.460 -4.402 7.394 1.00 9.47 N ATOM 778 CA GLY A 58 7.355 -5.362 7.995 1.00 10.56 C ATOM 779 C GLY A 58 6.668 -6.675 8.292 1.00 11.35 C ATOM 780 O GLY A 58 7.250 -7.573 8.897 1.00 12.26 O ATOM 0 H GLY A 58 6.027 -3.751 8.049 1.00 9.47 H new ATOM 0 HA2 GLY A 58 8.198 -5.538 7.327 1.00 10.56 H new ATOM 0 HA3 GLY A 58 7.761 -4.949 8.919 1.00 10.56 H new ATOM 784 N LYS A 59 5.426 -6.781 7.860 1.00 11.16 N ATOM 785 CA LYS A 59 4.629 -7.969 8.075 1.00 12.06 C ATOM 786 C LYS A 59 4.192 -8.577 6.741 1.00 12.61 C ATOM 787 O LYS A 59 3.035 -8.970 6.575 1.00 13.49 O ATOM 788 CB LYS A 59 3.409 -7.618 8.916 1.00 12.17 C ATOM 789 CG LYS A 59 2.738 -8.817 9.564 1.00 13.28 C ATOM 790 CD LYS A 59 1.262 -8.566 9.807 1.00 13.70 C ATOM 791 CE LYS A 59 0.468 -8.672 8.515 1.00 13.92 C ATOM 792 NZ LYS A 59 0.631 -10.002 7.866 1.00 14.63 N ATOM 0 H LYS A 59 4.942 -6.043 7.349 1.00 11.16 H new ATOM 0 HA LYS A 59 5.233 -8.707 8.603 1.00 12.06 H new ATOM 0 HB2 LYS A 59 3.708 -6.917 9.695 1.00 12.17 H new ATOM 0 HB3 LYS A 59 2.682 -7.104 8.286 1.00 12.17 H new ATOM 0 HG2 LYS A 59 2.859 -9.692 8.925 1.00 13.28 H new ATOM 0 HG3 LYS A 59 3.230 -9.043 10.510 1.00 13.28 H new ATOM 0 HD2 LYS A 59 0.882 -9.287 10.531 1.00 13.70 H new ATOM 0 HD3 LYS A 59 1.125 -7.576 10.241 1.00 13.70 H new ATOM 0 HE2 LYS A 59 -0.588 -8.497 8.723 1.00 13.92 H new ATOM 0 HE3 LYS A 59 0.791 -7.891 7.826 1.00 13.92 H new ATOM 0 HZ1 LYS A 59 -0.212 -10.216 7.296 1.00 14.63 H new ATOM 0 HZ2 LYS A 59 1.470 -9.988 7.252 1.00 14.63 H new ATOM 0 HZ3 LYS A 59 0.749 -10.733 8.597 1.00 14.63 H new ATOM 888 N PRO B 103 -4.383 -14.533 6.857 1.00 3.93 N ATOM 889 CA PRO B 103 -5.655 -14.922 7.463 1.00 3.60 C ATOM 890 C PRO B 103 -6.838 -14.337 6.705 1.00 3.24 C ATOM 891 O PRO B 103 -6.679 -13.816 5.594 1.00 3.27 O ATOM 892 CB PRO B 103 -5.600 -14.313 8.870 1.00 3.69 C ATOM 893 CG PRO B 103 -4.224 -13.748 9.027 1.00 4.16 C ATOM 894 CD PRO B 103 -3.708 -13.496 7.643 1.00 4.23 C ATOM 0 HA PRO B 103 -5.788 -16.004 7.458 1.00 3.60 H new ATOM 0 HB2 PRO B 103 -6.355 -13.536 8.988 1.00 3.69 H new ATOM 0 HB3 PRO B 103 -5.799 -15.069 9.629 1.00 3.69 H new ATOM 0 HG2 PRO B 103 -4.247 -12.825 9.607 1.00 4.16 H new ATOM 0 HG3 PRO B 103 -3.577 -14.444 9.562 1.00 4.16 H new ATOM 0 HD2 PRO B 103 -3.958 -12.495 7.293 1.00 4.23 H new ATOM 0 HD3 PRO B 103 -2.623 -13.590 7.591 1.00 4.23 H new ATOM 902 N VAL B 104 -8.022 -14.430 7.305 1.00 2.99 N ATOM 903 CA VAL B 104 -9.218 -13.872 6.701 1.00 2.67 C ATOM 904 C VAL B 104 -9.024 -12.388 6.541 1.00 2.45 C ATOM 905 O VAL B 104 -8.442 -11.736 7.414 1.00 2.61 O ATOM 906 CB VAL B 104 -10.473 -14.078 7.551 1.00 2.51 C ATOM 907 CG1 VAL B 104 -11.721 -13.836 6.718 1.00 2.07 C ATOM 908 CG2 VAL B 104 -10.485 -15.461 8.180 1.00 3.04 C ATOM 0 H VAL B 104 -8.174 -14.885 8.205 1.00 2.99 H new ATOM 0 HA VAL B 104 -9.364 -14.385 5.750 1.00 2.67 H new ATOM 0 HB VAL B 104 -10.463 -13.352 8.364 1.00 2.51 H new ATOM 0 HG11 VAL B 104 -12.606 -13.986 7.336 1.00 2.07 H new ATOM 0 HG12 VAL B 104 -11.713 -12.814 6.339 1.00 2.07 H new ATOM 0 HG13 VAL B 104 -11.741 -14.534 5.881 1.00 2.07 H new ATOM 0 HG21 VAL B 104 -11.388 -15.581 8.779 1.00 3.04 H new ATOM 0 HG22 VAL B 104 -10.467 -16.218 7.396 1.00 3.04 H new ATOM 0 HG23 VAL B 104 -9.609 -15.578 8.818 1.00 3.04 H new ATOM 912 N THR B 105 -9.535 -11.844 5.465 1.00 2.19 N ATOM 913 CA THR B 105 -9.366 -10.423 5.213 1.00 2.02 C ATOM 914 C THR B 105 -10.582 -9.852 4.499 1.00 1.76 C ATOM 915 O THR B 105 -11.518 -10.587 4.182 1.00 1.76 O ATOM 916 CB THR B 105 -8.077 -10.138 4.406 1.00 2.29 C ATOM 917 OG1 THR B 105 -7.952 -11.075 3.327 1.00 2.46 O ATOM 918 CG2 THR B 105 -6.837 -10.216 5.299 1.00 2.83 C ATOM 0 H THR B 105 -10.065 -12.349 4.755 1.00 2.19 H new ATOM 0 HA THR B 105 -9.268 -9.928 6.179 1.00 2.02 H new ATOM 0 HB THR B 105 -8.150 -9.127 4.004 1.00 2.29 H new ATOM 0 HG1 THR B 105 -8.797 -11.559 3.215 1.00 2.46 H new ATOM 0 HG21 THR B 105 -5.947 -10.011 4.704 1.00 2.83 H new ATOM 0 HG22 THR B 105 -6.917 -9.479 6.098 1.00 2.83 H new ATOM 0 HG23 THR B 105 -6.763 -11.214 5.732 1.00 2.83 H new ATOM 923 N LEU B 106 -10.556 -8.549 4.230 1.00 1.62 N ATOM 924 CA LEU B 106 -11.690 -7.913 3.570 1.00 1.43 C ATOM 925 C LEU B 106 -11.837 -8.448 2.167 1.00 1.57 C ATOM 926 O LEU B 106 -12.930 -8.467 1.636 1.00 1.51 O ATOM 927 CB LEU B 106 -11.621 -6.382 3.523 1.00 1.45 C ATOM 928 CG LEU B 106 -10.295 -5.730 3.887 1.00 1.66 C ATOM 929 CD1 LEU B 106 -9.426 -5.568 2.660 1.00 2.20 C ATOM 930 CD2 LEU B 106 -10.547 -4.381 4.527 1.00 2.26 C ATOM 0 H LEU B 106 -9.780 -7.926 4.453 1.00 1.62 H new ATOM 0 HA LEU B 106 -12.559 -8.162 4.179 1.00 1.43 H new ATOM 0 HB2 LEU B 106 -11.888 -6.063 2.515 1.00 1.45 H new ATOM 0 HB3 LEU B 106 -12.385 -5.989 4.194 1.00 1.45 H new ATOM 0 HG LEU B 106 -9.772 -6.373 4.596 1.00 1.66 H new ATOM 0 HD11 LEU B 106 -8.483 -5.100 2.941 1.00 2.20 H new ATOM 0 HD12 LEU B 106 -9.229 -6.546 2.222 1.00 2.20 H new ATOM 0 HD13 LEU B 106 -9.939 -4.941 1.931 1.00 2.20 H new ATOM 0 HD21 LEU B 106 -9.595 -3.918 4.786 1.00 2.26 H new ATOM 0 HD22 LEU B 106 -11.084 -3.741 3.827 1.00 2.26 H new ATOM 0 HD23 LEU B 106 -11.144 -4.512 5.429 1.00 2.26 H new ATOM 936 N TYR B 107 -10.738 -8.913 1.586 1.00 1.84 N ATOM 937 CA TYR B 107 -10.758 -9.469 0.248 1.00 2.08 C ATOM 938 C TYR B 107 -11.625 -10.713 0.221 1.00 2.14 C ATOM 939 O TYR B 107 -12.388 -10.939 -0.711 1.00 2.25 O ATOM 940 CB TYR B 107 -9.342 -9.854 -0.180 1.00 2.41 C ATOM 941 CG TYR B 107 -8.455 -8.699 -0.577 1.00 2.54 C ATOM 942 CD1 TYR B 107 -7.686 -8.038 0.369 1.00 2.48 C ATOM 943 CD2 TYR B 107 -8.366 -8.290 -1.899 1.00 2.95 C ATOM 944 CE1 TYR B 107 -6.852 -6.999 0.009 1.00 2.66 C ATOM 945 CE2 TYR B 107 -7.539 -7.250 -2.269 1.00 3.16 C ATOM 946 CZ TYR B 107 -6.781 -6.608 -1.311 1.00 2.95 C ATOM 947 OH TYR B 107 -5.948 -5.576 -1.677 1.00 3.21 O ATOM 0 H TYR B 107 -9.819 -8.914 2.028 1.00 1.84 H new ATOM 0 HA TYR B 107 -11.159 -8.719 -0.433 1.00 2.08 H new ATOM 0 HB2 TYR B 107 -8.866 -10.392 0.639 1.00 2.41 H new ATOM 0 HB3 TYR B 107 -9.409 -10.546 -1.020 1.00 2.41 H new ATOM 0 HD1 TYR B 107 -7.741 -8.341 1.404 1.00 2.48 H new ATOM 0 HD2 TYR B 107 -8.954 -8.794 -2.652 1.00 2.95 H new ATOM 0 HE1 TYR B 107 -6.258 -6.495 0.757 1.00 2.66 H new ATOM 0 HE2 TYR B 107 -7.485 -6.940 -3.302 1.00 3.16 H new ATOM 0 HH TYR B 107 -6.016 -5.428 -2.643 1.00 