USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=30 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= 0.987 USER MOD Set 1.2: B 134 THR OG1 : rot 113:sc= 0.985 USER MOD Set 2.1: B 121 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 125 ASN : amide:sc= 1.14 K(o=1.1,f=-0.28) USER MOD Set 3.1: B 116 SER OG : rot -35:sc= 0.0601 USER MOD Set 3.2: B 119 THR OG1 : rot -120:sc= -0.912 USER MOD Set 4.1: A 31 SER OG : rot 180:sc= 1.08 USER MOD Set 4.2: A 34 THR OG1 : rot 115:sc= 1.1 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.2) USER MOD Set 6.1: A 16 SER OG : rot -36:sc= 0.159 USER MOD Set 6.2: A 19 THR OG1 : rot -127:sc= -1.3! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 146:sc= 0.945 USER MOD Single : A 26 GLN : amide:sc= -0.865 X(o=-0.86,f=-0.67) USER MOD Single : A 28 SER OG : rot 180:sc= -0.278 USER MOD Single : A 29 HIS :FLIP no HE2:sc= 0.3 F(o=-1.3,f=0.3) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= 0.875 (180deg=0.157) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.616) USER MOD Single : A 42 MET CE :methyl -151:sc= -4.73! (180deg=-4.82!) USER MOD Single : A 46 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.53) USER MOD Single : A 47 TYR OH : rot 0:sc= -0.67 USER MOD Single : A 50 ASN : amide:sc= -0.0385 X(o=-0.039,f=-0.32) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.653 X(o=-0.65,f=-0.68) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0879 (180deg=-0.563) USER MOD Single : B 105 THR OG1 : rot 180:sc= 0 USER MOD Single : B 107 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot -165:sc= 1.25 USER MOD Single : B 126 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.93) USER MOD Single : B 128 SER OG : rot 180:sc= -0.219 USER MOD Single : B 129 HIS :FLIP no HE2:sc= 0.0491 F(o=-0.83,f=0.049) USER MOD Single : B 133 LYS NZ :NH3+ -167:sc= 0.601 (180deg=0.265) USER MOD Single : B 137 LYS NZ :NH3+ -164:sc= -0.0657 (180deg=-0.348) USER MOD Single : B 142 MET CE :methyl -135:sc= -4.28! (180deg=-4.98!) USER MOD Single : B 146 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.33) USER MOD Single : B 147 TYR OH : rot 0:sc= -0.546 USER MOD Single : B 150 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 154 GLN : amide:sc= -0.0342 X(o=-0.034,f=-0.49) USER MOD Single : B 155 GLN : amide:sc= -0.269! C(o=-0.27!,f=-0.71!) USER MOD Single : B 159 LYS NZ :NH3+ 158:sc= -0.166 (180deg=-0.616) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 5.270 17.015 5.421 1.00 10.04 N ATOM 43 CA PRO A 3 6.154 16.242 6.291 1.00 9.38 C ATOM 44 C PRO A 3 7.247 15.530 5.508 1.00 8.65 C ATOM 45 O PRO A 3 7.222 15.483 4.275 1.00 8.77 O ATOM 46 CB PRO A 3 5.236 15.207 6.948 1.00 8.67 C ATOM 47 CG PRO A 3 3.845 15.596 6.574 1.00 9.28 C ATOM 48 CD PRO A 3 3.953 16.379 5.298 1.00 9.72 C ATOM 0 HA PRO A 3 6.664 16.888 7.006 1.00 9.38 H new ATOM 0 HB2 PRO A 3 5.468 14.201 6.597 1.00 8.67 H new ATOM 0 HB3 PRO A 3 5.363 15.204 8.031 1.00 8.67 H new ATOM 0 HG2 PRO A 3 3.219 14.714 6.437 1.00 9.28 H new ATOM 0 HG3 PRO A 3 3.385 16.195 7.360 1.00 9.28 H new ATOM 0 HD2 PRO A 3 3.895 15.734 4.421 1.00 9.72 H new ATOM 0 HD3 PRO A 3 3.155 17.115 5.206 1.00 9.72 H new ATOM 56 N VAL A 4 8.189 14.959 6.232 1.00 8.02 N ATOM 57 CA VAL A 4 9.293 14.251 5.618 1.00 7.33 C ATOM 58 C VAL A 4 9.002 12.766 5.572 1.00 6.03 C ATOM 59 O VAL A 4 8.288 12.234 6.426 1.00 5.70 O ATOM 60 CB VAL A 4 10.609 14.456 6.375 1.00 7.39 C ATOM 61 CG1 VAL A 4 11.790 14.076 5.499 1.00 7.04 C ATOM 62 CG2 VAL A 4 10.733 15.887 6.863 1.00 7.42 C ATOM 0 H VAL A 4 8.211 14.972 7.252 1.00 8.02 H new ATOM 0 HA VAL A 4 9.401 14.657 4.612 1.00 7.33 H new ATOM 0 HB VAL A 4 10.609 13.804 7.248 1.00 7.39 H new ATOM 0 HG11 VAL A 4 12.717 14.228 6.052 1.00 7.04 H new ATOM 0 HG12 VAL A 4 11.707 13.028 5.211 1.00 7.04 H new ATOM 0 HG13 VAL A 4 11.795 14.699 4.605 1.00 7.04 H new ATOM 0 HG21 VAL A 4 11.675 16.009 7.398 1.00 7.42 H new ATOM 0 HG22 VAL A 4 10.709 16.566 6.010 1.00 7.42 H new ATOM 0 HG23 VAL A 4 9.904 16.116 7.532 1.00 7.42 H new ATOM 66 N THR A 5 9.576 12.100 4.595 1.00 5.44 N ATOM 67 CA THR A 5 9.388 10.671 4.432 1.00 4.29 C ATOM 68 C THR A 5 10.648 10.052 3.867 1.00 3.80 C ATOM 69 O THR A 5 11.627 10.754 3.611 1.00 4.42 O ATOM 70 CB THR A 5 8.198 10.352 3.505 1.00 4.62 C ATOM 71 OG1 THR A 5 8.188 11.259 2.398 1.00 4.49 O ATOM 72 CG2 THR A 5 6.874 10.431 4.263 1.00 5.81 C ATOM 0 H THR A 5 10.182 12.527 3.895 1.00 5.44 H new ATOM 0 HA THR A 5 9.171 10.250 5.414 1.00 4.29 H new ATOM 0 HB THR A 5 8.314 9.333 3.135 1.00 4.62 H new ATOM 0 HG1 THR A 5 7.431 11.051 1.811 1.00 4.49 H new ATOM 0 HG21 THR A 5 6.052 10.201 3.585 1.00 5.81 H new ATOM 0 HG22 THR A 5 6.880 9.712 5.082 1.00 5.81 H new ATOM 0 HG23 THR A 5 6.744 11.436 4.664 1.00 5.81 H new ATOM 77 N LEU A 6 10.620 8.748 3.647 1.00 2.83 N ATOM 78 CA LEU A 6 11.786 8.075 3.105 1.00 2.56 C ATOM 79 C LEU A 6 11.945 8.471 1.658 1.00 3.77 C ATOM 80 O LEU A 6 13.028 8.384 1.111 1.00 4.03 O ATOM 81 CB LEU A 6 11.726 6.550 3.209 1.00 2.11 C ATOM 82 CG LEU A 6 10.413 5.937 3.673 1.00 2.71 C ATOM 83 CD1 LEU A 6 9.446 5.826 2.511 1.00 3.42 C ATOM 84 CD2 LEU A 6 10.665 4.568 4.280 1.00 3.03 C ATOM 0 H LEU A 6 9.818 8.145 3.831 1.00 2.83 H new ATOM 0 HA LEU A 6 12.640 8.389 3.705 1.00 2.56 H new ATOM 0 HB2 LEU A 6 11.966 6.135 2.230 1.00 2.11 H new ATOM 0 HB3 LEU A 6 12.510 6.227 3.893 1.00 2.11 H new ATOM 0 HG LEU A 6 9.971 6.583 4.432 1.00 2.71 H new ATOM 0 HD11 LEU A 6 8.511 5.386 2.857 1.00 3.42 H new ATOM 0 HD12 LEU A 6 9.251 6.818 2.104 1.00 3.42 H new ATOM 0 HD13 LEU A 6 9.880 5.194 1.736 1.00 3.42 H new ATOM 0 HD21 LEU A 6 9.720 4.136 4.609 1.00 3.03 H new ATOM 0 HD22 LEU A 6 11.120 3.917 3.534 1.00 3.03 H new ATOM 0 HD23 LEU A 6 11.336 4.666 5.133 1.00 3.03 H new ATOM 90 N TYR A 7 10.855 8.936 1.058 1.00 4.60 N ATOM 91 CA TYR A 7 10.865 9.369 -0.327 1.00 5.89 C ATOM 92 C TYR A 7 11.737 10.598 -0.493 1.00 6.52 C ATOM 93 O TYR A 7 12.517 10.703 -1.437 1.00 7.28 O ATOM 94 CB TYR A 7 9.444 9.708 -0.779 1.00 6.61 C ATOM 95 CG TYR A 7 8.671 8.536 -1.329 1.00 6.45 C ATOM 96 CD1 TYR A 7 8.736 8.216 -2.679 1.00 5.86 C ATOM 97 CD2 TYR A 7 7.871 7.754 -0.507 1.00 7.13 C ATOM 98 CE1 TYR A 7 8.028 7.149 -3.193 1.00 6.07 C ATOM 99 CE2 TYR A 7 7.159 6.683 -1.016 1.00 7.22 C ATOM 100 CZ TYR A 7 7.242 6.386 -2.359 1.00 6.73 C ATOM 101 OH TYR A 7 6.537 5.317 -2.872 1.00 7.14 O ATOM 0 H TYR A 7 9.948 9.022 1.517 1.00 4.60 H new ATOM 0 HA TYR A 7 11.264 8.557 -0.935 1.00 5.89 H new ATOM 0 HB2 TYR A 7 8.896 10.125 0.066 1.00 6.61 H new ATOM 0 HB3 TYR A 7 9.494 10.485 -1.541 1.00 6.61 H new ATOM 0 HD1 TYR A 7 9.351 8.812 -3.337 1.00 5.86 H new ATOM 0 HD2 TYR A 7 7.804 7.985 0.546 1.00 7.13 H new ATOM 0 HE1 TYR A 7 8.090 6.913 -4.245 1.00 6.07 H new ATOM 0 HE2 TYR A 7 6.541 6.083 -0.364 1.00 7.22 H new ATOM 0 HH TYR A 7 6.033 4.882 -2.153 1.00 7.14 H new ATOM 111 N ASP A 8 11.608 11.517 0.451 1.00 6.38 N ATOM 112 CA ASP A 8 12.349 12.770 0.426 1.00 7.25 C ATOM 113 C ASP A 8 13.823 12.523 0.639 1.00 6.81 C ATOM 114 O ASP A 8 14.651 12.968 -0.153 1.00 7.53 O ATOM 115 CB ASP A 8 11.810 13.729 1.499 1.00 7.59 C ATOM 116 CG ASP A 8 10.996 14.863 0.906 1.00 8.67 C ATOM 117 OD1 ASP A 8 11.502 15.558 0.002 1.00 9.57 O ATOM 118 OD2 ASP A 8 9.844 15.069 1.345 1.00 8.73 O ATOM 0 H ASP A 8 10.988 11.417 1.255 1.00 6.38 H new ATOM 0 HA ASP A 8 12.215 13.228 -0.554 1.00 7.25 H new ATOM 0 HB2 ASP A 8 11.192 13.172 2.203 1.00 7.59 H new ATOM 0 HB3 ASP A 8 12.645 14.142 2.065 1.00 7.59 H new ATOM 123 N VAL A 9 14.159 11.806 1.697 1.00 5.62 N ATOM 124 CA VAL A 9 15.553 11.527 1.963 1.00 5.09 C ATOM 125 C VAL A 9 16.138 10.605 0.899 1.00 4.97 C ATOM 126 O VAL A 9 17.336 10.640 0.640 1.00 5.09 O ATOM 127 CB VAL A 9 15.821 11.010 3.403 1.00 4.01 C ATOM 128 CG1 VAL A 9 14.580 11.073 4.277 1.00 3.71 C ATOM 129 CG2 VAL A 9 16.403 9.609 3.416 1.00 4.12 C ATOM 0 H VAL A 9 13.500 11.415 2.371 1.00 5.62 H new ATOM 0 HA VAL A 9 16.076 12.482 1.905 1.00 5.09 H new ATOM 0 HB VAL A 9 16.566 11.685 3.825 1.00 4.01 H new ATOM 0 HG11 VAL A 9 14.818 10.701 5.274 1.00 3.71 H new ATOM 0 HG12 VAL A 9 14.236 12.105 4.347 1.00 3.71 H new ATOM 0 HG13 VAL A 9 13.794 10.458 3.838 1.00 3.71 H new ATOM 0 HG21 VAL A 9 16.572 9.295 4.446 1.00 4.12 H new ATOM 0 HG22 VAL A 9 15.707 8.921 2.936 1.00 4.12 H new ATOM 0 HG23 VAL A 9 17.349 9.603 2.875 1.00 4.12 H new ATOM 133 N ALA A 10 15.290 9.811 0.258 1.00 5.02 N ATOM 134 CA ALA A 10 15.744 8.929 -0.810 1.00 5.51 C ATOM 135 C ALA A 10 16.098 9.763 -2.025 1.00 6.77 C ATOM 136 O ALA A 10 17.063 9.495 -2.730 1.00 7.18 O ATOM 137 CB ALA A 10 14.673 7.917 -1.175 1.00 5.85 C ATOM 0 H ALA A 10 14.291 9.759 0.457 1.00 5.02 H new ATOM 0 HA ALA A 10 16.621 8.382 -0.464 1.00 5.51 H new ATOM 0 HB1 ALA A 10 15.039 7.272 -1.974 1.00 5.85 H new ATOM 0 HB2 ALA A 10 14.432 7.311 -0.302 1.00 5.85 H new ATOM 0 HB3 ALA A 10 13.778 8.440 -1.512 1.00 5.85 H new ATOM 143 N GLU A 11 15.315 10.805 -2.222 1.00 7.42 N ATOM 144 CA GLU A 11 15.494 11.719 -3.336 1.00 8.73 C ATOM 145 C GLU A 11 16.745 12.538 -3.106 1.00 8.83 C ATOM 146 O GLU A 11 17.549 12.774 -4.009 1.00 9.64 O ATOM 147 CB GLU A 11 14.269 12.616 -3.428 1.00 9.44 C ATOM 148 CG GLU A 11 13.561 12.531 -4.768 1.00 10.72 C ATOM 149 CD GLU A 11 14.267 13.313 -5.856 1.00 11.43 C ATOM 150 OE1 