USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=28 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 109:sc= 1.26 USER MOD Set 2.1: B 121 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 125 ASN : amide:sc= 0.969 K(o=0.97,f=-0.024) USER MOD Set 3.1: B 116 SER OG : rot -43:sc=-0.00449 USER MOD Set 3.2: B 119 THR OG1 : rot -120:sc= -0.734 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 1.16 USER MOD Set 4.2: A 34 THR OG1 : rot 118:sc= 1.14 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 ASN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Set 6.1: A 16 SER OG : rot -38:sc= 0.172 USER MOD Set 6.2: A 19 THR OG1 : rot -110:sc= -1.47! USER MOD Single : A 5 THR OG1 : rot -1:sc= 0.758 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -158:sc= 1.28 USER MOD Single : A 26 GLN : amide:sc= -0.614 X(o=-0.61,f=-0.7) USER MOD Single : A 28 SER OG : rot 53:sc= 1.23 USER MOD Single : A 29 HIS : no HD1:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.12) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= -0.0965 (180deg=-0.659) USER MOD Single : A 42 MET CE :methyl -176:sc= -2.7 (180deg=-2.75) USER MOD Single : A 46 ASN : amide:sc= -0.0604 X(o=-0.06,f=-0.22) USER MOD Single : A 47 TYR OH : rot 0:sc= -0.767 USER MOD Single : A 50 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.6!) USER MOD Single : A 54 GLN : amide:sc= 0.774 K(o=0.77,f=-6.6!) USER MOD Single : A 55 GLN : amide:sc= -0.847! C(o=-0.85!,f=-0.76!) USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 0.198 (180deg=-0.319) USER MOD Single : B 105 THR OG1 : rot -10:sc= 0.241 USER MOD Single : B 107 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot -160:sc= 1.23 USER MOD Single : B 126 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.63) USER MOD Single : B 128 SER OG : rot 60:sc= 1.14 USER MOD Single : B 129 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : B 133 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1) USER MOD Single : B 137 LYS NZ :NH3+ -163:sc= -0.0761 (180deg=-0.365) USER MOD Single : B 142 MET CE :methyl -173:sc= -2.96 (180deg=-3.03) USER MOD Single : B 146 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.47) USER MOD Single : B 147 TYR OH : rot 0:sc= -0.72 USER MOD Single : B 150 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.2!) USER MOD Single : B 154 GLN : amide:sc=-0.00654 K(o=-0.0065,f=-1.8!) USER MOD Single : B 155 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.73) USER MOD Single : B 159 LYS NZ :NH3+ 152:sc= 0.0502 (180deg=-0.17) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.282 14.294 5.419 1.00 10.04 N ATOM 43 CA PRO A 3 5.479 14.947 5.954 1.00 9.38 C ATOM 44 C PRO A 3 6.740 14.395 5.311 1.00 8.65 C ATOM 45 O PRO A 3 6.691 13.850 4.200 1.00 8.77 O ATOM 46 CB PRO A 3 5.461 14.588 7.447 1.00 8.67 C ATOM 47 CG PRO A 3 4.137 13.941 7.700 1.00 9.28 C ATOM 48 CD PRO A 3 3.702 13.358 6.391 1.00 9.72 C ATOM 0 HA PRO A 3 5.478 16.020 5.765 1.00 9.38 H new ATOM 0 HB2 PRO A 3 6.279 13.912 7.696 1.00 8.67 H new ATOM 0 HB3 PRO A 3 5.584 15.478 8.064 1.00 8.67 H new ATOM 0 HG2 PRO A 3 4.221 13.167 8.463 1.00 9.28 H new ATOM 0 HG3 PRO A 3 3.411 14.668 8.063 1.00 9.28 H new ATOM 0 HD2 PRO A 3 4.078 12.344 6.253 1.00 9.72 H new ATOM 0 HD3 PRO A 3 2.616 13.309 6.309 1.00 9.72 H new ATOM 56 N VAL A 4 7.875 14.553 5.988 1.00 8.02 N ATOM 57 CA VAL A 4 9.115 14.005 5.480 1.00 7.33 C ATOM 58 C VAL A 4 8.972 12.509 5.455 1.00 6.03 C ATOM 59 O VAL A 4 8.383 11.921 6.364 1.00 5.70 O ATOM 60 CB VAL A 4 10.340 14.337 6.333 1.00 7.39 C ATOM 61 CG1 VAL A 4 11.613 14.027 5.565 1.00 7.04 C ATOM 62 CG2 VAL A 4 10.318 15.780 6.793 1.00 7.42 C ATOM 0 H VAL A 4 7.955 15.049 6.876 1.00 8.02 H new ATOM 0 HA VAL A 4 9.281 14.445 4.497 1.00 7.33 H new ATOM 0 HB VAL A 4 10.313 13.712 7.226 1.00 7.39 H new ATOM 0 HG11 VAL A 4 12.478 14.268 6.183 1.00 7.04 H new ATOM 0 HG12 VAL A 4 11.634 12.968 5.308 1.00 7.04 H new ATOM 0 HG13 VAL A 4 11.642 14.623 4.653 1.00 7.04 H new ATOM 0 HG21 VAL A 4 11.202 15.983 7.397 1.00 7.42 H new ATOM 0 HG22 VAL A 4 10.313 16.439 5.925 1.00 7.42 H new ATOM 0 HG23 VAL A 4 9.423 15.958 7.389 1.00 7.42 H new ATOM 66 N THR A 5 9.536 11.887 4.458 1.00 5.44 N ATOM 67 CA THR A 5 9.403 10.450 4.333 1.00 4.29 C ATOM 68 C THR A 5 10.636 9.852 3.687 1.00 3.80 C ATOM 69 O THR A 5 11.583 10.570 3.366 1.00 4.42 O ATOM 70 CB THR A 5 8.151 10.076 3.515 1.00 4.62 C ATOM 71 OG1 THR A 5 8.052 10.930 2.374 1.00 4.49 O ATOM 72 CG2 THR A 5 6.880 10.188 4.358 1.00 5.81 C ATOM 0 H THR A 5 10.086 12.338 3.727 1.00 5.44 H new ATOM 0 HA THR A 5 9.295 10.041 5.337 1.00 4.29 H new ATOM 0 HB THR A 5 8.251 9.039 3.194 1.00 4.62 H new ATOM 0 HG1 THR A 5 8.796 11.568 2.377 1.00 4.49 H new ATOM 0 HG21 THR A 5 6.016 9.917 3.751 1.00 5.81 H new ATOM 0 HG22 THR A 5 6.949 9.514 5.212 1.00 5.81 H new ATOM 0 HG23 THR A 5 6.768 11.213 4.713 1.00 5.81 H new ATOM 77 N LEU A 6 10.608 8.547 3.463 1.00 2.83 N ATOM 78 CA LEU A 6 11.753 7.887 2.861 1.00 2.56 C ATOM 79 C LEU A 6 11.882 8.308 1.418 1.00 3.77 C ATOM 80 O LEU A 6 12.963 8.279 0.871 1.00 4.03 O ATOM 81 CB LEU A 6 11.704 6.359 2.942 1.00 2.11 C ATOM 82 CG LEU A 6 10.412 5.734 3.434 1.00 2.71 C ATOM 83 CD1 LEU A 6 9.439 5.563 2.286 1.00 3.42 C ATOM 84 CD2 LEU A 6 10.697 4.394 4.085 1.00 3.03 C ATOM 0 H LEU A 6 9.822 7.936 3.684 1.00 2.83 H new ATOM 0 HA LEU A 6 12.622 8.200 3.439 1.00 2.56 H new ATOM 0 HB2 LEU A 6 11.916 5.961 1.950 1.00 2.11 H new ATOM 0 HB3 LEU A 6 12.510 6.029 3.597 1.00 2.11 H new ATOM 0 HG LEU A 6 9.962 6.396 4.174 1.00 2.71 H new ATOM 0 HD11 LEU A 6 8.517 5.113 2.654 1.00 3.42 H new ATOM 0 HD12 LEU A 6 9.218 6.536 1.848 1.00 3.42 H new ATOM 0 HD13 LEU A 6 9.881 4.916 1.528 1.00 3.42 H new ATOM 0 HD21 LEU A 6 9.763 3.954 4.435 1.00 3.03 H new ATOM 0 HD22 LEU A 6 11.163 3.728 3.358 1.00 3.03 H new ATOM 0 HD23 LEU A 6 11.370 4.536 4.930 1.00 3.03 H new ATOM 90 N TYR A 7 10.776 8.735 0.820 1.00 4.60 N ATOM 91 CA TYR A 7 10.773 9.180 -0.562 1.00 5.89 C ATOM 92 C TYR A 7 11.610 10.433 -0.698 1.00 6.52 C ATOM 93 O TYR A 7 12.367 10.602 -1.651 1.00 7.28 O ATOM 94 CB TYR A 7 9.344 9.507 -1.003 1.00 6.61 C ATOM 95 CG TYR A 7 8.497 8.307 -1.343 1.00 6.45 C ATOM 96 CD1 TYR A 7 7.759 7.659 -0.366 1.00 5.86 C ATOM 97 CD2 TYR A 7 8.425 7.831 -2.645 1.00 7.13 C ATOM 98 CE1 TYR A 7 6.973 6.566 -0.674 1.00 6.07 C ATOM 99 CE2 TYR A 7 7.644 6.738 -2.964 1.00 7.22 C ATOM 100 CZ TYR A 7 6.919 6.109 -1.975 1.00 6.73 C ATOM 101 OH TYR A 7 6.138 5.018 -2.287 1.00 7.14 O ATOM 0 H TYR A 7 9.865 8.781 1.277 1.00 4.60 H new ATOM 0 HA TYR A 7 11.183 8.384 -1.184 1.00 5.89 H new ATOM 0 HB2 TYR A 7 8.853 10.067 -0.208 1.00 6.61 H new ATOM 0 HB3 TYR A 7 9.388 10.161 -1.874 1.00 6.61 H new ATOM 0 HD1 TYR A 7 7.799 8.014 0.653 1.00 5.86 H new ATOM 0 HD2 TYR A 7 8.990 8.324 -3.422 1.00 7.13 H new ATOM 0 HE1 TYR A 7 6.404 6.072 0.099 1.00 6.07 H new ATOM 0 HE2 TYR A 7 7.602 6.378 -3.982 1.00 7.22 H new ATOM 0 HH TYR A 7 6.211 4.827 -3.245 1.00 7.14 H new ATOM 111 N ASP A 8 11.459 11.303 0.280 1.00 6.38 N ATOM 112 CA ASP A 8 12.137 12.574 0.321 1.00 7.25 C ATOM 113 C ASP A 8 13.620 12.385 0.517 1.00 6.81 C ATOM 114 O ASP A 8 14.426 12.855 -0.286 1.00 7.53 O ATOM 115 CB ASP A 8 11.537 13.396 1.470 1.00 7.59 C ATOM 116 CG ASP A 8 10.077 13.751 1.245 1.00 8.67 C ATOM 117 OD1 ASP A 8 9.775 14.494 0.292 1.00 8.73 O ATOM 118 OD2 ASP A 8 9.221 13.288 2.030 1.00 9.57 O ATOM 0 H ASP A 8 10.849 11.139 1.081 1.00 6.38 H new ATOM 0 HA ASP A 8 12.001 13.099 -0.625 1.00 7.25 H new ATOM 0 HB2 ASP A 8 11.630 12.834 2.399 1.00 7.59 H new ATOM 0 HB3 ASP A 8 12.114 14.313 1.594 1.00 7.59 H new ATOM 123 N VAL A 9 13.988 11.692 1.578 1.00 5.62 N ATOM 124 CA VAL A 9 15.390 11.462 1.838 1.00 5.09 C ATOM 125 C VAL A 9 16.007 10.565 0.766 1.00 4.97 C ATOM 126 O VAL A 9 17.203 10.640 0.517 1.00 5.09 O ATOM 127 CB VAL A 9 15.674 10.952 3.276 1.00 4.01 C ATOM 128 CG1 VAL A 9 14.440 11.004 4.157 1.00 3.71 C ATOM 129 CG2 VAL A 9 16.276 9.562 3.289 1.00 4.12 C ATOM 0 H VAL A 9 13.347 11.287 2.260 1.00 5.62 H new ATOM 0 HA VAL A 9 15.883 12.433 1.780 1.00 5.09 H new ATOM 0 HB VAL A 9 16.413 11.637 3.692 1.00 4.01 H new ATOM 0 HG11 VAL A 9 14.688 10.637 5.153 1.00 3.71 H new ATOM 0 HG12 VAL A 9 14.086 12.032 4.227 1.00 3.71 H new ATOM 0 HG13 VAL A 9 13.658 10.380 3.725 1.00 3.71 H new ATOM 0 HG21 VAL A 9 16.455 9.253 4.319 1.00 4.12 H new ATOM 0 HG22 VAL A 9 15.587 8.863 2.815 1.00 4.12 H new ATOM 0 HG23 VAL A 9 17.219 9.569 2.743 1.00 4.12 H new ATOM 133 N ALA A 10 15.186 9.745 0.115 1.00 5.02 N ATOM 134 CA ALA A 10 15.668 8.887 -0.965 1.00 5.51 C ATOM 135 C ALA A 10 15.969 9.747 -2.174 1.00 6.77 C ATOM 136 O ALA A 10 16.919 9.512 -2.905 1.00 7.18 O ATOM 137 CB ALA A 10 14.647 7.824 -1.330 1.00 5.85 C ATOM 0 H ALA A 10 14.190 9.656 0.314 1.00 5.02 H new ATOM 0 HA ALA A 10 16.570 8.376 -0.628 1.00 5.51 H new ATOM 0 HB1 ALA A 10 15.039 7.204 -2.136 1.00 5.85 H new ATOM 0 HB2 ALA A 10 14.444 7.200 -0.459 1.00 5.85 H new ATOM 0 HB3 ALA A 10 13.724 8.303 -1.657 1.00 5.85 H new ATOM 143 N GLU A 11 15.155 10.772 -2.342 1.00 7.42 N ATOM 144 CA GLU A 11 15.296 11.705 -3.441 1.00 8.73 C ATOM 145 C GLU A 11 16.539 12.541 -3.218 1.00 8.83 C ATOM 146 O GLU A 11 17.325 12.795 -4.129 1.00 9.64 O ATOM 147 CB GLU A 11 14.052 12.584 -3.495 1.00 9.44 C ATOM 148 CG GLU A 11 13.301 12.493 -4.811 1.00 10.72 C ATOM 149 CD GLU A 11 13.851 13.425 -5.868 1.00 11.43 C ATOM 150 OE1 GLU A 11 14.834 13.059 -6.544 1.00 11.62 O ATOM 151 OE2 GLU A 11 13.296 14.532 -6.032 1.00 11.94 O ATOM 0 H GLU A 11 14.376 10.981 -1.718 1.00 7.42 H new ATOM 0 HA GLU A 11 15.397 11.177 -4.389 1.00 8.73 H new ATOM 0 HB2 GLU A 11 13.382 12.301 -2.683 1.00 9.44 H new ATOM 0 HB3 GLU A 11 14.342 13.621 -3.322 1.00 9.44 H new ATOM 0 HG2 GLU A 11 13.346 11.468 -5.179 1.00 10.72 H new ATOM 0 HG3 GLU A 11 12.250 12.725 -4.640 1.00 10.72 H new ATOM 158 N TYR A 12 16.685 12.956 -1.979 1.00 8.09 N ATOM 159 CA TYR A 12 17.822 13.727 -1.525 1.00 8.25 C ATOM 160 C TYR A 12 19.093 12.928 -1.740 1.00 7.64 C ATOM 161 O TYR A 12 20.056 13.376 -2.367 1.00 8.27 O ATOM 162 CB TYR A 12 17.647 13.949 -0.045 1.00 7.83 C ATOM 163 CG TYR A 12 18.077 15.295 0.463 1.00 8.89 C ATOM 164 CD1 TYR A 12 17.450 16.461 0.048 1.00 9.03 C ATOM 165 CD2 TYR A 12 19.099 15.389 1.386 1.00 9.83 C ATOM 166 CE1 TYR A 12 17.840 17.687 0.549 1.00 10.12 C ATOM 167 CE2 TYR A 12 19.495 16.597 1.886 1.00 10.89 C ATOM 168 CZ TYR A 12 18.864 17.749 1.468 1.00 11.05 C ATOM 169 OH TYR A 12 19.258 18.964 1.979 1.00 12.19 O ATOM 0 H TYR A 12 16.004 12.763 -1.245 1.00 8.09 H new ATOM 0 HA TYR A 12 17.888 14.669 -2.069 1.00 8.25 H new ATOM 0 HB2 TYR A 12 16.596 13.805 0.204 1.00 7.83 H new ATOM 0 HB3 TYR A 12 18.209 13.182 0.488 1.00 7.83 H new ATOM 0 HD1 TYR A 12 16.649 16.409 -0.674 1.00 9.03 H new ATOM 0 HD2 TYR A 12 19.595 14.490 1.719 1.00 9.83 H new ATOM 0 HE1 TYR A 12 17.346 18.590 0.223 1.00 10.12 H new ATOM 0 HE2 TYR A 12 20.299 16.649 2.605 1.00 10.89 H new ATOM 0 HH TYR A 12 20.175 18.894 2.319 1.00 12.19 H new ATOM 179 N ALA A 13 19.047 11.731 -1.191 1.00 6.42 N ATOM 180 CA ALA A 13 20.138 10.796 -1.272 1.00 5.71 C ATOM 181 C ALA A 13 20.369 10.358 -2.716 1.00 6.20 C ATOM 182 O ALA A 13 21.431 9.837 -3.054 1.00 6.25 O ATOM 183 CB ALA A 13 19.868 9.612 -0.364 1.00 4.38 C ATOM 0 H ALA A 13 18.241 11.382 -0.672 1.00 6.42 H new ATOM 0 HA ALA A 13 21.052 11.283 -0.933 1.00 5.71 H new ATOM 0 HB1 ALA A 13 20.697 8.907 -0.429 1.00 4.38 H new ATOM 0 HB2 ALA A 13 19.766 9.958 0.665 1.00 4.38 H new ATOM 0 HB3 ALA A 13 18.947 9.118 -0.674 1.00 4.38 H new ATOM 189 N GLY A 14 19.369 10.566 -3.569 1.00 6.71 N ATOM 190 CA GLY A 14 19.481 10.199 -4.964 1.00 7.50 C ATOM 191 C GLY A 14 18.754 8.906 -5.233 1.00 7.12 C ATOM 192 O GLY A 14 17.962 8.795 -6.166 1.00 7.67 O ATOM 0 H GLY A 14 18.476 10.987 -3.312 1.00 6.71 H new ATOM 0 HA2 GLY A 14 19.068 10.991 -5.588 1.00 7.50 H new ATOM 0 HA3 GLY A 14 20.532 10.095 -5.235 1.00 7.50 H new ATOM 196 N VAL A 15 19.116 7.923 -4.437 1.00 6.34 N ATOM 197 CA VAL A 15 18.559 6.567 -4.445 1.00 6.29 C ATOM 198 C VAL A 15 17.024 6.448 -4.444 1.00 6.88 C ATOM 199 O VAL A 15 16.279 7.404 -4.648 1.00 7.37 O ATOM 200 CB VAL A 15 19.109 5.828 -3.208 1.00 5.09 C ATOM 201 CG1 VAL A 15 20.614 5.966 -3.141 1.00 4.93 C ATOM 