3.21 H new ATOM 957 N ASP B 108 -11.499 -11.501 1.276 1.00 2.13 N ATOM 958 CA ASP B 108 -12.212 -12.752 1.426 1.00 2.26 C ATOM 959 C ASP B 108 -13.687 -12.510 1.585 1.00 1.98 C ATOM 960 O ASP B 108 -14.500 -13.030 0.823 1.00 2.08 O ATOM 961 CB ASP B 108 -11.682 -13.473 2.668 1.00 2.44 C ATOM 962 CG ASP B 108 -10.254 -13.943 2.526 1.00 3.03 C ATOM 963 OD1 ASP B 108 -10.026 -15.014 1.930 1.00 3.58 O ATOM 964 OD2 ASP B 108 -9.351 -13.249 3.035 1.00 3.15 O ATOM 0 H ASP B 108 -10.888 -11.283 2.063 1.00 2.13 H new ATOM 0 HA ASP B 108 -12.056 -13.359 0.534 1.00 2.26 H new ATOM 0 HB2 ASP B 108 -11.753 -12.804 3.525 1.00 2.44 H new ATOM 0 HB3 ASP B 108 -12.320 -14.331 2.880 1.00 2.44 H new ATOM 969 N VAL B 109 -14.039 -11.717 2.578 1.00 1.68 N ATOM 970 CA VAL B 109 -15.431 -11.434 2.818 1.00 1.42 C ATOM 971 C VAL B 109 -16.026 -10.609 1.675 1.00 1.35 C ATOM 972 O VAL B 109 -17.221 -10.683 1.417 1.00 1.34 O ATOM 973 CB VAL B 109 -15.697 -10.819 4.224 1.00 1.19 C ATOM 974 CG1 VAL B 109 -14.442 -10.786 5.087 1.00 1.37 C ATOM 975 CG2 VAL B 109 -16.324 -9.441 4.146 1.00 1.54 C ATOM 0 H VAL B 109 -13.388 -11.265 3.220 1.00 1.68 H new ATOM 0 HA VAL B 109 -15.957 -12.388 2.832 1.00 1.42 H new ATOM 0 HB VAL B 109 -16.416 -11.482 4.704 1.00 1.19 H new ATOM 0 HG11 VAL B 109 -14.679 -10.349 6.057 1.00 1.37 H new ATOM 0 HG12 VAL B 109 -14.070 -11.801 5.228 1.00 1.37 H new ATOM 0 HG13 VAL B 109 -13.678 -10.185 4.595 1.00 1.37 H new ATOM 0 HG21 VAL B 109 -16.488 -9.058 5.153 1.00 1.54 H new ATOM 0 HG22 VAL B 109 -15.658 -8.768 3.606 1.00 1.54 H new ATOM 0 HG23 VAL B 109 -17.278 -9.504 3.622 1.00 1.54 H new ATOM 979 N ALA B 110 -15.185 -9.855 0.968 1.00 1.43 N ATOM 980 CA ALA B 110 -15.647 -9.077 -0.182 1.00 1.57 C ATOM 981 C ALA B 110 -15.929 -10.020 -1.338 1.00 1.86 C ATOM 982 O ALA B 110 -16.855 -9.821 -2.122 1.00 1.97 O ATOM 983 CB ALA B 110 -14.621 -8.039 -0.600 1.00 1.73 C ATOM 0 H ALA B 110 -14.189 -9.766 1.168 1.00 1.43 H new ATOM 0 HA ALA B 110 -16.557 -8.547 0.101 1.00 1.57 H new ATOM 0 HB1 ALA B 110 -14.997 -7.480 -1.457 1.00 1.73 H new ATOM 0 HB2 ALA B 110 -14.438 -7.354 0.228 1.00 1.73 H new ATOM 0 HB3 ALA B 110 -13.690 -8.537 -0.872 1.00 1.73 H new ATOM 989 N GLU B 111 -15.119 -11.063 -1.408 1.00 2.03 N ATOM 990 CA GLU B 111 -15.232 -12.080 -2.437 1.00 2.36 C ATOM 991 C GLU B 111 -16.494 -12.881 -2.193 1.00 2.34 C ATOM 992 O GLU B 111 -17.268 -13.179 -3.103 1.00 2.59 O ATOM 993 CB GLU B 111 -13.998 -12.974 -2.380 1.00 2.62 C ATOM 994 CG GLU B 111 -13.169 -12.924 -3.647 1.00 3.04 C ATOM 995 CD GLU B 111 -14.014 -13.069 -4.893 1.00 3.49 C ATOM 996 OE1 GLU B 111 -14.294 -14.218 -5.293 1.00 3.62 O ATOM 997 OE2 GLU B 111 -14.409 -12.036 -5.474 1.00 3.91 O ATOM 0 H GLU B 111 -14.360 -11.228 -0.747 1.00 2.03 H new ATOM 0 HA GLU B 111 -15.291 -11.628 -3.427 1.00 2.36 H new ATOM 0 HB2 GLU B 111 -13.378 -12.674 -1.535 1.00 2.62 H new ATOM 0 HB3 GLU B 111 -14.310 -14.002 -2.197 1.00 2.62 H new ATOM 0 HG2 GLU B 111 -12.627 -11.979 -3.687 1.00 3.04 H new ATOM 0 HG3 GLU B 111 -12.423 -13.719 -3.622 1.00 3.04 H new ATOM 1004 N TYR B 112 -16.670 -13.193 -0.927 1.00 2.08 N ATOM 1005 CA TYR B 112 -17.811 -13.923 -0.419 1.00 2.09 C ATOM 1006 C TYR B 112 -19.094 -13.153 -0.669 1.00 1.93 C ATOM 1007 O TYR B 112 -20.027 -13.628 -1.311 1.00 2.13 O ATOM 1008 CB TYR B 112 -17.620 -14.033 1.074 1.00 1.99 C ATOM 1009 CG TYR B 112 -18.001 -15.347 1.691 1.00 2.31 C ATOM 1010 CD1 TYR B 112 -17.334 -16.519 1.370 1.00 2.34 C ATOM 1011 CD2 TYR B 112 -19.017 -15.402 2.626 1.00 2.64 C ATOM 1012 CE1 TYR B 112 -17.678 -17.712 1.970 1.00 2.67 C ATOM 1013 CE2 TYR B 112 -19.366 -16.581 3.225 1.00 2.96 C ATOM 1014 CZ TYR B 112 -18.696 -17.737 2.897 1.00 2.97 C ATOM 1015 OH TYR B 112 -19.047 -18.919 3.503 1.00 3.32 O ATOM 0 H TYR B 112 -16.002 -12.937 -0.200 1.00 2.08 H new ATOM 0 HA TYR B 112 -17.883 -14.894 -0.908 1.00 2.09 H new ATOM 0 HB2 TYR B 112 -16.572 -13.838 1.302 1.00 1.99 H new ATOM 0 HB3 TYR B 112 -18.202 -13.246 1.554 1.00 1.99 H new ATOM 0 HD1 TYR B 112 -16.536 -16.498 0.642 1.00 2.34 H new ATOM 0 HD2 TYR B 112 -19.545 -14.497 2.889 1.00 2.64 H new ATOM 0 HE1 TYR B 112 -17.153 -18.620 1.715 1.00 2.67 H new ATOM 0 HE2 TYR B 112 -20.164 -16.604 3.952 1.00 2.96 H new ATOM 0 HH TYR B 112 -19.969 -18.858 3.829 1.00 3.32 H new ATOM 1025 N ALA B 113 -19.106 -11.955 -0.116 1.00 1.63 N ATOM 1026 CA ALA B 113 -20.234 -11.061 -0.209 1.00 1.55 C ATOM 1027 C ALA B 113 -20.589 -10.724 -1.650 1.00 1.73 C ATOM 1028 O ALA B 113 -21.740 -10.428 -1.957 1.00 1.87 O ATOM 1029 CB ALA B 113 -19.959 -9.801 0.588 1.00 1.29 C ATOM 0 H ALA B 113 -18.322 -11.575 0.415 1.00 1.63 H new ATOM 0 HA ALA B 113 -21.098 -11.573 0.213 1.00 1.55 H new ATOM 0 HB1 ALA B 113 -20.815 -9.130 0.514 1.00 1.29 H new ATOM 0 HB2 ALA B 113 -19.791 -10.061 1.633 1.00 1.29 H new ATOM 0 HB3 ALA B 113 -19.073 -9.305 0.191 1.00 1.29 H new ATOM 1035 N GLY B 114 -19.615 -10.800 -2.533 1.00 1.82 N ATOM 1036 CA GLY B 114 -19.860 -10.476 -3.919 1.00 2.08 C ATOM 1037 C GLY B 114 -19.778 -8.987 -4.137 1.00 2.12 C ATOM 1038 O GLY B 114 -20.572 -8.399 -4.877 1.00 2.49 O ATOM 0 H GLY B 114 -18.658 -11.080 -2.318 1.00 1.82 H new ATOM 0 HA2 GLY B 114 -19.131 -10.982 -4.551 1.00 2.08 H new ATOM 0 HA3 GLY B 114 -20.844 -10.839 -4.215 1.00 2.08 H new ATOM 1042 N VAL B 115 -18.798 -8.382 -3.488 1.00 1.87 N ATOM 1043 CA VAL B 115 -18.566 -6.957 -3.563 1.00 1.97 C ATOM 1044 C VAL B 115 -17.070 -6.694 -3.709 1.00 2.04 C ATOM 1045 O VAL B 115 -16.302 -7.602 -4.027 1.00 2.07 O ATOM 1046 CB VAL B 115 -19.083 -6.245 -2.294 1.00 1.78 C ATOM 1047 CG1 VAL B 115 -20.576 -6.392 -2.175 1.00 1.98 C ATOM 1048 CG2 VAL B 115 -18.426 -6.801 -1.040 1.00 1.43 C ATOM 0 H VAL B 115 -18.136 -8.875 -2.889 1.00 1.87 H new ATOM 0 HA VAL B 115 -19.104 -6.566 -4.426 1.00 1.97 H new ATOM 0 HB VAL B 115 -18.826 -5.190 -2.387 1.00 1.78 H new ATOM 0 HG11 VAL B 115 -20.921 -5.884 -1.275 1.00 1.98 H new ATOM 0 HG12 VAL B 115 -21.056 -5.950 -3.048 1.00 1.98 H new ATOM 0 HG13 VAL B 115 -20.834 -7.449 -2.116 1.00 1.98 H new ATOM 0 HG21 VAL B 115 -18.812 -6.278 -0.165 1.00 1.43 H new ATOM 0 HG22 VAL B 115 -18.648 -7.865 -0.954 1.00 1.43 H new ATOM 0 HG23 VAL B 115 -17.347 -6.659 -1.101 1.00 1.43 H new ATOM 1052 N SER B 116 -16.665 -5.461 -3.487 1.00 2.14 N ATOM 1053 CA SER B 116 -15.265 -5.108 -3.562 1.00 2.22 C