GLU A 11 14.161 14.554 -5.859 1.00 11.94 O ATOM 151 OE2 GLU A 11 14.925 12.691 -6.714 1.00 11.62 O ATOM 0 H GLU A 11 14.533 11.044 -1.612 1.00 7.42 H new ATOM 0 HA GLU A 11 15.605 11.172 -4.272 1.00 8.73 H new ATOM 0 HB2 GLU A 11 13.569 12.345 -2.637 1.00 9.44 H new ATOM 0 HB3 GLU A 11 14.569 13.648 -3.248 1.00 9.44 H new ATOM 0 HG2 GLU A 11 13.486 11.486 -5.068 1.00 10.72 H new ATOM 0 HG3 GLU A 11 12.543 12.905 -4.660 1.00 10.72 H new ATOM 158 N TYR A 12 16.871 12.954 -1.867 1.00 8.09 N ATOM 159 CA TYR A 12 17.999 13.716 -1.382 1.00 8.25 C ATOM 160 C TYR A 12 19.284 12.926 -1.567 1.00 7.64 C ATOM 161 O TYR A 12 20.264 13.387 -2.153 1.00 8.27 O ATOM 162 CB TYR A 12 17.777 13.924 0.093 1.00 7.83 C ATOM 163 CG TYR A 12 18.111 15.294 0.599 1.00 8.89 C ATOM 164 CD1 TYR A 12 17.401 16.405 0.181 1.00 9.03 C ATOM 165 CD2 TYR A 12 19.130 15.468 1.516 1.00 9.83 C ATOM 166 CE1 TYR A 12 17.703 17.659 0.665 1.00 10.12 C ATOM 167 CE2 TYR A 12 19.439 16.709 2.003 1.00 10.89 C ATOM 168 CZ TYR A 12 18.723 17.810 1.576 1.00 11.05 C ATOM 169 OH TYR A 12 19.023 19.063 2.061 1.00 12.19 O ATOM 0 H TYR A 12 16.172 12.766 -1.148 1.00 8.09 H new ATOM 0 HA TYR A 12 18.084 14.658 -1.923 1.00 8.25 H new ATOM 0 HB2 TYR A 12 16.732 13.714 0.320 1.00 7.83 H new ATOM 0 HB3 TYR A 12 18.375 13.196 0.641 1.00 7.83 H new ATOM 0 HD1 TYR A 12 16.600 16.288 -0.534 1.00 9.03 H new ATOM 0 HD2 TYR A 12 19.692 14.610 1.854 1.00 9.83 H new ATOM 0 HE1 TYR A 12 17.142 18.519 0.331 1.00 10.12 H new ATOM 0 HE2 TYR A 12 20.240 16.827 2.718 1.00 10.89 H new ATOM 0 HH TYR A 12 19.316 18.991 2.993 1.00 12.19 H new ATOM 179 N ALA A 13 19.237 11.726 -1.019 1.00 6.42 N ATOM 180 CA ALA A 13 20.340 10.806 -1.076 1.00 5.71 C ATOM 181 C ALA A 13 20.599 10.365 -2.515 1.00 6.20 C ATOM 182 O ALA A 13 21.700 9.934 -2.856 1.00 6.25 O ATOM 183 CB ALA A 13 20.075 9.623 -0.163 1.00 4.38 C ATOM 0 H ALA A 13 18.423 11.367 -0.520 1.00 6.42 H new ATOM 0 HA ALA A 13 21.242 11.306 -0.724 1.00 5.71 H new ATOM 0 HB1 ALA A 13 20.915 8.930 -0.212 1.00 4.38 H new ATOM 0 HB2 ALA A 13 19.953 9.974 0.862 1.00 4.38 H new ATOM 0 HB3 ALA A 13 19.166 9.113 -0.482 1.00 4.38 H new ATOM 189 N GLY A 14 19.582 10.498 -3.358 1.00 6.71 N ATOM 190 CA GLY A 14 19.690 10.115 -4.749 1.00 7.50 C ATOM 191 C GLY A 14 18.917 8.848 -5.003 1.00 7.12 C ATOM 192 O GLY A 14 18.108 8.758 -5.927 1.00 7.67 O ATOM 0 H GLY A 14 18.670 10.871 -3.094 1.00 6.71 H new ATOM 0 HA2 GLY A 14 19.309 10.915 -5.384 1.00 7.50 H new ATOM 0 HA3 GLY A 14 20.737 9.969 -5.013 1.00 7.50 H new ATOM 196 N VAL A 15 19.243 7.865 -4.193 1.00 6.34 N ATOM 197 CA VAL A 15 18.646 6.528 -4.178 1.00 6.29 C ATOM 198 C VAL A 15 17.107 6.459 -4.196 1.00 6.88 C ATOM 199 O VAL A 15 16.398 7.434 -4.427 1.00 7.37 O ATOM 200 CB VAL A 15 19.146 5.792 -2.913 1.00 5.09 C ATOM 201 CG1 VAL A 15 20.652 5.862 -2.827 1.00 4.93 C ATOM 202 CG2 VAL A 15 18.543 6.397 -1.651 1.00 4.07 C ATOM 0 H VAL A 15 19.970 7.973 -3.485 1.00 6.34 H new ATOM 0 HA VAL A 15 18.961 6.067 -5.114 1.00 6.29 H new ATOM 0 HB VAL A 15 18.831 4.751 -2.989 1.00 5.09 H new ATOM 0 HG11 VAL A 15 20.990 5.340 -1.932 1.00 4.93 H new ATOM 0 HG12 VAL A 15 21.089 5.392 -3.708 1.00 4.93 H new ATOM 0 HG13 VAL A 15 20.966 6.905 -2.779 1.00 4.93 H new ATOM 0 HG21 VAL A 15 18.912 5.860 -0.778 1.00 4.07 H new ATOM 0 HG22 VAL A 15 18.828 7.447 -1.579 1.00 4.07 H new ATOM 0 HG23 VAL A 15 17.457 6.318 -1.693 1.00 4.07 H new ATOM 206 N SER A 16 16.624 5.249 -3.942 1.00 7.00 N ATOM 207 CA SER A 16 15.202 4.969 -3.915 1.00 7.47 C ATOM 208 C SER A 16 14.736 4.801 -2.482 1.00 6.42 C ATOM 209 O SER A 16 15.528 4.922 -1.543 1.00 5.43 O ATOM 210 CB SER A 16 14.886 3.706 -4.720 1.00 8.50 C ATOM 211 OG SER A 16 15.291 2.534 -4.025 1.00 9.32 O ATOM 0 H SER A 16 17.211 4.437 -3.749 1.00 7.00 H new ATOM 0 HA SER A 16 14.674 5.808 -4.368 1.00 7.47 H new ATOM 0 HB2 SER A 16 13.816 3.660 -4.922 1.00 8.50 H new ATOM 0 HB3 SER A 16 15.391 3.752 -5.685 1.00 8.50 H new ATOM 0 HG SER A 16 16.125 2.712 -3.542 1.00 9.32 H new ATOM 217 N VAL A 17 13.469 4.473 -2.315 1.00 6.67 N ATOM 218 CA VAL A 17 12.916 4.292 -1.000 1.00 5.79 C ATOM 219 C VAL A 17 13.336 2.945 -0.455 1.00 5.68 C ATOM 220 O VAL A 17 13.293 2.703 0.750 1.00 4.87 O ATOM 221 CB VAL A 17 11.392 4.412 -1.027 1.00 6.31 C ATOM 222 CG1 VAL A 17 11.024 5.760 -1.599 1.00 6.98 C ATOM 223 CG2 VAL A 17 10.759 3.282 -1.830 1.00 6.68 C ATOM 0 H VAL A 17 12.808 4.328 -3.078 1.00 6.67 H new ATOM 0 HA VAL A 17 13.298 5.076 -0.347 1.00 5.79 H new ATOM 0 HB VAL A 17 11.006 4.329 -0.011 1.00 6.31 H new ATOM 0 HG11 VAL A 17 9.939 5.860 -1.625 1.00 6.98 H new ATOM 0 HG12 VAL A 17 11.447 6.548 -0.975 1.00 6.98 H new ATOM 0 HG13 VAL A 17 11.420 5.846 -2.611 1.00 6.98 H new ATOM 0 HG21 VAL A 17 9.675 3.398 -1.829 1.00 6.68 H new ATOM 0 HG22 VAL A 17 11.126 3.314 -2.856 1.00 6.68 H new ATOM 0 HG23 VAL A 17 11.022 2.324 -1.381 1.00 6.68 H new ATOM 227 N ALA A 18 13.769 2.076 -1.361 1.00 6.73 N ATOM 228 CA ALA A 18 14.217 0.760 -0.988 1.00 7.11 C ATOM 229 C ALA A 18 15.546 0.863 -0.282 1.00 6.46 C ATOM 230 O ALA A 18 15.812 0.134 0.669 1.00 6.56 O ATOM 231 CB ALA A 18 14.323 -0.141 -2.202 1.00 8.51 C ATOM 0 H ALA A 18 13.815 2.270 -2.361 1.00 6.73 H new ATOM 0 HA ALA A 18 13.486 0.317 -0.312 1.00 7.11 H new ATOM 0 HB1 ALA A 18 14.663 -1.129 -1.893 1.00 8.51 H new ATOM 0 HB2 ALA A 18 13.346 -0.226 -2.678 1.00 8.51 H new ATOM 0 HB3 ALA A 18 15.036 0.284 -2.909 1.00 8.51 H new ATOM 237 N THR A 19 16.374 1.794 -0.738 1.00 5.99 N ATOM 238 CA THR A 19 17.673 1.995 -0.140 1.00 5.37 C ATOM 239 C THR A 19 17.528 2.586 1.257 1.00 4.05 C ATOM 240 O THR A 19 18.133 2.116 2.222 1.00 3.79 O ATOM 241 CB THR A 19 18.519 2.922 -1.018 1.00 5.54 C ATOM 242 OG1 THR A 19 18.014 2.889 -2.361 1.00 6.63 O ATOM 243 CG2 THR A 19 19.974 2.497 -1.009 1.00 5.80 C ATOM 0 H THR A 19 16.164 2.417 -1.518 1.00 5.99 H new ATOM 0 HA THR A 19 18.173 1.030 -0.060 1.00 5.37 H new ATOM 0 HB THR A 19 18.457 3.935 -0.620 1.00 5.54 H new ATOM 0 HG1 THR A 19 18.745 2.683 -2.980 1.00 6.63 H new ATOM 0 HG21 THR A 19 20.554 3.171 -1.640 1.00 5.80 H new ATOM 0 HG22 THR A 19 20.358 2.534 0.011 1.00 5.80 H new ATOM 0 HG23 THR A 19 20.058 1.480 -1.391 1.00 5.80 H new ATOM 248 N VAL A 20 16.706 3.614 1.344 1.00 3.48 N ATOM 249 CA VAL A 20 16.442 4.293 2.606 1.00 2.24 C ATOM 250 C VAL A 20 15.757 3.384 3.602 1.00 2.45 C ATOM 251 O VAL A 20 16.098 3.397 4.778 1.00 2.38 O ATOM 252 CB VAL A 20 15.603 5.553 2.381 1.00 2.17 C ATOM 253 CG1 VAL A 20 15.194 6.198 3.697 1.00 1.59 C ATOM 254 CG2 VAL A 20 16.407 6.510 1.545 1.00 2.79 C ATOM 0 H VAL A 20 16.202 4.004 0.547 1.00 3.48 H new ATOM 0 HA VAL A 20 17.407 4.580 3.023 1.00 2.24 H new ATOM 0 HB VAL A 20 14.681 5.285 1.865 1.00 2.17 H new ATOM 0 HG11 VAL A 20 14.600 7.089 3.496 1.00 1.59 H new ATOM 0 HG12 VAL A 20 14.603 5.492 4.280 1.00 1.59 H new ATOM 0 HG13 VAL A 20 16.086 6.475 4.259 1.00 1.59 H new ATOM 0 HG21 VAL A 20 15.828 7.417 1.372 1.00 2.79 H new ATOM 0 HG22 VAL A 20 17.330 6.763 2.067 1.00 2.79 H new ATOM 0 HG23 VAL A 20 16.647 6.045 0.589 1.00 2.79 H new ATOM 258 N SER A 21 14.802 2.591 3.139 1.00 3.29 N ATOM 259 CA SER A 21 14.103 1.672 4.005 1.00 3.89 C ATOM 260 C SER A 21 15.098 0.723 4.630 1.00 4.74 C ATOM 261 O SER A 21 14.946 0.341 5.779 1.00 5.36 O ATOM 262 CB SER A 21 13.038 0.901 3.236 1.00 4.80 C ATOM 263 OG SER A 21 12.161 0.229 4.116 1.00 5.42 O ATOM 0 H SER A 21 14.498 2.570 2.166 1.00 3.29 H new ATOM 0 HA SER A 21 13.599 2.237 4.789 1.00 3.89 H new ATOM 0 HB2 SER A 21 12.471 1.587 2.607 1.00 4.80 H new ATOM 0 HB3 SER A 21 13.515 0.180 2.572 1.00 4.80 H new ATOM 0 HG SER A 21 11.486 -0.257 3.597 1.00 5.42 H new ATOM 269 N ARG A 22 16.132 0.354 3.885 1.00 4.95 N ATOM 270 CA ARG A 22 17.148 -0.517 4.421 1.00 5.78 C ATOM 271 C ARG A 22 17.851 0.166 5.574 1.00 5.39 C ATOM 272 O ARG A 22 17.986 -0.404 6.638 1.00 6.16 O ATOM 273 CB ARG A 22 18.160 -0.872 3.360 1.00 6.11 C ATOM 274 CG ARG A 22 17.603 -1.739 2.252 1.00 6.80 C ATOM 275 CD ARG A 22 17.109 -3.072 2.794 1.00 7.67 C ATOM 276 NE ARG A 22 16.963 -4.085 1.749 1.00 8.53 N ATOM 277 CZ ARG A 22 16.532 -5.329 1.978 1.00 9.40 C ATOM 278 NH1 ARG A 22 16.169 -5.692 3.203 1.00 9.56 N ATOM 279 NH2 ARG A 22 16.458 -6.208 0.983 1.00 10.29 N ATOM 0 H ARG A 22 16.281 0.645 2.919 1.00 4.95 H new ATOM 0 HA ARG A 22 16.668 -1.431 4.770 1.00 5.78 H new ATOM 0 HB2 ARG A 22 18.556 0.046 2.926 1.00 6.11 H new ATOM 0 HB3 ARG A 22 18.997 -1.390 3.828 1.00 6.11 H new ATOM 0 HG2 ARG A 22 16.784 -1.219 1.756 1.00 6.80 H new ATOM 0 HG3 ARG A 22 18.373 -1.912 1.500 1.00 6.80 H new ATOM 0 HD2 ARG A 22 17.806 -3.433 3.550 1.00 7.67 H new ATOM 0 HD3 ARG A 22 16.149 -2.925 3.289 1.00 7.67 H new ATOM 0 HE ARG A 22 17.204 -3.827 0.792 1.00 8.53 H new ATOM 0 HH11 ARG A 22 16.219 -5.021 3.970 1.00 9.56 H new ATOM 0 HH12 ARG A 22 15.840 -6.642 3.377 1.00 9.56 H new ATOM 0 HH21 ARG A 22 16.731 -5.934 0.039 1.00 10.29 H new ATOM 0 HH22 ARG A 22 16.128 -7.156 1.164 1.00 10.29 H new ATOM 293 N VAL A 23 18.245 1.411 5.363 1.00 4.37 N ATOM 294 CA VAL A 23 18.938 2.177 6.391 1.00 4.33 C ATOM 295 C VAL A 23 17.992 2.433 7.552 1.00 4.40 C ATOM 296 O VAL A 23 18.378 2.366 8.719 1.00 5.33 O ATOM 297 CB VAL A 23 19.482 3.503 5.852 1.00 3.40 C ATOM 298 CG1 VAL A 23 20.226 4.241 6.951 1.00 3.55 C ATOM 299 CG2 