202 CG2 VAL A 15 18.494 6.376 -1.930 1.00 4.07 C ATOM 0 H VAL A 15 19.841 8.043 -3.729 1.00 6.34 H new ATOM 0 HA VAL A 15 18.866 6.133 -5.397 1.00 6.29 H new ATOM 0 HB VAL A 15 18.844 4.775 -3.302 1.00 5.09 H new ATOM 0 HG11 VAL A 15 20.989 5.440 -2.263 1.00 4.93 H new ATOM 0 HG12 VAL A 15 21.059 5.537 -4.039 1.00 4.93 H new ATOM 0 HG13 VAL A 15 20.880 7.021 -3.073 1.00 4.93 H new ATOM 0 HG21 VAL A 15 18.898 5.838 -1.072 1.00 4.07 H new ATOM 0 HG22 VAL A 15 18.730 7.436 -1.838 1.00 4.07 H new ATOM 0 HG23 VAL A 15 17.412 6.247 -1.962 1.00 4.07 H new ATOM 206 N SER A 16 16.579 5.214 -4.206 1.00 7.00 N ATOM 207 CA SER A 16 15.164 4.899 -4.170 1.00 7.47 C ATOM 208 C SER A 16 14.713 4.721 -2.729 1.00 6.42 C ATOM 209 O SER A 16 15.509 4.858 -1.794 1.00 5.43 O ATOM 210 CB SER A 16 14.874 3.629 -4.974 1.00 8.50 C ATOM 211 OG SER A 16 15.229 2.465 -4.242 1.00 9.32 O ATOM 0 H SER A 16 17.190 4.415 -4.035 1.00 7.00 H new ATOM 0 HA SER A 16 14.611 5.723 -4.620 1.00 7.47 H new ATOM 0 HB2 SER A 16 13.815 3.592 -5.230 1.00 8.50 H new ATOM 0 HB3 SER A 16 15.428 3.655 -5.912 1.00 8.50 H new ATOM 0 HG SER A 16 16.056 2.631 -3.744 1.00 9.32 H new ATOM 217 N VAL A 17 13.454 4.371 -2.552 1.00 6.67 N ATOM 218 CA VAL A 17 12.904 4.186 -1.234 1.00 5.79 C ATOM 219 C VAL A 17 13.349 2.858 -0.667 1.00 5.68 C ATOM 220 O VAL A 17 13.299 2.631 0.540 1.00 4.87 O ATOM 221 CB VAL A 17 11.378 4.265 -1.275 1.00 6.31 C ATOM 222 CG1 VAL A 17 10.979 5.638 -1.761 1.00 6.98 C ATOM 223 CG2 VAL A 17 10.786 3.175 -2.163 1.00 6.68 C ATOM 0 H VAL A 17 12.794 4.210 -3.313 1.00 6.67 H new ATOM 0 HA VAL A 17 13.271 4.983 -0.587 1.00 5.79 H new ATOM 0 HB VAL A 17 10.983 4.102 -0.273 1.00 6.31 H new ATOM 0 HG11 VAL A 17 9.892 5.710 -1.796 1.00 6.98 H new ATOM 0 HG12 VAL A 17 11.371 6.393 -1.080 1.00 6.98 H new ATOM 0 HG13 VAL A 17 11.386 5.803 -2.759 1.00 6.98 H new ATOM 0 HG21 VAL A 17 9.699 3.261 -2.169 1.00 6.68 H new ATOM 0 HG22 VAL A 17 11.165 3.288 -3.179 1.00 6.68 H new ATOM 0 HG23 VAL A 17 11.070 2.196 -1.776 1.00 6.68 H new ATOM 227 N ALA A 18 13.804 1.989 -1.554 1.00 6.73 N ATOM 228 CA ALA A 18 14.274 0.689 -1.158 1.00 7.11 C ATOM 229 C ALA A 18 15.618 0.821 -0.484 1.00 6.46 C ATOM 230 O ALA A 18 15.937 0.063 0.427 1.00 6.56 O ATOM 231 CB ALA A 18 14.374 -0.229 -2.355 1.00 8.51 C ATOM 0 H ALA A 18 13.855 2.170 -2.557 1.00 6.73 H new ATOM 0 HA ALA A 18 13.562 0.255 -0.456 1.00 7.11 H new ATOM 0 HB1 ALA A 18 14.731 -1.208 -2.034 1.00 8.51 H new ATOM 0 HB2 ALA A 18 13.392 -0.335 -2.816 1.00 8.51 H new ATOM 0 HB3 ALA A 18 15.071 0.192 -3.079 1.00 8.51 H new ATOM 237 N THR A 19 16.410 1.793 -0.930 1.00 5.99 N ATOM 238 CA THR A 19 17.719 2.016 -0.358 1.00 5.37 C ATOM 239 C THR A 19 17.586 2.575 1.049 1.00 4.05 C ATOM 240 O THR A 19 18.219 2.106 1.994 1.00 3.79 O ATOM 241 CB THR A 19 18.522 2.985 -1.230 1.00 5.54 C ATOM 242 OG1 THR A 19 17.986 2.982 -2.560 1.00 6.63 O ATOM 243 CG2 THR A 19 19.988 2.590 -1.275 1.00 5.80 C ATOM 0 H THR A 19 16.162 2.433 -1.684 1.00 5.99 H new ATOM 0 HA THR A 19 18.246 1.063 -0.314 1.00 5.37 H new ATOM 0 HB THR A 19 18.447 3.983 -0.798 1.00 5.54 H new ATOM 0 HG1 THR A 19 18.623 2.552 -3.168 1.00 6.63 H new ATOM 0 HG21 THR A 19 20.536 3.295 -1.901 1.00 5.80 H new ATOM 0 HG22 THR A 19 20.400 2.605 -0.266 1.00 5.80 H new ATOM 0 HG23 THR A 19 20.082 1.587 -1.690 1.00 5.80 H new ATOM 248 N VAL A 20 16.753 3.590 1.164 1.00 3.48 N ATOM 249 CA VAL A 20 16.490 4.230 2.443 1.00 2.24 C ATOM 250 C VAL A 20 15.833 3.264 3.413 1.00 2.45 C ATOM 251 O VAL A 20 16.158 3.252 4.596 1.00 2.38 O ATOM 252 CB VAL A 20 15.618 5.478 2.252 1.00 2.17 C ATOM 253 CG1 VAL A 20 15.181 6.074 3.577 1.00 1.59 C ATOM 254 CG2 VAL A 20 16.397 6.480 1.449 1.00 2.79 C ATOM 0 H VAL A 20 16.241 3.994 0.380 1.00 3.48 H new ATOM 0 HA VAL A 20 17.446 4.536 2.869 1.00 2.24 H new ATOM 0 HB VAL A 20 14.707 5.197 1.724 1.00 2.17 H new ATOM 0 HG11 VAL A 20 14.566 6.955 3.394 1.00 1.59 H new ATOM 0 HG12 VAL A 20 14.603 5.337 4.134 1.00 1.59 H new ATOM 0 HG13 VAL A 20 16.060 6.359 4.156 1.00 1.59 H new ATOM 0 HG21 VAL A 20 15.794 7.376 1.302 1.00 2.79 H new ATOM 0 HG22 VAL A 20 17.311 6.741 1.982 1.00 2.79 H new ATOM 0 HG23 VAL A 20 16.652 6.051 0.480 1.00 2.79 H new ATOM 258 N SER A 21 14.918 2.453 2.904 1.00 3.29 N ATOM 259 CA SER A 21 14.249 1.460 3.705 1.00 3.89 C ATOM 260 C SER A 21 15.287 0.552 4.331 1.00 4.74 C ATOM 261 O SER A 21 15.111 0.118 5.455 1.00 5.36 O ATOM 262 CB SER A 21 13.272 0.655 2.855 1.00 4.80 C ATOM 263 OG SER A 21 12.590 -0.310 3.632 1.00 5.42 O ATOM 0 H SER A 21 14.625 2.471 1.927 1.00 3.29 H new ATOM 0 HA SER A 21 13.677 1.952 4.492 1.00 3.89 H new ATOM 0 HB2 SER A 21 12.551 1.328 2.391 1.00 4.80 H new ATOM 0 HB3 SER A 21 13.811 0.160 2.048 1.00 4.80 H new ATOM 0 HG SER A 21 11.969 -0.810 3.062 1.00 5.42 H new ATOM 269 N ARG A 22 16.371 0.270 3.604 1.00 4.95 N ATOM 270 CA ARG A 22 17.430 -0.558 4.144 1.00 5.78 C ATOM 271 C ARG A 22 18.018 0.103 5.361 1.00 5.39 C ATOM 272 O ARG A 22 18.109 -0.509 6.405 1.00 6.16 O ATOM 273 CB ARG A 22 18.537 -0.766 3.132 1.00 6.11 C ATOM 274 CG ARG A 22 18.100 -1.415 1.839 1.00 6.80 C ATOM 275 CD ARG A 22 17.511 -2.797 2.071 1.00 7.67 C ATOM 276 NE ARG A 22 17.292 -3.516 0.817 1.00 8.53 N ATOM 277 CZ ARG A 22 16.916 -4.794 0.751 1.00 9.40 C ATOM 278 NH1 ARG A 22 16.664 -5.474 1.865 1.00 9.56 N ATOM 279 NH2 ARG A 22 16.779 -5.386 -0.430 1.00 10.29 N ATOM 0 H ARG A 22 16.530 0.602 2.653 1.00 4.95 H new ATOM 0 HA ARG A 22 16.997 -1.525 4.401 1.00 5.78 H new ATOM 0 HB2 ARG A 22 18.987 0.200 2.903 1.00 6.11 H new ATOM 0 HB3 ARG A 22 19.314 -1.381 3.586 1.00 6.11 H new ATOM 0 HG2 ARG A 22 17.361 -0.783 1.347 1.00 6.80 H new ATOM 0 HG3 ARG A 22 18.953 -1.492 1.165 1.00 6.80 H new ATOM 0 HD2 ARG A 22 18.181 -3.375 2.708 1.00 7.67 H new ATOM 0 HD3 ARG A 22 16.566 -2.703 2.605 1.00 7.67 H new ATOM 0 HE ARG A 22 17.435 -3.011 -0.058 1.00 8.53 H new ATOM 0 HH11 ARG A 22 16.758 -5.019 2.773 1.00 9.56 H new ATOM 0 HH12 ARG A 22 16.377 -6.451 1.812 1.00 9.56 H new ATOM 0 HH21 ARG A 22 16.961 -4.863 -1.287 1.00 10.29 H new ATOM 0 HH22 ARG A 22 16.491 -6.363 -0.480 1.00 10.29 H new ATOM 293 N VAL A 23 18.342 1.382 5.223 1.00 4.37 N ATOM 294 CA VAL A 23 18.945 2.143 6.309 1.00 4.33 C ATOM 295 C VAL A 23 17.954 2.278 7.444 1.00 4.40 C ATOM 296 O VAL A 23 18.300 2.109 8.613 1.00 5.33 O ATOM 297 CB VAL A 23 19.417 3.528 5.853 1.00 3.40 C ATOM 298 CG1 VAL A 23 20.079 4.258 7.009 1.00 3.55 C ATOM 299 CG2 VAL A 23 20.372 3.398 4.675 1.00 3.56 C ATOM 0 H VAL A 23 18.197 1.916 4.366 1.00 4.37 H new ATOM 0 HA VAL A 23 19.826 1.598 6.648 1.00 4.33 H new ATOM 0 HB VAL A 23 18.554 4.109 5.528 1.00 3.40 H new ATOM 0 HG11 VAL A 23 20.411 5.241 6.676 1.00 3.55 H new ATOM 0 HG12 VAL A 23 19.364 4.373 7.824 1.00 3.55 H new ATOM 0 HG13 VAL A 23 20.937 3.684 7.358 1.00 3.55 H new ATOM 0 HG21 VAL A 23 20.700 4.389 4.361 1.00 3.56 H new ATOM 0 HG22 VAL A 23 21.238 2.807 4.972 1.00 3.56 H new ATOM 0 HG23 VAL A 23 19.863 2.905 3.847 1.00 3.56 H new ATOM 303 N VAL A 24 16.720 2.560 7.081 1.00 3.61 N ATOM 304 CA VAL A 24 15.633 2.658 8.025 1.00 3.77 C ATOM 305 C VAL A 24 15.472 1.306 8.726 1.00 4.89 C ATOM 306 O VAL A 24 15.062 1.219 9.885 1.00 5.58 O ATOM 307 CB VAL A 24 14.354 3.045 7.250 1.00 2.64 C ATOM 308 CG1 VAL A 24 13.098 2.664 7.975 1.00 3.07 C ATOM 309 CG2 VAL A 24 14.343 4.526 6.969 1.00 2.21 C ATOM 0 H VAL A 24 16.444 2.729 6.114 1.00 3.61 H new ATOM 0 HA VAL A 24 15.828 3.417 8.782 1.00 3.77 H new ATOM 0 HB VAL A 24 14.374 2.486 6.315 1.00 2.64 H new ATOM 0 HG11 VAL A 24 12.232 2.960 7.383 1.00 3.07 H new ATOM 0 HG12 VAL A 24 13.080 1.585 8.129 1.00 3.07 H new ATOM 0 HG13 VAL A 24 13.068 3.169 8.940 1.00 3.07 H new ATOM 0 HG21 VAL A 24 13.437 4.786 6.422 1.00 2.21 H new ATOM 0 HG22 VAL A 24 14.369 5.075 7.910 1.00 2.21 H new ATOM 0 HG23 VAL A 24 15.215 4.789 6.371 1.00 2.21 H new ATOM 313 N ASN A 25 15.846 0.265 7.993 1.00 5.31 N ATOM 314 CA ASN A 25 15.789 -1.111 8.476 1.00 6.55 C ATOM 315 C ASN A 25 17.148 -1.566 8.987 1.00 7.52 C ATOM 316 O ASN A 25 17.461 -2.759 8.949 1.00 8.44 O ATOM 317 CB ASN A 25 15.358 -2.059 7.356 1.00 6.78 C ATOM 318 CG ASN A 25 13.865 -2.314 7.312 1.00 6.55 C ATOM 319 OD1 ASN A 25 13.319 -3.049 8.136 1.00 7.29 O ATOM 320 ND2 ASN A 25 13.197 -1.716 6.333 1.00 5.69 N ATOM 0 H ASN A 25 16.200 0.351 7.040 1.00 5.31 H new ATOM 0 HA ASN A 25 15.063 -1.138 9.288 1.00 6.55 H new ATOM 0 HB2 ASN A 25 15.675 -1.644 6.399 1.00 6.78 H new ATOM 0 HB3 ASN A 25 15.876 -3.010 7.478 1.00 6.78 H new ATOM 0 HD21 ASN A 25 12.191 -1.857 6.242 1.00 5.69 H new ATOM 0 HD22 ASN A 25 13.690 -1.115 5.672 1.00 5.69 H new ATOM 327 N GLN A 26 17.962 -0.609 9.434 1.00 7.38 N ATOM 328 CA GLN A 26 19.295 -0.891 9.977 1.00 8.36 C ATOM 329 C GLN A 26 20.194 -1.372 8.852 1.00 8.53 C ATOM 330 O GLN A 26 20.824 -2.430 8.938 1.00 9.33 O ATOM 331 CB GLN A 26 19.290 -1.905 11.138 1.00 9.59 C ATOM 332 CG GLN A 26 17.968 -2.035 11.880 1.00 9.80 C ATOM 333 CD GLN A 26 17.377 -0.713 12.319 1.00 9.62 C ATOM 334 OE1 GLN A 26 18.090 0.217 12.689 1.00 10.45 O ATOM 335 NE2 GLN A 26 16.056 -0.628 12.261 1.00 8.63 N ATOM 0 H GLN A 26 17.718 0.382 9.431 1.00 7.38 H new ATOM 0 HA GLN A 26 19.675 0.038 10.402 1.00 8.36 H new ATOM 0 HB2 GLN A 26 19.565 -2.884 10.745 1.00 9.59 H new ATOM 0 HB3 GLN A 26 20.062 -1.619 11.852 1.00 9.59 H new ATOM 0 HG2 GLN A 26 17.251 -2.546 11.238 1.00 9.80 H new ATOM 0 HG3 GLN A 26 18.116 -2.665 12.757 1.00 9.80 H new ATOM 0 HE21 GLN A 26 15.507 -1.428 11.947 1.00 8.63 H new ATOM 0 HE22 GLN A 26 15.588 0.238 12.530 1.00 8.63 H new ATOM 342 N ALA A 27 20.243 -0.534 7.821 1.00 7.90 N ATOM 343 CA ALA A 27 20.997 -0.728 6.586 1.00 8.11 C ATOM 344 C ALA A 27 21.328 -2.180 6.252 1.00 8.82 C ATOM 345 O ALA A 27 20.538 -2.848 5.580 1.00 9.01 O ATOM 346 CB ALA A 27 22.239 0.135 6.626 1.00 7.97 C ATOM 0 H ALA A 27 19.730 0.347 7.825 1.00 7.90 H new ATOM 0 HA ALA A 27 20.345 -0.418 5.769 1.00 8.11 H new ATOM 0 HB1 ALA A 27 22.808 -0.004 5.707 1.00 7.97 H new ATOM 0 HB2 ALA A 27 21.952 1.182 6.720 1.00 7.97 H new ATOM 0 HB3 ALA A 27 22.853 -0.151 7.480 1.00 7.97 H new ATOM 352 N SER A 28 22.479 -2.656 6.728 1.00 9.39 N ATOM 353 CA SER A 28 22.941 -4.007 6.457 1.00 10.23 C ATOM 354 C SER A 28 23.278 -4.147 4.977 1.00 10.33 C ATOM 355 O SER A 28 24.438 -4.043 4.587 1.00 11.17 O ATOM 356 CB SER A 28 21.900 -5.033 6.891 1.00 11.03 C ATOM 357 OG SER A 28 21.667 -4.975 8.291 1.00 11.40 O ATOM 0 H SER A 28 23.114 -2.111 7.312 1.00 9.39 H new ATOM 0 HA SER A 28 23.844 -4.198 7.036 1.00 10.23 H new ATOM 0 HB2 SER A 28 20.966 -4.854 6.358 1.00 11.03 H new ATOM 0 HB3 SER A 28 22.237 -6.033 6.618 1.00 11.03 H new ATOM 0 HG SER A 28 21.445 -4.056 8.548 1.00 11.40 H new ATOM 363 N HIS A 29 22.260 -4.353 4.156 1.00 9.57 N ATOM 364 CA HIS A 29 22.456 -4.482 2.712 1.00 9.82 C ATOM 365 C HIS A 29 22.564 -3.115 2.025 1.00 8.86 C ATOM 366 O HIS A 29 22.124 -2.940 0.892 1.00 8.91 O ATOM 367 CB HIS A 29 21.349 -5.330 2.071 1.00 10.11 C ATOM 368 CG HIS A 29 21.558 -6.801 2.271 1.00 11.30 C ATOM 369 ND1 HIS A 29 21.016 -7.772 1.451 1.00 12.35 N ATOM 370 CD2 HIS A 29 22.283 -7.464 3.201 1.00 11.68 C ATOM 371 CE1 HIS A 29 21.405 -8.963 1.873 1.00 13.27 C ATOM 372 NE2 HIS A 29 22.173 -8.802 2.932 1.00 12.89 N ATOM 0 H HIS A 29 21.290 -4.435 4.460 1.00 9.57 H new ATOM 0 HA HIS A 29 23.405 -4.998 2.565 1.00 9.82 H new ATOM 0 HB2 HIS A 29 20.386 -5.043 2.494 1.00 10.11 H new ATOM 0 HB3 HIS A 29 21.305 -5.115 1.003 1.00 10.11 H new ATOM 0 HD2 HIS A 29 22.846 -7.019 4.008 1.00 11.68 H new ATOM 0 HE1 HIS A 29 21.138 -9.909 1.425 1.00 13.27 H new ATOM 0 HE2 HIS A 29 22.614 -9.552 3.464 1.00 12.89 H new ATOM 381 N VAL A 30 23.147 -2.162 2.736 1.00 8.15 N ATOM 382 CA VAL A 30 23.392 -0.825 2.237 1.00 7.28 C ATOM 383 C VAL A 30 24.857 -0.484 2.481 1.00 7.71 C ATOM 384 O VAL A 30 25.367 -0.690 3.588 1.00 8.18 O ATOM 385 CB VAL A 30 22.481 0.233 2.920 1.00 6.03 C ATOM 386 CG1 VAL A 30 23.263 1.463 3.371 1.00 5.53 C ATOM 387 CG2 VAL A 30 21.375 0.653 1.981 1.00 5.47 C ATOM 0 H VAL A 30 23.468 -2.303 3.694 1.00 8.15 H new ATOM 0 HA VAL A 30 23.160 -0.804 1.172 1.00 7.28 H new ATOM 0 HB VAL A 30 22.056 -0.235 3.808 1.00 6.03 H new ATOM 0 HG11 VAL A 30 22.584 2.173 3.842 1.00 5.53 H new ATOM 0 HG12 VAL A 30 24.030 1.165 4.086 1.00 5.53 