ATOM 1054 C SER B 116 -14.738 -4.903 -2.158 1.00 1.95 C ATOM 1055 O SER B 116 -15.497 -4.977 -1.183 1.00 1.73 O ATOM 1056 CB SER B 116 -15.063 -3.835 -4.386 1.00 2.55 C ATOM 1057 OG SER B 116 -15.561 -2.704 -3.696 1.00 2.98 O ATOM 0 H SER B 116 -17.287 -4.687 -3.253 1.00 2.14 H new ATOM 0 HA SER B 116 -14.721 -5.914 -4.053 1.00 2.22 H new ATOM 0 HB2 SER B 116 -14.003 -3.699 -4.599 1.00 2.55 H new ATOM 0 HB3 SER B 116 -15.570 -3.933 -5.346 1.00 2.55 H new ATOM 0 HG SER B 116 -16.369 -2.953 -3.200 1.00 2.98 H new ATOM 1063 N VAL B 117 -13.458 -4.621 -2.042 1.00 2.03 N ATOM 1064 CA VAL B 117 -12.865 -4.394 -0.751 1.00 1.86 C ATOM 1065 C VAL B 117 -13.274 -3.031 -0.248 1.00 1.85 C ATOM 1066 O VAL B 117 -13.136 -2.719 0.933 1.00 1.67 O ATOM 1067 CB VAL B 117 -11.341 -4.497 -0.816 1.00 2.11 C ATOM 1068 CG1 VAL B 117 -10.963 -5.891 -1.246 1.00 2.70 C ATOM 1069 CG2 VAL B 117 -10.745 -3.456 -1.759 1.00 2.38 C ATOM 0 H VAL B 117 -12.812 -4.545 -2.828 1.00 2.03 H new ATOM 0 HA VAL B 117 -13.220 -5.162 -0.064 1.00 1.86 H new ATOM 0 HB VAL B 117 -10.932 -4.295 0.174 1.00 2.11 H new ATOM 0 HG11 VAL B 117 -9.877 -5.975 -1.295 1.00 2.70 H new ATOM 0 HG12 VAL B 117 -11.350 -6.612 -0.526 1.00 2.70 H new ATOM 0 HG13 VAL B 117 -11.388 -6.096 -2.229 1.00 2.70 H new ATOM 0 HG21 VAL B 117 -9.660 -3.561 -1.778 1.00 2.38 H new ATOM 0 HG22 VAL B 117 -11.142 -3.605 -2.763 1.00 2.38 H new ATOM 0 HG23 VAL B 117 -11.007 -2.457 -1.410 1.00 2.38 H new ATOM 1073 N ALA B 118 -13.797 -2.230 -1.165 1.00 2.11 N ATOM 1074 CA ALA B 118 -14.256 -0.904 -0.843 1.00 2.23 C ATOM 1075 C ALA B 118 -15.578 -0.984 -0.108 1.00 2.07 C ATOM 1076 O ALA B 118 -15.873 -0.152 0.742 1.00 2.12 O ATOM 1077 CB ALA B 118 -14.392 -0.063 -2.102 1.00 2.61 C ATOM 0 H ALA B 118 -13.911 -2.487 -2.145 1.00 2.11 H new ATOM 0 HA ALA B 118 -13.522 -0.424 -0.196 1.00 2.23 H new ATOM 0 HB1 ALA B 118 -14.740 0.935 -1.837 1.00 2.61 H new ATOM 0 HB2 ALA B 118 -13.424 0.010 -2.597 1.00 2.61 H new ATOM 0 HB3 ALA B 118 -15.110 -0.530 -2.776 1.00 2.61 H new ATOM 1083 N THR B 119 -16.376 -1.998 -0.434 1.00 1.94 N ATOM 1084 CA THR B 119 -17.663 -2.185 0.200 1.00 1.84 C ATOM 1085 C THR B 119 -17.507 -2.700 1.626 1.00 1.51 C ATOM 1086 O THR B 119 -18.113 -2.187 2.568 1.00 1.51 O ATOM 1087 CB THR B 119 -18.499 -3.182 -0.612 1.00 1.93 C ATOM 1088 OG1 THR B 119 -18.080 -3.149 -1.985 1.00 2.18 O ATOM 1089 CG2 THR B 119 -19.976 -2.849 -0.525 1.00 2.17 C ATOM 0 H THR B 119 -16.146 -2.701 -1.137 1.00 1.94 H new ATOM 0 HA THR B 119 -18.166 -1.219 0.236 1.00 1.84 H new ATOM 0 HB THR B 119 -18.346 -4.179 -0.199 1.00 1.93 H new ATOM 0 HG1 THR B 119 -18.867 -3.179 -2.568 1.00 2.18 H new ATOM 0 HG21 THR B 119 -20.547 -3.571 -1.109 1.00 2.17 H new ATOM 0 HG22 THR B 119 -20.297 -2.889 0.516 1.00 2.17 H new ATOM 0 HG23 THR B 119 -20.147 -1.847 -0.919 1.00 2.17 H new ATOM 1094 N VAL B 120 -16.683 -3.720 1.765 1.00 1.33 N ATOM 1095 CA VAL B 120 -16.423 -4.347 3.058 1.00 1.05 C ATOM 1096 C VAL B 120 -15.791 -3.395 4.058 1.00 1.07 C ATOM 1097 O VAL B 120 -16.191 -3.369 5.223 1.00 0.98 O ATOM 1098 CB VAL B 120 -15.542 -5.586 2.889 1.00 1.05 C ATOM 1099 CG1 VAL B 120 -15.046 -6.119 4.228 1.00 1.29 C ATOM 1100 CG2 VAL B 120 -16.338 -6.634 2.164 1.00 1.25 C ATOM 0 H VAL B 120 -16.172 -4.141 0.989 1.00 1.33 H new ATOM 0 HA VAL B 120 -17.393 -4.640 3.460 1.00 1.05 H new ATOM 0 HB VAL B 120 -14.656 -5.317 2.314 1.00 1.05 H new ATOM 0 HG11 VAL B 120 -14.424 -6.999 4.062 1.00 1.29 H new ATOM 0 HG12 VAL B 120 -14.460 -5.350 4.731 1.00 1.29 H new ATOM 0 HG13 VAL B 120 -15.899 -6.390 4.850 1.00 1.29 H new ATOM 0 HG21 VAL B 120 -15.728 -7.528 2.032 1.00 1.25 H new ATOM 0 HG22 VAL B 120 -17.226 -6.883 2.745 1.00 1.25 H new ATOM 0 HG23 VAL B 120 -16.638 -6.253 1.188 1.00 1.25 H new ATOM 1104 N SER B 121 -14.827 -2.605 3.614 1.00 1.32 N ATOM 1105 CA SER B 121 -14.180 -1.660 4.490 1.00 1.42 C ATOM 1106 C SER B 121 -15.211 -0.684 5.022 1.00 1.54 C ATOM 1107 O SER B 121 -15.065 -0.180 6.120 1.00 1.64 O ATOM 1108 CB SER B 121 -13.073 -0.919 3.758 1.00 1.73 C ATOM 1109 OG SER B 121 -13.462 -0.639 2.432 1.00 2.33 O ATOM 0 H SER B 121 -14.481 -2.604 2.655 1.00 1.32 H new ATOM 0 HA SER B 121 -13.728 -2.197 5.324 1.00 1.42 H new ATOM 0 HB2 SER B 121 -12.842 0.010 4.280 1.00 1.73 H new ATOM 0 HB3 SER B 121 -12.163 -1.519 3.758 1.00 1.73 H new ATOM 0 HG SER B 121 -13.025 -1.270 1.823 1.00 2.33 H new ATOM 1115 N ARG B 122 -16.267 -0.428 4.244 1.00 1.65 N ATOM 1116 CA ARG B 122 -17.318 0.455 4.684 1.00 1.87 C ATOM 1117 C ARG B 122 -18.017 -0.154 5.871 1.00 1.69 C ATOM 1118 O ARG B 122 -18.098 0.455 6.918 1.00 1.81 O ATOM 1119 CB ARG B 122 -18.335 0.686 3.586 1.00 2.16 C ATOM 1120 CG ARG B 122 -17.803 1.430 2.378 1.00 2.54 C ATOM 1121 CD ARG B 122 -17.444 2.874 2.707 1.00 3.12 C ATOM 1122 NE ARG B 122 -16.099 2.990 3.270 1.00 3.54 N ATOM 1123 CZ ARG B 122 -15.828 3.522 4.464 1.00 4.20 C ATOM 1124 NH1 ARG B 122 -16.807 3.955 5.245 1.00 4.65 N ATOM 1125 NH2 ARG B 122 -14.572 3.619 4.882 1.00 4.73 N ATOM 0 H ARG B 122 -16.404 -0.824 3.314 1.00 1.65 H new ATOM 0 HA ARG B 122 -16.868 1.411 4.952 1.00 1.87 H new ATOM 0 HB2 ARG B 122 -18.723 -0.279 3.260 1.00 2.16 H new ATOM 0 HB3 ARG B 122 -19.175 1.244 3.999 1.00 2.16 H new ATOM 0 HG2 ARG B 122 -16.921 0.916 1.995 1.00 2.54 H new ATOM 0 HG3 ARG B 122 -18.551 1.414 1.585 1.00 2.54 H new ATOM 0 HD2 ARG B 122 -17.512 3.479 1.803 1.00 3.12 H new ATOM 0 HD3 ARG B 122 -18.169 3.276 3.415 1.00 3.12 H new ATOM 0 HE ARG B 122 -15.318 2.642 2.714 1.00 3.54 H new ATOM 0 HH11 ARG B 122 -17.776 3.883 4.935 1.00 4.65 H new ATOM 0 HH12 ARG B 122 -16.591 4.360 6.156 1.00 4.65 H new ATOM 0 HH21 ARG B 122 -13.811 3.287 4.290 1.00 4.73 H new ATOM 0 HH22 ARG B 122 -14.368 4.026 5.795 1.00 4.73 H new ATOM 1139 N VAL B 123 -18.466 -1.390 5.699 1.00 1.48 N ATOM 1140 CA VAL B 123 -19.174 -2.106 6.751 1.00 1.43 C ATOM 1141 C VAL B 123 -18.271 -2.270 7.961 1.00 1.23 C ATOM 1142 O VAL B 123 -18.699 -2.086 9.103 1.00 1.39 O ATOM 1143 CB VAL B 123 -19.676 -3.475 6.281 1.00 1.43 C ATOM 1144 CG1 VAL B 123 -20.475 -4.134 7.387 1.00 2.11 C ATOM 1145 CG2 VAL B 123 -20.519 -3.336 5.022 1.00 1.71 C ATOM 0 H VAL B 123 -18.351 -1.920 4.835 1.00 1.48 H new ATOM 0 HA VAL B 123 -20.048 -1.514 7.021 1.00 1.43 H new ATOM 0 HB VAL B 123 -18.817 -4.102 6.042 1.00 1.43 H new ATOM 0 HG11 VAL B 123 -20.830 -5.107 7.049 1.00 2.11 H new ATOM 0 HG12 VAL B 123 -19.842 -4.264 8.265 1.00 2.11 H new ATOM 0 HG13 VAL B 123 -21.328 -3.506 7.644 1.00 2.11 H new ATOM 0 HG21 VAL B 123 -20.865 -4.320 4.705 1.00 1.71 H new ATOM 0 HG22 VAL B 123 -21.378 -2.698 5.228 1.00 1.71 H new ATOM 0 HG23 VAL B 123 -19.918 -2.890 4.229 1.00 1.71 H new ATOM 1149 N VAL B 124 -17.020 -2.604 7.693 1.00 1.01 N ATOM 1150 CA VAL B 124 -16.012 -2.732 8.724 1.00 0.97 C ATOM 1151 C VAL B 124 -15.872 -1.385 9.436 1.00 1.22 C ATOM 1152 O VAL B 124 -15.577 -1.305 10.630 1.00 1.41 O ATOM 1153 CB VAL B 124 -14.678 -3.155 8.067 1.00 0.84 C ATOM 1154 CG1 VAL B 124 -13.480 -2.509 8.710 1.00 1.19 C ATOM 1155 CG2 VAL B 124 -14.521 -4.658 8.089 1.00 0.77 C ATOM 0 H VAL B 124 -16.677 -2.794 6.751 1.00 1.01 H new ATOM 0 HA VAL B 124 -16.293 -3.489 9.456 1.00 0.97 H new ATOM 0 HB VAL B 124 -14.722 -2.808 7.035 1.00 0.84 H new ATOM 0 HG11 VAL B 124 -12.573 -2.843 8.207 1.00 1.19 H new ATOM 0 HG12 VAL B 124 -13.563 -1.425 8.627 1.00 1.19 H new ATOM 0 HG13 VAL B 124 -13.436 -2.790 9.762 1.00 1.19 H new ATOM 0 HG21 VAL B 124 -13.575 -4.932 7.621 1.00 0.77 H new ATOM 0 HG22 VAL B 124 -14.531 -5.010 9.121 1.00 0.77 H new ATOM 0 HG23 VAL B 124 -15.343 -5.118 7.541 1.00 0.77 H new ATOM 1159 N ASN B 125 -16.117 -0.335 8.666 1.00 1.33 N ATOM 1160 CA ASN B 125 -16.060 1.033 9.172 1.00 1.62 C ATOM 1161 C ASN B 125 -17.442 1.516 9.586 1.00 1.85 C ATOM 1162 O ASN B 125 -17.712 2.719 9.574 1.00 2.18 O ATOM 1163 CB ASN B 125 -15.515 1.984 8.113 1.00 1.76 C ATOM 1164 CG ASN B 125 -14.015 2.153 8.169 1.00 1.72 C ATOM 1165 OD1 ASN B 125 -13.492 2.926 8.968 1.00 2.01 O ATOM 1166 ND2 ASN B 125 -13.313 1.439 7.308 1.00 1.57 N ATOM 0 H ASN B 125 -16.360 -0.404 7.678 1.00 1.33 H new ATOM 0 HA ASN B 125 -15.397 1.028 10.037 1.00 1.62 H new ATOM 0 HB2 ASN B 125 -15.794 1.615 7.126 1.00 1.76 H new ATOM 0 HB3 ASN B 125 -15.987 2.959 8.234 1.00 1.76 H new ATOM 0 HD21 ASN B 125 -12.296 1.518 7.289 1.00 1.57 H new ATOM 0 HD22 ASN B 125 -13.788 0.809 6.662 1.00 1.57 H new ATOM 1173 N GLN B 126 -18.317 0.569 9.928 1.00 1.75 N ATOM 1174 CA GLN B 126 -19.685 0.870 10.357 1.00 2.00 C ATOM 1175 C GLN B 126 -20.436 1.466 9.182 1.00 2.28 C ATOM 1176 O GLN B 126 -21.047 2.535 9.280 1.00 2.59 O ATOM 1177 CB GLN B 126 -19.758 1.794 11.585 1.00 2.28 C ATOM 1178 CG GLN B 126 -18.506 1.807 12.446 1.00 2.26 C ATOM 1179 CD GLN B 126 -18.019 0.425 12.830 1.00 2.20 C ATOM 1180 OE1 GLN B 126 -18.805 -0.477 13.121 1.00 2.62 O ATOM 1181 NE2 GLN B 126 -16.709 0.254 12.818 1.00 2.05 N ATOM 0 H GLN B 126 -18.098 -0.427 9.916 1.00 1.75 H new ATOM 0 HA GLN B 126 -20.148 -0.064 10.676 1.00 2.00 H new ATOM 0 HB2 GLN B 126 -19.960 2.810 11.246 1.00 2.28 H new ATOM 0 HB3 GLN B 126 -20.603 1.490 12.202 1.00 2.28 H new ATOM 0 HG2 GLN B 126 -17.712 2.327 11.910 1.00 2.26 H new ATOM 0 HG3 GLN B 126 -18.705 2.378 13.353 1.00 2.26 H new ATOM 0 HE21 GLN B 126 -16.096 1.030 12.570 1.00 2.05 H new ATOM 0 HE22 GLN B 126 -16.311 -0.654 13.056 1.00 2.05 H new ATOM 1188 N ALA B 127 -20.367 0.717 8.083 1.00 2.26 N ATOM 1189 CA ALA B 127 -20.962 1.039 6.790 1.00 2.68 C ATOM 1190 C ALA B 127 -21.001 2.531 6.470 1.00 2.58 C ATOM 1191 O ALA B 127 -20.047 3.068 5.903 1.00 2.78 O ATOM 1192 CB ALA B 127 -22.332 0.406 6.701 1.00 3.35 C ATOM 0 H ALA B 127 -19.870 -0.174 8.071 1.00 2.26 H new ATOM 0 HA ALA B 127 -20.311 0.619 6.023 1.00 2.68 H new ATOM 0 HB1 ALA B 127 -22.781 0.644 5.737 1.00 3.35 H new ATOM 0 HB2 ALA B 127 -22.240 -0.675 6.802 1.00 3.35 H new ATOM 0 HB3 ALA B 127 -22.964 0.793 7.500 1.00 3.35 H new ATOM 1198 N SER B 128 -22.117 3.170 6.813 1.00 2.78 N ATOM 1199 CA SER B 128 -22.343 4.592 6.565 1.00 3.07 C ATOM 1200 C SER B 128 -22.558 4.871 5.073 1.00 3.19 C ATOM 1201 O SER B 128 -23.395 5.690 4.705 1.00 3.58 O ATOM 1202 CB SER B 128 -21.185 5.416 7.112 1.00 3.43 C ATOM 1203 OG SER B 128 -21.049 5.238 8.513 1.00 3.90 O ATOM 0 H SER B 128 -22.900 2.709 7.277 1.00 2.78 H new ATOM 0 HA SER B 128 -23.254 4.886 7.087 1.00 3.07 H new ATOM 0 HB2 SER B 128 -20.260 5.125 6.614 1.00 3.43 H new ATOM 0 HB3 SER B 128 -21.348 6.471 6.890 1.00 3.43 H new ATOM 0 HG SER B 128 -21.008 4.281 8.719 1.00 3.90 H new ATOM 1209 N HIS B 129 -21.810 4.175 4.223 1.00 2.99 N ATOM 1210 CA HIS B 129 -21.929 4.323 2.776 1.00 3.16 C ATOM 1211 C HIS B 129 -22.152 2.960 2.139 1.00 2.98 C ATOM 1212 O HIS B 129 -21.692 2.695 1.036 1.00 3.05 O ATOM 1213 CB HIS B 129 -20.699 5.002 2.148 1.00 3.29 C ATOM 1214 CG HIS B 129 -20.771 6.502 2.141 1.00 3.68 C ATOM 1215 ND1 HIS B 129 -20.240 7.282 1.136 1.00 4.09 N ATOM 1216 CD2 HIS B 129 -21.337 7.364 3.018 1.00 3.92 C ATOM 1217 CE1 HIS B 129 -20.475 8.555 1.396 1.00 4.48 C ATOM 1218 NE2 HIS B 129 -21.138 8.633 2.535 1.00 4.40 N ATOM 0 H HIS B 129 -21.108 3.496 4.515 1.00 2.99 H new ATOM 0 HA HIS B 129 -22.784 4.971 2.584 1.00 3.16 H new ATOM 0 HB2 HIS B 129 -19.807 4.693 2.693 1.00 3.29 H new ATOM 0 HB3 HIS B 129 -20.584 4.648 1.123 1.00 3.29 H new ATOM 0 HD2 HIS B 129 -21.851 7.101 3.931 1.00 3.92 H new ATOM 0 HE1 HIS B 129 -20.176 9.391 0.781 1.00 4.48 H new ATOM 0 HE2 HIS B 129 -21.451 9.495 2.982 1.00 4.40 H new ATOM 1227 N VAL B 130 -22.848 2.100 2.871 1.00 2.81 N ATOM 1228 CA VAL B 130 -23.189 0.764 2.421 1.00 2.71 C ATOM 1229 C VAL B 130 -24.671 0.512 2.679 1.00 2.91 C ATOM 1230 O VAL B 130 -25.185 0.877 3.736 1.00 3.16 O ATOM 1231 CB VAL B 130 -22.339 -0.316 3.144 1.00 2.44 C ATOM 1232 CG1 VAL B 130 -23.173 -1.510 3.592 1.00 2.56 C ATOM 1233 CG2 VAL B 130 -21.222 -0.787 2.247 1.00 2.52 C ATOM 0 H VAL B 130 -23.194 2.317 3.806 1.00 2.81 H new ATOM 0 HA VAL B 130 -22.975 0.696 1.354 1.00 2.71 H new ATOM 0 HB VAL B 130 -21.926 0.151 4.038 1.00 2.44 H new ATOM 0 HG11 VAL B 130 -22.531 -2.235 4.092 1.00 2.56 H new ATOM 0 HG12 VAL B 130 -23.947 -1.175 4.282 1.00 2.56 H new ATOM 0 HG13 VAL B 130 -23.638 -1.975 2.723 1.00 2.56 H new ATOM 0 HG21 VAL B 130 -20.634 -1.544 2.766 1.00 2.52 H new ATOM 0 HG22 VAL B 130 -21.642 -1.215 1.337 1.00 2.52 H new ATOM 0 HG23 VAL B 130 -20.582 0.057 1.989 1.00 2.52 H new ATOM 1237 N SER B 131 -25.363 -0.067 1.707 1.00 3.16 N ATOM 1238 CA SER B 131 -26.775 -0.387 1.854 1.00 3.41 C ATOM 1239 C SER B 131 -26.987 -1.390 2.993 1.00 3.34 C ATOM 1240 O SER B 131 -26.118 -2.218 3.265 1.00 3.52 O ATOM 1241 CB SER B 131 -27.279 -0.960 0.534 1.00 3.60 C ATOM 