VAL A 23 20.383 3.260 4.648 1.00 3.56 C ATOM 0 H VAL A 23 18.098 1.915 4.489 1.00 4.37 H new ATOM 0 HA VAL A 23 19.793 1.591 6.729 1.00 4.33 H new ATOM 0 HB VAL A 23 18.648 4.123 5.524 1.00 3.40 H new ATOM 0 HG11 VAL A 23 20.610 5.183 6.561 1.00 3.55 H new ATOM 0 HG12 VAL A 23 19.546 4.441 7.779 1.00 3.55 H new ATOM 0 HG13 VAL A 23 21.056 3.629 7.303 1.00 3.55 H new ATOM 0 HG21 VAL A 23 20.761 4.213 4.278 1.00 3.56 H new ATOM 0 HG22 VAL A 23 21.220 2.627 4.942 1.00 3.56 H new ATOM 0 HG23 VAL A 23 19.813 2.765 3.861 1.00 3.56 H new ATOM 303 N VAL A 24 16.749 2.724 7.205 1.00 3.61 N ATOM 304 CA VAL A 24 15.688 2.922 8.170 1.00 3.77 C ATOM 305 C VAL A 24 15.514 1.633 8.972 1.00 4.89 C ATOM 306 O VAL A 24 15.116 1.641 10.136 1.00 5.58 O ATOM 307 CB VAL A 24 14.381 3.278 7.421 1.00 2.64 C ATOM 308 CG1 VAL A 24 13.149 2.812 8.150 1.00 3.07 C ATOM 309 CG2 VAL A 24 14.286 4.767 7.184 1.00 2.21 C ATOM 0 H VAL A 24 16.449 2.830 6.236 1.00 3.61 H new ATOM 0 HA VAL A 24 15.933 3.738 8.850 1.00 3.77 H new ATOM 0 HB VAL A 24 14.424 2.753 6.467 1.00 2.64 H new ATOM 0 HG11 VAL A 24 12.262 3.088 7.580 1.00 3.07 H new ATOM 0 HG12 VAL A 24 13.183 1.729 8.266 1.00 3.07 H new ATOM 0 HG13 VAL A 24 13.109 3.281 9.133 1.00 3.07 H new ATOM 0 HG21 VAL A 24 13.359 4.993 6.656 1.00 2.21 H new ATOM 0 HG22 VAL A 24 14.295 5.289 8.141 1.00 2.21 H new ATOM 0 HG23 VAL A 24 15.135 5.095 6.584 1.00 2.21 H new ATOM 313 N ASN A 25 15.839 0.531 8.311 1.00 5.31 N ATOM 314 CA ASN A 25 15.766 -0.795 8.915 1.00 6.55 C ATOM 315 C ASN A 25 17.116 -1.194 9.499 1.00 7.52 C ATOM 316 O ASN A 25 17.390 -2.381 9.702 1.00 8.44 O ATOM 317 CB ASN A 25 15.325 -1.836 7.886 1.00 6.78 C ATOM 318 CG ASN A 25 13.821 -2.013 7.812 1.00 6.55 C ATOM 319 OD1 ASN A 25 13.226 -2.745 8.602 1.00 7.29 O ATOM 320 ND2 ASN A 25 13.200 -1.358 6.846 1.00 5.69 N ATOM 0 H ASN A 25 16.160 0.529 7.343 1.00 5.31 H new ATOM 0 HA ASN A 25 15.029 -0.756 9.717 1.00 6.55 H new ATOM 0 HB2 ASN A 25 15.697 -1.545 6.904 1.00 6.78 H new ATOM 0 HB3 ASN A 25 15.784 -2.794 8.130 1.00 6.78 H new ATOM 0 HD21 ASN A 25 12.190 -1.450 6.735 1.00 5.69 H new ATOM 0 HD22 ASN A 25 13.731 -0.761 6.212 1.00 5.69 H new ATOM 327 N GLN A 26 17.950 -0.186 9.761 1.00 7.38 N ATOM 328 CA GLN A 26 19.283 -0.368 10.340 1.00 8.36 C ATOM 329 C GLN A 26 20.154 -1.173 9.391 1.00 8.53 C ATOM 330 O GLN A 26 20.969 -1.983 9.824 1.00 9.33 O ATOM 331 CB GLN A 26 19.264 -1.030 11.725 1.00 9.59 C ATOM 332 CG GLN A 26 17.934 -0.998 12.455 1.00 9.80 C ATOM 333 CD GLN A 26 17.327 0.382 12.577 1.00 9.62 C ATOM 334 OE1 GLN A 26 18.026 1.384 12.734 1.00 10.45 O ATOM 335 NE2 GLN A 26 16.009 0.436 12.492 1.00 8.63 N ATOM 0 H GLN A 26 17.717 0.790 9.575 1.00 7.38 H new ATOM 0 HA GLN A 26 19.699 0.630 10.481 1.00 8.36 H new ATOM 0 HB2 GLN A 26 19.571 -2.070 11.614 1.00 9.59 H new ATOM 0 HB3 GLN A 26 20.012 -0.542 12.350 1.00 9.59 H new ATOM 0 HG2 GLN A 26 17.231 -1.647 11.934 1.00 9.80 H new ATOM 0 HG3 GLN A 26 18.070 -1.412 13.454 1.00 9.80 H new ATOM 0 HE21 GLN A 26 15.471 -0.421 12.362 1.00 8.63 H new ATOM 0 HE22 GLN A 26 15.530 1.334 12.557 1.00 8.63 H new ATOM 342 N ALA A 27 20.041 -0.817 8.111 1.00 7.90 N ATOM 343 CA ALA A 27 20.726 -1.463 6.988 1.00 8.11 C ATOM 344 C ALA A 27 20.789 -2.999 7.022 1.00 8.82 C ATOM 345 O ALA A 27 20.716 -3.653 8.057 1.00 9.01 O ATOM 346 CB ALA A 27 22.103 -0.860 6.833 1.00 7.97 C ATOM 0 H ALA A 27 19.448 -0.042 7.815 1.00 7.90 H new ATOM 0 HA ALA A 27 20.108 -1.260 6.113 1.00 8.11 H new ATOM 0 HB1 ALA A 27 22.617 -1.337 5.999 1.00 7.97 H new ATOM 0 HB2 ALA A 27 22.012 0.209 6.640 1.00 7.97 H new ATOM 0 HB3 ALA A 27 22.674 -1.016 7.748 1.00 7.97 H new ATOM 352 N SER A 28 20.906 -3.572 5.837 1.00 9.39 N ATOM 353 CA SER A 28 20.999 -5.015 5.672 1.00 10.23 C ATOM 354 C SER A 28 21.707 -5.323 4.363 1.00 10.33 C ATOM 355 O SER A 28 22.512 -6.243 4.270 1.00 11.17 O ATOM 356 CB SER A 28 19.612 -5.649 5.679 1.00 11.03 C ATOM 357 OG SER A 28 18.818 -5.142 6.736 1.00 11.40 O ATOM 0 H SER A 28 20.939 -3.051 4.961 1.00 9.39 H new ATOM 0 HA SER A 28 21.567 -5.432 6.504 1.00 10.23 H new ATOM 0 HB2 SER A 28 19.118 -5.458 4.726 1.00 11.03 H new ATOM 0 HB3 SER A 28 19.705 -6.730 5.778 1.00 11.03 H new ATOM 0 HG SER A 28 17.935 -5.566 6.714 1.00 11.40 H new ATOM 363 N HIS A 29 21.399 -4.514 3.361 1.00 9.57 N ATOM 364 CA HIS A 29 21.987 -4.637 2.034 1.00 9.82 C ATOM 365 C HIS A 29 22.271 -3.240 1.495 1.00 8.86 C ATOM 366 O HIS A 29 21.946 -2.920 0.355 1.00 8.91 O ATOM 367 CB HIS A 29 21.062 -5.397 1.071 1.00 10.11 C ATOM 368 CG HIS A 29 21.361 -6.866 0.957 1.00 11.30 C ATOM 369 ND1 HIS A 29 22.121 -7.685 1.725 1.00 12.35 N flip ATOM 370 CD2 HIS A 29 20.862 -7.659 -0.055 1.00 11.68 C flip ATOM 371 CE1 HIS A 29 22.069 -8.937 1.167 1.00 13.27 C flip ATOM 372 NE2 HIS A 29 21.303 -8.894 0.095 1.00 12.89 N flip ATOM 0 H HIS A 29 20.730 -3.749 3.445 1.00 9.57 H new ATOM 0 HA HIS A 29 22.912 -5.209 2.112 1.00 9.82 H new ATOM 0 HB2 HIS A 29 20.031 -5.273 1.402 1.00 10.11 H new ATOM 0 HB3 HIS A 29 21.136 -4.945 0.082 1.00 10.11 H new ATOM 0 HD1 HIS A 29 22.637 -7.419 2.564 1.00 12.35 H new ATOM 0 HD2 HIS A 29 20.211 -7.322 -0.848 1.00 11.68 H new ATOM 0 HE1 HIS A 29 22.573 -9.814 1.544 1.00 13.27 H new ATOM 381 N VAL A 30 22.876 -2.418 2.343 1.00 8.15 N ATOM 382 CA VAL A 30 23.233 -1.051 2.011 1.00 7.28 C ATOM 383 C VAL A 30 24.705 -0.835 2.337 1.00 7.71 C ATOM 384 O VAL A 30 25.168 -1.235 3.411 1.00 8.18 O ATOM 385 CB VAL A 30 22.369 -0.025 2.797 1.00 6.03 C ATOM 386 CG1 VAL A 30 23.186 1.180 3.263 1.00 5.53 C ATOM 387 CG2 VAL A 30 21.212 0.449 1.951 1.00 5.47 C ATOM 0 H VAL A 30 23.134 -2.689 3.292 1.00 8.15 H new ATOM 0 HA VAL A 30 23.048 -0.894 0.948 1.00 7.28 H new ATOM 0 HB VAL A 30 21.993 -0.539 3.681 1.00 6.03 H new ATOM 0 HG11 VAL A 30 22.540 1.869 3.807 1.00 5.53 H new ATOM 0 HG12 VAL A 30 23.990 0.843 3.917 1.00 5.53 H new ATOM 0 HG13 VAL A 30 23.611 1.688 2.397 1.00 5.53 H new ATOM 0 HG21 VAL A 30 20.618 1.167 2.517 1.00 5.47 H new ATOM 0 HG22 VAL A 30 21.593 0.925 1.048 1.00 5.47 H new ATOM 0 HG23 VAL A 30 20.589 -0.402 1.677 1.00 5.47 H new ATOM 391 N SER A 31 25.442 -0.249 1.410 1.00 7.70 N ATOM 392 CA SER A 31 26.851 0.032 1.619 1.00 8.11 C ATOM 393 C SER A 31 27.024 1.073 2.725 1.00 7.34 C ATOM 394 O SER A 31 26.151 1.925 2.918 1.00 7.15 O ATOM 395 CB SER A 31 27.453 0.535 0.310 1.00 8.37 C ATOM 396 OG SER A 31 26.425 0.836 -0.625 1.00 9.26 O ATOM 0 H SER A 31 25.085 0.043 0.500 1.00 7.70 H new ATOM 0 HA SER A 31 27.366 -0.877 1.929 1.00 8.11 H new ATOM 0 HB2 SER A 31 28.055 1.424 0.497 1.00 8.37 H new ATOM 0 HB3 SER A 31 28.121 -0.220 -0.105 1.00 8.37 H new ATOM 0 HG SER A 31 26.826 1.159 -1.459 1.00 9.26 H new ATOM 402 N ALA A 32 28.142 1.000 3.443 1.00 7.04 N ATOM 403 CA ALA A 32 28.425 1.930 4.533 1.00 6.69 C ATOM 404 C ALA A 32 28.248 3.373 4.085 1.00 5.51 C ATOM 405 O ALA A 32 27.650 4.184 4.794 1.00 5.18 O ATOM 406 CB ALA A 32 29.835 1.710 5.061 1.00 7.54 C ATOM 0 H ALA A 32 28.870 0.303 3.288 1.00 7.04 H new ATOM 0 HA ALA A 32 27.712 1.737 5.335 1.00 6.69 H new ATOM 0 HB1 ALA A 32 30.033 2.410 5.873 1.00 7.54 H new ATOM 0 HB2 ALA A 32 29.930 0.689 5.431 1.00 7.54 H new ATOM 0 HB3 ALA A 32 30.554 1.873 4.258 1.00 7.54 H new ATOM 412 N LYS A 33 28.770 3.683 2.905 1.00 5.14 N ATOM 413 CA LYS A 33 28.665 5.021 2.352 1.00 4.27 C ATOM 414 C LYS A 33 27.213 5.421 2.141 1.00 3.52 C ATOM 415 O LYS A 33 26.805 6.528 2.485 1.00 3.09 O ATOM 416 CB LYS A 33 29.433 5.116 1.046 1.00 4.58 C ATOM 417 CG LYS A 33 30.587 6.100 1.115 1.00 4.41 C ATOM 418 CD LYS A 33 30.104 7.541 1.166 1.00 4.64 C ATOM 419 CE LYS A 33 31.102 8.434 1.883 1.00 5.36 C ATOM 420 NZ LYS A 33 31.374 7.978 3.275 1.00 6.12 N ATOM 0 H LYS A 33 29.272 3.021 2.313 1.00 5.14 H new ATOM 0 HA LYS A 33 29.103 5.714 3.071 1.00 4.27 H new ATOM 0 HB2 LYS A 33 29.817 4.130 0.782 1.00 4.58 H new ATOM 0 HB3 LYS A 33 28.752 5.416 0.250 1.00 4.58 H new ATOM 0 HG2 LYS A 33 31.191 5.889 1.997 1.00 4.41 H new ATOM 0 HG3 LYS A 33 31.232 5.964 0.247 1.00 4.41 H new ATOM 0 HD2 LYS A 33 29.946 7.910 0.152 1.00 4.64 H new ATOM 0 HD3 LYS A 33 29.141 7.586 1.675 1.00 4.64 H new ATOM 0 HE2 LYS A 33 32.036 8.455 1.321 1.00 5.36 H new ATOM 0 HE3 LYS A 33 30.721 9.455 1.906 1.00 5.36 H new ATOM 0 HZ1 LYS A 33 31.723 8.778 3.840 1.00 6.12 H new ATOM 0 HZ2 LYS A 33 30.497 7.612 3.698 1.00 6.12 H new ATOM 0 HZ3 LYS A 33 32.092 7.225 3.260 1.00 6.12 H new ATOM 434 N THR A 34 26.439 4.506 1.588 1.00 3.69 N ATOM 435 CA THR A 34 25.031 4.749 1.334 1.00 3.13 C ATOM 436 C THR A 34 24.275 4.956 2.631 1.00 2.69 C ATOM 437 O THR A 34 23.381 5.792 2.711 1.00 2.13 O ATOM 438 CB THR A 34 24.405 3.604 0.564 1.00 3.87 C ATOM 439 OG1 THR A 34 25.176 3.336 -0.617 1.00 4.66 O ATOM 440 CG2 THR A 34 22.971 3.943 0.201 1.00 3.46 C ATOM 0 H THR A 34 26.764 3.582 1.304 1.00 3.69 H new ATOM 0 HA THR A 34 24.964 5.655 0.732 1.00 3.13 H new ATOM 0 HB THR A 34 24.399 2.711 1.188 1.00 3.87 H new ATOM 0 HG1 THR A 34 25.570 2.441 -0.554 1.00 4.66 H new ATOM 0 HG21 THR A 34 22.530 3.114 -0.352 1.00 3.46 H new ATOM 0 HG22 THR A 34 22.397 4.118 1.111 1.00 3.46 H new ATOM 0 HG23 THR A 34 22.955 4.841 -0.417 1.00 3.46 H new ATOM 445 N ARG A 35 24.617 4.171 3.630 1.00 3.41 N ATOM 446 CA ARG A 35 24.001 4.303 4.940 1.00 3.80 C ATOM 447 C ARG A 35 24.104 5.752 