H new ATOM 0 HG13 VAL A 30 23.735 1.931 2.507 1.00 5.53 H new ATOM 0 HG21 VAL A 30 20.744 1.394 2.471 1.00 5.47 H new ATOM 0 HG22 VAL A 30 21.808 1.085 1.079 1.00 5.47 H new ATOM 0 HG23 VAL A 30 20.774 -0.216 1.715 1.00 5.47 H new ATOM 391 N SER A 31 25.539 -0.019 1.442 1.00 7.70 N ATOM 392 CA SER A 31 26.933 0.366 1.552 1.00 8.11 C ATOM 393 C SER A 31 27.105 1.449 2.619 1.00 7.34 C ATOM 394 O SER A 31 26.221 2.286 2.806 1.00 7.15 O ATOM 395 CB SER A 31 27.420 0.865 0.191 1.00 8.37 C ATOM 396 OG SER A 31 26.326 1.027 -0.704 1.00 9.26 O ATOM 0 H SER A 31 25.143 0.100 0.510 1.00 7.70 H new ATOM 0 HA SER A 31 27.528 -0.496 1.853 1.00 8.11 H new ATOM 0 HB2 SER A 31 27.942 1.814 0.311 1.00 8.37 H new ATOM 0 HB3 SER A 31 28.137 0.158 -0.226 1.00 8.37 H new ATOM 0 HG SER A 31 26.656 1.348 -1.569 1.00 9.26 H new ATOM 402 N ALA A 32 28.235 1.421 3.318 1.00 7.04 N ATOM 403 CA ALA A 32 28.523 2.389 4.375 1.00 6.69 C ATOM 404 C ALA A 32 28.312 3.820 3.895 1.00 5.51 C ATOM 405 O ALA A 32 27.703 4.634 4.593 1.00 5.18 O ATOM 406 CB ALA A 32 29.943 2.203 4.885 1.00 7.54 C ATOM 0 H ALA A 32 28.973 0.733 3.171 1.00 7.04 H new ATOM 0 HA ALA A 32 27.826 2.209 5.193 1.00 6.69 H new ATOM 0 HB1 ALA A 32 30.145 2.930 5.672 1.00 7.54 H new ATOM 0 HB2 ALA A 32 30.057 1.195 5.284 1.00 7.54 H new ATOM 0 HB3 ALA A 32 30.646 2.351 4.065 1.00 7.54 H new ATOM 412 N LYS A 33 28.815 4.125 2.703 1.00 5.14 N ATOM 413 CA LYS A 33 28.664 5.455 2.127 1.00 4.27 C ATOM 414 C LYS A 33 27.191 5.795 1.921 1.00 3.52 C ATOM 415 O LYS A 33 26.763 6.917 2.182 1.00 3.09 O ATOM 416 CB LYS A 33 29.427 5.555 0.810 1.00 4.58 C ATOM 417 CG LYS A 33 29.637 6.983 0.326 1.00 4.41 C ATOM 418 CD LYS A 33 30.420 7.806 1.337 1.00 4.64 C ATOM 419 CE LYS A 33 29.548 8.864 1.998 1.00 5.36 C ATOM 420 NZ LYS A 33 30.188 9.427 3.213 1.00 6.12 N ATOM 0 H LYS A 33 29.331 3.468 2.117 1.00 5.14 H new ATOM 0 HA LYS A 33 29.083 6.179 2.826 1.00 4.27 H new ATOM 0 HB2 LYS A 33 30.399 5.075 0.927 1.00 4.58 H new ATOM 0 HB3 LYS A 33 28.886 4.998 0.045 1.00 4.58 H new ATOM 0 HG2 LYS A 33 30.169 6.971 -0.625 1.00 4.41 H new ATOM 0 HG3 LYS A 33 28.670 7.452 0.144 1.00 4.41 H new ATOM 0 HD2 LYS A 33 30.834 7.147 2.100 1.00 4.64 H new ATOM 0 HD3 LYS A 33 31.262 8.287 0.840 1.00 4.64 H new ATOM 0 HE2 LYS A 33 29.349 9.666 1.287 1.00 5.36 H new ATOM 0 HE3 LYS A 33 28.585 8.427 2.264 1.00 5.36 H new ATOM 0 HZ1 LYS A 33 29.621 10.224 3.567 1.00 6.12 H new ATOM 0 HZ2 LYS A 33 30.247 8.692 3.946 1.00 6.12 H new ATOM 0 HZ3 LYS A 33 31.145 9.760 2.979 1.00 6.12 H new ATOM 434 N THR A 34 26.423 4.821 1.461 1.00 3.69 N ATOM 435 CA THR A 34 25.000 5.005 1.239 1.00 3.13 C ATOM 436 C THR A 34 24.270 5.223 2.555 1.00 2.69 C ATOM 437 O THR A 34 23.373 6.053 2.647 1.00 2.13 O ATOM 438 CB THR A 34 24.393 3.817 0.511 1.00 3.87 C ATOM 439 OG1 THR A 34 25.127 3.543 -0.692 1.00 4.66 O ATOM 440 CG2 THR A 34 22.932 4.088 0.191 1.00 3.46 C ATOM 0 H THR A 34 26.766 3.888 1.233 1.00 3.69 H new ATOM 0 HA THR A 34 24.884 5.891 0.615 1.00 3.13 H new ATOM 0 HB THR A 34 24.450 2.942 1.159 1.00 3.87 H new ATOM 0 HG1 THR A 34 25.525 2.649 -0.636 1.00 4.66 H new ATOM 0 HG21 THR A 34 22.508 3.230 -0.330 1.00 3.46 H new ATOM 0 HG22 THR A 34 22.382 4.258 1.117 1.00 3.46 H new ATOM 0 HG23 THR A 34 22.856 4.971 -0.443 1.00 3.46 H new ATOM 445 N ARG A 35 24.645 4.462 3.563 1.00 3.41 N ATOM 446 CA ARG A 35 24.054 4.609 4.885 1.00 3.80 C ATOM 447 C ARG A 35 24.148 6.065 5.324 1.00 3.65 C ATOM 448 O ARG A 35 23.183 6.649 5.803 1.00 3.56 O ATOM 449 CB ARG A 35 24.771 3.685 5.883 1.00 5.03 C ATOM 450 CG ARG A 35 24.443 3.958 7.346 1.00 5.76 C ATOM 451 CD ARG A 35 25.335 5.023 7.940 1.00 6.34 C ATOM 452 NE ARG A 35 24.865 5.476 9.249 1.00 7.34 N ATOM 453 CZ ARG A 35 25.632 5.604 10.326 1.00 8.26 C ATOM 454 NH1 ARG A 35 26.920 5.282 10.286 1.00 8.43 N ATOM 455 NH2 ARG A 35 25.097 6.061 11.448 1.00 9.19 N ATOM 0 H ARG A 35 25.356 3.734 3.496 1.00 3.41 H new ATOM 0 HA ARG A 35 23.003 4.324 4.852 1.00 3.80 H new ATOM 0 HB2 ARG A 35 24.512 2.652 5.653 1.00 5.03 H new ATOM 0 HB3 ARG A 35 25.847 3.783 5.741 1.00 5.03 H new ATOM 0 HG2 ARG A 35 23.402 4.269 7.432 1.00 5.76 H new ATOM 0 HG3 ARG A 35 24.549 3.037 7.919 1.00 5.76 H new ATOM 0 HD2 ARG A 35 26.348 4.633 8.036 1.00 6.34 H new ATOM 0 HD3 ARG A 35 25.384 5.873 7.260 1.00 6.34 H new ATOM 0 HE ARG A 35 23.877 5.711 9.342 1.00 7.34 H new ATOM 0 HH11 ARG A 35 27.331 4.932 9.421 1.00 8.43 H new ATOM 0 HH12 ARG A 35 27.498 5.385 11.120 1.00 8.43 H new ATOM 0 HH21 ARG A 35 24.108 6.309 11.477 1.00 9.19 H new ATOM 0 HH22 ARG A 35 25.674 6.165 12.283 1.00 9.19 H new ATOM 469 N GLU A 36 25.312 6.644 5.103 1.00 3.88 N ATOM 470 CA GLU A 36 25.561 8.031 5.461 1.00 4.33 C ATOM 471 C GLU A 36 24.792 8.947 4.517 1.00 3.97 C ATOM 472 O GLU A 36 24.271 9.988 4.913 1.00 4.78 O ATOM 473 CB GLU A 36 27.051 8.332 5.395 1.00 4.67 C ATOM 474 CG GLU A 36 27.878 7.544 6.372 1.00 4.99 C ATOM 475 CD GLU A 36 29.364 7.687 6.123 1.00 5.54 C ATOM 476 OE1 GLU A 36 29.810 7.446 4.981 1.00 5.95 O ATOM 477 OE2 GLU A 36 30.096 8.037 7.068 1.00 5.83 O ATOM 0 H GLU A 36 26.108 6.172 4.674 1.00 3.88 H new ATOM 0 HA GLU A 36 25.220 8.205 6.482 1.00 4.33 H new ATOM 0 HB2 GLU A 36 27.408 8.128 4.385 1.00 4.67 H new ATOM 0 HB3 GLU A 36 27.205 9.395 5.579 1.00 4.67 H new ATOM 0 HG2 GLU A 36 27.650 7.874 7.385 1.00 4.99 H new ATOM 0 HG3 GLU A 36 27.602 6.491 6.310 1.00 4.99 H new ATOM 484 N LYS A 37 24.731 8.513 3.267 1.00 3.11 N ATOM 485 CA LYS A 37 24.041 9.220 2.195 1.00 3.31 C ATOM 486 C LYS A 37 22.592 9.539 2.563 1.00 3.41 C ATOM 487 O LYS A 37 22.116 10.666 2.419 1.00 4.34 O ATOM 488 CB LYS A 37 24.047 8.332 0.951 1.00 2.99 C ATOM 489 CG LYS A 37 23.303 8.935 -0.211 1.00 3.65 C ATOM 490 CD LYS A 37 22.782 7.865 -1.155 1.00 3.97 C ATOM 491 CE LYS A 37 23.868 7.330 -2.069 1.00 5.00 C ATOM 492 NZ LYS A 37 24.444 8.400 -2.925 1.00 5.78 N ATOM 0 H LYS A 37 25.168 7.643 2.962 1.00 3.11 H new ATOM 0 HA LYS A 37 24.558 10.163 2.017 1.00 3.31 H new ATOM 0 HB2 LYS A 37 25.078 8.140 0.654 1.00 2.99 H new ATOM 0 HB3 LYS A 37 23.602 7.368 1.198 1.00 2.99 H new ATOM 0 HG2 LYS A 37 22.469 9.532 0.160 1.00 3.65 H new ATOM 0 HG3 LYS A 37 23.962 9.612 -0.755 1.00 3.65 H new ATOM 0 HD2 LYS A 37 22.361 7.044 -0.574 1.00 3.97 H new ATOM 0 HD3 LYS A 37 21.973 8.277 -1.758 1.00 3.97 H new ATOM 0 HE2 LYS A 37 24.659 6.879 -1.469 1.00 5.00 H new ATOM 0 HE3 LYS A 37 23.457 6.542 -2.700 1.00 5.00 H new ATOM 0 HZ1 LYS A 37 24.827 7.980 -3.796 1.00 5.78 H new ATOM 0 HZ2 LYS A 37 23.702 9.086 -3.169 1.00 5.78 H new ATOM 0 HZ3 LYS A 37 25.207 8.884 -2.410 1.00 5.78 H new ATOM 506 N VAL A 38 21.921 8.529 3.067 1.00 2.59 N ATOM 507 CA VAL A 38 20.532 8.657 3.427 1.00 2.60 C ATOM 508 C VAL A 38 20.362 9.275 4.806 1.00 3.45 C ATOM 509 O VAL A 38 19.396 9.993 5.033 1.00 4.01 O ATOM 510 CB VAL A 38 19.764 7.330 3.343 1.00 1.59 C ATOM 511 CG1 VAL A 38 20.417 6.389 2.360 1.00 1.78 C ATOM 512 CG2 VAL A 38 19.618 6.681 4.701 1.00 1.68 C ATOM 0 H VAL A 38 22.319 7.606 3.237 1.00 2.59 H new ATOM 0 HA VAL A 38 20.099 9.329 2.686 1.00 2.60 H new ATOM 0 HB VAL A 38 18.761 7.556 2.981 1.00 1.59 H new ATOM 0 HG11 VAL A 38 19.854 5.457 2.319 1.00 1.78 H new ATOM 0 HG12 VAL A 38 20.431 6.848 1.371 1.00 1.78 H new ATOM 0 HG13 VAL A 38 21.439 6.182 2.678 1.00 1.78 H new ATOM 0 HG21 VAL A 38 19.069 5.745 4.600 1.00 1.68 H new ATOM 0 HG22 VAL A 38 20.606 6.480 5.116 1.00 1.68 H new ATOM 0 HG23 VAL A 38 19.074 7.350 5.367 1.00 1.68 H new ATOM 516 N GLU A 39 21.285 9.008 5.729 1.00 3.88 N ATOM 517 CA GLU A 39 21.201 9.567 7.048 1.00 5.08 C ATOM 518 C GLU A 39 21.320 11.065 6.964 1.00 6.00 C ATOM 519 O GLU A 39 20.628 11.799 7.668 1.00 6.91 O ATOM 520 CB GLU A 39 22.294 8.983 7.913 1.00 5.69 C ATOM 521 CG GLU A 39 21.977 7.580 8.373 1.00 5.68 C ATOM 522 CD GLU A 39 21.975 7.445 9.879 1.00 6.80 C ATOM 523 OE1 GLU A 39 21.383 8.312 10.562 1.00 7.26 O ATOM 524 OE2 GLU A 39 22.567 6.473 10.391 1.00 7.39 O ATOM 0 H GLU A 39 22.094 8.406 5.573 1.00 3.88 H new ATOM 0 HA GLU A 39 20.239 9.322 7.498 1.00 5.08 H new ATOM 0 HB2 GLU A 39 23.230 8.977 7.355 1.00 5.69 H new ATOM 0 HB3 GLU A 39 22.446 9.622 8.783 1.00 5.69 H new ATOM 0 HG2 GLU A 39 21.002 7.287 7.985 1.00 5.68 H new ATOM 0 HG3 GLU A 39 22.708 6.890 7.952 1.00 5.68 H new ATOM 531 N ALA A 40 22.207 11.512 6.092 1.00 5.87 N ATOM 532 CA ALA A 40 22.396 12.929 5.876 1.00 6.87 C ATOM 533 C ALA A 40 21.097 13.534 5.374 1.00 7.09 C ATOM 534 O ALA A 40 20.689 14.612 5.797 1.00 8.16 O ATOM 535 CB ALA A 40 23.527 13.186 4.890 1.00 6.81 C ATOM 0 H ALA A 40 22.805 10.912 5.524 1.00 5.87 H new ATOM 0 HA ALA A 40 22.673 13.399 6.820 1.00 6.87 H new ATOM 0 HB1 ALA A 40 23.647 14.260 4.746 1.00 6.81 H new ATOM 0 HB2 ALA A 40 24.454 12.766 5.282 1.00 6.81 H new ATOM 0 HB3 ALA A 40 23.291 12.716 3.935 1.00 6.81 H new ATOM 541 N ALA A 41 20.447 12.803 4.482 1.00 6.17 N ATOM 542 CA ALA A 41 19.189 13.218 3.916 1.00 6.47 C ATOM 543 C ALA A 41 18.133 13.259 5.001 1.00 6.62 C ATOM 544 O ALA A 41 17.428 14.254 5.163 1.00 7.57 O ATOM 545 CB ALA A 41 18.791 12.265 2.807 1.00 5.68 C ATOM 0 H ALA A 41 20.784 11.905 4.135 1.00 6.17 H new ATOM 0 HA ALA A 41 19.286 14.217 3.492 1.00 6.47 H new ATOM 0 HB1 ALA A 41 17.839 12.581 2.380 1.00 5.68 H new ATOM 0 HB2 ALA A 41 19.556 12.270 2.031 1.00 5.68 H new ATOM 0 HB3 ALA A 41 18.691 11.258 3.211 1.00 5.68 H new ATOM 551 N MET A 42 18.074 12.182 5.774 1.00 5.83 N ATOM 552 CA MET A 42 17.122 12.055 6.857 1.00 6.11 C ATOM 553 C MET A 42 17.246 13.214 7.823 1.00 7.48 C ATOM 554 O MET A 42 16.264 13.781 8.288 1.00 8.06 O ATOM 555 CB MET A 42 17.387 10.775 7.645 1.00 5.37 C ATOM 556 CG MET A 42 17.015 9.489 6.936 1.00 5.60 C ATOM 557 SD MET A 42 17.448 8.037 7.913 1.00 6.10 S ATOM 558 CE MET A 42 16.767 6.726 6.905 1.00 6.80 C ATOM 0 H MET A 42 18.687 11.375 5.663 1.00 5.83 H new ATOM 0 HA MET A 42 16.126 12.039 6.414 1.00 6.11 H new ATOM 0 HB2 MET A 42 18.446 10.737 7.899 1.00 5.37 H new ATOM 0 HB3 MET A 42 16.836 10.825 8.584 1.00 5.37 H new ATOM 0 HG2 MET A 42 15.944 9.483 6.731 1.00 5.60 H new ATOM 0 HG3 MET A 42 17.524 9.444 5.973 1.00 5.60 H new ATOM 0 HE1 MET A 42 16.894 5.771 7.415 1.00 6.80 H new ATOM 0 HE2 MET A 42 15.706 6.910 6.738 1.00 6.80 H new ATOM 0 HE3 MET A 42 17.286 6.697 5.947 1.00 6.80 H new ATOM 568 N ALA A 43 18.482 13.543 8.105 1.00 8.03 N ATOM 569 CA ALA A 43 18.838 14.594 9.054 1.00 9.31 C ATOM 570 C ALA A 43 18.346 15.978 8.652 1.00 10.25 C ATOM 571 O ALA A 43 17.719 16.671 9.454 1.00 11.28 O ATOM 572 CB ALA A 43 20.348 14.620 9.238 1.00 9.57 C ATOM 0 H ALA A 43 19.289 13.087 7.680 1.00 8.03 H new ATOM 0 HA ALA A 43 18.336 14.351 9.990 1.00 9.31 H new ATOM 0 HB1 ALA A 43 20.615 15.404 9.946 1.00 9.57 H new ATOM 0 HB2 ALA A 43 20.685 13.656 9.620 1.00 9.57 H new ATOM 0 HB3 ALA A 43 20.828 14.818 8.280 1.00 9.57 H new ATOM 578 N GLU A 44 18.625 16.372 7.424 1.00 9.94 N ATOM 579 CA GLU A 44 18.258 17.690 6.936 1.00 10.91 C ATOM 580 C GLU A 44 16.769 17.910 6.966 1.00 11.00 C ATOM 581 O GLU A 44 16.271 18.920 7.464 1.00 11.96 O ATOM 582 CB GLU A 44 18.754 17.853 5.529 1.00 10.69 C ATOM 583 CG GLU A 44 20.213 17.527 5.397 1.00 10.14 C ATOM 584 CD GLU A 44 21.005 18.616 4.712 1.00 10.80 C ATOM 585 OE1 GLU A 44 21.282 19.649 5.357 1.00 10.65 O ATOM 586 OE2 GLU A 44 21.353 18.449 3.528 1.00 11.61 O ATOM 0 H GLU A 44 19.110 15.792 6.739 1.00 9.94 H new ATOM 0 HA GLU A 44 18.717 18.428 7.594 1.00 10.91 H new ATOM 0 HB2 GLU A 44 18.178 17.207 4.866 1.00 10.69 H new ATOM 0 HB3 GLU A 44 18.582 18.879 5.202 1.00 10.69 H new ATOM 0 HG2 GLU A 44 20.631 17.351 6.388 1.00 10.14 H new ATOM 0 HG3 GLU A 44 20.322 16.599 4.836 1.00 10.14 H new ATOM 593 N LEU A 45 16.067 16.952 6.424 1.00 10.01 N ATOM 594 CA LEU A 45 14.629 17.005 6.343 1.00 9.84 C ATOM 595 C LEU A 45 13.963 16.702 7.684 1.00 9.73 C ATOM 596 O LEU A 45 12.823 17.103 7.911 1.00 9.79 O ATOM 597 CB LEU A 45 14.167 15.991 5.309 1.00 8.74 C ATOM 598 CG LEU A 45 15.031 15.900 4.050 1.00 8.44 C ATOM 599 CD1 LEU A 45 14.981 14.505 3.458 1.00 7.77 C ATOM 600 CD2 LEU A 45 14.575 16.912 3.030 1.00 8.82 C ATOM 0 H LEU A 45 16.477 16.108 6.024 1.00 10.01 H new ATOM 0 HA LEU A 45 14.340 18.017 6.058 1.00 9.84 H new ATOM 0 HB2 LEU A 45 14.134 15.008 5.778 1.00 8.74 H new ATOM 0 HB3 LEU A 45 13.147 