1242 OG SER B 131 -26.192 -1.160 -0.357 1.00 3.66 O ATOM 0 H SER B 131 -24.966 -0.326 0.804 1.00 3.16 H new ATOM 0 HA SER B 131 -27.333 0.515 2.103 1.00 3.41 H new ATOM 0 HB2 SER B 131 -27.793 -1.905 0.711 1.00 3.60 H new ATOM 0 HB3 SER B 131 -28.005 -0.281 0.087 1.00 3.60 H new ATOM 0 HG SER B 131 -26.525 -1.530 -1.201 1.00 3.66 H new ATOM 1248 N ALA B 132 -28.141 -1.310 3.643 1.00 3.13 N ATOM 1249 CA ALA B 132 -28.467 -2.194 4.762 1.00 3.13 C ATOM 1250 C ALA B 132 -28.271 -3.666 4.404 1.00 2.94 C ATOM 1251 O ALA B 132 -27.645 -4.416 5.158 1.00 2.84 O ATOM 1252 CB ALA B 132 -29.894 -1.946 5.224 1.00 3.57 C ATOM 0 H ALA B 132 -28.874 -0.638 3.415 1.00 3.13 H new ATOM 0 HA ALA B 132 -27.779 -1.964 5.576 1.00 3.13 H new ATOM 0 HB1 ALA B 132 -30.127 -2.609 6.057 1.00 3.57 H new ATOM 0 HB2 ALA B 132 -29.998 -0.909 5.545 1.00 3.57 H new ATOM 0 HB3 ALA B 132 -30.582 -2.142 4.401 1.00 3.57 H new ATOM 1258 N LYS B 133 -28.795 -4.081 3.253 1.00 2.95 N ATOM 1259 CA LYS B 133 -28.658 -5.464 2.819 1.00 2.86 C ATOM 1260 C LYS B 133 -27.197 -5.819 2.580 1.00 2.52 C ATOM 1261 O LYS B 133 -26.769 -6.939 2.853 1.00 2.39 O ATOM 1262 CB LYS B 133 -29.481 -5.735 1.563 1.00 3.08 C ATOM 1263 CG LYS B 133 -30.161 -7.096 1.578 1.00 3.26 C ATOM 1264 CD LYS B 133 -31.244 -7.167 2.649 1.00 3.59 C ATOM 1265 CE LYS B 133 -31.645 -8.604 2.961 1.00 3.54 C ATOM 1266 NZ LYS B 133 -30.591 -9.330 3.726 1.00 4.27 N ATOM 0 H LYS B 133 -29.314 -3.483 2.610 1.00 2.95 H new ATOM 0 HA LYS B 133 -29.041 -6.097 3.620 1.00 2.86 H new ATOM 0 HB2 LYS B 133 -30.238 -4.958 1.457 1.00 3.08 H new ATOM 0 HB3 LYS B 133 -28.832 -5.669 0.689 1.00 3.08 H new ATOM 0 HG2 LYS B 133 -30.601 -7.295 0.601 1.00 3.26 H new ATOM 0 HG3 LYS B 133 -29.418 -7.873 1.758 1.00 3.26 H new ATOM 0 HD2 LYS B 133 -30.886 -6.685 3.559 1.00 3.59 H new ATOM 0 HD3 LYS B 133 -32.120 -6.610 2.316 1.00 3.59 H new ATOM 0 HE2 LYS B 133 -32.572 -8.604 3.534 1.00 3.54 H new ATOM 0 HE3 LYS B 133 -31.845 -9.134 2.030 1.00 3.54 H new ATOM 0 HZ1 LYS B 133 -30.958 -10.253 4.032 1.00 4.27 H new ATOM 0 HZ2 LYS B 133 -29.758 -9.473 3.120 1.00 4.27 H new ATOM 0 HZ3 LYS B 133 -30.320 -8.771 4.560 1.00 4.27 H new ATOM 1280 N THR B 134 -26.437 -4.864 2.078 1.00 2.42 N ATOM 1281 CA THR B 134 -25.021 -5.069 1.829 1.00 2.12 C ATOM 1282 C THR B 134 -24.276 -5.224 3.140 1.00 1.91 C ATOM 1283 O THR B 134 -23.380 -6.050 3.261 1.00 1.66 O ATOM 1284 CB THR B 134 -24.411 -3.924 1.040 1.00 2.15 C ATOM 1285 OG1 THR B 134 -25.191 -3.659 -0.134 1.00 2.38 O ATOM 1286 CG2 THR B 134 -22.979 -4.257 0.661 1.00 1.91 C ATOM 0 H THR B 134 -26.778 -3.934 1.833 1.00 2.42 H new ATOM 0 HA THR B 134 -24.927 -5.979 1.236 1.00 2.12 H new ATOM 0 HB THR B 134 -24.408 -3.029 1.662 1.00 2.15 H new ATOM 0 HG1 THR B 134 -25.411 -2.705 -0.172 1.00 2.38 H new ATOM 0 HG21 THR B 134 -22.551 -3.430 0.095 1.00 1.91 H new ATOM 0 HG22 THR B 134 -22.392 -4.421 1.565 1.00 1.91 H new ATOM 0 HG23 THR B 134 -22.965 -5.160 0.050 1.00 1.91 H new ATOM 1291 N ARG B 135 -24.633 -4.398 4.105 1.00 2.08 N ATOM 1292 CA ARG B 135 -24.037 -4.469 5.431 1.00 2.01 C ATOM 1293 C ARG B 135 -24.147 -5.894 5.947 1.00 1.90 C ATOM 1294 O ARG B 135 -23.176 -6.481 6.405 1.00 1.69 O ATOM 1295 CB ARG B 135 -24.739 -3.481 6.379 1.00 2.33 C ATOM 1296 CG ARG B 135 -24.447 -3.719 7.854 1.00 2.49 C ATOM 1297 CD ARG B 135 -25.507 -4.588 8.484 1.00 2.51 C ATOM 1298 NE ARG B 135 -25.167 -5.006 9.839 1.00 2.92 N ATOM 1299 CZ ARG B 135 -26.036 -5.072 10.843 1.00 3.24 C ATOM 1300 NH1 ARG B 135 -27.308 -4.730 10.665 1.00 3.30 N ATOM 1301 NH2 ARG B 135 -25.628 -5.487 12.030 1.00 3.83 N ATOM 0 H ARG B 135 -25.335 -3.666 3.997 1.00 2.08 H new ATOM 0 HA ARG B 135 -22.984 -4.192 5.381 1.00 2.01 H new ATOM 0 HB2 ARG B 135 -24.436 -2.467 6.119 1.00 2.33 H new ATOM 0 HB3 ARG B 135 -25.815 -3.543 6.218 1.00 2.33 H new ATOM 0 HG2 ARG B 135 -23.472 -4.193 7.963 1.00 2.49 H new ATOM 0 HG3 ARG B 135 -24.397 -2.764 8.377 1.00 2.49 H new ATOM 0 HD2 ARG B 135 -26.451 -4.044 8.503 1.00 2.51 H new ATOM 0 HD3 ARG B 135 -25.661 -5.472 7.864 1.00 2.51 H new ATOM 0 HE ARG B 135 -24.199 -5.265 10.029 1.00 2.92 H new ATOM 0 HH11 ARG B 135 -27.627 -4.412 9.750 1.00 3.30 H new ATOM 0 HH12 ARG B 135 -27.965 -4.785 11.444 1.00 3.30 H new ATOM 0 HH21 ARG B 135 -24.653 -5.753 12.170 1.00 3.83 H new ATOM 0 HH22 ARG B 135 -26.288 -5.541 12.806 1.00 3.83 H new ATOM 1315 N GLU B 136 -25.331 -6.453 5.787 1.00 2.09 N ATOM 1316 CA GLU B 136 -25.604 -7.812 6.214 1.00 2.13 C ATOM 1317 C GLU B 136 -24.841 -8.793 5.333 1.00 1.92 C ATOM 1318 O GLU B 136 -24.317 -9.802 5.797 1.00 1.96 O ATOM 1319 CB GLU B 136 -27.095 -8.088 6.142 1.00 2.40 C ATOM 1320 CG GLU B 136 -27.891 -7.419 7.227 1.00 2.66 C ATOM 1321 CD GLU B 136 -29.382 -7.546 7.006 1.00 2.93 C ATOM 1322 OE1 GLU B 136 -29.797 -8.431 6.222 1.00 3.37 O ATOM 1323 OE2 GLU B 136 -30.146 -6.770 7.615 1.00 3.14 O ATOM 0 H GLU B 136 -26.128 -5.981 5.359 1.00 2.09 H new ATOM 0 HA GLU B 136 -25.275 -7.937 7.246 1.00 2.13 H new ATOM 0 HB2 GLU B 136 -27.470 -7.757 5.173 1.00 2.40 H new ATOM 0 HB3 GLU B 136 -27.258 -9.164 6.196 1.00 2.40 H new ATOM 0 HG2 GLU B 136 -27.630 -7.858 8.190 1.00 2.66 H new ATOM 0 HG3 GLU B 136 -27.621 -6.364 7.274 1.00 2.66 H new ATOM 1330 N LYS B 137 -24.782 -8.448 4.057 1.00 1.78 N ATOM 1331 CA LYS B 137 -24.103 -9.232 3.030 1.00 1.68 C ATOM 1332 C LYS B 137 -22.649 -9.531 3.399 1.00 1.46 C ATOM 1333 O LYS B 137 -22.186 -10.670 3.340 1.00 1.53 O ATOM 1334 CB LYS B 137 -24.122 -8.434 1.727 1.00 1.70 C ATOM 1335 CG LYS B 137 -23.438 -9.139 0.583 1.00 2.12 C ATOM 1336 CD LYS B 137 -22.897 -8.150 -0.435 1.00 2.24 C ATOM 1337 CE LYS B 137 -24.005 -7.496 -1.240 1.00 2.51 C ATOM 1338 NZ LYS B 137 -24.884 -8.494 -1.908 1.00 3.11 N ATOM 0 H LYS B 137 -25.213 -7.597 3.695 1.00 1.78 H new ATOM 0 HA LYS B 137 -24.624 -10.184 2.928 1.00 1.68 H new ATOM 0 HB2 LYS B 137 -25.156 -8.228 1.451 1.00 1.70 H new ATOM 0 HB3 LYS B 137 -23.638 -7.471 1.892 1.00 1.70 H new ATOM 0 HG2 LYS B 137 -22.622 -9.751 0.967 1.00 2.12 H new ATOM 0 HG3 LYS B 137 -24.142 -9.815 0.097 1.00 2.12 H new ATOM 0 HD2 LYS B 137 -22.320 -7.381 0.079 1.00 2.24 H new ATOM 0 HD3 LYS B 137 -22.213 -8.664 -1.111 1.00 2.24 H new ATOM 0 HE2 LYS B 137 -24.606 -6.868 -0.583 1.00 2.51 H new ATOM 0 HE3 LYS B 137 -23.566 -6.841 -1.992 1.00 2.51 H new ATOM 0 HZ1 LYS B 137 -25.406 -8.034 -2.681 1.00 3.11 H new ATOM 0 HZ2 LYS B 137 -24.303 -9.266 -2.293 1.00 3.11 H new ATOM 0 HZ3 LYS B 137 -25.558 -8.880 -1.217 1.00 3.11 H new ATOM 1352 N VAL B 138 -21.954 -8.484 3.785 1.00 1.29 N ATOM 1353 CA VAL B 138 -20.556 -8.595 4.134 1.00 1.09 C ATOM 1354 C VAL B 138 -20.363 -9.060 5.579 1.00 1.21 C ATOM 1355 O VAL B 138 -19.394 -9.754 5.868 1.00 1.25 O ATOM 1356 CB VAL B 138 -19.757 -7.304 3.858 1.00 0.95 C ATOM 1357 CG1 VAL B 138 -20.485 -6.400 2.896 1.00 1.45 C ATOM 1358 CG2 VAL B 138 -19.423 -6.566 5.131 1.00 1.71 C ATOM 0 H VAL B 138 -22.337 -7.542 3.865 1.00 1.29 H new ATOM 0 HA VAL B 138 -20.149 -9.362 3.475 1.00 1.09 H new ATOM 0 HB VAL B 138 -18.818 -7.608 3.395 1.00 0.95 H new ATOM 0 HG11 VAL B 138 -19.894 -5.500 2.724 1.00 1.45 H new ATOM 0 HG12 VAL B 138 -20.636 -6.921 1.951 1.00 1.45 H new ATOM 0 HG13 VAL B 138 -21.452 -6.124 3.317 1.00 1.45 H new ATOM 0 HG21 VAL B 138 -18.860 -5.664 4.892 1.00 1.71 H new ATOM 0 HG22 VAL B 138 -20.344 -6.293 5.646 1.00 1.71 H new ATOM 0 HG23 VAL B 138 -18.823 -7.207 5.776 1.00 1.71 H new ATOM 1362 N GLU B 139 -21.270 -8.686 6.490 1.00 1.39 N ATOM 1363 CA GLU B 139 -21.162 -9.104 7.864 1.00 1.58 C ATOM 1364 C GLU B 139 -21.303 -10.599 7.942 1.00 1.75 C ATOM 1365 O GLU B 139 -20.594 -11.267 8.690 1.00 1.88 O ATOM 1366 CB GLU B 139 -22.228 -8.417 8.696 1.00 1.81 C ATOM 1367 CG GLU B 139 -21.917 -6.960 8.963 1.00 2.17 C ATOM 1368 CD GLU B 139 -21.929 -6.610 10.435 1.00 2.73 C ATOM 1369 OE1 GLU B 139 -20.920 -6.866 11.123 1.00 3.10 O ATOM 1370 OE2 GLU B 139 -22.947 -6.067 10.913 1.00 3.05 O ATOM 0 H GLU B 139 -22.078 -8.097 6.287 1.00 1.39 H new ATOM 0 HA GLU B 139 -20.186 -8.823 8.260 1.00 1.58 H new ATOM 0 HB2 GLU B 139 -23.187 -8.491 8.182 1.00 1.81 H new ATOM 0 HB3 GLU B 139 -22.334 -8.941 9.646 1.00 1.81 H new ATOM 0 HG2 GLU B 139 -20.938 -6.722 8.547 1.00 2.17 H new ATOM 0 HG3 GLU B 139 -22.645 -6.338 8.442 1.00 2.17 H new ATOM 1377 N ALA B 140 -22.220 -11.119 7.147 1.00 1.81 N ATOM 1378 CA ALA B 140 -22.434 -12.548 7.089 1.00 2.02 C ATOM 1379 C ALA B 140 -21.176 -13.224 6.577 1.00 1.95 C ATOM 1380 O ALA B 140 -20.774 -14.282 7.055 1.00 2.18 O ATOM 1381 CB ALA B 140 -23.623 -12.886 6.204 1.00 2.15 C ATOM 0 H ALA B 140 -22.826 -10.572 6.535 1.00 1.81 H new ATOM 0 HA ALA B 140 -22.656 -12.913 8.092 1.00 2.02 H new ATOM 0 HB1 ALA B 140 -23.762 -13.967 6.178 1.00 2.15 H new ATOM 0 HB2 ALA B 140 -24.520 -12.415 6.605 1.00 2.15 H new ATOM 0 HB3 ALA B 140 -23.441 -12.519 5.194 1.00 2.15 H new ATOM 1387 N ALA B 141 -20.554 -12.577 5.601 1.00 1.68 N ATOM 1388 CA ALA B 141 -19.331 -13.063 5.018 1.00 1.65 C ATOM 1389 C ALA B 141 -18.244 -13.056 6.074 1.00 1.66 C ATOM 1390 O ALA B 141 -17.556 -14.053 6.281 1.00 1.90 O ATOM 1391 CB ALA B 141 -18.943 -12.206 3.822 1.00 1.47 C ATOM 0 H ALA B 141 -20.890 -11.702 5.198 1.00 1.68 H new ATOM 0 HA ALA B 141 -19.469 -14.084 4.662 1.00 1.65 H new ATOM 0 HB1 ALA B 141 -18.016 -12.583 3.389 1.00 1.47 H new ATOM 0 HB2 ALA B 141 -19.735 -12.245 3.074 1.00 1.47 H new ATOM 0 HB3 ALA B 141 -18.799 -11.175 4.145 1.00 1.47 H new ATOM 1397 N MET B 142 -18.146 -11.929 6.773 1.00 1.50 N ATOM 1398 CA MET B 142 -17.170 -11.754 7.823 1.00 1.61 C ATOM 1399 C MET B 142 -17.311 -12.851 8.853 1.00 1.93 C ATOM 1400 O MET B 142 -16.338 -13.407 9.342 1.00 2.11 O ATOM 1401 CB MET B 142 -17.387 -10.431 8.549 1.00 1.51 C ATOM 1402 CG MET B 142 -17.068 -9.178 7.752 1.00 1.53 C ATOM 1403 SD MET B 142 -16.810 -7.749 8.830 1.00 2.27 S ATOM 1404 CE MET B 142 -17.280 -6.404 7.750 1.00 2.42 C ATOM 0 H MET B 142 -18.744 -11.117 6.621 1.00 1.50 H new ATOM 0 HA MET B 142 -16.185 -11.776 7.357 1.00 1.61 H new ATOM 0 HB2 MET B 142 -18.428 -10.380 8.868 1.00 1.51 H new ATOM 0 HB3 MET B 142 -16.776 -10.430 9.452 1.00 1.51 H new ATOM 0 HG2 MET B 142 -16.175 -9.347 7.151 1.00 1.53 H new ATOM 0 HG3 MET B 142 -17.884 -8.969 7.060 1.00 1.53 H new ATOM 0 HE1 MET B 142 -16.943 -5.460 8.177 1.00 2.42 H new ATOM 0 HE2 MET B 142 -16.819 -6.545 6.772 1.00 2.42 H new ATOM 0 HE3 MET B 142 -18.364 -6.387 7.641 1.00 2.42 H new ATOM 1414 N ALA B 143 -18.552 -13.145 9.144 1.00 2.04 N ATOM 1415 CA ALA B 143 -18.931 -14.132 10.147 1.00 2.38 C ATOM 1416 C ALA B 143 -18.470 -15.544 9.826 1.00 2.59 C ATOM 1417 O ALA B 143 -17.835 -16.194 10.656 1.00 2.89 O ATOM 1418 CB ALA B 143 -20.441 -14.119 10.334 1.00 2.49 C ATOM 0 H ALA B 143 -19.349 -12.702 8.687 1.00 2.04 H new ATOM 0 HA ALA B 143 -18.423 -13.844 11.067 1.00 2.38 H new ATOM 0 HB1 ALA B 143 -20.721 -14.858 11.085 1.00 2.49 H new ATOM 0 HB2 ALA B 143 -20.758 -13.129 10.663 1.00 2.49 H new ATOM 0 HB3 ALA B 143 -20.927 -14.360 9.388 1.00 2.49 H new ATOM 1424 N GLU B 144 -18.781 -16.010 8.629 1.00 2.46 N ATOM 1425 CA GLU B 144 -18.441 -17.361 8.221 1.00 2.69 C ATOM 1426 C GLU B 144 -16.955 -17.609 8.285 1.00 2.75 C ATOM 1427 O GLU B 144 -16.488 -18.604 8.839 1.00 3.01 O ATOM 1428 CB GLU B 144 -18.921 -17.600 6.816 1.00 2.61 C ATOM 1429 CG GLU B 144 -20.384 -17.295 6.643 1.00 2.71 C ATOM 1430 CD GLU B 144 -21.145 -18.391 5.926 1.00 3.16 C ATOM 1431 OE1 GLU B 144 -21.518 -19.383 6.583 1.00 3.49 O ATOM 1432 OE2 GLU B 144 -21.389 -18.265 4.706 1.00 3.53 O ATOM 0 H GLU B 144 -19.272 -15.468 7.918 1.00 2.46 H new ATOM 0 HA GLU B 144 -18.930 -18.048 8.912 1.00 2.69 H new ATOM 0 HB2 GLU B 144 -18.342 -16.984 6.129 1.00 2.61 H new ATOM 0 HB3 GLU B 144 -18.736 -18.639 6.545 1.00 2.61 H new ATOM 0 HG2 GLU B 144 -20.832 -17.133 7.623 1.00 2.71 H new ATOM 0 HG3 GLU B 144 -20.490 -16.364 6.086 1.00 2.71 H new ATOM 1439 N LEU B 145 -16.229 -16.686 7.711 1.00 2.55 N ATOM 1440 CA LEU B 145 -14.786 -16.755 7.650 1.00 2.61 C ATOM 1441 C LEU B 145 -14.128 -16.374 8.977 1.00 2.66 C ATOM 1442 O LEU B 145 -12.992 -16.766 9.242 1.00 2.82 O ATOM 1443 CB LEU B 145 -14.305 -15.801 6.567 1.00 2.39 C ATOM 1444 CG LEU B 145 -15.174 -15.739 5.310 1.00 2.32 C ATOM 1445 CD1 LEU B 145 -15.102 -14.364 4.667 1.00 2.67 C ATOM 1446 CD2 LEU B 145 -14.732 -16.789 4.321 1.00 2.64 C ATOM 0 H LEU B 145 -16.623 -15.856 7.268 1.00 2.55 H new ATOM 0 HA LEU B 145 -14.506 -17.785 7.429 1.00 2.61 H new ATOM 0 HB2 LEU B 145 -14.240 -14.799 6.992 1.00 2.39 H new ATOM 0 HB3 LEU B 145 -13.295 -16.090 6.275 1.00 2.39 H new ATOM 0 HG LEU B 145 -16.207 -15.930 5.602 1.00 2.32 H new ATOM 0 HD11 LEU B 145 -15.729 -14.346 3.775 1.00 2.67 H new ATOM 