5.396 1.00 3.65 C ATOM 448 O ARG A 35 23.125 6.353 5.820 1.00 3.56 O ATOM 449 CB ARG A 35 24.682 3.354 5.942 1.00 5.03 C ATOM 450 CG ARG A 35 24.350 3.629 7.404 1.00 5.76 C ATOM 451 CD ARG A 35 25.333 4.589 8.021 1.00 6.34 C ATOM 452 NE ARG A 35 24.932 5.012 9.362 1.00 7.34 N ATOM 453 CZ ARG A 35 25.772 5.495 10.277 1.00 8.26 C ATOM 454 NH1 ARG A 35 27.067 5.584 10.009 1.00 8.43 N ATOM 455 NH2 ARG A 35 25.313 5.889 11.459 1.00 9.19 N ATOM 0 H ARG A 35 25.318 3.433 3.564 1.00 3.41 H new ATOM 0 HA ARG A 35 22.948 4.028 4.884 1.00 3.80 H new ATOM 0 HB2 ARG A 35 24.395 2.330 5.705 1.00 5.03 H new ATOM 0 HB3 ARG A 35 25.762 3.421 5.810 1.00 5.03 H new ATOM 0 HG2 ARG A 35 23.343 4.039 7.479 1.00 5.76 H new ATOM 0 HG3 ARG A 35 24.355 2.693 7.962 1.00 5.76 H new ATOM 0 HD2 ARG A 35 26.315 4.118 8.070 1.00 6.34 H new ATOM 0 HD3 ARG A 35 25.431 5.466 7.381 1.00 6.34 H new ATOM 0 HE ARG A 35 23.947 4.932 9.613 1.00 7.34 H new ATOM 0 HH11 ARG A 35 27.422 5.283 9.101 1.00 8.43 H new ATOM 0 HH12 ARG A 35 27.709 5.954 10.710 1.00 8.43 H new ATOM 0 HH21 ARG A 35 24.317 5.822 11.667 1.00 9.19 H new ATOM 0 HH22 ARG A 35 25.957 6.259 12.159 1.00 9.19 H new ATOM 469 N GLU A 36 25.281 6.317 5.221 1.00 3.88 N ATOM 470 CA GLU A 36 25.536 7.693 5.605 1.00 4.33 C ATOM 471 C GLU A 36 24.821 8.641 4.652 1.00 3.97 C ATOM 472 O GLU A 36 24.307 9.684 5.054 1.00 4.78 O ATOM 473 CB GLU A 36 27.028 7.965 5.593 1.00 4.67 C ATOM 474 CG GLU A 36 27.798 7.208 6.643 1.00 4.99 C ATOM 475 CD GLU A 36 29.257 7.033 6.280 1.00 5.54 C ATOM 476 OE1 GLU A 36 29.697 7.596 5.255 1.00 5.83 O ATOM 477 OE2 GLU A 36 29.973 6.331 7.023 1.00 5.95 O ATOM 0 H GLU A 36 26.084 5.840 4.811 1.00 3.88 H new ATOM 0 HA GLU A 36 25.156 7.857 6.613 1.00 4.33 H new ATOM 0 HB2 GLU A 36 27.425 7.709 4.611 1.00 4.67 H new ATOM 0 HB3 GLU A 36 27.193 9.033 5.735 1.00 4.67 H new ATOM 0 HG2 GLU A 36 27.725 7.736 7.594 1.00 4.99 H new ATOM 0 HG3 GLU A 36 27.343 6.228 6.787 1.00 4.99 H new ATOM 484 N LYS A 37 24.786 8.232 3.390 1.00 3.11 N ATOM 485 CA LYS A 37 24.150 8.980 2.311 1.00 3.31 C ATOM 486 C LYS A 37 22.700 9.344 2.640 1.00 3.41 C ATOM 487 O LYS A 37 22.255 10.476 2.443 1.00 4.34 O ATOM 488 CB LYS A 37 24.163 8.114 1.053 1.00 2.99 C ATOM 489 CG LYS A 37 23.485 8.767 -0.122 1.00 3.65 C ATOM 490 CD LYS A 37 22.920 7.736 -1.084 1.00 3.97 C ATOM 491 CE LYS A 37 24.006 7.056 -1.900 1.00 5.00 C ATOM 492 NZ LYS A 37 24.822 8.037 -2.663 1.00 5.78 N ATOM 0 H LYS A 37 25.206 7.355 3.081 1.00 3.11 H new ATOM 0 HA LYS A 37 24.704 9.908 2.167 1.00 3.31 H new ATOM 0 HB2 LYS A 37 25.195 7.885 0.788 1.00 2.99 H new ATOM 0 HB3 LYS A 37 23.671 7.165 1.267 1.00 2.99 H new ATOM 0 HG2 LYS A 37 22.682 9.413 0.233 1.00 3.65 H new ATOM 0 HG3 LYS A 37 24.198 9.403 -0.647 1.00 3.65 H new ATOM 0 HD2 LYS A 37 22.365 6.984 -0.523 1.00 3.97 H new ATOM 0 HD3 LYS A 37 22.211 8.219 -1.757 1.00 3.97 H new ATOM 0 HE2 LYS A 37 24.654 6.483 -1.236 1.00 5.00 H new ATOM 0 HE3 LYS A 37 23.551 6.347 -2.591 1.00 5.00 H new ATOM 0 HZ1 LYS A 37 25.281 7.558 -3.464 1.00 5.78 H new ATOM 0 HZ2 LYS A 37 24.208 8.797 -3.020 1.00 5.78 H new ATOM 0 HZ3 LYS A 37 25.549 8.443 -2.040 1.00 5.78 H new ATOM 506 N VAL A 38 21.993 8.366 3.157 1.00 2.59 N ATOM 507 CA VAL A 38 20.602 8.544 3.490 1.00 2.60 C ATOM 508 C VAL A 38 20.415 9.116 4.891 1.00 3.45 C ATOM 509 O VAL A 38 19.477 9.869 5.120 1.00 4.01 O ATOM 510 CB VAL A 38 19.770 7.264 3.320 1.00 1.59 C ATOM 511 CG1 VAL A 38 20.448 6.298 2.382 1.00 1.78 C ATOM 512 CG2 VAL A 38 19.465 6.608 4.647 1.00 1.68 C ATOM 0 H VAL A 38 22.362 7.436 3.356 1.00 2.59 H new ATOM 0 HA VAL A 38 20.226 9.270 2.769 1.00 2.60 H new ATOM 0 HB VAL A 38 18.817 7.555 2.878 1.00 1.59 H new ATOM 0 HG11 VAL A 38 19.837 5.401 2.280 1.00 1.78 H new ATOM 0 HG12 VAL A 38 20.572 6.766 1.405 1.00 1.78 H new ATOM 0 HG13 VAL A 38 21.425 6.028 2.782 1.00 1.78 H new ATOM 0 HG21 VAL A 38 18.875 5.707 4.480 1.00 1.68 H new ATOM 0 HG22 VAL A 38 20.398 6.344 5.145 1.00 1.68 H new ATOM 0 HG23 VAL A 38 18.902 7.299 5.274 1.00 1.68 H new ATOM 516 N GLU A 39 21.305 8.774 5.826 1.00 3.88 N ATOM 517 CA GLU A 39 21.210 9.273 7.172 1.00 5.08 C ATOM 518 C GLU A 39 21.378 10.773 7.164 1.00 6.00 C ATOM 519 O GLU A 39 20.687 11.497 7.882 1.00 6.91 O ATOM 520 CB GLU A 39 22.274 8.611 8.030 1.00 5.69 C ATOM 521 CG GLU A 39 21.979 7.151 8.321 1.00 5.68 C ATOM 522 CD GLU A 39 22.204 6.769 9.768 1.00 6.80 C ATOM 523 OE1 GLU A 39 22.221 7.667 10.631 1.00 7.39 O ATOM 524 OE2 GLU A 39 22.373 5.562 10.049 1.00 7.26 O ATOM 0 H GLU A 39 22.096 8.151 5.661 1.00 3.88 H new ATOM 0 HA GLU A 39 20.232 9.038 7.591 1.00 5.08 H new ATOM 0 HB2 GLU A 39 23.238 8.688 7.527 1.00 5.69 H new ATOM 0 HB3 GLU A 39 22.362 9.153 8.972 1.00 5.69 H new ATOM 0 HG2 GLU A 39 20.944 6.937 8.053 1.00 5.68 H new ATOM 0 HG3 GLU A 39 22.608 6.527 7.686 1.00 5.68 H new ATOM 531 N ALA A 40 22.304 11.231 6.341 1.00 5.87 N ATOM 532 CA ALA A 40 22.550 12.649 6.197 1.00 6.87 C ATOM 533 C ALA A 40 21.315 13.324 5.632 1.00 7.09 C ATOM 534 O ALA A 40 20.925 14.407 6.066 1.00 8.16 O ATOM 535 CB ALA A 40 23.758 12.899 5.307 1.00 6.81 C ATOM 0 H ALA A 40 22.898 10.637 5.762 1.00 5.87 H new ATOM 0 HA ALA A 40 22.767 13.073 7.177 1.00 6.87 H new ATOM 0 HB1 ALA A 40 23.925 13.972 5.213 1.00 6.81 H new ATOM 0 HB2 ALA A 40 24.638 12.433 5.749 1.00 6.81 H new ATOM 0 HB3 ALA A 40 23.578 12.472 4.321 1.00 6.81 H new ATOM 541 N ALA A 41 20.700 12.655 4.664 1.00 6.17 N ATOM 542 CA ALA A 41 19.498 13.144 4.034 1.00 6.47 C ATOM 543 C ALA A 41 18.398 13.225 5.071 1.00 6.62 C ATOM 544 O ALA A 41 17.700 14.232 5.186 1.00 7.57 O ATOM 545 CB ALA A 41 19.099 12.227 2.892 1.00 5.68 C ATOM 0 H ALA A 41 21.027 11.760 4.300 1.00 6.17 H new ATOM 0 HA ALA A 41 19.672 14.138 3.621 1.00 6.47 H new ATOM 0 HB1 ALA A 41 18.191 12.604 2.423 1.00 5.68 H new ATOM 0 HB2 ALA A 41 19.901 12.194 2.155 1.00 5.68 H new ATOM 0 HB3 ALA A 41 18.918 11.224 3.277 1.00 5.68 H new ATOM 551 N MET A 42 18.291 12.162 5.859 1.00 5.83 N ATOM 552 CA MET A 42 17.308 12.071 6.915 1.00 6.11 C ATOM 553 C MET A 42 17.435 13.242 7.866 1.00 7.48 C ATOM 554 O MET A 42 16.456 13.844 8.282 1.00 8.06 O ATOM 555 CB MET A 42 17.522 10.796 7.728 1.00 5.37 C ATOM 556 CG MET A 42 17.153 9.505 7.026 1.00 5.60 C ATOM 557 SD MET A 42 17.515 8.067 8.053 1.00 6.10 S ATOM 558 CE MET A 42 16.859 6.753 7.038 1.00 6.80 C ATOM 0 H MET A 42 18.889 11.340 5.778 1.00 5.83 H new ATOM 0 HA MET A 42 16.324 12.069 6.447 1.00 6.11 H new ATOM 0 HB2 MET A 42 18.571 10.744 8.020 1.00 5.37 H new ATOM 0 HB3 MET A 42 16.939 10.869 8.646 1.00 5.37 H new ATOM 0 HG2 MET A 42 16.092 9.516 6.775 1.00 5.60 H new ATOM 0 HG3 MET A 42 17.702 9.430 6.087 1.00 5.60 H new ATOM 0 HE1 MET A 42 16.530 5.931 7.674 1.00 6.80 H new ATOM 0 HE2 MET A 42 16.013 7.127 6.461 1.00 6.80 H new ATOM 0 HE3 MET A 42 17.633 6.398 6.358 1.00 6.80 H new ATOM 568 N ALA A 43 18.671 13.544 8.174 1.00 8.03 N ATOM 569 CA ALA A 43 19.032 14.600 9.115 1.00 9.31 C ATOM 570 C ALA A 43 18.601 15.993 8.678 1.00 10.25 C ATOM 571 O ALA A 43 17.994 16.730 9.453 1.00 11.28 O ATOM 572 CB ALA A 43 20.532 14.581 9.343 1.00 9.57 C ATOM 0 H ALA A 43 19.476 13.060 7.776 1.00 8.03 H new ATOM 0 HA ALA A 43 18.491 14.388 10.037 1.00 9.31 H new ATOM 0 HB1 ALA A 43 20.803 15.369 10.045 1.00 9.57 H new ATOM 0 HB2 ALA A 43 20.826 13.614 9.751 1.00 9.57 H new ATOM 0 HB3 ALA A 43 21.046 14.746 8.396 1.00 9.57 H new ATOM 578 N GLU A 44 18.918 16.352 7.447 1.00 9.94 N ATOM 579 CA GLU A 44 18.604 17.674 6.926 1.00 10.91 C ATOM 580 C GLU A 44 17.121 17.954 6.969 1.00 11.00 C ATOM 581 O GLU A 44 16.673 19.011 7.418 1.00 11.96 O ATOM 582 CB GLU A 44 19.093 17.787 5.503 1.00 10.69 C ATOM 583 CG GLU A 44 20.542 17.391 5.351 1.00 10.14 C ATOM 584 CD GLU A 44 21.280 18.191 4.297 1.00 10.80 C ATOM 585 OE1 GLU A 44 20.826 19.304 3.961 1.00 10.65 O ATOM 586 OE2 GLU A 44 22.319 17.709 3.795 1.00 11.61 O ATOM 0 H GLU A 44 19.396 15.743 6.784 1.00 9.94 H new ATOM 0 HA GLU A 44 19.105 18.408 7.557 1.00 10.91 H new ATOM 0 HB2 GLU A 44 18.479 17.155 4.861 1.00 10.69 H new ATOM 0 HB3 GLU A 44 18.963 18.813 5.159 1.00 10.69 H new ATOM 0 HG2 GLU A 44 21.047 17.515 6.309 1.00 10.14 H new ATOM 0 HG3 GLU A 44 20.596 16.333 5.097 1.00 10.14 H new ATOM 593 N LEU A 45 16.374 16.991 6.496 1.00 10.01 N ATOM 594 CA LEU A 45 14.934 17.081 6.438 1.00 9.84 C ATOM 595 C LEU A 45 14.278 16.811 7.791 1.00 9.73 C ATOM 596 O LEU A 45 13.158 17.257 8.036 1.00 9.79 O ATOM 597 CB LEU A 45 14.427 16.065 5.427 1.00 8.74 C ATOM 598 CG LEU A 45 15.296 15.898 4.181 1.00 8.44 C ATOM 599 CD1 LEU A 45 15.221 14.481 3.640 1.00 7.77 C ATOM 600 CD2 LEU A 45 14.869 16.877 3.120 1.00 8.82 C ATOM 0 H LEU A 45 16.749 16.113 6.136 1.00 10.01 H new ATOM 0 HA LEU A 45 14.671 18.098 6.146 1.00 9.84 H new ATOM 0 HB2 LEU A 45 14.339 15.097 5.921 1.00 8.74 H new ATOM 0 HB3 LEU A 45 13.424 16.356 5.115 1.00 8.74 H new ATOM 0 HG LEU A 45 16.330 16.097 4.463 1.00 8.44 H new ATOM 0 HD11 LEU A 45 15.850 14.396 2.754 1.00 7.77 H new ATOM 0 HD12 LEU A 45 15.569 13.782 4.401 1.00 7.77 H new ATOM 0 HD13 LEU A 45 14.190 14.246 3.376 1.00 7.77 H new ATOM 0 HD21 LEU A 45 15.494 16.751 2.236 1.00 8.82 H new ATOM 0 HD22 LEU A 45 13.827 16.697 2.857 1.00 8.82 H new ATOM 0 HD23 LEU A 45 14.977 17.894 3.498 1.00 8.82 H new ATOM 606 N ASN A 46 14.990 