16.238 5.013 1.00 8.74 H new ATOM 0 HG LEU A 45 16.062 16.117 4.329 1.00 8.44 H new ATOM 0 HD11 LEU A 45 15.603 14.467 2.564 1.00 7.77 H new ATOM 0 HD12 LEU A 45 15.351 13.786 4.189 1.00 7.77 H new ATOM 0 HD13 LEU A 45 13.952 14.258 3.195 1.00 7.77 H new ATOM 0 HD21 LEU A 45 15.198 16.837 2.139 1.00 8.82 H new ATOM 0 HD22 LEU A 45 13.536 16.717 2.764 1.00 8.82 H new ATOM 0 HD23 LEU A 45 14.661 17.915 3.449 1.00 8.82 H new ATOM 606 N ASN A 46 14.690 16.006 8.557 1.00 9.67 N ATOM 607 CA ASN A 46 14.184 15.593 9.865 1.00 9.86 C ATOM 608 C ASN A 46 13.192 14.460 9.641 1.00 8.96 C ATOM 609 O ASN A 46 11.997 14.561 9.917 1.00 9.31 O ATOM 610 CB ASN A 46 13.576 16.772 10.623 1.00 11.24 C ATOM 611 CG ASN A 46 13.077 16.421 12.000 1.00 11.76 C ATOM 612 OD1 ASN A 46 11.883 16.199 12.215 1.00 11.96 O ATOM 613 ND2 ASN A 46 13.986 16.391 12.945 1.00 12.13 N ATOM 0 H ASN A 46 15.650 15.712 8.376 1.00 9.67 H new ATOM 0 HA ASN A 46 14.997 15.235 10.496 1.00 9.86 H new ATOM 0 HB2 ASN A 46 14.324 17.561 10.708 1.00 11.24 H new ATOM 0 HB3 ASN A 46 12.749 17.178 10.040 1.00 11.24 H new ATOM 0 HD21 ASN A 46 13.717 16.177 13.905 1.00 12.13 H new ATOM 0 HD22 ASN A 46 14.962 16.581 12.720 1.00 12.13 H new ATOM 620 N TYR A 47 13.729 13.391 9.072 1.00 7.78 N ATOM 621 CA TYR A 47 12.965 12.206 8.728 1.00 6.85 C ATOM 622 C TYR A 47 12.542 11.398 9.943 1.00 7.42 C ATOM 623 O TYR A 47 13.354 11.081 10.812 1.00 8.24 O ATOM 624 CB TYR A 47 13.792 11.303 7.813 1.00 5.81 C ATOM 625 CG TYR A 47 13.130 9.963 7.546 1.00 4.75 C ATOM 626 CD1 TYR A 47 11.895 9.885 6.915 1.00 4.55 C ATOM 627 CD2 TYR A 47 13.731 8.777 7.950 1.00 4.23 C ATOM 628 CE1 TYR A 47 11.287 8.667 6.689 1.00 3.81 C ATOM 629 CE2 TYR A 47 13.126 7.559 7.727 1.00 3.38 C ATOM 630 CZ TYR A 47 11.907 7.509 7.097 1.00 3.10 C ATOM 631 OH TYR A 47 11.304 6.295 6.875 1.00 2.58 O ATOM 0 H TYR A 47 14.719 13.323 8.834 1.00 7.78 H new ATOM 0 HA TYR A 47 12.063 12.556 8.227 1.00 6.85 H new ATOM 0 HB2 TYR A 47 13.962 11.813 6.865 1.00 5.81 H new ATOM 0 HB3 TYR A 47 14.770 11.135 8.264 1.00 5.81 H new ATOM 0 HD1 TYR A 47 11.403 10.792 6.596 1.00 4.55 H new ATOM 0 HD2 TYR A 47 14.689 8.810 8.447 1.00 4.23 H new ATOM 0 HE1 TYR A 47 10.328 8.623 6.194 1.00 3.81 H new ATOM 0 HE2 TYR A 47 13.609 6.647 8.047 1.00 3.38 H new ATOM 0 HH TYR A 47 10.447 6.434 6.421 1.00 2.58 H new ATOM 641 N ILE A 48 11.266 11.064 9.976 1.00 7.07 N ATOM 642 CA ILE A 48 10.698 10.241 11.024 1.00 7.67 C ATOM 643 C ILE A 48 9.709 9.275 10.386 1.00 6.96 C ATOM 644 O ILE A 48 8.696 9.699 9.827 1.00 6.70 O ATOM 645 CB ILE A 48 9.993 11.076 12.115 1.00 8.58 C ATOM 646 CG1 ILE A 48 11.008 12.028 12.772 1.00 8.92 C ATOM 647 CG2 ILE A 48 9.342 10.156 13.147 1.00 9.60 C ATOM 648 CD1 ILE A 48 10.813 12.229 14.258 1.00 10.05 C ATOM 0 H ILE A 48 10.591 11.359 9.271 1.00 7.07 H new ATOM 0 HA ILE A 48 11.507 9.703 11.518 1.00 7.67 H new ATOM 0 HB ILE A 48 9.203 11.676 11.662 1.00 8.58 H new ATOM 0 HG12 ILE A 48 12.013 11.642 12.600 1.00 8.92 H new ATOM 0 HG13 ILE A 48 10.950 12.997 12.277 1.00 8.92 H new ATOM 0 HG21 ILE A 48 8.848 10.757 13.911 1.00 9.60 H new ATOM 0 HG22 ILE A 48 8.607 9.520 12.655 1.00 9.60 H new ATOM 0 HG23 ILE A 48 10.106 9.534 13.613 1.00 9.60 H new ATOM 0 HD11 ILE A 48 11.572 12.914 14.635 1.00 10.05 H new ATOM 0 HD12 ILE A 48 9.823 12.647 14.442 1.00 10.05 H new ATOM 0 HD13 ILE A 48 10.902 11.271 14.770 1.00 10.05 H new ATOM 652 N PRO A 49 9.996 7.971 10.436 1.00 6.87 N ATOM 653 CA PRO A 49 9.132 6.960 9.838 1.00 6.51 C ATOM 654 C PRO A 49 7.868 6.746 10.650 1.00 5.27 C ATOM 655 O PRO A 49 7.725 7.291 11.746 1.00 5.24 O ATOM 656 CB PRO A 49 9.995 5.700 9.833 1.00 6.99 C ATOM 657 CG PRO A 49 10.987 5.894 10.928 1.00 7.01 C ATOM 658 CD PRO A 49 11.167 7.382 11.112 1.00 7.36 C ATOM 0 HA PRO A 49 8.789 7.248 8.844 1.00 6.51 H new ATOM 0 HB2 PRO A 49 9.390 4.809 10.004 1.00 6.99 H new ATOM 0 HB3 PRO A 49 10.492 5.568 8.872 1.00 6.99 H new ATOM 0 HG2 PRO A 49 10.636 5.432 11.851 1.00 7.01 H new ATOM 0 HG3 PRO A 49 11.936 5.420 10.675 1.00 7.01 H new ATOM 0 HD2 PRO A 49 11.196 7.653 12.167 1.00 7.36 H new ATOM 0 HD3 PRO A 49 12.100 7.729 10.668 1.00 7.36 H new ATOM 666 N ASN A 50 6.941 5.963 10.124 1.00 4.55 N ATOM 667 CA ASN A 50 5.707 5.690 10.815 1.00 3.45 C ATOM 668 C ASN A 50 5.699 4.232 11.233 1.00 3.10 C ATOM 669 O ASN A 50 5.861 3.340 10.398 1.00 2.62 O ATOM 670 CB ASN A 50 4.521 6.009 9.900 1.00 3.29 C ATOM 671 CG ASN A 50 4.090 7.452 9.995 1.00 3.62 C ATOM 672 OD1 ASN A 50 4.221 8.091 11.038 1.00 4.20 O ATOM 673 ND2 ASN A 50 3.574 7.979 8.903 1.00 3.84 N ATOM 0 H ASN A 50 7.027 5.507 9.216 1.00 4.55 H new ATOM 0 HA ASN A 50 5.622 6.315 11.704 1.00 3.45 H new ATOM 0 HB2 ASN A 50 4.790 5.781 8.869 1.00 3.29 H new ATOM 0 HB3 ASN A 50 3.681 5.364 10.161 1.00 3.29 H new ATOM 0 HD21 ASN A 50 3.266 8.951 8.902 1.00 3.84 H new ATOM 0 HD22 ASN A 50 3.483 7.415 8.058 1.00 3.84 H new ATOM 680 N ARG A 51 5.508 3.993 12.517 1.00 3.89 N ATOM 681 CA ARG A 51 5.524 2.643 13.066 1.00 4.34 C ATOM 682 C ARG A 51 4.493 1.731 12.414 1.00 3.81 C ATOM 683 O ARG A 51 4.712 0.531 12.312 1.00 4.28 O ATOM 684 CB ARG A 51 5.294 2.676 14.575 1.00 5.51 C ATOM 685 CG ARG A 51 6.463 2.137 15.379 1.00 6.26 C ATOM 686 CD ARG A 51 7.581 3.165 15.504 1.00 6.58 C ATOM 687 NE ARG A 51 8.751 2.837 14.686 1.00 7.49 N ATOM 688 CZ ARG A 51 9.990 3.261 14.955 1.00 8.15 C ATOM 689 NH1 ARG A 51 10.215 4.054 15.997 1.00 8.03 N ATOM 690 NH2 ARG A 51 10.995 2.906 14.167 1.00 9.09 N ATOM 0 H ARG A 51 5.338 4.723 13.209 1.00 3.89 H new ATOM 0 HA ARG A 51 6.510 2.232 12.850 1.00 4.34 H new ATOM 0 HB2 ARG A 51 5.096 3.703 14.882 1.00 5.51 H new ATOM 0 HB3 ARG A 51 4.403 2.095 14.811 1.00 5.51 H new ATOM 0 HG2 ARG A 51 6.120 1.850 16.373 1.00 6.26 H new ATOM 0 HG3 ARG A 51 6.848 1.236 14.902 1.00 6.26 H new ATOM 0 HD2 ARG A 51 7.202 4.144 15.211 1.00 6.58 H new ATOM 0 HD3 ARG A 51 7.884 3.240 16.548 1.00 6.58 H new ATOM 0 HE ARG A 51 8.612 2.251 13.863 1.00 7.49 H new ATOM 0 HH11 ARG A 51 9.441 4.342 16.596 1.00 8.03 H new ATOM 0 HH12 ARG A 51 11.162 4.375 16.198 1.00 8.03 H new ATOM 0 HH21 ARG A 51 10.822 2.310 13.357 1.00 9.09 H new ATOM 0 HH22 ARG A 51 11.941 3.228 14.370 1.00 9.09 H new ATOM 704 N CYS A 52 3.403 2.297 11.926 1.00 3.19 N ATOM 705 CA CYS A 52 2.341 1.506 11.326 1.00 2.95 C ATOM 706 C CYS A 52 2.684 1.112 9.913 1.00 2.88 C ATOM 707 O CYS A 52 2.236 0.084 9.414 1.00 3.71 O ATOM 708 CB CYS A 52 1.065 2.312 11.326 1.00 2.58 C ATOM 709 SG CYS A 52 -0.399 1.385 11.879 1.00 2.86 S ATOM 0 H CYS A 52 3.229 3.302 11.933 1.00 3.19 H new ATOM 0 HA CYS A 52 2.215 0.595 11.912 1.00 2.95 H new ATOM 0 HB2 CYS A 52 1.197 3.181 11.971 1.00 2.58 H new ATOM 0 HB3 CYS A 52 0.885 2.687 10.319 1.00 2.58 H new ATOM 714 N ALA A 53 3.502 1.921 9.286 1.00 2.29 N ATOM 715 CA ALA A 53 3.905 1.637 7.933 1.00 2.63 C ATOM 716 C ALA A 53 4.928 0.520 7.989 1.00 3.31 C ATOM 717 O ALA A 53 4.974 -0.360 7.137 1.00 4.21 O ATOM 718 CB ALA A 53 4.461 2.872 7.255 1.00 2.26 C ATOM 0 H ALA A 53 3.898 2.772 9.686 1.00 2.29 H new ATOM 0 HA ALA A 53 3.047 1.327 7.337 1.00 2.63 H new ATOM 0 HB1 ALA A 53 4.756 2.625 6.235 1.00 2.26 H new ATOM 0 HB2 ALA A 53 3.698 3.650 7.234 1.00 2.26 H new ATOM 0 HB3 ALA A 53 5.329 3.231 7.808 1.00 2.26 H new ATOM 724 N GLN A 54 5.724 0.567 9.053 1.00 3.34 N ATOM 725 CA GLN A 54 6.747 -0.415 9.314 1.00 4.41 C ATOM 726 C GLN A 54 6.118 -1.719 9.787 1.00 5.45 C ATOM 727 O GLN A 54 6.577 -2.800 9.439 1.00 6.36 O ATOM 728 CB GLN A 54 7.678 0.115 10.392 1.00 4.66 C ATOM 729 CG GLN A 54 8.354 1.415 10.018 1.00 3.96 C ATOM 730 CD GLN A 54 9.621 1.626 10.787 1.00 3.99 C ATOM 731 OE1 GLN A 54 9.615 2.178 11.885 1.00 4.81 O ATOM 732 NE2 GLN A 54 10.713 1.178 10.222 1.00 3.29 N ATOM 0 H GLN A 54 5.669 1.300 9.760 1.00 3.34 H new ATOM 0 HA GLN A 54 7.305 -0.605 8.397 1.00 4.41 H new ATOM 0 HB2 GLN A 54 7.111 0.261 11.311 1.00 4.66 H new ATOM 0 HB3 GLN A 54 8.441 -0.635 10.603 1.00 4.66 H new ATOM 0 HG2 GLN A 54 8.573 1.416 8.950 1.00 3.96 H new ATOM 0 HG3 GLN A 54 7.673 2.245 10.205 1.00 3.96 H new ATOM 0 HE21 GLN A 54 10.666 0.727 9.309 1.00 3.29 H new ATOM 0 HE22 GLN A 54 11.611 1.280 10.695 1.00 3.29 H new ATOM 739 N GLN A 55 5.065 -1.600 10.593 1.00 5.39 N ATOM 740 CA GLN A 55 4.384 -2.762 11.126 1.00 6.43 C ATOM 741 C GLN A 55 3.675 -3.502 10.012 1.00 6.63 C ATOM 742 O GLN A 55 3.694 -4.731 9.954 1.00 7.65 O ATOM 743 CB GLN A 55 3.405 -2.339 12.217 1.00 6.55 C ATOM 744 CG GLN A 55 4.057 -2.099 13.569 1.00 6.70 C ATOM 745 CD GLN A 55 5.361 -2.848 13.739 1.00 7.86 C ATOM 746 OE1 GLN A 55 5.394 -3.988 14.204 1.00 7.98 O ATOM 747 NE2 GLN A 55 6.442 -2.203 13.354 1.00 8.84 N ATOM 0 H GLN A 55 4.670 -0.707 10.887 1.00 5.39 H new ATOM 0 HA GLN A 55 5.115 -3.437 11.570 1.00 6.43 H new ATOM 0 HB2 GLN A 55 2.897 -1.427 11.902 1.00 6.55 H new ATOM 0 HB3 GLN A 55 2.641 -3.109 12.324 1.00 6.55 H new ATOM 0 HG2 GLN A 55 4.239 -1.032 13.694 1.00 6.70 H new ATOM 0 HG3 GLN A 55 3.367 -2.399 14.357 1.00 6.70 H new ATOM 0 HE21 GLN A 55 6.365 -1.259 12.975 1.00 8.84 H new ATOM 0 HE22 GLN A 55 7.357 -2.647 13.435 1.00 8.84 H new ATOM 754 N LEU A 56 3.035 -2.746 9.139 1.00 5.82 N ATOM 755 CA LEU A 56 2.342 -3.327 8.004 1.00 6.26 C ATOM 756 C LEU A 56 3.327 -3.943 7.010 1.00 7.28 C ATOM 757 O LEU A 56 3.316 -5.148 6.752 1.00 8.06 O ATOM 758 CB LEU A 56 1.542 -2.225 7.306 1.00 5.52 C ATOM 759 CG LEU A 56 0.333 -2.703 6.527 1.00 5.69 C ATOM 760 CD1 LEU A 56 -0.548 -3.500 7.447 1.00 5.59 C ATOM 761 CD2 LEU A 56 -0.429 -1.529 5.943 1.00 5.39 C ATOM 0 H LEU A 56 2.981 -1.729 9.194 1.00 5.82 H new ATOM 0 HA LEU A 56 1.682 -4.118 8.361 1.00 6.26 H new ATOM 0 HB2 LEU A 56 1.211 -1.507 8.056 1.00 5.52 H new ATOM 0 HB3 LEU A 56 2.206 -1.691 6.626 1.00 5.52 H new ATOM 0 HG LEU A 56 0.659 -3.329 5.697 1.00 5.69 H new ATOM 0 HD11 LEU A 56 -1.423 -3.851 6.900 1.00 5.59 H new ATOM 0 HD12 LEU A 56 0.007 -4.356 7.831 1.00 5.59 H new ATOM 0 HD13 LEU A 56 -0.868 -2.872 8.279 1.00 5.59 H new ATOM 0 HD21 LEU A 56 -1.293 -1.896 5.388 1.00 5.39 H new ATOM 0 HD22 LEU A 56 -0.766 -0.877 6.749 1.00 5.39 H new ATOM 0 HD23 LEU A 56 0.223 -0.970 5.272 1.00 5.39 H new ATOM 767 N ALA A 57 4.176 -3.084 6.483 1.00 7.34 N ATOM 768 CA ALA A 57 5.186 -3.478 5.505 1.00 8.24 C ATOM 769 C ALA A 57 6.129 -4.548 6.037 1.00 9.32 C ATOM 770 O ALA A 57 6.619 -5.380 5.278 1.00 10.11 O ATOM 771 CB ALA A 57 5.974 -2.269 5.029 1.00 8.30 C ATOM 0 H ALA A 57 4.190 -2.091 6.717 1.00 7.34 H new ATOM 0 HA ALA A 57 4.652 -3.912 4.660 1.00 8.24 H new ATOM 0 HB1 ALA A 57 6.721 -2.585 4.301 1.00 8.30 H new ATOM 0 HB2 ALA A 57 5.296 -1.552 4.565 1.00 8.30 H new ATOM 0 HB3 ALA A 57 6.471 -1.801 5.879 1.00 8.30 H new ATOM 777 N GLY A 58 6.363 -4.547 7.336 1.00 9.47 N ATOM 778 CA GLY A 58 7.257 -5.524 7.922 1.00 10.56 C ATOM 779 C GLY A 58 6.625 -6.894 8.052 1.00 11.35 C ATOM 780 O GLY A 58 7.314 -7.880 8.311 1.00 12.26 O ATOM 0 H GLY A 58 5.951 -3.889 7.997 1.00 9.47 H new ATOM 0 HA2 GLY A 58 8.156 -5.600 7.310 1.00 10.56 H new ATOM 0 HA3 GLY A 58 7.570 -5.178 8.907 1.00 10.56 H new ATOM 784 N LYS A 59 5.314 -6.959 7.854 1.00 11.16 N ATOM 785 CA LYS A 59 4.584 -8.210 7.964 1.00 12.06 C ATOM 786 C LYS A 59 4.584 -8.982 6.643 1.00 12.61 C ATOM 787 O LYS A 59 3.984 -10.054 6.540 1.00 13.49 O ATOM 788 CB LYS A 59 3.148 -7.946 8.406 1.00 12.17 C ATOM 789 CG LYS A 59 2.508 -9.130 9.114 1.00 13.28 C ATOM 790 CD LYS A 59 1.014 -9.211 8.850 1.00 13.70 C ATOM 791 CE LYS A 59 0.720 -9.734 7.450 1.00 13.92 C ATOM 792 NZ LYS A 59 1.205 -11.127 7.251 1.00 14.63 N ATOM 0 H LYS A 59 4.735 -6.154 7.615 1.00 11.16 H new ATOM 0 HA LYS A 59 5.090 -8.820 8.712 1.00 12.06 H new ATOM 0 HB2 LYS A 59 3.133 -7.083 9.071 1.00 12.17 H new ATOM 0 HB3 LYS A 59 2.549 -7.686 7.533 1.00 12.17 H new ATOM 0 HG2 LYS A 59 2.985 -10.052 8.782 1.00 13.28 H new ATOM 0 HG3 LYS A 59 2.683 -9.049 10.187 1.00 13.28 H new ATOM 0 HD2 LYS A 59 0.548 -9.864 9.588 1.00 13.70 H new ATOM 0 HD3 LYS A 59 0.568 -8.224 8.971 1.00 13.70 H new ATOM 0 HE2 LYS A 59 -0.354 -9.697 7.270 1.00 13.92 H new ATOM 0 HE3 LYS A 59 1.189 -9.080 6.715 1.00 13.92 H new ATOM 0 HZ1 LYS A 59 0.648 -11.585 6.501 1.00 14.63 H new ATOM 0 HZ2 LYS A 59 2.208 -11.109 6.976 1.00 14.63 H new ATOM 0 HZ3 LYS A 59 1.098 -11.662 8.137 1.00 14.63 H new ATOM 888 N PRO B 103 -4.440 -13.895 6.654 1.00 3.93 N ATOM 889 CA PRO B 103 -5.605 -14.522 7.283 1.00 3.60 C ATOM 890 C PRO B 103 -6.893 -14.042 6.632 1.00 3.24 C ATOM 891 O PRO B 103 -6.874 -13.561 5.491 1.00 3.27 O ATOM 892 CB PRO B 103 -5.553 -14.033 8.734 1.00 3.69 C ATOM 893 CG PRO B 103 -4.267 -13.288 8.884 1.00 4.16 C ATOM 894 CD PRO B 103 -3.863 -12.850 7.506 1.00 4.23 C ATOM 0 HA PRO B 103 -5.587 -15.608 7.191 1.00 3.60 H new ATOM 0 HB2 PRO B 103 -6.403 -13.388 8.957 1.00 3.69 H new ATOM 0 HB3 PRO B 103 -5.599 -14.872 9.428 1.00 3.69 H new ATOM 0 HG2 PRO B 103 -4.391 -12.429 9.543 1.00 4.16 H new ATOM 0 HG3 PRO B 103 -3.501 -13.923 9.329 1.00 4.16 H new ATOM 0 HD2 PRO B 103 -4.259 -11.864 7.262 1.00 4.23 H new ATOM 0 HD3 PRO B 103 -2.780 -12.794 7.400 1.00 4.23 H new ATOM 902 N VAL B 104 -8.012 -14.177 7.337 1.00 2.99 N ATOM 903 CA VAL B 104 -9.274 -13.698 6.811 1.00 2.67 C ATOM 904 C VAL B 104 -9.162 -12.205 6.636 1.00 2.45 C ATOM 905 O VAL B 104 -8.587 -11.517 7.479 1.00 2.61 O ATOM 906 CB VAL B 104 -10.466 -13.966 7.729 1.00 2.51 C ATOM 907 CG1 VAL B 104 -11.765 -13.772 6.979 1.00 2.07 C ATOM 908 CG2 VAL B 104 -10.398 -15.348 8.352 1.00 3.04 C ATOM 0 H VAL B 104 -8.066 -14.608 8.260 1.00 2.99 H new ATOM 0 HA VAL B 104 -9.456 -14.231 5.878 1.00 2.67 H new ATOM 0 HB VAL B 104 -10.426 -13.244 8.545 1.00 2.51 H new ATOM 0 HG11 VAL B 104 -12.604 -13.967 7.647 1.00 2.07 H new ATOM 0 HG12 VAL B 104 -11.824 -12.747 6.612 1.00 2.07 H new ATOM 0 HG13 VAL B 104 -11.805 -14.462 6.136 1.00 2.07 H new ATOM 0 HG21 VAL B 104 -11.263 -15.499 8.997 1.00 3.04 H new ATOM 0 HG22 VAL B 104 -10.396 -16.102 7.565 1.00 3.04 H new ATOM 0 HG23 VAL B 104 -9.486 -15.437 8.942 1.00 3.04 H new ATOM 912 N THR B 105 -9.730 -11.695 5.582 1.00 2.19 N ATOM 913 CA THR B 105 -9.614 -10.275 5.321 1.00 2.02 C ATOM 914 C THR B 105 -10.848 -9.737 4.626 1.00 1.76 C ATOM 915 O THR B 105 -11.775 -10.490 4.331 1.00 1.76 O ATOM 916 CB THR B 105 -8.366 -9.979 4.466 1.00 2.29 C ATOM 917 OG1 THR B 105 -8.265 -10.949 3.414 1.00 2.46 O ATOM 918 CG2 THR B 105 -7.091 -9.992 5.312 1.00 2.83 C ATOM 0 H THR B 105 -10.270 -12.222 4.896 1.00 2.19 H new ATOM 0 HA THR B 105 -9.516 -9.774 6.284 1.00 2.02 H new ATOM 0 HB THR B 105 -8.473 -8.981 4.040 1.00 2.29 H new ATOM 0 HG1 THR B 105 -8.916 -11.666 3.566 1.00 2.46 H new ATOM 0 HG21 THR B 105 -6.231 -9.780 4.677 1.00 2.83 H new ATOM 0 HG22 THR B 105 -7.163 -9.233 6.091 1.00 2.83 H new ATOM 0 HG23 THR B 105 -6.969 -10.973 5.772 1.00 2.83 H new ATOM 923 N LEU B 106 -10.839 -8.437 4.339 1.00 1.62 N ATOM 924 CA LEU B 106 -11.980 -7.820 3.681 1.00 1.43 C ATOM 925 C LEU B 106 -12.110 -8.361 2.276 1.00 1.57 C ATOM 926 O LEU B 106 -13.197 -8.392 1.731 1.00 1.51 O ATOM 927 CB LEU B 106 -11.922 -6.287 3.641 1.00 1.45 C ATOM 928 CG LEU B 106 -10.608 -5.633 4.041 1.00 1.66 C ATOM 929 CD1 LEU B 106 -9.658 -5.567 2.860 1.00 2.20 C ATOM 930 CD2 LEU B 106 -10.867 -4.240 4.585 1.00 2.26 C ATOM 0 H LEU B 106 -10.068 -7.803 4.548 1.00 1.62 H new ATOM 0 HA LEU B 106 -12.854 -8.077 4.279 1.00 1.43 H new ATOM 0 HB2 LEU B 106 -12.165 -5.966 2.628 1.00 1.45 H new ATOM 0 HB3 LEU B 106 -12.705 -5.902 4.295 1.00 1.45 H new ATOM 0 HG LEU B 106 -10.143 -6.238 4.819 1.00 1.66 H new ATOM 0 HD11 LEU B 106 -8.725 -5.096 3.169 1.00 2.20 H new ATOM 0 HD12 LEU B 106 -9.453 -6.576 2.501 1.00 2.20 H new ATOM 0 HD13 LEU B 106 -10.112 -4.982 2.060 1.00 2.20 H new ATOM 0 HD21 LEU B 106 -9.921 -3.779 4.869 1.00 2.26 H new ATOM 0 HD22 LEU B 106 -11.350 -3.634 3.819 1.00 2.26 H new ATOM 0 HD23 LEU B 106 -11.516 -4.305 5.459 1.00 2.26 H new ATOM 936 N TYR B 107 -10.997 -8.814 1.712 1.00 1.84 N ATOM 937 CA TYR B 107 -10.990 -9.379 0.377 1.00 2.08 C ATOM 938 C TYR B 107 -11.813 -10.653 0.356 1.00 2.14 C ATOM 939 O TYR B 107 -12.574 -10.907 -0.578 1.00 2.25 O ATOM 940 CB TYR B 107 -9.558 -9.717 -0.048 1.00 2.41 C ATOM 941 CG TYR B 107 -8.718 -8.535 -0.468 1.00 2.54 C ATOM 942 CD1 TYR B 107 -8.698 -8.102 -1.785 1.00 2.95 C ATOM 943 CD2 TYR B 107 -7.919 -7.870 0.453 1.00 2.48 C ATOM 944 CE1 TYR B 107 -7.910 -7.036 -2.173 1.00 3.16 C ATOM 945 CE2 TYR B 107 -7.126 -6.808 0.074 1.00 2.66 C ATOM 946 CZ TYR B 107 -7.126 -6.394 -1.240 1.00 2.95 C ATOM 947 OH TYR B 107 -6.335 -5.336 -1.622 1.00 3.21 O ATOM 0 H TYR B 107 -10.084 -8.799 2.166 1.00 1.84 H new ATOM 0 HA TYR B 107 -11.413 -8.647 -0.310 1.00 2.08 H new ATOM 0 HB2 TYR B 107 -9.059 -10.221 0.780 1.00 2.41 H new ATOM 0 HB3 TYR B 107 -9.599 -10.426 -0.875 1.00 2.41 H new ATOM 0 HD1 TYR B 107 -9.308 -8.606 -2.519 1.00 2.95 H new ATOM 0 HD2 TYR B 107 -7.919 -8.191 1.484 1.00 2.48 H new ATOM 0 HE1 TYR B 107 -7.909 -6.708 -3.202 1.00 3.16 H new ATOM 0 HE2 TYR B 107 -6.509 -6.304 0.803 1.00 2.66 H new ATOM 0 HH TYR B 107 -5.846 -4.995 -0.844 1.00 3.21 H new ATOM 957 N ASP B 108 -11.664 -11.430 1.416 1.00 2.13 N ATOM 958 CA ASP B 108 -12.336 -12.700 1.562 1.00 2.26 C ATOM 959 C ASP B 108 -13.819 -12.509 1.759 1.00 1.98 C ATOM 960 O ASP B 108 -14.625 -13.087 1.034 1.00 2.08 O ATOM 961 CB ASP B 108 -11.726 -13.451 2.749 1.00 2.44 C ATOM 962 CG ASP B 108 -10.317 -13.940 2.471 1.00 3.03 C ATOM 963 OD1 ASP B 108 -10.143 -14.819 1.599 1.00 3.15 O ATOM 964 OD2 ASP B 108 -9.371 -13.444 3.125 1.00 3.58 O ATOM 0 H ASP B 108 -11.065 -11.189 2.206 1.00 2.13 H new ATOM 0 HA ASP B 108 -12.201 -13.284 0.651 1.00 2.26 H new ATOM 0 HB2 ASP B 108 -11.714 -12.796 3.620 1.00 2.44 H new ATOM 0 HB3 ASP B 108 -12.359 -14.302 2.999 1.00 2.44 H new ATOM 969 N VAL B 109 -14.190 -11.699 2.733 1.00 1.68 N ATOM 970 CA VAL B 109 -15.594 -11.466 2.980 1.00 1.42 C ATOM 971 C VAL B 109 -16.225 -10.677 1.833 1.00 1.35 C ATOM 972 O VAL B 109 -17.422 -10.781 1.600 1.00 1.34 O ATOM 973 CB VAL B 109 -15.876 -10.831 4.370 1.00 1.19 C ATOM 974 CG1 VAL B 109 -14.630 -10.787 5.239 1.00 1.37 C ATOM 975 CG2 VAL B 109 -16.500 -9.453 4.265 1.00 1.54 C ATOM 0 H VAL B 109 -13.551 -11.202 3.353 1.00 1.68 H new ATOM 0 HA VAL B 109 -16.077 -12.443 3.014 1.00 1.42 H new ATOM 0 HB VAL B 109 -16.603 -11.483 4.853 1.00 1.19 H new ATOM 0 HG11 VAL B 109 -14.873 -10.336 6.201 1.00 1.37 H new ATOM 0 HG12 VAL B 109 -14.260 -11.800 5.397 1.00 1.37 H new ATOM 0 HG13 VAL B 109 -13.862 -10.193 4.744 1.00 1.37 H new ATOM 0 HG21 VAL B 109 -16.676 -9.056 5.265 1.00 1.54 H new ATOM 0 HG22 VAL B 109 -15.826 -8.789 3.724 1.00 1.54 H new ATOM 0 HG23 VAL B 109 -17.447 -9.522 3.730 1.00 1.54 H new ATOM 979 N ALA B 110 -15.417 -9.911 1.105 1.00 1.43 N ATOM 980 CA ALA B 110 -15.918 -9.165 -0.049 1.00 1.57 C ATOM 981 C ALA B 110 -16.202 -10.143 -1.171 1.00 1.86 C ATOM 982 O ALA B 110 -17.151 -9.991 -1.938 1.00 1.97 O ATOM 983 CB ALA B 110 -14.925 -8.117 -0.514 1.00 1.73 C ATOM 0 H ALA B 110 -14.421 -9.790 1.290 1.00 1.43 H new ATOM 0 HA ALA B 110 -16.829 -8.642 0.241 1.00 1.57 H new ATOM 0 HB1 ALA B 110 -15.334 -7.584 -1.373 1.00 1.73 H new ATOM 0 HB2 ALA B 110 -14.736 -7.411 0.295 1.00 1.73 H new ATOM 0 HB3 ALA B 110 -13.991 -8.602 -0.798 1.00 1.73 H new ATOM 989 N GLU B 111 -15.371 -11.168 -1.226 1.00 2.03 N ATOM 990 CA GLU B 111 -15.483 -12.223 -2.211 1.00 2.36 C ATOM 991 C GLU B 111 -16.742 -13.023 -1.927 1.00 2.34 C ATOM 992 O GLU B 111 -17.513 -13.376 -2.821 1.00 2.59 O ATOM 993 CB GLU B 111 -14.248 -13.103 -2.114 1.00 2.62 C ATOM 994 CG GLU B 111 -13.407 -13.091 -3.374 1.00 3.04 C ATOM 995 CD GLU B 111 -13.945 -14.012 -4.443 1.00 3.49 C ATOM 996 OE1 GLU B 111 -13.669 -15.227 -4.379 1.00 3.91 O ATOM 997 OE2 GLU B 111 -14.640 -13.525 -5.353 1.00 3.62 O ATOM 0 H GLU B 111 -14.591 -11.291 -0.580 1.00 2.03 H new ATOM 0 HA GLU B 111 -15.549 -11.815 -3.219 1.00 2.36 H new ATOM 0 HB2 GLU B 111 -13.638 -12.770 -1.274 1.00 2.62 H new ATOM 0 HB3 GLU B 111 -14.555 -14.127 -1.899 1.00 2.62 H new ATOM 0 HG2 GLU B 111 -13.361 -12.075 -3.765 1.00 3.04 H new ATOM 0 HG3 GLU B 111 -12.387 -13.384 -3.128 1.00 3.04 H new ATOM 1004 N TYR B 112 -16.921 -13.273 -0.648 1.00 2.08 N ATOM 1005 CA TYR B 112 -18.056 -13.994 -0.107 1.00 2.09 C ATOM 1006 C TYR B 112 -19.342 -13.231 -0.353 1.00 1.93 C ATOM 1007 O TYR B 112 -20.291 -13.730 -0.955 1.00 2.13 O ATOM 1008 CB TYR B 112 -17.848 -14.088 1.384 1.00 1.99 C ATOM 1009 CG TYR B 112 -18.231 -15.397 2.015 1.00 2.31 C ATOM 1010 CD1 TYR B 112 -17.563 -16.573 1.709 1.00 2.34 C ATOM 1011 CD2 TYR B 112 -19.249 -15.442 2.946 1.00 2.64 C ATOM 1012 CE1 TYR B 112 -17.908 -17.761 2.322 1.00 2.67 C ATOM 1013 CE2 TYR B 112 -19.602 -16.615 3.558 1.00 2.96 C ATOM 1014 CZ TYR B 112 -18.931 -17.778 3.248 1.00 2.97 C ATOM 1015 OH TYR B 112 -19.276 -18.956 3.871 1.00 3.32 O ATOM 0 H TYR B 112 -16.260 -12.971 0.068 1.00 2.08 H new ATOM 0 HA TYR B 112 -18.132 -14.973 -0.580 1.00 2.09 H new ATOM 0 HB2 TYR B 112 -16.797 -13.897 1.598 1.00 1.99 H new ATOM 0 HB3 TYR B 112 -18.421 -13.294 1.863 1.00 1.99 H new ATOM 0 HD1 TYR B 112 -16.764 -16.559 0.983 1.00 2.34 H new ATOM 0 HD2 TYR B 112 -19.778 -14.534 3.197 1.00 2.64 H new ATOM 0 HE1 TYR B 112 -17.381 -18.671 2.078 1.00 2.67 H new ATOM 0 HE2 TYR B 112 -20.404 -16.629 4.281 1.00 2.96 H new ATOM 0 HH TYR B 112 -20.182 -18.879 4.237 1.00 3.32 H new ATOM 1025 N ALA B 113 -19.336 -12.012 0.149 1.00 1.63 N ATOM 1026 CA ALA B 113 -20.464 -11.115 0.049 1.00 1.55 C ATOM 1027 C ALA B 113 -20.815 -10.802 -1.402 1.00 1.73 C ATOM 1028 O ALA B 113 -21.944 -10.424 -1.707 1.00 1.87 O ATOM 1029 CB ALA B 113 -20.178 -9.844 0.832 1.00 1.29 C ATOM 0 H ALA B 113 -18.537 -11.614 0.643 1.00 1.63 H new ATOM 0 HA ALA B 113 -21.334 -11.610 0.481 1.00 1.55 H new ATOM 0 HB1 ALA B 113 -21.031 -9.169 0.755 1.00 1.29 H new ATOM 0 HB2 ALA B 113 -20.006 -10.093 1.879 1.00 1.29 H new ATOM 0 HB3 ALA B 113 -19.292 -9.357 0.424 1.00 1.29 H new ATOM 1035 N GLY B 114 -19.853 -10.976 -2.293 1.00 1.82 N ATOM 1036 CA GLY B 114 -20.092 -10.701 -3.692 1.00 2.08 C ATOM 1037 C GLY B 114 -20.006 -9.225 -3.981 1.00 2.12 C ATOM 1038 O GLY B 114 -20.787 -8.683 -4.762 1.00 2.49 O ATOM 0 H GLY B 114 -18.912 -11.302 -2.073 1.00 1.82 H new ATOM 0 HA2 GLY B 114 -19.363 -11.236 -4.300 1.00 2.08 H new ATOM 0 HA3 GLY B 114 -21.077 -11.073 -3.975 1.00 2.08 H new ATOM 1042 N VAL B 115 -19.039 -8.577 -3.351 1.00 1.87 N ATOM 1043 CA VAL B 115 -18.821 -7.151 -3.498 1.00 1.97 C ATOM 1044 C VAL B 115 -17.328 -6.878 -3.615 1.00 2.04 C ATOM 1045 O VAL B 115 -16.539 -7.796 -3.843 1.00 2.07 O ATOM 1046 CB VAL B 115 -19.376 -6.372 -2.285 1.00 1.78 C ATOM 1047 CG1 VAL B 115 -20.866 -6.555 -2.179 1.00 1.98 C ATOM 1048 CG2 VAL B 115 -18.721 -6.820 -0.990 1.00 1.43 C ATOM 0 H VAL B 115 -18.380 -9.031 -2.719 1.00 1.87 H new ATOM 0 HA VAL B 115 -19.343 -6.819 -4.395 1.00 1.97 H new ATOM 0 HB VAL B 115 -19.148 -5.318 -2.443 1.00 1.78 H new ATOM 0 HG11 VAL B 115 -21.241 -6.000 -1.319 1.00 1.98 H new ATOM 0 HG12 VAL B 115 -21.344 -6.185 -3.086 1.00 1.98 H new ATOM 0 HG13 VAL B 115 -21.095 -7.613 -2.055 1.00 1.98 H new ATOM 0 HG21 VAL B 115 -19.135 -6.251 -0.157 1.00 1.43 H new ATOM 0 HG22 VAL B 115 -18.911 -7.882 -0.834 1.00 1.43 H new ATOM 0 HG23 VAL B 115 -17.646 -6.649 -1.048 1.00 1.43 H new ATOM 1052 N SER B 116 -16.945 -5.625 -3.462 1.00 2.14 N ATOM 1053 CA SER B 116 -15.547 -5.264 -3.516 1.00 2.22 C ATOM 1054 C SER B 116 -15.047 -5.011 -2.105 1.00 1.95 C ATOM 1055 O SER B 116 -15.824 -5.052 -1.143 1.00 1.73 O ATOM 1056 CB SER B 116 -15.330 -4.029 -4.389 1.00 2.55 C ATOM 1057 OG SER B 116 -15.712 -2.844 -3.710 1.00 2.98 O ATOM 0 H SER B 116 -17.582 -4.845 -3.300 1.00 2.14 H new ATOM 0 HA SER B 116 -14.986 -6.084 -3.963 1.00 2.22 H new ATOM 0 HB2 SER B 116 -14.280 -3.964 -4.676 1.00 2.55 H new ATOM 0 HB3 SER B 116 -15.907 -4.125 -5.309 1.00 2.55 H new ATOM 0 HG SER B 116 -16.556 -2.997 -3.235 1.00 2.98 H new ATOM 1063 N VAL B 117 -13.768 -4.723 -1.975 1.00 2.03 N ATOM 1064 CA VAL B 117 -13.190 -4.454 -0.683 1.00 1.86 C ATOM 1065 C VAL B 117 -13.612 -3.084 -0.215 1.00 1.85 C ATOM 1066 O VAL B 117 -13.511 -2.753 0.965 1.00 1.67 O ATOM 1067 CB VAL B 117 -11.668 -4.560 -0.734 1.00 2.11 C ATOM 1068 CG1 VAL B 117 -11.303 -5.969 -1.117 1.00 2.70 C ATOM 1069 CG2 VAL B 117 -11.066 -3.554 -1.710 1.00 2.38 C ATOM 0 H VAL B 117 -13.111 -4.670 -2.753 1.00 2.03 H new ATOM 0 HA VAL B 117 -13.551 -5.200 0.025 1.00 1.86 H new ATOM 0 HB VAL B 117 -11.258 -4.324 0.248 1.00 2.11 H new ATOM 0 HG11 VAL B 117 -10.218 -6.065 -1.159 1.00 2.70 H new ATOM 0 HG12 VAL B 117 -11.700 -6.662 -0.376 1.00 