0 HD12 LEU B 145 -15.455 -13.613 5.374 1.00 2.67 H new ATOM 0 HD13 LEU B 145 -14.071 -14.145 4.390 1.00 2.67 H new ATOM 0 HD21 LEU B 145 -15.358 -16.736 3.430 1.00 2.64 H new ATOM 0 HD22 LEU B 145 -13.692 -16.614 4.045 1.00 2.64 H new ATOM 0 HD23 LEU B 145 -14.827 -17.777 4.772 1.00 2.64 H new ATOM 1452 N ASN B 146 -14.859 -15.625 9.798 1.00 2.60 N ATOM 1453 CA ASN B 146 -14.376 -15.124 11.077 1.00 2.70 C ATOM 1454 C ASN B 146 -13.361 -14.019 10.812 1.00 2.57 C ATOM 1455 O ASN B 146 -12.172 -14.129 11.119 1.00 2.86 O ATOM 1456 CB ASN B 146 -13.799 -16.241 11.919 1.00 3.12 C ATOM 1457 CG ASN B 146 -13.636 -15.867 13.376 1.00 3.19 C ATOM 1458 OD1 ASN B 146 -13.191 -14.769 13.718 1.00 3.34 O ATOM 1459 ND2 ASN B 146 -14.016 -16.779 14.246 1.00 3.49 N ATOM 0 H ASN B 146 -15.817 -15.346 9.588 1.00 2.60 H new ATOM 0 HA ASN B 146 -15.205 -14.710 11.651 1.00 2.70 H new ATOM 0 HB2 ASN B 146 -14.447 -17.114 11.845 1.00 3.12 H new ATOM 0 HB3 ASN B 146 -12.829 -16.529 11.514 1.00 3.12 H new ATOM 0 HD21 ASN B 146 -13.948 -16.590 15.246 1.00 3.49 H new ATOM 0 HD22 ASN B 146 -14.379 -17.675 13.920 1.00 3.49 H new ATOM 1466 N TYR B 147 -13.866 -12.967 10.190 1.00 2.19 N ATOM 1467 CA TYR B 147 -13.072 -11.814 9.813 1.00 2.03 C ATOM 1468 C TYR B 147 -12.641 -10.972 11.006 1.00 2.31 C ATOM 1469 O TYR B 147 -13.455 -10.581 11.842 1.00 2.53 O ATOM 1470 CB TYR B 147 -13.860 -10.921 8.854 1.00 1.65 C ATOM 1471 CG TYR B 147 -13.035 -9.780 8.282 1.00 1.50 C ATOM 1472 CD1 TYR B 147 -11.655 -9.888 8.147 1.00 1.57 C ATOM 1473 CD2 TYR B 147 -13.633 -8.590 7.890 1.00 1.48 C ATOM 1474 CE1 TYR B 147 -10.905 -8.849 7.644 1.00 1.55 C ATOM 1475 CE2 TYR B 147 -12.885 -7.552 7.378 1.00 1.52 C ATOM 1476 CZ TYR B 147 -11.524 -7.688 7.262 1.00 1.52 C ATOM 1477 OH TYR B 147 -10.780 -6.661 6.746 1.00 1.65 O ATOM 0 H TYR B 147 -14.849 -12.890 9.931 1.00 2.19 H new ATOM 0 HA TYR B 147 -12.175 -12.207 9.334 1.00 2.03 H new ATOM 0 HB2 TYR B 147 -14.244 -11.529 8.035 1.00 1.65 H new ATOM 0 HB3 TYR B 147 -14.723 -10.510 9.378 1.00 1.65 H new ATOM 0 HD1 TYR B 147 -11.163 -10.803 8.442 1.00 1.57 H new ATOM 0 HD2 TYR B 147 -14.702 -8.476 7.988 1.00 1.48 H new ATOM 0 HE1 TYR B 147 -9.834 -8.949 7.551 1.00 1.55 H new ATOM 0 HE2 TYR B 147 -13.367 -6.636 7.070 1.00 1.52 H new ATOM 0 HH TYR B 147 -9.837 -6.926 6.709 1.00 1.65 H new ATOM 1487 N ILE B 148 -11.347 -10.692 11.058 1.00 2.42 N ATOM 1488 CA ILE B 148 -10.761 -9.858 12.092 1.00 2.80 C ATOM 1489 C ILE B 148 -9.822 -8.854 11.425 1.00 2.72 C ATOM 1490 O ILE B 148 -8.800 -9.244 10.864 1.00 2.76 O ATOM 1491 CB ILE B 148 -9.975 -10.694 13.123 1.00 3.30 C ATOM 1492 CG1 ILE B 148 -10.745 -11.993 13.445 1.00 3.52 C ATOM 1493 CG2 ILE B 148 -9.710 -9.870 14.379 1.00 3.81 C ATOM 1494 CD1 ILE B 148 -11.317 -12.070 14.851 1.00 3.83 C ATOM 0 H ILE B 148 -10.671 -11.041 10.378 1.00 2.42 H new ATOM 0 HA ILE B 148 -11.562 -9.347 12.626 1.00 2.80 H new ATOM 0 HB ILE B 148 -9.009 -10.973 12.702 1.00 3.30 H new ATOM 0 HG12 ILE B 148 -11.561 -12.100 12.731 1.00 3.52 H new ATOM 0 HG13 ILE B 148 -10.076 -12.841 13.294 1.00 3.52 H new ATOM 0 HG21 ILE B 148 -9.155 -10.472 15.098 1.00 3.81 H new ATOM 0 HG22 ILE B 148 -9.127 -8.987 14.118 1.00 3.81 H new ATOM 0 HG23 ILE B 148 -10.659 -9.562 14.819 1.00 3.81 H new ATOM 0 HD11 ILE B 148 -11.839 -13.018 14.980 1.00 3.83 H new ATOM 0 HD12 ILE B 148 -10.507 -12.000 15.578 1.00 3.83 H new ATOM 0 HD13 ILE B 148 -12.015 -11.248 15.005 1.00 3.83 H new ATOM 1498 N PRO B 149 -10.167 -7.556 11.441 1.00 2.88 N ATOM 1499 CA PRO B 149 -9.342 -6.517 10.813 1.00 3.03 C ATOM 1500 C PRO B 149 -8.039 -6.277 11.561 1.00 2.77 C ATOM 1501 O PRO B 149 -7.859 -6.754 12.684 1.00 3.05 O ATOM 1502 CB PRO B 149 -10.225 -5.271 10.873 1.00 3.57 C ATOM 1503 CG PRO B 149 -11.129 -5.509 12.029 1.00 3.57 C ATOM 1504 CD PRO B 149 -11.372 -6.995 12.074 1.00 3.26 C ATOM 0 HA PRO B 149 -9.043 -6.796 9.803 1.00 3.03 H new ATOM 0 HB2 PRO B 149 -9.629 -4.369 11.014 1.00 3.57 H new ATOM 0 HB3 PRO B 149 -10.789 -5.139 9.949 1.00 3.57 H new ATOM 0 HG2 PRO B 149 -10.675 -5.161 12.957 1.00 3.57 H new ATOM 0 HG3 PRO B 149 -12.066 -4.965 11.909 1.00 3.57 H new ATOM 0 HD2 PRO B 149 -11.492 -7.352 13.097 1.00 3.26 H new ATOM 0 HD3 PRO B 149 -12.276 -7.271 11.532 1.00 3.26 H new ATOM 1512 N ASN B 150 -7.131 -5.524 10.950 1.00 2.62 N ATOM 1513 CA ASN B 150 -5.854 -5.213 11.551 1.00 2.54 C ATOM 1514 C ASN B 150 -5.832 -3.721 11.848 1.00 2.42 C ATOM 1515 O ASN B 150 -5.983 -2.899 10.943 1.00 2.60 O ATOM 1516 CB ASN B 150 -4.722 -5.596 10.598 1.00 2.56 C ATOM 1517 CG ASN B 150 -4.214 -6.992 10.839 1.00 3.19 C ATOM 1518 OD1 ASN B 150 -4.043 -7.421 11.978 1.00 3.68 O ATOM 1519 ND2 ASN B 150 -3.980 -7.713 9.763 1.00 3.53 N ATOM 0 H ASN B 150 -7.266 -5.116 10.025 1.00 2.62 H new ATOM 0 HA ASN B 150 -5.713 -5.776 12.474 1.00 2.54 H new ATOM 0 HB2 ASN B 150 -5.073 -5.513 9.570 1.00 2.56 H new ATOM 0 HB3 ASN B 150 -3.900 -4.889 10.712 1.00 2.56 H new ATOM 0 HD21 ASN B 150 -3.642 -8.671 9.855 1.00 3.53 H new ATOM 0 HD22 ASN B 150 -4.137 -7.314 8.838 1.00 3.53 H new ATOM 1526 N ARG B 151 -5.630 -3.384 13.107 1.00 2.38 N ATOM 1527 CA ARG B 151 -5.658 -1.990 13.563 1.00 2.38 C ATOM 1528 C ARG B 151 -4.663 -1.082 12.843 1.00 2.32 C ATOM 1529 O ARG B 151 -4.914 0.113 12.712 1.00 2.27 O ATOM 1530 CB ARG B 151 -5.421 -1.920 15.068 1.00 2.76 C ATOM 1531 CG ARG B 151 -6.168 -0.783 15.752 1.00 2.95 C ATOM 1532 CD ARG B 151 -7.662 -1.008 15.732 1.00 3.01 C ATOM 1533 NE ARG B 151 -8.419 0.240 15.857 1.00 3.24 N ATOM 1534 CZ ARG B 151 -9.632 0.434 15.330 1.00 3.63 C ATOM 1535 NH1 ARG B 151 -10.217 -0.522 14.617 1.00 3.98 N ATOM 1536 NH2 ARG B 151 -10.255 1.591 15.510 1.00 4.07 N ATOM 0 H ARG B 151 -5.442 -4.059 13.848 1.00 2.38 H new ATOM 0 HA ARG B 151 -6.652 -1.617 13.317 1.00 2.38 H new ATOM 0 HB2 ARG B 151 -5.723 -2.865 15.519 1.00 2.76 H new ATOM 0 HB3 ARG B 151 -4.353 -1.805 15.254 1.00 2.76 H new ATOM 0 HG2 ARG B 151 -5.827 -0.691 16.783 1.00 2.95 H new ATOM 0 HG3 ARG B 151 -5.934 0.158 15.254 1.00 2.95 H new ATOM 0 HD2 ARG B 151 -7.939 -1.506 14.803 1.00 3.01 H new ATOM 0 HD3 ARG B 151 -7.936 -1.679 16.546 1.00 3.01 H new ATOM 0 HE ARG B 151 -7.995 1.008 16.378 1.00 3.24 H new ATOM 0 HH11 ARG B 151 -9.740 -1.412 14.469 1.00 3.98 H new ATOM 0 HH12 ARG B 151 -11.143 -0.367 14.218 1.00 3.98 H new ATOM 0 HH21 ARG B 