16.090 8.655 1.00 9.67 N ATOM 607 CA ASN A 46 14.487 15.691 9.973 1.00 9.86 C ATOM 608 C ASN A 46 13.459 14.582 9.764 1.00 8.96 C ATOM 609 O ASN A 46 12.268 14.718 10.041 1.00 9.31 O ATOM 610 CB ASN A 46 13.918 16.880 10.740 1.00 11.24 C ATOM 611 CG ASN A 46 13.315 16.521 12.077 1.00 11.76 C ATOM 612 OD1 ASN A 46 12.101 16.366 12.217 1.00 11.96 O ATOM 613 ND2 ASN A 46 14.159 16.403 13.071 1.00 12.13 N ATOM 0 H ASN A 46 15.937 15.763 8.462 1.00 9.67 H new ATOM 0 HA ASN A 46 15.302 15.314 10.591 1.00 9.86 H new ATOM 0 HB2 ASN A 46 14.711 17.611 10.896 1.00 11.24 H new ATOM 0 HB3 ASN A 46 13.156 17.362 10.128 1.00 11.24 H new ATOM 0 HD21 ASN A 46 13.818 16.174 14.005 1.00 12.13 H new ATOM 0 HD22 ASN A 46 15.157 16.540 12.911 1.00 12.13 H new ATOM 620 N TYR A 47 13.958 13.494 9.208 1.00 7.78 N ATOM 621 CA TYR A 47 13.155 12.330 8.875 1.00 6.85 C ATOM 622 C TYR A 47 12.710 11.536 10.091 1.00 7.42 C ATOM 623 O TYR A 47 13.490 11.259 11.001 1.00 8.24 O ATOM 624 CB TYR A 47 13.939 11.392 7.956 1.00 5.81 C ATOM 625 CG TYR A 47 13.217 10.085 7.702 1.00 4.75 C ATOM 626 CD1 TYR A 47 12.017 10.056 7.009 1.00 4.23 C ATOM 627 CD2 TYR A 47 13.722 8.884 8.183 1.00 4.55 C ATOM 628 CE1 TYR A 47 11.341 8.871 6.803 1.00 3.38 C ATOM 629 CE2 TYR A 47 13.053 7.699 7.975 1.00 3.81 C ATOM 630 CZ TYR A 47 11.864 7.697 7.288 1.00 3.10 C ATOM 631 OH TYR A 47 11.192 6.516 7.085 1.00 2.58 O ATOM 0 H TYR A 47 14.945 13.391 8.972 1.00 7.78 H new ATOM 0 HA TYR A 47 12.264 12.716 8.380 1.00 6.85 H new ATOM 0 HB2 TYR A 47 14.123 11.892 7.005 1.00 5.81 H new ATOM 0 HB3 TYR A 47 14.912 11.184 8.400 1.00 5.81 H new ATOM 0 HD1 TYR A 47 11.604 10.977 6.624 1.00 4.23 H new ATOM 0 HD2 TYR A 47 14.654 8.880 8.729 1.00 4.55 H new ATOM 0 HE1 TYR A 47 10.406 8.866 6.263 1.00 3.38 H new ATOM 0 HE2 TYR A 47 13.462 6.773 8.351 1.00 3.81 H new ATOM 0 HH TYR A 47 10.368 6.690 6.584 1.00 2.58 H new ATOM 641 N ILE A 48 11.441 11.163 10.076 1.00 7.07 N ATOM 642 CA ILE A 48 10.848 10.345 11.112 1.00 7.67 C ATOM 643 C ILE A 48 9.876 9.384 10.437 1.00 6.96 C ATOM 644 O ILE A 48 8.963 9.821 9.735 1.00 6.70 O ATOM 645 CB ILE A 48 10.113 11.186 12.180 1.00 8.58 C ATOM 646 CG1 ILE A 48 11.108 12.102 12.901 1.00 8.92 C ATOM 647 CG2 ILE A 48 9.397 10.279 13.175 1.00 9.60 C ATOM 648 CD1 ILE A 48 10.645 12.579 14.257 1.00 10.05 C ATOM 0 H ILE A 48 10.790 11.424 9.335 1.00 7.07 H new ATOM 0 HA ILE A 48 11.638 9.807 11.637 1.00 7.67 H new ATOM 0 HB ILE A 48 9.364 11.805 11.686 1.00 8.58 H new ATOM 0 HG12 ILE A 48 12.053 11.571 13.019 1.00 8.92 H new ATOM 0 HG13 ILE A 48 11.306 12.970 12.272 1.00 8.92 H new ATOM 0 HG21 ILE A 48 8.885 10.888 13.920 1.00 9.60 H new ATOM 0 HG22 ILE A 48 8.669 9.663 12.647 1.00 9.60 H new ATOM 0 HG23 ILE A 48 10.125 9.636 13.670 1.00 9.60 H new ATOM 0 HD11 ILE A 48 11.408 13.221 14.697 1.00 10.05 H new ATOM 0 HD12 ILE A 48 9.717 13.140 14.148 1.00 10.05 H new ATOM 0 HD13 ILE A 48 10.475 11.720 14.906 1.00 10.05 H new ATOM 652 N PRO A 49 10.075 8.069 10.598 1.00 6.87 N ATOM 653 CA PRO A 49 9.217 7.069 9.973 1.00 6.51 C ATOM 654 C PRO A 49 7.901 6.916 10.715 1.00 5.27 C ATOM 655 O PRO A 49 7.728 7.470 11.802 1.00 5.24 O ATOM 656 CB PRO A 49 10.047 5.791 10.043 1.00 6.99 C ATOM 657 CG PRO A 49 10.953 5.972 11.213 1.00 7.01 C ATOM 658 CD PRO A 49 11.122 7.458 11.432 1.00 7.36 C ATOM 0 HA PRO A 49 8.936 7.336 8.954 1.00 6.51 H new ATOM 0 HB2 PRO A 49 9.410 4.915 10.171 1.00 6.99 H new ATOM 0 HB3 PRO A 49 10.615 5.641 9.125 1.00 6.99 H new ATOM 0 HG2 PRO A 49 10.532 5.499 12.100 1.00 7.01 H new ATOM 0 HG3 PRO A 49 11.918 5.500 11.027 1.00 7.01 H new ATOM 0 HD2 PRO A 49 10.999 7.722 12.482 1.00 7.36 H new ATOM 0 HD3 PRO A 49 12.115 7.794 11.133 1.00 7.36 H new ATOM 666 N ASN A 50 6.974 6.154 10.159 1.00 4.55 N ATOM 667 CA ASN A 50 5.689 5.970 10.785 1.00 3.45 C ATOM 668 C ASN A 50 5.611 4.562 11.342 1.00 3.10 C ATOM 669 O ASN A 50 5.827 3.591 10.619 1.00 2.62 O ATOM 670 CB ASN A 50 4.574 6.221 9.767 1.00 3.29 C ATOM 671 CG ASN A 50 4.045 7.631 9.831 1.00 3.62 C ATOM 672 OD1 ASN A 50 3.716 8.142 10.899 1.00 4.20 O ATOM 673 ND2 ASN A 50 3.967 8.276 8.684 1.00 3.84 N ATOM 0 H ASN A 50 7.093 5.656 9.277 1.00 4.55 H new ATOM 0 HA ASN A 50 5.564 6.681 11.602 1.00 3.45 H new ATOM 0 HB2 ASN A 50 4.950 6.022 8.764 1.00 3.29 H new ATOM 0 HB3 ASN A 50 3.758 5.521 9.946 1.00 3.29 H new ATOM 0 HD21 ASN A 50 3.623 9.236 8.661 1.00 3.84 H new ATOM 0 HD22 ASN A 50 4.250 7.815 7.819 1.00 3.84 H new ATOM 680 N ARG A 51 5.292 4.464 12.622 1.00 3.89 N ATOM 681 CA ARG A 51 5.236 3.186 13.323 1.00 4.34 C ATOM 682 C ARG A 51 4.304 2.166 12.665 1.00 3.81 C ATOM 683 O ARG A 51 4.568 0.969 12.725 1.00 4.28 O ATOM 684 CB ARG A 51 4.814 3.412 14.772 1.00 5.51 C ATOM 685 CG ARG A 51 5.399 2.401 15.750 1.00 6.26 C ATOM 686 CD ARG A 51 6.904 2.528 15.854 1.00 6.58 C ATOM 687 NE ARG A 51 7.568 1.227 15.777 1.00 7.49 N ATOM 688 CZ ARG A 51 8.819 1.042 15.345 1.00 8.15 C ATOM 689 NH1 ARG A 51 9.552 2.070 14.944 1.00 8.03 N ATOM 690 NH2 ARG A 51 9.340 -0.176 15.324 1.00 9.09 N ATOM 0 H ARG A 51 5.064 5.267 13.207 1.00 3.89 H new ATOM 0 HA ARG A 51 6.239 2.762 13.277 1.00 4.34 H new ATOM 0 HB2 ARG A 51 5.116 4.414 15.076 1.00 5.51 H new ATOM 0 HB3 ARG A 51 3.726 3.375 14.833 1.00 5.51 H new ATOM 0 HG2 ARG A 51 4.953 2.546 16.734 1.00 6.26 H new ATOM 0 HG3 ARG A 51 5.140 1.392 15.429 1.00 6.26 H new ATOM 0 HD2 ARG A 51 7.270 3.170 15.053 1.00 6.58 H new ATOM 0 HD3 ARG A 51 7.163 3.013 16.795 1.00 6.58 H new ATOM 0 HE ARG A 51 7.041 0.406 16.073 1.00 7.49 H new ATOM 0 HH11 ARG A 51 9.162 3.012 14.963 1.00 8.03 H new ATOM 0 HH12 ARG A 51 10.506 1.919 14.616 1.00 8.03 H new ATOM 0 HH21 ARG A 51 8.786 -0.973 15.638 1.00 9.09 H new ATOM 0 HH22 ARG A 51 10.295 -0.317 14.994 1.00 9.09 H new ATOM 704 N CYS A 52 3.261 2.629 11.993 1.00 3.19 N ATOM 705 CA CYS A 52 2.301 1.727 11.381 1.00 2.95 C ATOM 706 C CYS A 52 2.807 1.237 10.050 1.00 2.88 C ATOM 707 O CYS A 52 2.784 0.047 9.773 1.00 3.71 O ATOM 708 CB CYS A 52 0.959 2.426 11.219 1.00 2.58 C ATOM 709 SG CYS A 52 -0.480 1.336 11.461 1.00 2.86 S ATOM 0 H CYS A 52 3.059 3.620 11.859 1.00 3.19 H new ATOM 0 HA CYS A 52 2.169 0.863 12.032 1.00 2.95 H new ATOM 0 HB2 CYS A 52 0.902 3.249 11.931 1.00 2.58 H new ATOM 0 HB3 CYS A 52 0.907 2.863 10.222 1.00 2.58 H new ATOM 714 N ALA A 53 3.232 2.162 9.220 1.00 2.29 N ATOM 715 CA ALA A 53 3.781 1.812 7.923 1.00 2.63 C ATOM 716 C ALA A 53 4.863 0.752 8.084 1.00 3.31 C ATOM 717 O ALA A 53 4.963 -0.175 7.284 1.00 4.21 O ATOM 718 CB ALA A 53 4.324 3.049 7.240 1.00 2.26 C ATOM 0 H ALA A 53 3.210 3.163 9.416 1.00 2.29 H new ATOM 0 HA ALA A 53 2.991 1.398 7.296 1.00 2.63 H new ATOM 0 HB1 ALA A 53 4.734 2.777 6.267 1.00 2.26 H new ATOM 0 HB2 ALA A 53 3.520 3.773 7.106 1.00 2.26 H new ATOM 0 HB3 ALA A 53 5.109 3.489 7.855 1.00 2.26 H new ATOM 724 N GLN A 54 5.652 0.892 9.146 1.00 3.34 N ATOM 725 CA GLN A 54 6.708 -0.045 9.459 1.00 4.41 C ATOM 726 C GLN A 54 6.116 -1.375 9.917 1.00 5.45 C ATOM 727 O GLN A 54 6.592 -2.443 9.544 1.00 6.36 O ATOM 728 CB GLN A 54 7.589 0.546 10.554 1.00 4.66 C ATOM 729 CG GLN A 54 8.265 1.835 10.136 1.00 3.96 C ATOM 730 CD GLN A 54 9.488 2.128 10.945 1.00 3.99 C ATOM 731 OE1 GLN A 54 9.441 2.847 11.942 1.00 4.81 O ATOM 732 NE2 GLN A 54 10.590 1.567 10.518 1.00 3.29 N ATOM 0 H GLN A 54 5.571 1.662 9.810 1.00 3.34 H new ATOM 0 HA GLN A 54 7.309 -0.227 8.568 1.00 4.41 H new ATOM 0 HB2 GLN A 54 6.983 0.731 11.441 1.00 4.66 H new ATOM 0 HB3 GLN A 54 8.350 -0.183 10.834 1.00 4.66 H new ATOM 0 HG2 GLN A 54 8.536 1.774 9.082 1.00 3.96 H new ATOM 0 HG3 GLN A 54 7.560 2.660 10.237 1.00 3.96 H new ATOM 0 HE21 GLN A 54 10.573 0.979 9.685 1.00 3.29 H new ATOM 0 HE22 GLN A 54 11.466 1.717 11.018 1.00 3.29 H new ATOM 739 N GLN A 55 5.071 -1.286 10.730 1.00 5.39 N ATOM 740 CA GLN A 55 4.405 -2.467 11.253 1.00 6.43 C ATOM 741 C GLN A 55 3.754 -3.254 10.132 1.00 6.63 C ATOM 742 O GLN A 55 3.905 -4.472 10.041 1.00 7.65 O ATOM 743 CB GLN A 55 3.366 -2.068 12.291 1.00 6.55 C ATOM 744 CG GLN A 55 3.942 -1.816 13.669 1.00 6.70 C ATOM 745 CD GLN A 55 5.325 -2.399 13.838 1.00 7.86 C ATOM 746 OE1 GLN A 55 5.489 -3.563 14.210 1.00 7.98 O ATOM 747 NE2 GLN A 55 6.325 -1.587 13.556 1.00 8.84 N ATOM 0 H GLN A 55 4.667 -0.403 11.041 1.00 5.39 H new ATOM 0 HA GLN A 55 5.152 -3.102 11.729 1.00 6.43 H new ATOM 0 HB2 GLN A 55 2.854 -1.167 11.951 1.00 6.55 H new ATOM 0 HB3 GLN A 55 2.615 -2.855 12.360 1.00 6.55 H new ATOM 0 HG2 GLN A 55 3.980 -0.742 13.852 1.00 6.70 H new ATOM 0 HG3 GLN A 55 3.278 -2.244 14.420 1.00 6.70 H new ATOM 0 HE21 GLN A 55 6.136 -0.632 13.252 1.00 8.84 H new ATOM 0 HE22 GLN A 55 7.287 -1.914 13.642 1.00 8.84 H new ATOM 754 N LEU A 56 3.024 -2.547 9.288 1.00 5.82 N ATOM 755 CA LEU A 56 2.352 -3.160 8.160 1.00 6.26 C ATOM 756 C LEU A 56 3.352 -3.773 7.179 1.00 7.28 C ATOM 757 O LEU A 56 3.345 -4.977 6.928 1.00 8.06 O ATOM 758 CB LEU A 56 1.528 -2.091 7.447 1.00 5.52 C ATOM 759 CG LEU A 56 0.354 -2.624 6.645 1.00 5.69 C ATOM 760 CD1 LEU A 56 -0.520 -3.439 7.552 1.00 5.59 C ATOM 761 CD2 LEU A 56 -0.442 -1.494 6.021 1.00 5.39 C ATOM 0 H LEU A 56 2.882 -1.540 9.365 1.00 5.82 H new ATOM 0 HA LEU A 56 1.711 -3.962 8.526 1.00 6.26 H new ATOM 0 HB2 LEU A 56 1.153 -1.386 8.189 1.00 5.52 H new ATOM 0 HB3 LEU A 56 2.183 -1.532 6.779 1.00 5.52 H new ATOM 0 