2.70 H new ATOM 0 HG13 VAL B 117 -11.726 -6.202 -2.094 1.00 2.70 H new ATOM 0 HG21 VAL B 117 -9.981 -3.660 -1.719 1.00 2.38 H new ATOM 0 HG22 VAL B 117 -11.457 -3.739 -2.711 1.00 2.38 H new ATOM 0 HG23 VAL B 117 -11.329 -2.543 -1.399 1.00 2.38 H new ATOM 1073 N ALA B 118 -14.113 -2.304 -1.157 1.00 2.11 N ATOM 1074 CA ALA B 118 -14.580 -0.980 -0.862 1.00 2.23 C ATOM 1075 C ALA B 118 -15.900 -1.071 -0.137 1.00 2.07 C ATOM 1076 O ALA B 118 -16.161 -0.299 0.778 1.00 2.12 O ATOM 1077 CB ALA B 118 -14.719 -0.161 -2.129 1.00 2.61 C ATOM 0 H ALA B 118 -14.203 -2.576 -2.136 1.00 2.11 H new ATOM 0 HA ALA B 118 -13.852 -0.478 -0.225 1.00 2.23 H new ATOM 0 HB1 ALA B 118 -15.074 0.839 -1.879 1.00 2.61 H new ATOM 0 HB2 ALA B 118 -13.750 -0.089 -2.624 1.00 2.61 H new ATOM 0 HB3 ALA B 118 -15.432 -0.643 -2.797 1.00 2.61 H new ATOM 1083 N THR B 119 -16.723 -2.043 -0.528 1.00 1.94 N ATOM 1084 CA THR B 119 -18.017 -2.236 0.094 1.00 1.84 C ATOM 1085 C THR B 119 -17.846 -2.700 1.534 1.00 1.51 C ATOM 1086 O THR B 119 -18.474 -2.183 2.457 1.00 1.51 O ATOM 1087 CB THR B 119 -18.837 -3.269 -0.694 1.00 1.93 C ATOM 1088 OG1 THR B 119 -18.388 -3.294 -2.056 1.00 2.18 O ATOM 1089 CG2 THR B 119 -20.316 -2.932 -0.651 1.00 2.17 C ATOM 0 H THR B 119 -16.510 -2.706 -1.274 1.00 1.94 H new ATOM 0 HA THR B 119 -18.549 -1.285 0.090 1.00 1.84 H new ATOM 0 HB THR B 119 -18.694 -4.249 -0.238 1.00 1.93 H new ATOM 0 HG1 THR B 119 -19.132 -3.062 -2.650 1.00 2.18 H new ATOM 0 HG21 THR B 119 -20.876 -3.678 -1.216 1.00 2.17 H new ATOM 0 HG22 THR B 119 -20.658 -2.928 0.384 1.00 2.17 H new ATOM 0 HG23 THR B 119 -20.478 -1.948 -1.090 1.00 2.17 H new ATOM 1094 N VAL B 120 -16.979 -3.680 1.705 1.00 1.33 N ATOM 1095 CA VAL B 120 -16.683 -4.231 3.018 1.00 1.05 C ATOM 1096 C VAL B 120 -16.020 -3.198 3.910 1.00 1.07 C ATOM 1097 O VAL B 120 -16.354 -3.091 5.087 1.00 0.98 O ATOM 1098 CB VAL B 120 -15.806 -5.482 2.896 1.00 1.05 C ATOM 1099 CG1 VAL B 120 -15.323 -5.966 4.254 1.00 1.29 C ATOM 1100 CG2 VAL B 120 -16.603 -6.554 2.206 1.00 1.25 C ATOM 0 H VAL B 120 -16.461 -4.116 0.942 1.00 1.33 H new ATOM 0 HA VAL B 120 -17.628 -4.516 3.481 1.00 1.05 H new ATOM 0 HB VAL B 120 -14.917 -5.238 2.314 1.00 1.05 H new ATOM 0 HG11 VAL B 120 -14.705 -6.854 4.125 1.00 1.29 H new ATOM 0 HG12 VAL B 120 -14.736 -5.182 4.732 1.00 1.29 H new ATOM 0 HG13 VAL B 120 -16.182 -6.209 4.880 1.00 1.29 H new ATOM 0 HG21 VAL B 120 -15.995 -7.454 2.109 1.00 1.25 H new ATOM 0 HG22 VAL B 120 -17.494 -6.779 2.792 1.00 1.25 H new ATOM 0 HG23 VAL B 120 -16.898 -6.207 1.216 1.00 1.25 H new ATOM 1104 N SER B 121 -15.088 -2.440 3.351 1.00 1.32 N ATOM 1105 CA SER B 121 -14.416 -1.395 4.082 1.00 1.42 C ATOM 1106 C SER B 121 -15.443 -0.426 4.630 1.00 1.54 C ATOM 1107 O SER B 121 -15.266 0.100 5.710 1.00 1.64 O ATOM 1108 CB SER B 121 -13.423 -0.668 3.181 1.00 1.73 C ATOM 1109 OG SER B 121 -12.750 0.362 3.878 1.00 2.33 O ATOM 0 H SER B 121 -14.783 -2.537 2.383 1.00 1.32 H new ATOM 0 HA SER B 121 -13.861 -1.836 4.910 1.00 1.42 H new ATOM 0 HB2 SER B 121 -12.696 -1.380 2.790 1.00 1.73 H new ATOM 0 HB3 SER B 121 -13.948 -0.246 2.324 1.00 1.73 H new ATOM 0 HG SER B 121 -12.120 0.808 3.274 1.00 2.33 H new ATOM 1115 N ARG B 122 -16.529 -0.209 3.887 1.00 1.65 N ATOM 1116 CA ARG B 122 -17.582 0.674 4.345 1.00 1.87 C ATOM 1117 C ARG B 122 -18.193 0.123 5.608 1.00 1.69 C ATOM 1118 O ARG B 122 -18.302 0.830 6.590 1.00 1.81 O ATOM 1119 CB ARG B 122 -18.664 0.823 3.296 1.00 2.16 C ATOM 1120 CG ARG B 122 -18.172 1.397 1.982 1.00 2.54 C ATOM 1121 CD ARG B 122 -17.723 2.840 2.145 1.00 3.12 C ATOM 1122 NE ARG B 122 -17.497 3.503 0.858 1.00 3.54 N ATOM 1123 CZ ARG B 122 -17.152 4.785 0.733 1.00 4.20 C ATOM 1124 NH1 ARG B 122 -16.965 5.531 1.815 1.00 4.65 N ATOM 1125 NH2 ARG B 122 -16.987 5.323 -0.474 1.00 4.73 N ATOM 0 H ARG B 122 -16.694 -0.632 2.974 1.00 1.65 H new ATOM 0 HA ARG B 122 -17.143 1.653 4.536 1.00 1.87 H new ATOM 0 HB2 ARG B 122 -19.112 -0.153 3.110 1.00 2.16 H new ATOM 0 HB3 ARG B 122 -19.452 1.466 3.690 1.00 2.16 H new ATOM 0 HG2 ARG B 122 -17.343 0.796 1.607 1.00 2.54 H new ATOM 0 HG3 ARG B 122 -18.967 1.343 1.238 1.00 2.54 H new ATOM 0 HD2 ARG B 122 -18.477 3.391 2.707 1.00 3.12 H new ATOM 0 HD3 ARG B 122 -16.805 2.868 2.731 1.00 3.12 H new ATOM 0 HE ARG B 122 -17.610 2.951 0.008 1.00 3.54 H new ATOM 0 HH11 ARG B 122 -17.085 5.124 2.742 1.00 4.65 H new ATOM 0 HH12 ARG B 122 -16.701 6.512 1.719 1.00 4.65 H new ATOM 0 HH21 ARG B 122 -17.125 4.754 -1.309 1.00 4.73 H new ATOM 0 HH22 ARG B 122 -16.723 6.304 -0.563 1.00 4.73 H new ATOM 1139 N VAL B 123 -18.520 -1.163 5.584 1.00 1.48 N ATOM 1140 CA VAL B 123 -19.132 -1.819 6.731 1.00 1.43 C ATOM 1141 C VAL B 123 -18.134 -1.863 7.869 1.00 1.23 C ATOM 1142 O VAL B 123 -18.479 -1.619 9.028 1.00 1.39 O ATOM 1143 CB VAL B 123 -19.615 -3.235 6.402 1.00 1.43 C ATOM 1144 CG1 VAL B 123 -20.248 -3.870 7.627 1.00 2.11 C ATOM 1145 CG2 VAL B 123 -20.597 -3.199 5.241 1.00 1.71 C ATOM 0 H VAL B 123 -18.371 -1.773 4.780 1.00 1.48 H new ATOM 0 HA VAL B 123 -20.010 -1.241 7.019 1.00 1.43 H new ATOM 0 HB VAL B 123 -18.759 -3.842 6.106 1.00 1.43 H new ATOM 0 HG11 VAL B 123 -20.587 -4.876 7.381 1.00 2.11 H new ATOM 0 HG12 VAL B 123 -19.514 -3.921 8.431 1.00 2.11 H new ATOM 0 HG13 VAL B 123 -21.098 -3.269 7.950 1.00 2.11 H new ATOM 0 HG21 VAL B 123 -20.933 -4.211 5.017 1.00 1.71 H new ATOM 0 HG22 VAL B 123 -21.455 -2.583 5.509 1.00 1.71 H new ATOM 0 HG23 VAL B 123 -20.108 -2.777 4.363 1.00 1.71 H new ATOM 1149 N VAL B 124 -16.896 -2.171 7.523 1.00 1.01 N ATOM 1150 CA VAL B 124 -15.807 -2.188 8.472 1.00 0.97 C ATOM 1151 C VAL B 124 -15.653 -0.783 9.061 1.00 1.22 C ATOM 1152 O VAL B 124 -15.261 -0.600 10.215 1.00 1.41 O ATOM 1153 CB VAL B 124 -14.523 -2.624 7.733 1.00 0.84 C ATOM 1154 CG1 VAL B 124 -13.276 -2.187 8.442 1.00 1.19 C ATOM 1155 CG2 VAL B 124 -14.500 -4.118 7.541 1.00 0.77 C ATOM 0 H VAL B 124 -16.622 -2.416 6.572 1.00 1.01 H new ATOM 0 HA VAL B 124 -16.000 -2.888 9.285 1.00 0.97 H new ATOM 0 HB VAL B 124 -14.541 -2.131 6.761 1.00 0.84 H new ATOM 0 HG11 VAL B 124 -12.403 -2.519 7.880 1.00 1.19 H new ATOM 0 HG12 VAL B 124 -13.265 -1.100 8.521 1.00 1.19 H new ATOM 0 HG13 VAL B 124 -13.253 -2.624 9.440 1.00 1.19 H new ATOM 0 HG21 VAL B 124 -13.587 -4.404 7.018 1.00 0.77 H new ATOM 0 HG22 VAL B 124 -14.531 -4.610 8.513 1.00 0.77 H new ATOM 0 HG23 VAL B 124 -15.365 -4.423 6.952 1.00 0.77 H new ATOM 1159 N ASN B 125 -16.018 0.190 8.237 1.00 1.33 N ATOM 1160 CA ASN B 125 -15.967 1.601 8.598 1.00 1.62 C ATOM 1161 C ASN B 125 -17.322 2.094 9.082 1.00 1.85 C ATOM 1162 O ASN B 125 -17.641 3.280 8.948 1.00 2.18 O ATOM 1163 CB ASN B 125 -15.541 2.445 7.402 1.00 1.76 C ATOM 1164 CG ASN B 125 -14.047 2.676 7.328 1.00 1.72 C ATOM 1165 OD1 ASN B 125 -13.491 3.477 8.079 1.00 2.01 O ATOM 1166 ND2 ASN B 125 -13.386 1.987 6.406 1.00 1.57 N ATOM 0 H ASN B 125 -16.361 0.021 7.291 1.00 1.33 H new ATOM 0 HA ASN B 125 -15.239 1.703 9.402 1.00 1.62 H new ATOM 0 HB2 ASN B 125 -15.871 1.955 6.486 1.00 1.76 H new ATOM 0 HB3 ASN B 125 -16.048 3.409 7.448 1.00 1.76 H new ATOM 0 HD21 ASN B 125 -12.379 2.112 6.300 1.00 1.57 H new ATOM 0 HD22 ASN B 125 -13.885 1.333 5.803 1.00 1.57 H new ATOM 1173 N GLN B 126 -18.125 1.171 9.610 1.00 1.75 N ATOM 1174 CA GLN B 126 -19.450 1.481 10.141 1.00 2.00 C ATOM 1175 C GLN B 126 -20.358 1.889 8.991 1.00 2.28 C ATOM 1176 O GLN B 126 -20.966 2.957 9.004 1.00 2.59 O ATOM 1177 CB GLN B 126 -19.437 2.560 11.240 1.00 2.28 C ATOM 1178 CG GLN B 126 -18.111 2.717 11.968 1.00 2.26 C ATOM 1179 CD GLN B 126 -17.533 1.416 12.480 1.00 2.20 C ATOM 1180 OE1 GLN B 126 -18.251 0.521 12.924 1.00 2.62 O ATOM 1181 NE2 GLN B 126 -16.220 1.302 12.391 1.00 2.05 N ATOM 0 H GLN B 126 -17.874 0.185 9.681 1.00 1.75 H new ATOM 0 HA GLN B 126 -19.829 0.581 10.624 1.00 2.00 H new ATOM 0 HB2 GLN B 126 -19.704 3.517 10.792 1.00 2.28 H new ATOM 0 HB3 GLN B 126 -20.210 2.323 11.971 1.00 2.28 H new ATOM 0 HG2 GLN B 126 -17.391 3.182 11.295 1.00 2.26 H new ATOM 0 HG3 GLN B 126 -18.248 3.398 12.808 1.00 2.26 H new ATOM 0 HE21 GLN B 126 -15.666 2.072 12.016 1.00 2.05 H new ATOM 0 HE22 GLN B 126 -15.761 0.444 12.697 1.00 2.05 H new ATOM 1188 N ALA B 127 -20.421 0.980 8.019 1.00 2.26 N ATOM 1189 CA ALA B 127 -21.190 1.082 6.783 1.00 2.68 C ATOM 1190 C ALA B 127 -21.558 2.491 6.358 1.00 2.58 C ATOM 1191 O ALA B 127 -20.839 3.094 5.561 1.00 2.78 O ATOM 1192 CB ALA B 127 -22.409 0.199 6.889 1.00 3.35 C ATOM 0 H ALA B 127 -19.906 0.102 8.078 1.00 2.26 H new ATOM 0 HA ALA B 127 -20.533 0.739 5.984 1.00 2.68 H new ATOM 0 HB1 ALA B 127 -22.990 0.269 5.969 1.00 3.35 H new ATOM 0 HB2 ALA B 127 -22.098 -0.834 7.044 1.00 3.35 H new ATOM 0 HB3 ALA B 127 -23.021 0.523 7.730 1.00 3.35 H new ATOM 1198 N SER B 128 -22.660 3.012 6.890 1.00 2.78 N ATOM 1199 CA SER B 128 -23.148 4.330 6.530 1.00 3.07 C ATOM 1200 C SER B 128 -23.583 4.356 5.069 1.00 3.19 C ATOM 1201 O SER B 128 -24.766 4.209 4.763 1.00 3.58 O ATOM 1202 CB SER B 128 -22.100 5.394 6.828 1.00 3.43 C ATOM 1203 OG SER B 128 -21.849 5.483 8.224 1.00 3.90 O ATOM 0 H SER B 128 -23.235 2.530 7.581 1.00 2.78 H new ATOM 0 HA SER B 128 -24.023 4.558 7.139 1.00 3.07 H new ATOM 0 HB2 SER B 128 -21.175 5.156 6.303 1.00 3.43 H new ATOM 0 HB3 SER B 128 -22.440 6.360 6.453 1.00 3.43 H new ATOM 0 HG SER B 128 -21.520 4.620 8.553 1.00 3.90 H new ATOM 1209 N HIS B 129 -22.629 4.528 4.166 1.00 2.99 N ATOM 1210 CA HIS B 129 -22.945 4.555 2.743 1.00 3.16 C ATOM 1211 C HIS B 129 -23.241 3.169 2.184 1.00 2.98 C ATOM 1212 O HIS B 129 -23.485 3.035 0.994 1.00 3.05 O ATOM 1213 CB HIS B 129 -21.847 5.246 1.926 1.00 3.29 C ATOM 1214 CG HIS B 129 -21.978 6.737 1.934 1.00 3.68 C ATOM 1215 ND1 HIS B 129 -21.356 7.563 1.023 1.00 4.09 N ATOM 1216 CD2 HIS B 129 -22.704 7.548 2.738 1.00 3.92 C ATOM 1217 CE1 HIS B 129 -21.697 8.816 1.269 1.00 4.48 C ATOM 1218 NE2 HIS B 129 -22.510 8.830 2.303 1.00 4.40 N ATOM 0 H HIS B 129 -21.641 4.650 4.388 1.00 2.99 H new ATOM 0 HA HIS B 129 -23.857 5.145 2.649 1.00 3.16 H new ATOM 0 HB2 HIS B 129 -20.872 4.968 2.326 1.00 3.29 H new ATOM 0 HB3 HIS B 129 -21.884 4.887 0.897 1.00 3.29 H new ATOM 0 HD2 HIS B 129 -23.322 7.240 3.569 1.00 3.92 H new ATOM 0 HE1 HIS B 129 -21.365 9.681 0.715 1.00 4.48 H new ATOM 0 HE2 HIS B 129 -22.929 9.664 2.715 1.00 4.40 H new ATOM 1227 N VAL B 130 -23.185 2.142 3.021 1.00 2.81 N ATOM 1228 CA VAL B 130 -23.512 0.796 2.592 1.00 2.71 C ATOM 1229 C VAL B 130 -24.975 0.540 2.896 1.00 2.91 C ATOM 1230 O VAL B 130 -25.473 0.954 3.947 1.00 3.16 O ATOM 1231 CB VAL B 130 -22.622 -0.274 3.291 1.00 2.44 C ATOM 1232 CG1 VAL B 130 -23.438 -1.441 3.840 1.00 2.56 C ATOM 1233 CG2 VAL B 130 -21.570 -0.799 2.333 1.00 2.52 C ATOM 0 H VAL B 130 -22.915 2.219 4.002 1.00 2.81 H new ATOM 0 HA VAL B 130 -23.322 0.714 1.522 1.00 2.71 H new ATOM 0 HB VAL B 130 -22.140 0.221 4.134 1.00 2.44 H new ATOM 0 HG11 VAL B 130 -22.771 -2.159 4.317 1.00 2.56 H new ATOM 0 HG12 VAL B 130 -24.156 -1.071 4.572 1.00 2.56 H new ATOM 0 HG13 VAL B 130 -23.971 -1.928 3.024 1.00 2.56 H new ATOM 0 HG21 VAL B 130 -20.958 -1.546 2.839 1.00 2.52 H new ATOM 0 HG22 VAL B 130 -22.058 -1.253 1.471 1.00 2.52 H new ATOM 0 HG23 VAL B 130 -20.938 0.024 2.000 1.00 2.52 H new ATOM 1237 N SER B 131 -25.672 -0.099 1.975 1.00 3.16 N ATOM 1238 CA SER B 131 -27.072 -0.393 2.169 1.00 3.41 C ATOM 1239 C SER B 131 -27.257 -1.397 3.305 1.00 3.34 C ATOM 1240 O SER B 131 -26.377 -2.221 3.556 1.00 3.52 O ATOM 1241 CB SER B 131 -27.655 -0.932 0.865 1.00 3.60 C ATOM 1242 OG SER B 131 -26.612 -1.281 -0.038 1.00 3.66 O ATOM 0 H SER B 131 -25.288 -0.423 1.087 1.00 3.16 H new ATOM 0 HA SER B 131 -27.600 0.520 2.446 1.00 3.41 H new ATOM 0 HB2 SER B 131 -28.275 -1.805 1.070 1.00 3.60 H new ATOM 0 HB3 SER B 131 -28.302 -0.181 0.411 1.00 3.60 H new ATOM 0 HG SER B 131 -27.000 -1.627 -0.869 1.00 3.66 H new ATOM 1248 N ALA B 132 -28.396 -1.320 3.985 1.00 3.13 N ATOM 1249 CA ALA B 132 -28.698 -2.208 5.105 1.00 3.13 C ATOM 1250 C ALA B 132 -28.489 -3.672 4.739 1.00 2.94 C ATOM 1251 O ALA B 132 -27.820 -4.412 5.468 1.00 2.84 O ATOM 1252 CB ALA B 132 -30.124 -1.985 5.580 1.00 3.57 C ATOM 0 H ALA B 132 -29.132 -0.645 3.778 1.00 3.13 H new ATOM 0 HA ALA B 132 -28.006 -1.968 5.913 1.00 3.13 H new ATOM 0 HB1 ALA B 132 -30.338 -2.652 6.415 1.00 3.57 H new ATOM 0 HB2 ALA B 