151 -9.808 2.332 16.050 1.00 4.07 H new ATOM 0 HH22 ARG B 151 -11.181 1.740 15.108 1.00 4.07 H new ATOM 1550 N CYS B 152 -3.571 -1.639 12.345 1.00 2.48 N ATOM 1551 CA CYS B 152 -2.550 -0.842 11.670 1.00 2.63 C ATOM 1552 C CYS B 152 -3.036 -0.445 10.303 1.00 2.50 C ATOM 1553 O CYS B 152 -3.016 0.724 9.947 1.00 2.67 O ATOM 1554 CB CYS B 152 -1.245 -1.620 11.554 1.00 2.93 C ATOM 1555 SG CYS B 152 0.257 -0.589 11.461 1.00 3.23 S ATOM 0 H CYS B 152 -3.366 -2.637 12.393 1.00 2.48 H new ATOM 0 HA CYS B 152 -2.363 0.054 12.261 1.00 2.63 H new ATOM 0 HB2 CYS B 152 -1.158 -2.286 12.412 1.00 2.93 H new ATOM 0 HB3 CYS B 152 -1.292 -2.249 10.665 1.00 2.93 H new ATOM 1560 N ALA B 153 -3.433 -1.430 9.531 1.00 2.32 N ATOM 1561 CA ALA B 153 -3.962 -1.182 8.206 1.00 2.32 C ATOM 1562 C ALA B 153 -5.075 -0.142 8.268 1.00 2.21 C ATOM 1563 O ALA B 153 -5.179 0.721 7.403 1.00 2.45 O ATOM 1564 CB ALA B 153 -4.465 -2.474 7.599 1.00 2.28 C ATOM 0 H ALA B 153 -3.400 -2.414 9.797 1.00 2.32 H new ATOM 0 HA ALA B 153 -3.166 -0.791 7.573 1.00 2.32 H new ATOM 0 HB1 ALA B 153 -4.861 -2.278 6.603 1.00 2.28 H new ATOM 0 HB2 ALA B 153 -3.644 -3.187 7.529 1.00 2.28 H new ATOM 0 HB3 ALA B 153 -5.253 -2.889 8.228 1.00 2.28 H new ATOM 1570 N GLN B 154 -5.881 -0.224 9.325 1.00 2.00 N ATOM 1571 CA GLN B 154 -6.968 0.705 9.550 1.00 2.06 C ATOM 1572 C GLN B 154 -6.410 2.092 9.862 1.00 2.35 C ATOM 1573 O GLN B 154 -6.899 3.104 9.363 1.00 2.61 O ATOM 1574 CB GLN B 154 -7.813 0.203 10.711 1.00 2.05 C ATOM 1575 CG GLN B 154 -8.425 -1.159 10.447 1.00 1.74 C ATOM 1576 CD GLN B 154 -9.580 -1.457 11.352 1.00 1.62 C ATOM 1577 OE1 GLN B 154 -9.424 -2.065 12.410 1.00 2.13 O ATOM 1578 NE2 GLN B 154 -10.742 -1.034 10.934 1.00 1.56 N ATOM 0 H GLN B 154 -5.792 -0.940 10.046 1.00 2.00 H new ATOM 0 HA GLN B 154 -7.586 0.775 8.655 1.00 2.06 H new ATOM 0 HB2 GLN B 154 -7.196 0.151 11.608 1.00 2.05 H new ATOM 0 HB3 GLN B 154 -8.608 0.921 10.913 1.00 2.05 H new ATOM 0 HG2 GLN B 154 -8.758 -1.209 9.410 1.00 1.74 H new ATOM 0 HG3 GLN B 154 -7.662 -1.927 10.573 1.00 1.74 H new ATOM 0 HE21 GLN B 154 -10.814 -0.534 10.048 1.00 1.56 H new ATOM 0 HE22 GLN B 154 -11.578 -1.203 11.494 1.00 1.56 H new ATOM 1585 N GLN B 155 -5.376 2.112 10.707 1.00 2.42 N ATOM 1586 CA GLN B 155 -4.720 3.348 11.104 1.00 2.79 C ATOM 1587 C GLN B 155 -4.061 4.019 9.907 1.00 3.09 C ATOM 1588 O GLN B 155 -4.262 5.210 9.660 1.00 3.45 O ATOM 1589 CB GLN B 155 -3.675 3.067 12.181 1.00 2.96 C ATOM 1590 CG GLN B 155 -4.238 2.910 13.585 1.00 2.89 C ATOM 1591 CD GLN B 155 -5.639 3.460 13.738 1.00 3.39 C ATOM 1592 OE1 GLN B 155 -5.840 4.631 14.067 1.00 3.95 O ATOM 1593 NE2 GLN B 155 -6.614 2.603 13.500 1.00 3.50 N ATOM 0 H GLN B 155 -4.976 1.274 11.130 1.00 2.42 H new ATOM 0 HA GLN B 155 -5.477 4.022 11.506 1.00 2.79 H new ATOM 0 HB2 GLN B 155 -3.135 2.158 11.916 1.00 2.96 H new ATOM 0 HB3 GLN B 155 -2.948 3.879 12.184 1.00 2.96 H new ATOM 0 HG2 GLN B 155 -4.240 1.853 13.851 1.00 2.89 H new ATOM 0 HG3 GLN B 155 -3.579 3.415 14.291 1.00 2.89 H new ATOM 0 HE21 GLN B 155 -6.395 1.644 13.230 1.00 3.50 H new ATOM 0 HE22 GLN B 155 -7.586 2.900 13.586 1.00 3.50 H new ATOM 1600 N LEU B 156 -3.267 3.245 9.182 1.00 3.06 N ATOM 1601 CA LEU B 156 -2.559 3.733 8.009 1.00 3.49 C ATOM 1602 C LEU B 156 -3.522 4.209 6.920 1.00 3.68 C ATOM 1603 O LEU B 156 -3.513 5.374 6.526 1.00 4.13 O ATOM 1604 CB LEU B 156 -1.692 2.589 7.470 1.00 3.53 C ATOM 1605 CG LEU B 156 -0.500 3.004 6.611 1.00 4.11 C ATOM 1606 CD1 LEU B 156 0.311 4.041 7.341 1.00 4.43 C ATOM 1607 CD2 LEU B 156 0.366 1.801 6.290 1.00 4.41 C ATOM 0 H LEU B 156 -3.096 2.261 9.391 1.00 3.06 H new ATOM 0 HA LEU B 156 -1.947 4.589 8.294 1.00 3.49 H new ATOM 0 HB2 LEU B 156 -1.322 2.010 8.316 1.00 3.53 H new ATOM 0 HB3 LEU B 156 -2.325 1.925 6.882 1.00 3.53 H new ATOM 0 HG LEU B 156 -0.868 3.425 5.675 1.00 4.11 H new ATOM 0 HD11 LEU B 156 1.162 4.336 6.727 1.00 4.43 H new ATOM 0 HD12 LEU B 156 -0.311 4.913 7.543 1.00 4.43 H new ATOM 0 HD13 LEU B 156 0.670 3.625 8.282 1.00 4.43 H new ATOM 0 HD21 LEU B 156 1.211 2.114 5.677 1.00 4.41 H new ATOM 0 HD22 LEU B 156 0.733 1.360 7.216 1.00 4.41 H new ATOM 0 HD23 LEU B 156 -0.223 1.063 5.745 1.00 4.41 H new ATOM 1613 N ALA B 157 -4.345 3.286 6.451 1.00 3.42 N ATOM 1614 CA ALA B 157 -5.337 3.583 5.409 1.00 3.67 C ATOM 1615 C ALA B 157 -6.319 4.670 5.842 1.00 3.76 C ATOM 1616 O ALA B 157 -6.888 5.375 5.006 1.00 4.19 O ATOM 1617 CB ALA B 157 -6.087 2.328 4.996 1.00 3.75 C ATOM 0 H ALA B 157 -4.352 2.318 6.772 1.00 3.42 H new ATOM 0 HA ALA B 157 -4.786 3.961 4.548 1.00 3.67 H new ATOM 0 HB1 ALA B 157 -6.815 2.577 4.224 1.00 3.75 H new ATOM 0 HB2 ALA B 157 -5.381 1.594 4.607 1.00 3.75 H new ATOM 0 HB3 ALA B 157 -6.604 1.912 5.861 1.00 3.75 H new ATOM 1623 N GLY B 158 -6.533 4.794 7.143 1.00 3.59 N ATOM 1624 CA GLY B 158 -7.425 5.807 7.656 1.00 3.97 C ATOM 1625 C GLY B 158 -6.743 7.154 7.790 1.00 4.36 C ATOM 1626 O GLY B 158 -7.350 8.134 8.222 1.00 4.91 O ATOM 0 H GLY B 158 -6.101 4.206 7.855 1.00 3.59 H new ATOM 0 HA2 GLY B 158 -8.285 5.901 6.993 1.00 3.97 H new ATOM 0 HA3 GLY B 158 -7.805 5.495 8.629 1.00 3.97 H new ATOM 1630 N LYS B 159 -5.483 7.202 7.408 1.00 4.48 N ATOM 1631 CA LYS B 159 -4.705 8.418 7.488 1.00 5.33 C ATOM 1632 C LYS B 159 -4.312 8.902 6.088 1.00 5.77 C ATOM 1633 O LYS B 159 -3.171 9.303 5.854 1.00 6.56 O ATOM 1634 CB LYS B 159 -3.465 8.168 8.339 1.00 5.95 C ATOM 1635 CG LYS B 159 -2.795 9.435 8.843 1.00 7.06 C ATOM 1636 CD LYS B 159 -1.322 9.218 9.124 1.00 7.88 C ATOM 1637 CE LYS B 159 -0.540 9.116 7.829 1.00 8.15 C ATOM 1638 NZ LYS B 159 -0.753 10.300 6.955 1.00 8.98 N ATOM 0 H LYS B 159 -4.972 6.402 7.035 1.00 4.48 H new ATOM 0 HA LYS B 159 -5.307 9.199 7.953 1.00 5.33 H new ATOM 0 HB2 LYS B 159 -3.742 7.551 9.194 1.00 5.95 H new ATOM 0 HB3 LYS B 159 -2.745 7.597 7.754 1.00 5.95 H new ATOM 0 HG2 LYS B 159 -2.911 10.227 8.103 1.00 7.06 H new ATOM 0 HG3 LYS B 159 -3.293 9.773 9.752 1.00 7.06 H new ATOM 0 HD2 LYS B 159 -0.936 10.042 9.724 1.00 7.88 H new ATOM 0 HD3 LYS B 159 -1.188 8.308 9.708 1.00 7.88 H new ATOM 0 HE2 LYS B 159 0.522 9.018 8.054 1.00 8.15 H new ATOM 0 HE3 LYS B 159 -0.838 8.213 7.296 1.00 8.15 H new ATOM 0 HZ1 LYS B 159 0.064 10.416 6.323 1.00 8.98 H new ATOM 0 HZ2 LYS B 159 -1.613 10.162 6.387 1.00 8.98 H new ATOM 0 HZ3 LYS B 159 -0.859 11.151 7.543 1.00 8.98 H new