HG LEU A 56 0.730 -3.246 5.833 1.00 5.69 H new ATOM 0 HD11 LEU A 56 -1.368 -3.828 6.988 1.00 5.59 H new ATOM 0 HD12 LEU A 56 0.055 -4.270 7.962 1.00 5.59 H new ATOM 0 HD13 LEU A 56 -0.883 -2.813 8.367 1.00 5.59 H new ATOM 0 HD21 LEU A 56 -1.276 -1.907 5.453 1.00 5.39 H new ATOM 0 HD22 LEU A 56 -0.825 -0.842 6.806 1.00 5.39 H new ATOM 0 HD23 LEU A 56 0.202 -0.920 5.355 1.00 5.39 H new ATOM 767 N ALA A 57 4.208 -2.920 6.653 1.00 7.34 N ATOM 768 CA ALA A 57 5.229 -3.338 5.691 1.00 8.24 C ATOM 769 C ALA A 57 6.156 -4.409 6.263 1.00 9.32 C ATOM 770 O ALA A 57 6.702 -5.230 5.525 1.00 10.11 O ATOM 771 CB ALA A 57 6.029 -2.144 5.200 1.00 8.30 C ATOM 0 H ALA A 57 4.223 -1.924 6.873 1.00 7.34 H new ATOM 0 HA ALA A 57 4.707 -3.782 4.843 1.00 8.24 H new ATOM 0 HB1 ALA A 57 6.782 -2.479 4.486 1.00 8.30 H new ATOM 0 HB2 ALA A 57 5.360 -1.433 4.715 1.00 8.30 H new ATOM 0 HB3 ALA A 57 6.520 -1.662 6.046 1.00 8.30 H new ATOM 777 N GLY A 58 6.336 -4.402 7.575 1.00 9.47 N ATOM 778 CA GLY A 58 7.180 -5.390 8.210 1.00 10.56 C ATOM 779 C GLY A 58 6.439 -6.693 8.446 1.00 11.35 C ATOM 780 O GLY A 58 7.040 -7.707 8.800 1.00 12.26 O ATOM 0 H GLY A 58 5.911 -3.728 8.212 1.00 9.47 H new ATOM 0 HA2 GLY A 58 8.054 -5.576 7.587 1.00 10.56 H new ATOM 0 HA3 GLY A 58 7.544 -5.001 9.161 1.00 10.56 H new ATOM 784 N LYS A 59 5.130 -6.667 8.236 1.00 11.16 N ATOM 785 CA LYS A 59 4.293 -7.839 8.425 1.00 12.06 C ATOM 786 C LYS A 59 3.961 -8.482 7.081 1.00 12.61 C ATOM 787 O LYS A 59 2.896 -9.081 6.911 1.00 13.49 O ATOM 788 CB LYS A 59 3.004 -7.452 9.144 1.00 12.17 C ATOM 789 CG LYS A 59 2.400 -8.574 9.972 1.00 13.28 C ATOM 790 CD LYS A 59 0.952 -8.284 10.333 1.00 13.70 C ATOM 791 CE LYS A 59 0.031 -8.505 9.145 1.00 13.92 C ATOM 792 NZ LYS A 59 0.026 -9.922 8.707 1.00 14.63 N ATOM 0 H LYS A 59 4.622 -5.836 7.931 1.00 11.16 H new ATOM 0 HA LYS A 59 4.841 -8.559 9.033 1.00 12.06 H new ATOM 0 HB2 LYS A 59 3.204 -6.601 9.795 1.00 12.17 H new ATOM 0 HB3 LYS A 59 2.272 -7.124 8.406 1.00 12.17 H new ATOM 0 HG2 LYS A 59 2.457 -9.509 9.415 1.00 13.28 H new ATOM 0 HG3 LYS A 59 2.983 -8.709 10.883 1.00 13.28 H new ATOM 0 HD2 LYS A 59 0.645 -8.927 11.158 1.00 13.70 H new ATOM 0 HD3 LYS A 59 0.861 -7.255 10.680 1.00 13.70 H new ATOM 0 HE2 LYS A 59 -0.982 -8.203 9.410 1.00 13.92 H new ATOM 0 HE3 LYS A 59 0.347 -7.870 8.317 1.00 13.92 H new ATOM 0 HZ1 LYS A 59 -0.846 -10.118 8.175 1.00 14.63 H new ATOM 0 HZ2 LYS A 59 0.850 -10.100 8.098 1.00 14.63 H new ATOM 0 HZ3 LYS A 59 0.070 -10.543 9.540 1.00 14.63 H new ATOM 888 N PRO B 103 -5.368 -16.623 7.099 1.00 3.93 N ATOM 889 CA PRO B 103 -6.219 -15.749 7.902 1.00 3.60 C ATOM 890 C PRO B 103 -7.364 -15.161 7.089 1.00 3.24 C ATOM 891 O PRO B 103 -7.426 -15.324 5.867 1.00 3.27 O ATOM 892 CB PRO B 103 -5.284 -14.632 8.372 1.00 3.69 C ATOM 893 CG PRO B 103 -3.904 -15.073 8.013 1.00 4.16 C ATOM 894 CD PRO B 103 -4.050 -16.017 6.857 1.00 4.23 C ATOM 0 HA PRO B 103 -6.685 -16.295 8.722 1.00 3.60 H new ATOM 0 HB2 PRO B 103 -5.530 -13.687 7.887 1.00 3.69 H new ATOM 0 HB3 PRO B 103 -5.376 -14.473 9.446 1.00 3.69 H new ATOM 0 HG2 PRO B 103 -3.282 -14.220 7.742 1.00 4.16 H new ATOM 0 HG3 PRO B 103 -3.421 -15.565 8.858 1.00 4.16 H new ATOM 0 HD2 PRO B 103 -4.014 -15.495 5.901 1.00 4.23 H new ATOM 0 HD3 PRO B 103 -3.257 -16.765 6.842 1.00 4.23 H new ATOM 902 N VAL B 104 -8.262 -14.471 7.768 1.00 2.99 N ATOM 903 CA VAL B 104 -9.400 -13.855 7.118 1.00 2.67 C ATOM 904 C VAL B 104 -9.142 -12.381 6.897 1.00 2.45 C ATOM 905 O VAL B 104 -8.439 -11.741 7.681 1.00 2.61 O ATOM 906 CB VAL B 104 -10.689 -13.992 7.936 1.00 2.51 C ATOM 907 CG1 VAL B 104 -11.903 -13.762 7.057 1.00 2.07 C ATOM 908 CG2 VAL B 104 -10.752 -15.347 8.623 1.00 3.04 C ATOM 0 H VAL B 104 -8.223 -14.324 8.777 1.00 2.99 H new ATOM 0 HA VAL B 104 -9.531 -14.376 6.170 1.00 2.67 H new ATOM 0 HB VAL B 104 -10.688 -13.228 8.713 1.00 2.51 H new ATOM 0 HG11 VAL B 104 -12.809 -13.863 7.654 1.00 2.07 H new ATOM 0 HG12 VAL B 104 -11.859 -12.760 6.631 1.00 2.07 H new ATOM 0 HG13 VAL B 104 -11.915 -14.498 6.253 1.00 2.07 H new ATOM 0 HG21 VAL B 104 -11.675 -15.421 9.197 1.00 3.04 H new ATOM 0 HG22 VAL B 104 -10.727 -16.137 7.872 1.00 3.04 H new ATOM 0 HG23 VAL B 104 -9.899 -15.456 9.292 1.00 3.04 H new ATOM 912 N THR B 105 -9.735 -11.848 5.852 1.00 2.19 N ATOM 913 CA THR B 105 -9.565 -10.443 5.523 1.00 2.02 C ATOM 914 C THR B 105 -10.821 -9.894 4.875 1.00 1.76 C ATOM 915 O THR B 105 -11.777 -10.634 4.641 1.00 1.76 O ATOM 916 CB THR B 105 -8.365 -10.231 4.576 1.00 2.29 C ATOM 917 OG1 THR B 105 -8.351 -11.261 3.579 1.00 2.46 O ATOM 918 CG2 THR B 105 -7.044 -10.226 5.342 1.00 2.83 C ATOM 0 H THR B 105 -10.340 -12.363 5.213 1.00 2.19 H new ATOM 0 HA THR B 105 -9.373 -9.909 6.454 1.00 2.02 H new ATOM 0 HB THR B 105 -8.476 -9.258 4.097 1.00 2.29 H new ATOM 0 HG1 THR B 105 -7.589 -11.124 2.978 1.00 2.46 H new ATOM 0 HG21 THR B 105 -6.220 -10.075 4.645 1.00 2.83 H new ATOM 0 HG22 THR B 105 -7.052 -9.420 6.075 1.00 2.83 H new ATOM 0 HG23 THR B 105 -6.916 -11.180 5.853 1.00 2.83 H new ATOM 923 N LEU B 106 -10.805 -8.603 4.564 1.00 1.62 N ATOM 924 CA LEU B 106 -11.968 -7.987 3.938 1.00 1.43 C ATOM 925 C LEU B 106 -12.117 -8.532 2.536 1.00 1.57 C ATOM 926 O LEU B 106 -13.199 -8.519 1.974 1.00 1.51 O ATOM 927 CB LEU B 106 -11.907 -6.457 3.893 1.00 1.45 C ATOM 928 CG LEU B 106 -10.589 -5.808 4.281 1.00 1.66 C ATOM 929 CD1 LEU B 106 -9.618 -5.840 3.117 1.00 2.20 C ATOM 930 CD2 LEU B 106 -10.829 -4.375 4.731 1.00 2.26 C ATOM 0 H LEU B 106 -10.019 -7.975 4.730 1.00 1.62 H new ATOM 0 HA LEU B 106 -12.831 -8.239 4.554 1.00 1.43 H new ATOM 0 HB2 LEU B 106 -12.157 -6.138 2.881 1.00 1.45 H new ATOM 0 HB3 LEU B 106 -12.683 -6.067 4.551 1.00 1.45 H new ATOM 0 HG LEU B 106 -10.152 -6.369 5.107 1.00 1.66 H new ATOM 0 HD11 LEU B 106 -8.680 -5.371 3.413 1.00 2.20 H new ATOM 0 HD12 LEU B 106 -9.431 -6.874 2.827 1.00 2.20 H new ATOM 0 HD13 LEU B 106 -10.044 -5.298 2.273 1.00 2.20 H new ATOM 0 HD21 LEU B 106 -9.880 -3.917 5.007 1.00 2.26 H new ATOM 0 HD22 LEU B 106 -11.282 -3.809 3.917 1.00 2.26 H new ATOM 0 HD23 LEU B 106 -11.498 -4.371 5.592 1.00 2.26 H new ATOM 936 N TYR B 107 -11.017 -9.034 1.993 1.00 1.84 N ATOM 937 CA TYR B 107 -11.001 -9.609 0.662 1.00 2.08 C ATOM 938 C TYR B 107 -11.848 -10.867 0.623 1.00 2.14 C ATOM 939 O TYR B 107 -12.565 -11.121 -0.341 1.00 2.25 O ATOM 940 CB TYR B 107 -9.568 -9.963 0.262 1.00 2.41 C ATOM 941 CG TYR B 107 -8.799 -8.831 -0.375 1.00 2.54 C ATOM 942 CD1 TYR B 107 -8.866 -8.612 -1.742 1.00 2.48 C ATOM 943 CD2 TYR B 107 -7.996 -7.993 0.389 1.00 2.95 C ATOM 944 CE1 TYR B 107 -8.156 -7.586 -2.333 1.00 2.66 C ATOM 945 CE2 TYR B 107 -7.287 -6.965 -0.195 1.00 3.16 C ATOM 946 CZ TYR B 107 -7.369 -6.765 -1.555 1.00 2.95 C ATOM 947 OH TYR B 107 -6.658 -5.744 -2.137 1.00 3.21 O ATOM 0 H TYR B 107 -10.113 -9.053 2.465 1.00 1.84 H new ATOM 0 HA TYR B 107 -11.407 -8.875 -0.035 1.00 2.08 H new ATOM 0 HB2 TYR B 107 -9.029 -10.298 1.148 1.00 2.41 H new ATOM 0 HB3 TYR B 107 -9.595 -10.803 -0.432 1.00 2.41 H new ATOM 0 HD1 TYR B 107 -9.483 -9.253 -2.354 1.00 2.48 H new ATOM 0 HD2 TYR B 107 -7.926 -8.149 1.455 1.00 2.95 H new ATOM 0 HE1 TYR B 107 -8.217 -7.428 -3.400 1.00 2.66 H new ATOM 0 HE2 TYR B 107 -6.670 -6.319 0.412 1.00 3.16 H new ATOM 0 HH TYR B 107 -6.156 -5.261 -1.448 1.00 3.21 H new ATOM 957 N ASP B 108 -11.758 -11.640 1.690 1.00 2.13 N ATOM 958 CA ASP B 108 -12.480 -12.894 1.802 1.00 2.26 C ATOM 959 C ASP B 108 -13.960 -12.656 1.975 1.00 1.98 C ATOM 960 O ASP B 108 -14.772 -13.230 1.256 1.00 2.08 O ATOM 961 CB ASP B 108 -11.931 -13.711 2.978 1.00 2.44 C ATOM 962 CG ASP B 108 -10.988 -14.806 2.522 1.00 3.03 C ATOM 963 OD1 ASP B 108 -11.473 -15.864 2.067 1.00 3.58 O ATOM 964 OD2 ASP B 108 -9.755 -14.607 2.598 1.00 3.15 O ATOM 0 H ASP B 108 -11.183 -11.416 2.502 1.00 2.13 H new ATOM 0 HA ASP B 108 -12.336 -13.455 0.879 1.00 2.26 H new ATOM 0 HB2 ASP B 108 -11.409 -13.047 3.667 1.00 2.44 H new ATOM 0 HB3 ASP B 108 -12.760 -14.154 3.529 1.00 2.44 H new ATOM 969 N VAL B 109 -14.319 -11.810 2.922 1.00 1.68 N ATOM 970 CA VAL B 109 -15.721 -11.530 3.148 1.00 1.42 C ATOM 971 C VAL B 109 -16.313 -10.731 1.988 1.00 1.35 C ATOM 972 O VAL B 109 -17.506 -10.814 1.728 1.00 1.34 O ATOM 973 CB VAL B 109 -15.996 -10.876 4.530 1.00 1.19 C ATOM 974 CG1 VAL B 109 -14.747 -10.833 5.396 1.00 1.37 C ATOM 975 CG2 VAL B 109 -16.599 -9.491 4.408 1.00 1.54 C ATOM 0 H VAL B 109 -13.672 -11.314 3.536 1.00 1.68 H new ATOM 0 HA VAL B 109 -16.238 -12.489 3.181 1.00 1.42 H new ATOM 0 HB VAL B 109 -16.731 -11.514 5.020 1.00 1.19 H new ATOM 0 HG11 VAL B 109 -14.984 -10.368 6.353 1.00 1.37 H new ATOM 0 HG12 VAL B 109 -14.386 -11.848 5.565 1.00 1.37 H new ATOM 0 HG13 VAL B 109 -13.974 -10.252 4.892 1.00 1.37 H new ATOM 0 HG21 VAL B 109 -16.771 -9.080 5.403 1.00 1.54 H new ATOM 0 HG22 VAL B 109 -15.914 -8.843 3.861 1.00 1.54 H new ATOM 0 HG23 VAL B 109 -17.546 -9.552 3.872 1.00 1.54 H new ATOM 979 N ALA B 110 -15.473 -9.990 1.270 1.00 1.43 N ATOM 980 CA ALA B 110 -15.936 -9.237 0.106 1.00 1.57 C ATOM 981 C ALA B 110 -16.224 -10.213 -1.021 1.00 1.86 C ATOM 982 O ALA B 110 -17.157 -10.043 -1.801 1.00 1.97 O ATOM 983 CB ALA B 110 -14.907 -8.211 -0.339 1.00 1.73 C ATOM 0 H ALA B 110 -14.477 -9.895 1.470 1.00 1.43 H new ATOM 0 HA ALA B 110 -16.842 -8.693 0.375 1.00 