132 -30.242 -0.951 5.903 1.00 3.57 H new ATOM 0 HB3 ALA B 132 -30.816 -2.192 4.764 1.00 3.57 H new ATOM 1258 N LYS B 133 -29.038 -4.080 3.601 1.00 2.95 N ATOM 1259 CA LYS B 133 -28.905 -5.455 3.148 1.00 2.86 C ATOM 1260 C LYS B 133 -27.442 -5.814 2.921 1.00 2.52 C ATOM 1261 O LYS B 133 -27.005 -6.914 3.251 1.00 2.39 O ATOM 1262 CB LYS B 133 -29.714 -5.689 1.878 1.00 3.08 C ATOM 1263 CG LYS B 133 -29.845 -7.158 1.501 1.00 3.26 C ATOM 1264 CD LYS B 133 -30.521 -7.962 2.601 1.00 3.59 C ATOM 1265 CE LYS B 133 -29.560 -8.937 3.254 1.00 3.54 C ATOM 1266 NZ LYS B 133 -30.105 -9.493 4.519 1.00 4.27 N ATOM 0 H LYS B 133 -29.577 -3.479 2.978 1.00 2.95 H new ATOM 0 HA LYS B 133 -29.299 -6.104 3.930 1.00 2.86 H new ATOM 0 HB2 LYS B 133 -30.710 -5.266 2.008 1.00 3.08 H new ATOM 0 HB3 LYS B 133 -29.245 -5.151 1.054 1.00 3.08 H new ATOM 0 HG2 LYS B 133 -30.420 -7.247 0.579 1.00 3.26 H new ATOM 0 HG3 LYS B 133 -28.857 -7.572 1.302 1.00 3.26 H new ATOM 0 HD2 LYS B 133 -30.920 -7.284 3.355 1.00 3.59 H new ATOM 0 HD3 LYS B 133 -31.367 -8.509 2.185 1.00 3.59 H new ATOM 0 HE2 LYS B 133 -29.345 -9.752 2.563 1.00 3.54 H new ATOM 0 HE3 LYS B 133 -28.615 -8.433 3.457 1.00 3.54 H new ATOM 0 HZ1 LYS B 133 -29.500 -10.274 4.844 1.00 4.27 H new ATOM 0 HZ2 LYS B 133 -30.127 -8.748 5.244 1.00 4.27 H new ATOM 0 HZ3 LYS B 133 -31.069 -9.846 4.356 1.00 4.27 H new ATOM 1280 N THR B 134 -26.690 -4.879 2.365 1.00 2.42 N ATOM 1281 CA THR B 134 -25.275 -5.087 2.112 1.00 2.12 C ATOM 1282 C THR B 134 -24.513 -5.217 3.421 1.00 1.91 C ATOM 1283 O THR B 134 -23.601 -6.029 3.543 1.00 1.66 O ATOM 1284 CB THR B 134 -24.677 -3.952 1.289 1.00 2.15 C ATOM 1285 OG1 THR B 134 -25.439 -3.757 0.089 1.00 2.38 O ATOM 1286 CG2 THR B 134 -23.227 -4.249 0.947 1.00 1.91 C ATOM 0 H THR B 134 -27.039 -3.964 2.079 1.00 2.42 H new ATOM 0 HA THR B 134 -25.182 -6.011 1.542 1.00 2.12 H new ATOM 0 HB THR B 134 -24.712 -3.038 1.882 1.00 2.15 H new ATOM 0 HG1 THR B 134 -25.938 -2.916 0.152 1.00 2.38 H new ATOM 0 HG21 THR B 134 -22.816 -3.428 0.359 1.00 1.91 H new ATOM 0 HG22 THR B 134 -22.652 -4.360 1.866 1.00 1.91 H new ATOM 0 HG23 THR B 134 -23.171 -5.172 0.370 1.00 1.91 H new ATOM 1291 N ARG B 135 -24.867 -4.385 4.381 1.00 2.08 N ATOM 1292 CA ARG B 135 -24.251 -4.440 5.699 1.00 2.01 C ATOM 1293 C ARG B 135 -24.345 -5.860 6.238 1.00 1.90 C ATOM 1294 O ARG B 135 -23.370 -6.422 6.722 1.00 1.69 O ATOM 1295 CB ARG B 135 -24.937 -3.445 6.650 1.00 2.33 C ATOM 1296 CG ARG B 135 -24.579 -3.640 8.120 1.00 2.49 C ATOM 1297 CD ARG B 135 -25.527 -4.597 8.797 1.00 2.51 C ATOM 1298 NE ARG B 135 -25.108 -4.927 10.160 1.00 2.92 N ATOM 1299 CZ ARG B 135 -25.925 -4.974 11.215 1.00 3.24 C ATOM 1300 NH1 ARG B 135 -27.214 -4.692 11.085 1.00 3.30 N ATOM 1301 NH2 ARG B 135 -25.444 -5.310 12.406 1.00 3.83 N ATOM 0 H ARG B 135 -25.578 -3.661 4.276 1.00 2.08 H new ATOM 0 HA ARG B 135 -23.200 -4.160 5.623 1.00 2.01 H new ATOM 0 HB2 ARG B 135 -24.668 -2.431 6.353 1.00 2.33 H new ATOM 0 HB3 ARG B 135 -26.017 -3.535 6.535 1.00 2.33 H new ATOM 0 HG2 ARG B 135 -23.560 -4.018 8.200 1.00 2.49 H new ATOM 0 HG3 ARG B 135 -24.604 -2.678 8.632 1.00 2.49 H new ATOM 0 HD2 ARG B 135 -26.525 -4.159 8.823 1.00 2.51 H new ATOM 0 HD3 ARG B 135 -25.596 -5.512 8.209 1.00 2.51 H new ATOM 0 HE ARG B 135 -24.122 -5.136 10.315 1.00 2.92 H new ATOM 0 HH11 ARG B 135 -27.591 -4.436 10.172 1.00 3.30 H new ATOM 0 HH12 ARG B 135 -27.829 -4.731 11.898 1.00 3.30 H new ATOM 0 HH21 ARG B 135 -24.454 -5.531 12.512 1.00 3.83 H new ATOM 0 HH22 ARG B 135 -26.065 -5.347 13.215 1.00 3.83 H new ATOM 1315 N GLU B 136 -25.518 -6.437 6.088 1.00 2.09 N ATOM 1316 CA GLU B 136 -25.773 -7.793 6.541 1.00 2.13 C ATOM 1317 C GLU B 136 -25.016 -8.775 5.652 1.00 1.92 C ATOM 1318 O GLU B 136 -24.494 -9.787 6.112 1.00 1.96 O ATOM 1319 CB GLU B 136 -27.269 -8.074 6.508 1.00 2.40 C ATOM 1320 CG GLU B 136 -28.066 -7.259 7.493 1.00 2.66 C ATOM 1321 CD GLU B 136 -29.553 -7.324 7.221 1.00 2.93 C ATOM 1322 OE1 GLU B 136 -29.941 -7.353 6.038 1.00 3.37 O ATOM 1323 OE2 GLU B 136 -30.342 -7.358 8.187 1.00 3.14 O ATOM 0 H GLU B 136 -26.321 -5.984 5.651 1.00 2.09 H new ATOM 0 HA GLU B 136 -25.425 -7.911 7.567 1.00 2.13 H new ATOM 0 HB2 GLU B 136 -27.643 -7.879 5.503 1.00 2.40 H new ATOM 0 HB3 GLU B 136 -27.434 -9.132 6.709 1.00 2.40 H new ATOM 0 HG2 GLU B 136 -27.868 -7.618 8.503 1.00 2.66 H new ATOM 0 HG3 GLU B 136 -27.737 -6.221 7.453 1.00 2.66 H new ATOM 1330 N LYS B 137 -24.960 -8.431 4.372 1.00 1.78 N ATOM 1331 CA LYS B 137 -24.283 -9.218 3.347 1.00 1.68 C ATOM 1332 C LYS B 137 -22.821 -9.500 3.706 1.00 1.46 C ATOM 1333 O LYS B 137 -22.349 -10.635 3.649 1.00 1.53 O ATOM 1334 CB LYS B 137 -24.327 -8.437 2.033 1.00 1.70 C ATOM 1335 CG LYS B 137 -23.628 -9.139 0.896 1.00 2.12 C ATOM 1336 CD LYS B 137 -23.087 -8.142 -0.110 1.00 2.24 C ATOM 1337 CE LYS B 137 -24.182 -7.532 -0.969 1.00 2.51 C ATOM 1338 NZ LYS B 137 -24.902 -8.550 -1.783 1.00 3.11 N ATOM 0 H LYS B 137 -25.392 -7.581 4.009 1.00 1.78 H new ATOM 0 HA LYS B 137 -24.794 -10.177 3.261 1.00 1.68 H new ATOM 0 HB2 LYS B 137 -25.367 -8.262 1.758 1.00 1.70 H new ATOM 0 HB3 LYS B 137 -23.868 -7.460 2.184 1.00 1.70 H new ATOM 0 HG2 LYS B 137 -22.811 -9.746 1.286 1.00 2.12 H new ATOM 0 HG3 LYS B 137 -24.322 -9.819 0.402 1.00 2.12 H new ATOM 0 HD2 LYS B 137 -22.559 -7.348 0.418 1.00 2.24 H new ATOM 0 HD3 LYS B 137 -22.359 -8.637 -0.752 1.00 2.24 H new ATOM 0 HE2 LYS B 137 -24.895 -7.013 -0.328 1.00 2.51 H new ATOM 0 HE3 LYS B 137 -23.746 -6.784 -1.631 1.00 2.51 H new ATOM 0 HZ1 LYS B 137 -25.425 -8.077 -2.547 1.00 3.11 H new ATOM 0 HZ2 LYS B 137 -24.216 -9.215 -2.193 1.00 3.11 H new ATOM 0 HZ3 LYS B 137 -25.569 -9.070 -1.178 1.00 3.11 H new ATOM 1352 N VAL B 138 -22.133 -8.447 4.096 1.00 1.29 N ATOM 1353 CA VAL B 138 -20.730 -8.543 4.432 1.00 1.09 C ATOM 1354 C VAL B 138 -20.516 -9.040 5.856 1.00 1.21 C ATOM 1355 O VAL B 138 -19.553 -9.752 6.117 1.00 1.25 O ATOM 1356 CB VAL B 138 -19.962 -7.229 4.209 1.00 0.95 C ATOM 1357 CG1 VAL B 138 -20.649 -6.371 3.177 1.00 1.45 C ATOM 1358 CG2 VAL B 138 -19.759 -6.467 5.501 1.00 1.71 C ATOM 0 H VAL B 138 -22.526 -7.510 4.188 1.00 1.29 H new ATOM 0 HA VAL B 138 -20.320 -9.280 3.741 1.00 1.09 H new ATOM 0 HB VAL B 138 -18.974 -7.492 3.831 1.00 0.95 H new ATOM 0 HG11 VAL B 138 -20.086 -5.448 3.038 1.00 1.45 H new ATOM 0 HG12 VAL B 138 -20.701 -6.911 2.231 1.00 1.45 H new ATOM 0 HG13 VAL B 138 -21.658 -6.133 3.515 1.00 1.45 H new ATOM 0 HG21 VAL B 138 -19.213 -5.546 5.298 1.00 1.71 H new ATOM 0 HG22 VAL B 138 -20.728 -6.225 5.937 1.00 1.71 H new ATOM 0 HG23 VAL B 138 -19.190 -7.080 6.199 1.00 1.71 H new ATOM 1362 N GLU B 139 -21.398 -8.668 6.784 1.00 1.39 N ATOM 1363 CA GLU B 139 -21.272 -9.096 8.150 1.00 1.58 C ATOM 1364 C GLU B 139 -21.423 -10.591 8.223 1.00 1.75 C ATOM 1365 O GLU B 139 -20.733 -11.264 8.984 1.00 1.88 O ATOM 1366 CB GLU B 139 -22.312 -8.393 8.997 1.00 1.81 C ATOM 1367 CG GLU B 139 -21.974 -6.938 9.241 1.00 2.17 C ATOM 1368 CD GLU B 139 -21.917 -6.586 10.709 1.00 2.73 C ATOM 1369 OE1 GLU B 139 -21.050 -7.129 11.424 1.00 3.05 O ATOM 1370 OE2 GLU B 139 -22.742 -5.765 11.160 1.00 3.10 O ATOM 0 H GLU B 139 -22.204 -8.070 6.600 1.00 1.39 H new ATOM 0 HA GLU B 139 -20.287 -8.835 8.536 1.00 1.58 H new ATOM 0 HB2 GLU B 139 -23.282 -8.460 8.505 1.00 1.81 H new ATOM 0 HB3 GLU B 139 -22.404 -8.907 9.954 1.00 1.81 H new ATOM 0 HG2 GLU B 139 -21.012 -6.711 8.781 1.00 2.17 H new ATOM 0 HG3 GLU B 139 -22.718 -6.310 8.751 1.00 2.17 H new ATOM 1377 N ALA B 140 -22.330 -11.104 7.420 1.00 1.81 N ATOM 1378 CA ALA B 140 -22.545 -12.532 7.352 1.00 2.02 C ATOM 1379 C ALA B 140 -21.276 -13.209 6.863 1.00 1.95 C ATOM 1380 O ALA B 140 -20.877 -14.262 7.365 1.00 2.18 O ATOM 1381 CB ALA B 140 -23.715 -12.859 6.441 1.00 2.15 C ATOM 0 H ALA B 140 -22.930 -10.553 6.806 1.00 1.81 H new ATOM 0 HA ALA B 140 -22.788 -12.904 8.347 1.00 2.02 H new ATOM 0 HB1 ALA B 140 -23.858 -13.939 6.405 1.00 2.15 H new ATOM 0 HB2 ALA B 140 -24.619 -12.386 6.825 1.00 2.15 H new ATOM 0 HB3 ALA B 140 -23.510 -12.487 5.437 1.00 2.15 H new ATOM 1387 N ALA B 141 -20.650 -12.575 5.882 1.00 1.68 N ATOM 1388 CA ALA B 141 -19.416 -13.059 5.309 1.00 1.65 C ATOM 1389 C ALA B 141 -18.323 -13.014 6.354 1.00 1.66 C ATOM 1390 O ALA B 141 -17.622 -13.998 6.579 1.00 1.90 O ATOM 1391 CB ALA B 141 -19.041 -12.217 4.103 1.00 1.47 C ATOM 0 H ALA B 141 -20.990 -11.709 5.464 1.00 1.68 H new ATOM 0 HA ALA B 141 -19.545 -14.090 4.980 1.00 1.65 H new ATOM 0 HB1 ALA B 141 -18.109 -12.588 3.676 1.00 1.47 H new ATOM 0 HB2 ALA B 141 -19.832 -12.279 3.356 1.00 1.47 H new ATOM 0 HB3 ALA B 141 -18.912 -11.179 4.410 1.00 1.47 H new ATOM 1397 N MET B 142 -18.227 -11.873 7.022 1.00 1.50 N ATOM 1398 CA MET B 142 -17.239 -11.662 8.058 1.00 1.61 C ATOM 1399 C MET B 142 -17.350 -12.730 9.125 1.00 1.93 C ATOM 1400 O MET B 142 -16.363 -13.256 9.626 1.00 2.11 O ATOM 1401 CB MET B 142 -17.466 -10.318 8.740 1.00 1.51 C ATOM 1402 CG MET B 142 -17.164 -9.102 7.891 1.00 1.53 C ATOM 1403 SD MET B 142 -17.558 -7.565 8.752 1.00 2.27 S ATOM 1404 CE MET B 142 -16.885 -6.353 7.623 1.00 2.42 C ATOM 0 H MET B 142 -18.834 -11.070 6.857 1.00 1.50 H new ATOM 0 HA MET B 142 -16.258 -11.695 7.585 1.00 1.61 H new ATOM 0 HB2 MET B 142 -18.505 -10.265 9.065 1.00 1.51 H new ATOM 0 HB3 MET B 142 -16.849 -10.276 9.638 1.00 1.51 H new ATOM 0 HG2 MET B 142 -16.109 -9.104 7.616 1.00 1.53 H new ATOM 0 HG3 MET B 142 -17.735 -9.156 6.964 1.00 1.53 H new ATOM 0 HE1 MET B 142 -16.941 -5.363 8.076 1.00 2.42 H new ATOM 0 HE2 MET B 142 -15.844 -6.595 7.407 1.00 2.42 H new ATOM 0 HE3 MET B 142 -17.459 -6.361 6.696 1.00 2.42 H new ATOM 1414 N ALA B 143 -18.583 -13.035 9.433 1.00 2.04 N ATOM 1415 CA ALA B 143 -18.943 -13.992 10.473 1.00 2.38 C ATOM 1416 C ALA B 143 -18.474 -15.411 10.194 1.00 2.59 C ATOM 1417 O ALA B 143 -17.874 -16.049 11.060 1.00 2.89 O ATOM 1418 CB ALA B 143 -20.450 -13.980 10.676 1.00 2.49 C ATOM 0 H ALA B 143 -19.390 -12.622 8.964 1.00 2.04 H new ATOM 0 HA ALA B 143 -18.426 -13.673 11.378 1.00 2.38 H new ATOM 0 HB1 ALA B 143 -20.718 -14.695 11.453 1.00 2.49 H new ATOM 0 HB2 ALA B 143 -20.769 -12.982 10.976 1.00 2.49 H new ATOM 0 HB3 ALA B 143 -20.945 -14.254 9.744 1.00 2.49 H new ATOM 1424 N GLU B 144 -18.756 -15.904 9.002 1.00 2.46 N ATOM 1425 CA GLU B 144 -18.405 -17.263 8.634 1.00 2.69 C ATOM 1426 C GLU B 144 -16.917 -17.491 8.662 1.00 2.75 C ATOM 1427 O GLU B 144 -16.424 -18.447 9.255 1.00 3.01 O ATOM 1428 CB GLU B 144 -18.923 -17.561 7.254 1.00 2.61 C ATOM 1429 CG GLU B 144 -20.395 -17.280 7.111 1.00 2.71 C ATOM 1430 CD GLU B 144 -21.160 -18.406 6.447 1.00 3.16 C ATOM 1431 OE1 GLU B 144 -21.469 -19.405 7.128 1.00 3.53 O ATOM 1432 OE2 GLU B 144 -21.464 -18.301 5.243 1.00 3.49 O ATOM 0 H GLU B 144 -19.231 -15.379 8.268 1.00 2.46 H new ATOM 0 HA GLU B 144 -18.861 -17.929 9.366 1.00 2.69 H new ATOM 0 HB2 GLU B 144 -18.371 -16.965 6.527 1.00 2.61 H new ATOM 0 HB3 GLU B 144 -18.733 -18.608 7.018 1.00 2.61 H new ATOM 0 HG2 GLU B 144 -20.820 -17.094 8.098 1.00 2.71 H new ATOM 0 HG3 GLU B 144 -20.529 -16.368 6.530 1.00 2.71 H new ATOM 1439 N LEU B 145 -16.219 -16.594 8.021 1.00 2.55 N ATOM 1440 CA LEU B 145 -14.780 -16.661 7.909 1.00 2.61 C ATOM 1441 C LEU B 145 -14.083 -16.256 9.203 1.00 2.66 C ATOM 1442 O LEU B 145 -12.943 -16.648 9.445 1.00 2.82 O ATOM 1443 CB LEU B 145 -14.348 -15.722 6.792 1.00 2.39 C ATOM 1444 CG LEU B 145 -15.243 -15.717 5.552 1.00 2.32 C ATOM 1445 CD1 LEU B 145 -15.212 -14.364 4.869 1.00 2.67 C ATOM 1446 CD2 LEU B 145 -14.805 -16.792 4.590 1.00 2.64 C ATOM 0 H LEU B 145 -16.633 -15.786 7.556 1.00 2.55 H new ATOM 0 HA LEU B 145 -14.497 -17.692 7.696 1.00 2.61 H new ATOM 0 HB2 LEU B 145 -14.303 -14.708 7.190 1.00 2.39 H new ATOM 0 HB3 LEU B 145 -13.336 -15.990 6.487 1.00 2.39 H new ATOM 0 HG LEU B 145 -16.266 -15.918 5.869 1.00 2.32 H new ATOM 0 HD11 LEU B 145 -15.856 -14.385 3.990 1.00 2.67 H new ATOM 0 HD12 LEU B 145 -15.567 -13.599 5.560 1.00 2.67 H new ATOM 0 HD13 LEU B 145 -14.191 -14.133 4.565 1.00 2.67 H new ATOM 0 HD21 LEU B 145 -15.450 -16.779 3.711 1.00 2.64 H new ATOM 0 HD22 LEU B 145 -13.774 -16.611 4.286 1.00 2.64 H new ATOM 0 HD23 LEU B 145 -14.874 -17.765 5.076 1.00 2.64 H new ATOM 1452 N ASN B 146 -14.789 -15.473 10.018 1.00 2.60 N ATOM 1453 CA ASN B 146 -14.268 -14.953 11.280 1.00 2.70 