1.57 H new ATOM 0 HB1 ALA B 110 -15.285 -7.670 -1.207 1.00 1.73 H new ATOM 0 HB2 ALA B 110 -14.719 -7.509 0.473 1.00 1.73 H new ATOM 0 HB3 ALA B 110 -13.979 -8.718 -0.603 1.00 1.73 H new ATOM 989 N GLU B 111 -15.414 -11.258 -1.061 1.00 2.03 N ATOM 990 CA GLU B 111 -15.533 -12.312 -2.053 1.00 2.36 C ATOM 991 C GLU B 111 -16.799 -13.101 -1.778 1.00 2.34 C ATOM 992 O GLU B 111 -17.563 -13.454 -2.674 1.00 2.59 O ATOM 993 CB GLU B 111 -14.312 -13.217 -1.955 1.00 2.62 C ATOM 994 CG GLU B 111 -13.477 -13.236 -3.219 1.00 3.04 C ATOM 995 CD GLU B 111 -14.095 -14.072 -4.316 1.00 3.49 C ATOM 996 OE1 GLU B 111 -14.029 -15.318 -4.233 1.00 3.91 O ATOM 997 OE2 GLU B 111 -14.652 -13.492 -5.262 1.00 3.62 O ATOM 0 H GLU B 111 -14.650 -11.399 -0.400 1.00 2.03 H new ATOM 0 HA GLU B 111 -15.586 -11.892 -3.057 1.00 2.36 H new ATOM 0 HB2 GLU B 111 -13.690 -12.888 -1.122 1.00 2.62 H new ATOM 0 HB3 GLU B 111 -14.638 -14.232 -1.728 1.00 2.62 H new ATOM 0 HG2 GLU B 111 -13.345 -12.215 -3.577 1.00 3.04 H new ATOM 0 HG3 GLU B 111 -12.485 -13.624 -2.988 1.00 3.04 H new ATOM 1004 N TYR B 112 -16.985 -13.354 -0.501 1.00 2.08 N ATOM 1005 CA TYR B 112 -18.127 -14.066 0.029 1.00 2.09 C ATOM 1006 C TYR B 112 -19.412 -13.297 -0.225 1.00 1.93 C ATOM 1007 O TYR B 112 -20.353 -13.787 -0.851 1.00 2.13 O ATOM 1008 CB TYR B 112 -17.914 -14.163 1.520 1.00 1.99 C ATOM 1009 CG TYR B 112 -18.222 -15.501 2.123 1.00 2.31 C ATOM 1010 CD1 TYR B 112 -17.557 -16.646 1.715 1.00 2.34 C ATOM 1011 CD2 TYR B 112 -19.172 -15.609 3.117 1.00 2.64 C ATOM 1012 CE1 TYR B 112 -17.839 -17.870 2.287 1.00 2.67 C ATOM 1013 CE2 TYR B 112 -19.463 -16.816 3.693 1.00 2.96 C ATOM 1014 CZ TYR B 112 -18.796 -17.952 3.278 1.00 2.97 C ATOM 1015 OH TYR B 112 -19.080 -19.171 3.855 1.00 3.32 O ATOM 0 H TYR B 112 -16.325 -13.061 0.219 1.00 2.08 H new ATOM 0 HA TYR B 112 -18.216 -15.043 -0.446 1.00 2.09 H new ATOM 0 HB2 TYR B 112 -16.876 -13.914 1.740 1.00 1.99 H new ATOM 0 HB3 TYR B 112 -18.533 -13.411 2.009 1.00 1.99 H new ATOM 0 HD1 TYR B 112 -16.808 -16.580 0.939 1.00 2.34 H new ATOM 0 HD2 TYR B 112 -19.696 -14.724 3.447 1.00 2.64 H new ATOM 0 HE1 TYR B 112 -17.315 -18.757 1.962 1.00 2.67 H new ATOM 0 HE2 TYR B 112 -20.211 -16.880 4.469 1.00 2.96 H new ATOM 0 HH TYR B 112 -19.922 -19.109 4.352 1.00 3.32 H new ATOM 1025 N ALA B 113 -19.418 -12.083 0.292 1.00 1.63 N ATOM 1026 CA ALA B 113 -20.549 -11.192 0.180 1.00 1.55 C ATOM 1027 C ALA B 113 -20.879 -10.866 -1.271 1.00 1.73 C ATOM 1028 O ALA B 113 -22.000 -10.466 -1.582 1.00 1.87 O ATOM 1029 CB ALA B 113 -20.291 -9.932 0.979 1.00 1.29 C ATOM 0 H ALA B 113 -18.630 -11.688 0.805 1.00 1.63 H new ATOM 0 HA ALA B 113 -21.421 -11.700 0.591 1.00 1.55 H new ATOM 0 HB1 ALA B 113 -21.147 -9.264 0.891 1.00 1.29 H new ATOM 0 HB2 ALA B 113 -20.139 -10.190 2.027 1.00 1.29 H new ATOM 0 HB3 ALA B 113 -19.401 -9.434 0.595 1.00 1.29 H new ATOM 1035 N GLY B 114 -19.914 -11.059 -2.156 1.00 1.82 N ATOM 1036 CA GLY B 114 -20.125 -10.778 -3.560 1.00 2.08 C ATOM 1037 C GLY B 114 -20.006 -9.305 -3.852 1.00 2.12 C ATOM 1038 O GLY B 114 -20.772 -8.748 -4.641 1.00 2.49 O ATOM 0 H GLY B 114 -18.983 -11.407 -1.925 1.00 1.82 H new ATOM 0 HA2 GLY B 114 -19.397 -11.328 -4.156 1.00 2.08 H new ATOM 0 HA3 GLY B 114 -21.112 -11.131 -3.858 1.00 2.08 H new ATOM 1042 N VAL B 115 -19.039 -8.673 -3.213 1.00 1.87 N ATOM 1043 CA VAL B 115 -18.799 -7.253 -3.370 1.00 1.97 C ATOM 1044 C VAL B 115 -17.300 -6.996 -3.496 1.00 2.04 C ATOM 1045 O VAL B 115 -16.526 -7.912 -3.778 1.00 2.07 O ATOM 1046 CB VAL B 115 -19.345 -6.463 -2.161 1.00 1.78 C ATOM 1047 CG1 VAL B 115 -20.842 -6.612 -2.071 1.00 1.98 C ATOM 1048 CG2 VAL B 115 -18.715 -6.935 -0.862 1.00 1.43 C ATOM 0 H VAL B 115 -18.396 -9.133 -2.568 1.00 1.87 H new ATOM 0 HA VAL B 115 -19.314 -6.919 -4.270 1.00 1.97 H new ATOM 0 HB VAL B 115 -19.089 -5.414 -2.311 1.00 1.78 H new ATOM 0 HG11 VAL B 115 -21.213 -6.050 -1.214 1.00 1.98 H new ATOM 0 HG12 VAL B 115 -21.301 -6.229 -2.982 1.00 1.98 H new ATOM 0 HG13 VAL B 115 -21.096 -7.665 -1.951 1.00 1.98 H new ATOM 0 HG21 VAL B 115 -19.121 -6.359 -0.030 1.00 1.43 H new ATOM 0 HG22 VAL B 115 -18.936 -7.992 -0.713 1.00 1.43 H new ATOM 0 HG23 VAL B 115 -17.635 -6.793 -0.909 1.00 1.43 H new ATOM 1052 N SER B 116 -16.895 -5.756 -3.296 1.00 2.14 N ATOM 1053 CA SER B 116 -15.494 -5.409 -3.353 1.00 2.22 C ATOM 1054 C SER B 116 -14.996 -5.141 -1.948 1.00 1.95 C ATOM 1055 O SER B 116 -15.770 -5.170 -0.985 1.00 1.73 O ATOM 1056 CB SER B 116 -15.268 -4.179 -4.231 1.00 2.55 C ATOM 1057 OG SER B 116 -15.729 -3.001 -3.588 1.00 2.98 O ATOM 0 H SER B 116 -17.519 -4.975 -3.093 1.00 2.14 H new ATOM 0 HA SER B 116 -14.942 -6.240 -3.793 1.00 2.22 H new ATOM 0 HB2 SER B 116 -14.207 -4.081 -4.459 1.00 2.55 H new ATOM 0 HB3 SER B 116 -15.788 -4.306 -5.181 1.00 2.55 H new ATOM 0 HG SER B 116 -16.531 -3.207 -3.064 1.00 2.98 H new ATOM 1063 N VAL B 117 -13.717 -4.850 -1.829 1.00 2.03 N ATOM 1064 CA VAL B 117 -13.131 -4.566 -0.546 1.00 1.86 C ATOM 1065 C VAL B 117 -13.550 -3.188 -0.093 1.00 1.85 C ATOM 1066 O VAL B 117 -13.424 -2.831 1.076 1.00 1.67 O ATOM 1067 CB VAL B 117 -11.609 -4.672 -0.613 1.00 2.11 C ATOM 1068 CG1 VAL B 117 -11.244 -6.073 -1.041 1.00 2.70 C ATOM 1069 CG2 VAL B 117 -11.019 -3.641 -1.570 1.00 2.38 C ATOM 0 H VAL B 117 -13.065 -4.805 -2.612 1.00 2.03 H new ATOM 0 HA VAL B 117 -13.486 -5.301 0.177 1.00 1.86 H new ATOM 0 HB VAL B 117 -11.191 -4.464 0.372 1.00 2.11 H new ATOM 0 HG11 VAL B 117 -10.159 -6.166 -1.094 1.00 2.70 H new ATOM 0 HG12 VAL B 117 -11.635 -6.788 -0.317 1.00 2.70 H new ATOM 0 HG13 VAL B 117 -11.674 -6.278 -2.021 1.00 2.70 H new ATOM 0 HG21 VAL B 117 -9.934 -3.745 -1.593 1.00 2.38 H new ATOM 0 HG22 VAL B 117 -11.420 -3.802 -2.571 1.00 2.38 H new ATOM 0 HG23 VAL B 117 -11.280 -2.639 -1.231 1.00 2.38 H new ATOM 1073 N ALA B 118 -14.076 -2.425 -1.038 1.00 2.11 N ATOM 1074 CA ALA B 118 -14.542 -1.096 -0.755 1.00 2.23 C ATOM 1075 C ALA B 118 -15.859 -1.165 -0.022 1.00 2.07 C ATOM 1076 O ALA B 118 -16.120 -0.357 0.867 1.00 2.12 O ATOM 1077 CB ALA B 118 -14.682 -0.283 -2.026 1.00 2.61 C ATOM 0 H ALA B 118 -14.187 -2.714 -2.010 1.00 2.11 H new ATOM 0 HA ALA B 118 -13.806 -0.597 -0.124 1.00 2.23 H new ATOM 0 HB1 ALA B 118 -15.036 0.718 -1.780 1.00 2.61 H new ATOM 0 HB2 ALA B 118 -13.714 -0.214 -2.522 1.00 2.61 H new ATOM 0 HB3 ALA B 118 -15.397 -0.768 -2.691 1.00 2.61 H new ATOM 1083 N THR B 119 -16.683 -2.145 -0.378 1.00 1.94 N ATOM 1084 CA THR B 119 -17.969 -2.314 0.262 1.00 1.84 C ATOM 1085 C THR B 119 -17.786 -2.768 1.705 1.00 1.51 C ATOM 1086 O THR B 119 -18.390 -2.228 2.632 1.00 1.51 O ATOM 1087 CB THR B 119 -18.812 -3.339 -0.504 1.00 1.93 C ATOM 1088 OG1 THR B 119 -18.354 -3.415 -1.861 1.00 2.18 O ATOM 1089 CG2 THR B 119 -20.278 -2.952 -0.488 1.00 2.17 C ATOM 0 H THR B 119 -16.478 -2.830 -1.106 1.00 1.94 H new ATOM 0 HA THR B 119 -18.487 -1.355 0.257 1.00 1.84 H new ATOM 0 HB THR B 119 -18.704 -4.309 -0.019 1.00 1.93 H new ATOM 0 HG1 THR B 119 -19.086 -3.176 -2.467 1.00 2.18 H new ATOM 0 HG21 THR B 119 -20.856 -3.694 -1.038 1.00 2.17 H new ATOM 0 HG22 THR B 119 -20.631 -2.907 0.542 1.00 2.17 H new ATOM 0 HG23 THR B 119 -20.402 -1.976 -0.957 1.00 2.17 H new ATOM 1094 N VAL B 120 -16.925 -3.755 1.872 1.00 1.33 N ATOM 1095 CA VAL B 120 -16.623 -4.314 3.184 1.00 1.05 C ATOM 1096 C VAL B 120 -15.910 -3.318 4.083 1.00 1.07 C ATOM 1097 O VAL B 120 -16.239 -3.211 5.258 1.00 0.98 O ATOM 1098 CB VAL B 120 -15.789 -5.591 3.047 1.00 1.05 C ATOM 1099 CG1 VAL B 120 -15.355 -6.122 4.406 1.00 1.29 C ATOM 1100 CG2 VAL B 120 -16.611 -6.611 2.309 1.00 1.25 C ATOM 0 H VAL B 120 -16.414 -4.194 1.106 1.00 1.33 H new ATOM 0 HA VAL B 120 -17.576 -4.556 3.654 1.00 1.05 H new ATOM 0 HB VAL B 120 -14.877 -5.372 2.491 1.00 1.05 H new ATOM 0 HG11 VAL B 120 -14.765 -7.029 4.271 1.00 1.29 H new ATOM 0 HG12 VAL B 120 -14.753 -5.370 4.915 1.00 1.29 H new ATOM 0 HG13 VAL B 120 -16.236 -6.348 5.006 1.00 1.29 H new ATOM 0 HG21 VAL B 120 -16.037 -7.531 2.199 1.00 1.25 H new ATOM 0 HG22 VAL B 120 -17.523 -6.817 2.869 1.00 1.25 H new ATOM 0 HG23 VAL B 120 -16.870 -6.225 1.323 1.00 1.25 H new ATOM 1104 N SER B 121 -14.942 -2.594 3.543 1.00 1.32 N ATOM 1105 CA SER B 121 -14.224 -1.607 4.313 1.00 1.42 C ATOM 1106 C SER B 121 -15.197 -0.598 4.880 1.00 1.54 C ATOM 1107 O SER B 121 -15.007 -0.122 5.983 1.00 1.64 O ATOM 1108 CB SER B 121 -13.182 -0.912 3.451 1.00 1.73 C ATOM 1109 OG SER B 121 -12.299 -0.152 4.244 1.00 2.33 O ATOM 0 H SER B 121 -14.640 -2.676 2.572 1.00 1.32 H new ATOM 0 HA SER B 121 -13.708 -2.105 5.134 1.00 1.42 H new ATOM 0 HB2 SER B 121 -12.620 -1.654 2.883 1.00 1.73 H new ATOM 0 HB3 SER B 121 -13.676 -0.264 2.727 1.00 1.73 H new ATOM 0 HG SER B 121 -11.637 0.285 3.669 1.00 2.33 H new ATOM 1115 N ARG B 122 -16.254 -0.288 4.139 1.00 1.65 N ATOM 1116 CA ARG B 122 -17.239 0.648 4.630 1.00 1.87 C ATOM 1117 C ARG B 122 -17.978 0.050 5.801 1.00 1.69 C ATOM 1118 O ARG B 122 -18.127 0.696 6.816 1.00 1.81 O ATOM 1119 CB ARG B 122 -18.225 1.037 3.557 1.00 2.16 C ATOM 1120 CG ARG B 122 -17.582 1.725 2.368 1.00 2.54 C ATOM 1121 CD ARG B 122 -17.110 3.121 2.742 1.00 3.12 C ATOM 1122 NE ARG B 122 -16.978 4.004 1.585 1.00 3.54 N ATOM 1123 CZ ARG B 122 -16.783 5.322 1.684 1.00 4.20 C ATOM 1124 NH1 ARG B 122 -16.658 5.887 2.879 1.00 4.65 N ATOM 1125 NH2 ARG B 122 -16.712 