C ATOM 1454 C ASN B 146 -13.275 -13.842 10.955 1.00 2.57 C ATOM 1455 O ASN B 146 -12.071 -13.925 11.206 1.00 2.86 O ATOM 1456 CB ASN B 146 -13.666 -16.066 12.137 1.00 3.12 C ATOM 1457 CG ASN B 146 -13.047 -15.584 13.425 1.00 3.19 C ATOM 1458 OD1 ASN B 146 -11.835 -15.395 13.524 1.00 3.34 O ATOM 1459 ND2 ASN B 146 -13.873 -15.398 14.423 1.00 3.49 N ATOM 0 H ASN B 146 -15.746 -15.180 9.819 1.00 2.60 H new ATOM 0 HA ASN B 146 -15.074 -14.537 11.884 1.00 2.70 H new ATOM 0 HB2 ASN B 146 -14.445 -16.792 12.370 1.00 3.12 H new ATOM 0 HB3 ASN B 146 -12.907 -16.588 11.555 1.00 3.12 H new ATOM 0 HD21 ASN B 146 -13.519 -15.084 15.327 1.00 3.49 H new ATOM 0 HD22 ASN B 146 -14.871 -15.567 14.297 1.00 3.49 H new ATOM 1466 N TYR B 147 -13.829 -12.816 10.324 1.00 2.19 N ATOM 1467 CA TYR B 147 -13.094 -11.649 9.879 1.00 2.03 C ATOM 1468 C TYR B 147 -12.634 -10.765 11.022 1.00 2.31 C ATOM 1469 O TYR B 147 -13.418 -10.405 11.896 1.00 2.53 O ATOM 1470 CB TYR B 147 -13.975 -10.800 8.961 1.00 1.65 C ATOM 1471 CG TYR B 147 -13.316 -9.499 8.551 1.00 1.50 C ATOM 1472 CD1 TYR B 147 -12.094 -9.489 7.890 1.00 1.57 C ATOM 1473 CD2 TYR B 147 -13.901 -8.276 8.859 1.00 1.48 C ATOM 1474 CE1 TYR B 147 -11.484 -8.298 7.544 1.00 1.55 C ATOM 1475 CE2 TYR B 147 -13.293 -7.091 8.518 1.00 1.52 C ATOM 1476 CZ TYR B 147 -12.088 -7.106 7.861 1.00 1.52 C ATOM 1477 OH TYR B 147 -11.481 -5.922 7.523 1.00 1.65 O ATOM 0 H TYR B 147 -14.824 -12.775 10.104 1.00 2.19 H new ATOM 0 HA TYR B 147 -12.213 -12.025 9.359 1.00 2.03 H new ATOM 0 HB2 TYR B 147 -14.220 -11.375 8.068 1.00 1.65 H new ATOM 0 HB3 TYR B 147 -14.915 -10.582 9.468 1.00 1.65 H new ATOM 0 HD1 TYR B 147 -11.614 -10.425 7.643 1.00 1.57 H new ATOM 0 HD2 TYR B 147 -14.850 -8.256 9.375 1.00 1.48 H new ATOM 0 HE1 TYR B 147 -10.536 -8.305 7.026 1.00 1.55 H new ATOM 0 HE2 TYR B 147 -13.762 -6.151 8.766 1.00 1.52 H new ATOM 0 HH TYR B 147 -10.633 -6.107 7.067 1.00 1.65 H new ATOM 1487 N ILE B 148 -11.361 -10.418 11.001 1.00 2.42 N ATOM 1488 CA ILE B 148 -10.791 -9.509 11.978 1.00 2.80 C ATOM 1489 C ILE B 148 -9.827 -8.578 11.257 1.00 2.72 C ATOM 1490 O ILE B 148 -8.822 -9.029 10.703 1.00 2.76 O ATOM 1491 CB ILE B 148 -10.057 -10.239 13.122 1.00 3.30 C ATOM 1492 CG1 ILE B 148 -11.065 -11.068 13.928 1.00 3.52 C ATOM 1493 CG2 ILE B 148 -9.320 -9.239 14.012 1.00 3.81 C ATOM 1494 CD1 ILE B 148 -10.742 -11.180 15.400 1.00 3.83 C ATOM 0 H ILE B 148 -10.694 -10.757 10.308 1.00 2.42 H new ATOM 0 HA ILE B 148 -11.607 -8.953 12.440 1.00 2.80 H new ATOM 0 HB ILE B 148 -9.310 -10.913 12.702 1.00 3.30 H new ATOM 0 HG12 ILE B 148 -12.054 -10.623 13.818 1.00 3.52 H new ATOM 0 HG13 ILE B 148 -11.117 -12.070 13.502 1.00 3.52 H new ATOM 0 HG21 ILE B 148 -8.809 -9.773 14.813 1.00 3.81 H new ATOM 0 HG22 ILE B 148 -8.589 -8.691 13.417 1.00 3.81 H new ATOM 0 HG23 ILE B 148 -10.036 -8.538 14.442 1.00 3.81 H new ATOM 0 HD11 ILE B 148 -11.504 -11.782 15.895 1.00 3.83 H new ATOM 0 HD12 ILE B 148 -9.768 -11.654 15.524 1.00 3.83 H new ATOM 0 HD13 ILE B 148 -10.720 -10.185 15.844 1.00 3.83 H new ATOM 1498 N PRO B 149 -10.132 -7.274 11.223 1.00 2.88 N ATOM 1499 CA PRO B 149 -9.288 -6.300 10.545 1.00 3.03 C ATOM 1500 C PRO B 149 -8.032 -5.995 11.338 1.00 2.77 C ATOM 1501 O PRO B 149 -7.918 -6.370 12.509 1.00 3.05 O ATOM 1502 CB PRO B 149 -10.179 -5.063 10.435 1.00 3.57 C ATOM 1503 CG PRO B 149 -11.139 -5.171 11.565 1.00 3.57 C ATOM 1504 CD PRO B 149 -11.295 -6.643 11.873 1.00 3.26 C ATOM 0 HA PRO B 149 -8.936 -6.660 9.578 1.00 3.03 H new ATOM 0 HB2 PRO B 149 -9.592 -4.147 10.504 1.00 3.57 H new ATOM 0 HB3 PRO B 149 -10.699 -5.037 9.478 1.00 3.57 H new ATOM 0 HG2 PRO B 149 -10.770 -4.631 12.437 1.00 3.57 H new ATOM 0 HG3 PRO B 149 -12.099 -4.729 11.299 1.00 3.57 H new ATOM 0 HD2 PRO B 149 -11.299 -6.827 12.947 1.00 3.26 H new ATOM 0 HD3 PRO B 149 -12.233 -7.035 11.479 1.00 3.26 H new ATOM 1512 N ASN B 150 -7.093 -5.301 10.722 1.00 2.62 N ATOM 1513 CA ASN B 150 -5.854 -4.966 11.375 1.00 2.54 C ATOM 1514 C ASN B 150 -5.855 -3.485 11.702 1.00 2.42 C ATOM 1515 O ASN B 150 -6.027 -2.646 10.816 1.00 2.60 O ATOM 1516 CB ASN B 150 -4.676 -5.334 10.471 1.00 2.56 C ATOM 1517 CG ASN B 150 -4.161 -6.724 10.735 1.00 3.19 C ATOM 1518 OD1 ASN B 150 -4.131 -7.188 11.873 1.00 3.68 O ATOM 1519 ND2 ASN B 150 -3.761 -7.404 9.677 1.00 3.53 N ATOM 0 H ASN B 150 -7.172 -4.959 9.764 1.00 2.62 H new ATOM 0 HA ASN B 150 -5.752 -5.529 12.303 1.00 2.54 H new ATOM 0 HB2 ASN B 150 -4.984 -5.256 9.428 1.00 2.56 H new ATOM 0 HB3 ASN B 150 -3.869 -4.616 10.620 1.00 2.56 H new ATOM 0 HD21 ASN B 150 -3.409 -8.355 9.785 1.00 3.53 H new ATOM 0 HD22 ASN B 150 -3.804 -6.978 8.751 1.00 3.53 H new ATOM 1526 N ARG B 151 -5.648 -3.169 12.970 1.00 2.38 N ATOM 1527 CA ARG B 151 -5.678 -1.788 13.446 1.00 2.38 C ATOM 1528 C ARG B 151 -4.689 -0.888 12.715 1.00 2.32 C ATOM 1529 O ARG B 151 -4.944 0.301 12.547 1.00 2.27 O ATOM 1530 CB ARG B 151 -5.393 -1.740 14.945 1.00 2.76 C ATOM 1531 CG ARG B 151 -6.487 -1.059 15.752 1.00 2.95 C ATOM 1532 CD ARG B 151 -7.696 -1.965 15.927 1.00 3.01 C ATOM 1533 NE ARG B 151 -8.886 -1.453 15.249 1.00 3.24 N ATOM 1534 CZ ARG B 151 -10.085 -2.032 15.317 1.00 3.63 C ATOM 1535 NH1 ARG B 151 -10.250 -3.146 16.026 1.00 3.98 N ATOM 1536 NH2 ARG B 151 -11.117 -1.504 14.673 1.00 4.07 N ATOM 0 H ARG B 151 -5.455 -3.856 13.699 1.00 2.38 H new ATOM 0 HA ARG B 151 -6.679 -1.410 13.240 1.00 2.38 H new ATOM 0 HB2 ARG B 151 -5.261 -2.757 15.314 1.00 2.76 H new ATOM 0 HB3 ARG B 151 -4.452 -1.216 15.111 1.00 2.76 H new ATOM 0 HG2 ARG B 151 -6.097 -0.777 16.730 1.00 2.95 H new ATOM 0 HG3 ARG B 151 -6.790 -0.139 15.253 1.00 2.95 H new ATOM 0 HD2 ARG B 151 -7.461 -2.957 15.541 1.00 3.01 H new ATOM 0 HD3 ARG B 151 -7.909 -2.079 16.990 1.00 3.01 H new ATOM 0 HE ARG B 151 -8.793 -0.604 14.692 1.00 3.24 H new ATOM 0 HH11 ARG B 151 -9.458 -3.559 16.519 1.00 3.98 H new ATOM 0 HH12 ARG B 151 -11.168 -3.587 16.076 1.00 3.98 H new ATOM 0 HH21 ARG B 151 -10.994 -0.653 14.124 1.00 4.07 H new ATOM 0 HH22 ARG B 151 -12.033 -1.949 14.727 1.00 4.07 H new ATOM 1550 N CYS B 152 -3.595 -1.459 12.243 1.00 2.48 N ATOM 1551 CA CYS B 152 -2.564 -0.690 11.569 1.00 2.63 C ATOM 1552 C CYS B 152 -3.019 -0.325 10.181 1.00 2.50 C ATOM 1553 O CYS B 152 -2.973 0.835 9.791 1.00 2.67 O ATOM 1554 CB CYS B 152 -1.278 -1.500 11.517 1.00 2.93 C ATOM 1555 SG CYS B 152 0.234 -0.542 11.849 1.00 3.23 S ATOM 0 H CYS B 152 -3.397 -2.457 12.315 1.00 2.48 H new ATOM 0 HA CYS B 152 -2.377 0.231 12.122 1.00 2.63 H new ATOM 0 HB2 CYS B 152 -1.345 -2.311 12.242 1.00 2.93 H new ATOM 0 HB3 CYS B 152 -1.193 -1.959 10.532 1.00 2.93 H new ATOM 1560 N ALA B 153 -3.417 -1.329 9.432 1.00 2.32 N ATOM 1561 CA ALA B 153 -3.927 -1.110 8.092 1.00 2.32 C ATOM 1562 C ALA B 153 -5.032 -0.059 8.114 1.00 2.21 C ATOM 1563 O ALA B 153 -5.137 0.763 7.213 1.00 2.45 O ATOM 1564 CB ALA B 153 -4.427 -2.413 7.495 1.00 2.28 C ATOM 0 H ALA B 153 -3.398 -2.306 9.725 1.00 2.32 H new ATOM 0 HA ALA B 153 -3.117 -0.741 7.463 1.00 2.32 H new ATOM 0 HB1 ALA B 153 -4.806 -2.231 6.489 1.00 2.28 H new ATOM 0 HB2 ALA B 153 -3.608 -3.130 7.449 1.00 2.28 H new ATOM 0 HB3 ALA B 153 -5.227 -2.815 8.117 1.00 2.28 H new ATOM 1570 N GLN B 154 -5.831 -0.084 9.174 1.00 2.00 N ATOM 1571 CA GLN B 154 -6.904 0.867 9.356 1.00 2.06 C ATOM 1572 C GLN B 154 -6.341 2.250 9.658 1.00 2.35 C ATOM 1573 O GLN B 154 -6.815 3.253 9.138 1.00 2.61 O ATOM 1574 CB GLN B 154 -7.789 0.402 10.497 1.00 2.05 C ATOM 1575 CG GLN B 154 -8.463 -0.926 10.223 1.00 1.74 C ATOM 1576 CD GLN B 154 -9.699 -1.108 11.045 1.00 1.62 C ATOM 1577 OE1 GLN B 154 -9.665 -1.670 12.136 1.00 2.13 O ATOM 1578 NE2 GLN B 154 -10.793 -0.621 10.525 1.00 1.56 N ATOM 0 H GLN B 154 -5.748 -0.767 9.927 1.00 2.00 H new ATOM 0 HA GLN B 154 -7.491 0.930 8.440 1.00 2.06 H new ATOM 0 HB2 GLN B 154 -7.189 0.318 11.403 1.00 2.05 H new ATOM 0 HB3 GLN B 154 -8.552 1.157 10.688 1.00 2.05 H new ATOM 0 HG2 GLN B 154 -8.718 -0.991 9.165 1.00 1.74 H new ATOM 0 HG3 GLN B 154 -7.765 -1.737 10.433 1.00 1.74 H new ATOM 0 HE21 GLN B 154 -10.765 -0.163 9.614 1.00 1.56 H new ATOM 0 HE22 GLN B 154 -11.676 -0.698 11.030 1.00 1.56 H new ATOM 1585 N GLN B 155 -5.329 2.280 10.519 1.00 2.42 N ATOM 1586 CA GLN B 155 -4.676 3.521 10.907 1.00 2.79 C ATOM 1587 C GLN B 155 -3.993 4.165 9.711 1.00 3.09 C ATOM 1588 O GLN B 155 -4.178 5.351 9.438 1.00 3.45 O ATOM 1589 CB GLN B 155 -3.653 3.253 12.008 1.00 2.96 C ATOM 1590 CG GLN B 155 -4.250 3.099 13.398 1.00 2.89 C ATOM 1591 CD GLN B 155 -5.632 3.700 13.527 1.00 3.39 C ATOM 1592 OE1 GLN B 155 -5.794 4.870 13.872 1.00 3.95 O ATOM 1593 NE2 GLN B 155 -6.633 2.891 13.252 1.00 3.50 N ATOM 0 H GLN B 155 -4.941 1.448 10.964 1.00 2.42 H new ATOM 0 HA GLN B 155 -5.436 4.206 11.283 1.00 2.79 H new ATOM 0 HB2 GLN B 155 -3.101 2.346 11.761 1.00 2.96 H new ATOM 0 HB3 GLN B 155 -2.932 4.071 12.024 1.00 2.96 H new ATOM 0 HG2 GLN B 155 -4.297 2.040 13.650 1.00 2.89 H new ATOM 0 HG3 GLN B 155 -3.588 3.570 14.124 1.00 2.89 H new ATOM 0 HE21 GLN B 155 -6.448 1.928 12.970 1.00 3.50 H new ATOM 0 HE22 GLN B 155 -7.594 3.227 13.321 1.00 3.50 H new ATOM 1600 N LEU B 156 -3.202 3.369 9.010 1.00 3.06 N ATOM 1601 CA LEU B 156 -2.484 3.835 7.838 1.00 3.49 C ATOM 1602 C LEU B 156 -3.449 4.313 6.755 1.00 3.68 C ATOM 1603 O LEU B 156 -3.440 5.478 6.357 1.00 4.13 O ATOM 1604 CB LEU B 156 -1.642 2.671 7.308 1.00 3.53 C ATOM 1605 CG LEU B 156 -0.422 3.062 6.486 1.00 4.11 C ATOM 1606 CD1 LEU B 156 0.388 4.073 7.251 1.00 4.43 C ATOM 1607 CD2 LEU B 156 0.429 1.844 6.175 1.00 4.41 C ATOM 0 H LEU B 156 -3.041 2.388 9.237 1.00 3.06 H new ATOM 0 HA LEU B 156 -1.850 4.679 8.110 1.00 3.49 H new ATOM 0 HB2 LEU B 156 -1.310 2.071 8.155 1.00 3.53 H new ATOM 0 HB3 LEU B 156 -2.280 2.033 6.697 1.00 3.53 H new ATOM 0 HG LEU B 156 -0.755 3.495 5.543 1.00 4.11 H new ATOM 0 HD11 LEU B 156 1.263 4.356 6.666 1.00 4.43 H new ATOM 0 HD12 LEU B 156 -0.221 4.956 7.444 1.00 4.43 H new ATOM 0 HD13 LEU B 156 0.709 3.640 8.198 1.00 4.43 H new ATOM 0 HD21 LEU B 156 1.296 2.146 5.587 1.00 4.41 H new ATOM 0 HD22 LEU B 156 0.764 1.387 7.106 1.00 4.41 H new ATOM 0 HD23 LEU B 156 -0.161 1.123 5.608 1.00 4.41 H new ATOM 1613 N ALA B 157 -4.276 3.388 6.307 1.00 3.42 N ATOM 1614 CA ALA B 157 -5.277 3.667 5.276 1.00 3.67 C ATOM 1615 C ALA B 157 -6.233 4.785 5.686 1.00 3.76 C ATOM 1616 O ALA B 157 -6.724 5.538 4.844 1.00 4.19 O ATOM 1617 CB ALA B 157 -6.064 2.415 4.931 1.00 3.75 C ATOM 0 H ALA B 157 -4.279 2.424 6.641 1.00 3.42 H new ATOM 0 HA ALA B 157 -4.732 4.002 4.393 1.00 3.67 H new ATOM 0 HB1 ALA B 157 -6.801 2.649 4.163 1.00 3.75 H new ATOM 0 HB2 ALA B 157 -5.384 1.648 4.560 1.00 3.75 H new ATOM 0 HB3 ALA B 157 -6.573 2.048 5.822 1.00 3.75 H new ATOM 1623 N GLY B 158 -6.482 4.902 6.979 1.00 3.59 N ATOM 1624 CA GLY B 158 -7.383 5.919 7.472 1.00 3.97 C ATOM 1625 C GLY B 158 -6.760 7.299 7.464 1.00 4.36 C ATOM 1626 O GLY B 158 -7.456 8.298 7.638 1.00 4.91 O ATOM 0 H GLY B 158 -6.074 4.307 7.700 1.00 3.59 H new ATOM 0 HA2 GLY B 158 -8.285 5.928 6.861 1.00 3.97 H new ATOM 0 HA3 GLY B 158 -7.689 5.668 8.488 1.00 3.97 H new ATOM 1630 N LYS B 159 -5.454 7.361 7.244 1.00 4.48 N ATOM 1631 CA LYS B 159 -4.743 8.627 7.224 1.00 5.33 C ATOM 1632 C LYS B 159 -4.804 9.282 5.846 1.00 5.77 C ATOM 1633 O LYS B 159 -4.254 10.363 5.640 1.00 6.56 O ATOM 1634 CB LYS B 159 -3.291 8.434 7.640 1.00 5.95 C ATOM 1635 CG LYS B 159 -2.665 9.682 8.239 1.00 7.06 C ATOM 1636 CD LYS B 159 -1.203 9.823 7.848 1.00 7.88 C ATOM 1637 CE LYS B 159 -1.045 10.303 6.413 1.00 8.15 C ATOM 1638 NZ LYS B 159 -1.478 11.717 6.236 1.00 8.98 N ATOM 0 H LYS B 159 -4.866 6.545 7.077 1.00 4.48 H new ATOM 0 HA LYS B 159 -5.235 9.288 7.938 1.00 5.33 H new ATOM 0 HB2 LYS B 159 -3.233 7.623 8.366 1.00 5.95 H new ATOM 0 HB3 LYS B 159 -2.710 8.126 6.771 1.00 5.95 H new ATOM 0 HG2 LYS B 159 -3.217 10.561 7.906 1.00 7.06 H new ATOM 0 HG3 LYS B 159 -2.749 9.645 9.325 1.00 7.06 H new ATOM 0 HD2 LYS B 159 -0.713 10.525 8.522 1.00 7.88 H new ATOM 0 HD3 LYS B 159 -0.701 8.863 7.967 1.00 7.88 H new ATOM 0 HE2 LYS B 159 -0.002 10.205 6.113 1.00 8.15 H new ATOM 0 HE3 LYS B 159 -1.628 9.662 5.752 1.00 8.15 H new ATOM 0 HZ1 LYS B 159 -0.951 12.146 5.449 1.00 8.98 H new ATOM 0 HZ2 LYS B 159 -2.496 11.745 6.026 1.00 8.98 H new ATOM 0 HZ3 LYS B 159 -1.290 12.250 7.109 1.00 8.98 H new