6.076 0.593 1.00 4.73 N ATOM 0 H ARG B 122 -16.443 -0.668 3.211 1.00 1.65 H new ATOM 0 HA ARG B 122 -16.710 1.548 4.945 1.00 1.87 H new ATOM 0 HB2 ARG B 122 -18.746 0.144 3.212 1.00 2.16 H new ATOM 0 HB3 ARG B 122 -18.977 1.699 3.987 1.00 2.16 H new ATOM 0 HG2 ARG B 122 -16.738 1.134 2.013 1.00 2.54 H new ATOM 0 HG3 ARG B 122 -18.297 1.786 1.547 1.00 2.54 H new ATOM 0 HD2 ARG B 122 -17.813 3.560 3.450 1.00 3.12 H new ATOM 0 HD3 ARG B 122 -16.149 3.050 3.251 1.00 3.12 H new ATOM 0 HE ARG B 122 -17.038 3.593 0.654 1.00 3.54 H new ATOM 0 HH11 ARG B 122 -16.711 5.315 3.722 1.00 4.65 H new ATOM 0 HH12 ARG B 122 -16.509 6.893 2.954 1.00 4.65 H new ATOM 0 HH21 ARG B 122 -16.807 5.650 -0.329 1.00 4.73 H new ATOM 0 HH22 ARG B 122 -16.563 7.082 0.677 1.00 4.73 H new ATOM 1139 N VAL B 123 -18.391 -1.202 5.668 1.00 1.48 N ATOM 1140 CA VAL B 123 -19.108 -1.877 6.742 1.00 1.43 C ATOM 1141 C VAL B 123 -18.177 -2.033 7.933 1.00 1.23 C ATOM 1142 O VAL B 123 -18.586 -1.904 9.087 1.00 1.39 O ATOM 1143 CB VAL B 123 -19.646 -3.245 6.317 1.00 1.43 C ATOM 1144 CG1 VAL B 123 -20.368 -3.901 7.480 1.00 2.11 C ATOM 1145 CG2 VAL B 123 -20.572 -3.106 5.118 1.00 1.71 C ATOM 0 H VAL B 123 -18.244 -1.769 4.833 1.00 1.48 H new ATOM 0 HA VAL B 123 -19.971 -1.266 7.007 1.00 1.43 H new ATOM 0 HB VAL B 123 -18.808 -3.878 6.024 1.00 1.43 H new ATOM 0 HG11 VAL B 123 -20.748 -4.874 7.170 1.00 2.11 H new ATOM 0 HG12 VAL B 123 -19.676 -4.030 8.312 1.00 2.11 H new ATOM 0 HG13 VAL B 123 -21.199 -3.270 7.795 1.00 2.11 H new ATOM 0 HG21 VAL B 123 -20.945 -4.089 4.830 1.00 1.71 H new ATOM 0 HG22 VAL B 123 -21.412 -2.462 5.379 1.00 1.71 H new ATOM 0 HG23 VAL B 123 -20.024 -2.667 4.284 1.00 1.71 H new ATOM 1149 N VAL B 124 -16.924 -2.336 7.626 1.00 1.01 N ATOM 1150 CA VAL B 124 -15.874 -2.436 8.617 1.00 0.97 C ATOM 1151 C VAL B 124 -15.715 -1.068 9.282 1.00 1.22 C ATOM 1152 O VAL B 124 -15.442 -0.950 10.476 1.00 1.41 O ATOM 1153 CB VAL B 124 -14.559 -2.872 7.923 1.00 0.84 C ATOM 1154 CG1 VAL B 124 -13.337 -2.318 8.600 1.00 1.19 C ATOM 1155 CG2 VAL B 124 -14.461 -4.375 7.851 1.00 0.77 C ATOM 0 H VAL B 124 -16.610 -2.520 6.673 1.00 1.01 H new ATOM 0 HA VAL B 124 -16.121 -3.178 9.376 1.00 0.97 H new ATOM 0 HB VAL B 124 -14.594 -2.461 6.914 1.00 0.84 H new ATOM 0 HG11 VAL B 124 -12.445 -2.655 8.073 1.00 1.19 H new ATOM 0 HG12 VAL B 124 -13.376 -1.229 8.588 1.00 1.19 H new ATOM 0 HG13 VAL B 124 -13.302 -2.668 9.632 1.00 1.19 H new ATOM 0 HG21 VAL B 124 -13.529 -4.656 7.360 1.00 0.77 H new ATOM 0 HG22 VAL B 124 -14.479 -4.789 8.859 1.00 0.77 H new ATOM 0 HG23 VAL B 124 -15.304 -4.768 7.282 1.00 0.77 H new ATOM 1159 N ASN B 125 -15.931 -0.040 8.469 1.00 1.33 N ATOM 1160 CA ASN B 125 -15.858 1.351 8.909 1.00 1.62 C ATOM 1161 C ASN B 125 -17.181 1.775 9.532 1.00 1.85 C ATOM 1162 O ASN B 125 -17.439 2.969 9.697 1.00 2.18 O ATOM 1163 CB ASN B 125 -15.523 2.274 7.735 1.00 1.76 C ATOM 1164 CG ASN B 125 -14.039 2.557 7.606 1.00 1.72 C ATOM 1165 OD1 ASN B 125 -13.515 3.494 8.212 1.00 2.01 O ATOM 1166 ND2 ASN B 125 -13.357 1.757 6.806 1.00 1.57 N ATOM 0 H ASN B 125 -16.163 -0.147 7.481 1.00 1.33 H new ATOM 0 HA ASN B 125 -15.067 1.431 9.654 1.00 1.62 H new ATOM 0 HB2 ASN B 125 -15.882 1.821 6.811 1.00 1.76 H new ATOM 0 HB3 ASN B 125 -16.057 3.216 7.857 1.00 1.76 H new ATOM 0 HD21 ASN B 125 -12.357 1.903 6.671 1.00 1.57 H new ATOM 0 HD22 ASN B 125 -13.831 0.993 6.324 1.00 1.57 H new ATOM 1173 N GLN B 126 -18.019 0.769 9.808 1.00 1.75 N ATOM 1174 CA GLN B 126 -19.333 0.917 10.434 1.00 2.00 C ATOM 1175 C GLN B 126 -20.420 1.070 9.387 1.00 2.28 C ATOM 1176 O GLN B 126 -21.577 0.738 9.650 1.00 2.59 O ATOM 1177 CB GLN B 126 -19.383 2.061 11.441 1.00 2.28 C ATOM 1178 CG GLN B 126 -18.824 1.703 12.810 1.00 2.26 C ATOM 1179 CD GLN B 126 -17.925 0.483 12.804 1.00 2.20 C ATOM 1180 OE1 GLN B 126 -18.383 -0.650 12.962 1.00 2.62 O ATOM 1181 NE2 GLN B 126 -16.633 0.709 12.639 1.00 2.05 N ATOM 0 H GLN B 126 -17.791 -0.202 9.594 1.00 1.75 H new ATOM 0 HA GLN B 126 -19.515 -0.000 10.994 1.00 2.00 H new ATOM 0 HB2 GLN B 126 -18.825 2.908 11.042 1.00 2.28 H new ATOM 0 HB3 GLN B 126 -20.417 2.386 11.555 1.00 2.28 H new ATOM 0 HG2 GLN B 126 -18.263 2.554 13.197 1.00 2.26 H new ATOM 0 HG3 GLN B 126 -19.653 1.529 13.496 1.00 2.26 H new ATOM 0 HE21 GLN B 126 -16.294 1.663 12.511 1.00 2.05 H new ATOM 0 HE22 GLN B 126 -15.975 -0.070 12.639 1.00 2.05 H new ATOM 1188 N ALA B 127 -20.019 1.615 8.228 1.00 2.26 N ATOM 1189 CA ALA B 127 -20.860 1.853 7.062 1.00 2.68 C ATOM 1190 C ALA B 127 -21.184 3.336 7.007 1.00 2.58 C ATOM 1191 O ALA B 127 -21.245 4.009 8.037 1.00 2.78 O ATOM 1192 CB ALA B 127 -22.101 0.979 7.003 1.00 3.35 C ATOM 0 H ALA B 127 -19.055 1.913 8.079 1.00 2.26 H new ATOM 0 HA ALA B 127 -20.303 1.561 6.171 1.00 2.68 H new ATOM 0 HB1 ALA B 127 -22.672 1.218 6.106 1.00 3.35 H new ATOM 0 HB2 ALA B 127 -21.806 -0.070 6.977 1.00 3.35 H new ATOM 0 HB3 ALA B 127 -22.716 1.161 7.884 1.00 3.35 H new ATOM 1198 N SER B 128 -21.369 3.841 5.805 1.00 2.78 N ATOM 1199 CA SER B 128 -21.634 5.260 5.598 1.00 3.07 C ATOM 1200 C SER B 128 -22.358 5.470 4.281 1.00 3.19 C ATOM 1201 O SER B 128 -23.149 6.398 4.125 1.00 3.58 O ATOM 1202 CB SER B 128 -20.328 6.051 5.606 1.00 3.43 C ATOM 1203 OG SER B 128 -19.563 5.788 6.772 1.00 3.90 O ATOM 0 H SER B 128 -21.341 3.290 4.947 1.00 2.78 H new ATOM 0 HA SER B 128 -22.266 5.617 6.411 1.00 3.07 H new ATOM 0 HB2 SER B 128 -19.743 5.797 4.722 1.00 3.43 H new ATOM 0 HB3 SER B 128 -20.548 7.117 5.547 1.00 3.43 H new ATOM 0 HG SER B 128 -18.734 6.309 6.744 1.00 3.90 H new ATOM 1209 N HIS B 129 -22.073 4.593 3.334 1.00 2.99 N ATOM 1210 CA HIS B 129 -22.698 4.653 2.026 1.00 3.16 C ATOM 1211 C HIS B 129 -23.171 3.264 1.626 1.00 2.98 C ATOM 1212 O HIS B 129 -23.629 3.057 0.514 1.00 3.05 O ATOM 1213 CB HIS B 129 -21.739 5.222 0.967 1.00 3.29 C ATOM 1214 CG HIS B 129 -21.919 6.693 0.724 1.00 3.68 C ATOM 1215 ND1 HIS B 129 -22.654 7.619 1.385 1.00 4.09 N flip ATOM 1216 CD2 HIS B 129 -21.320 7.363 -0.320 1.00 3.92 C flip ATOM 1217 CE1 HIS B 129 -22.488 8.811 0.734 1.00 4.48 C flip ATOM 1218 NE2 HIS B 129 -21.681 8.632 -0.289 1.00 4.40 N flip ATOM 0 H HIS B 129 -21.409 3.827 3.449 1.00 2.99 H new ATOM 0 HA HIS B 129 -23.554 5.326 2.084 1.00 3.16 H new ATOM 0 HB2 HIS B 129 -20.712 5.037 1.282 1.00 3.29 H new ATOM 0 HB3 HIS B 129 -21.887 4.686 0.029 1.00 3.29 H new ATOM 0 HD1 HIS B 129 -23.225 7.458 2.214 1.00 4.09 H new ATOM 0 HD2 HIS B 129 -20.659 6.919 -1.049 1.00 3.92 H new ATOM 0 HE1 HIS B 129 -22.946 9.748 1.015 1.00 4.48 H new ATOM 1227 N VAL B 130 -23.020 2.309 2.541 1.00 2.81 N ATOM 1228 CA VAL B 130 -23.432 0.934 2.331 1.00 2.71 C ATOM 1229 C VAL B 130 -24.913 0.803 2.624 1.00 2.91 C ATOM 1230 O VAL B 130 -25.401 1.370 3.602 1.00 3.16 O ATOM 1231 CB VAL B 130 -22.634 -0.016 3.272 1.00 2.44 C ATOM 1232 CG1 VAL B 130 -23.465 -1.204 3.729 1.00 2.56 C ATOM 1233 CG2 VAL B 130 -21.370 -0.514 2.607 1.00 2.52 C ATOM 0 H VAL B 130 -22.603 2.476 3.457 1.00 2.81 H new ATOM 0 HA VAL B 130 -23.233 0.658 1.295 1.00 2.71 H new ATOM 0 HB VAL B 130 -22.370 0.575 4.149 1.00 2.44 H new ATOM 0 HG11 VAL B 130 -22.866 -1.837 4.383 1.00 2.56 H new ATOM 0 HG12 VAL B 130 -24.341 -0.848 4.272 1.00 2.56 H new ATOM 0 HG13 VAL B 130 -23.785 -1.780 2.861 1.00 2.56 H new ATOM 0 HG21 VAL B 130 -20.836 -1.175 3.290 1.00 2.52 H new ATOM 0 HG22 VAL B 130 -21.627 -1.061 1.700 1.00 2.52 H new ATOM 0 HG23 VAL B 130 -20.735 0.334 2.351 1.00 2.52 H new ATOM 1237 N SER B 131 -25.634 0.089 1.785 1.00 3.16 N ATOM 1238 CA SER B 131 -27.040 -0.101 2.020 1.00 3.41 C ATOM 1239 C SER B 131 -27.234 -1.045 3.209 1.00 3.34 C ATOM 1240 O SER B 131 -26.382 -1.897 3.466 1.00 3.52 O ATOM 1241 CB SER B 131 -27.692 -0.661 0.757 1.00 3.60 C ATOM 1242 OG SER B 131 -26.700 -1.138 -0.147 1.00 3.66 O ATOM 0 H SER B 131 -25.271 -0.362 0.946 1.00 3.16 H new ATOM 0 HA SER B 131 -27.514 0.851 2.259 1.00 3.41 H new ATOM 0 HB2 SER B 131 -28.372 -1.471 1.020 1.00 3.60 H new ATOM 0 HB3 SER B 131 -28.289 0.113 0.275 1.00 3.60 H new ATOM 0 HG SER B 131 -27.134 -1.495 -0.950 1.00 3.66 H new ATOM 1248 N ALA B 132 -28.340 -0.895 3.929 1.00 3.13 N ATOM 1249 CA ALA B 132 -28.619 -1.730 5.099 1.00 3.13 C ATOM 1250 C ALA B 132 -28.461 -3.215 4.780 1.00 2.94 C ATOM 1251 O ALA B 132 -27.866 -3.966 5.555 1.00 2.84 O ATOM 1252 CB ALA B 132 -30.014 -1.446 5.627 1.00 3.57 C ATOM 0 H ALA B 132 -29.061 -0.203 3.725 1.00 3.13 H new ATOM 0 HA ALA B 132 -27.890 -1.479 5.869 1.00 3.13 H new ATOM 0 HB1 ALA B 132 -30.209 -2.073 6.497 1.00 3.57 H new ATOM 0 HB2 ALA B 132 -30.088 -0.397 5.913 1.00 3.57 H new ATOM 0 HB3 ALA B 132 -30.748 -1.664 4.851 1.00 3.57 H new ATOM 1258 N LYS B 133 -28.988 -3.632 3.635 1.00 2.95 N ATOM 1259 CA LYS B 133 -28.890 -5.022 3.220 1.00 2.86 C ATOM 1260 C LYS B 133 -27.442 -5.443 3.026 1.00 2.52 C ATOM 1261 O LYS B 133 -27.031 -6.511 3.475 1.00 2.39 O ATOM 1262 CB LYS B 133 -29.679 -5.261 1.942 1.00 3.08 C ATOM 1263 CG LYS B 133 -30.851 -6.204 2.140 1.00 3.26 C ATOM 1264 CD LYS B 133 -30.397 -7.642 2.365 1.00 3.59 C ATOM 1265 CE LYS B 133 -31.413 -8.429 3.184 1.00 3.54 C ATOM 1266 NZ LYS B 133 -31.651 -7.821 4.522 1.00 4.27 N ATOM 0 H LYS B 133 -29.486 -3.028 2.981 1.00 2.95 H new ATOM 0 HA LYS B 133 -29.317 -5.631 4.016 1.00 2.86 H new ATOM 0 HB2 LYS B 133 -30.046 -4.307 1.564 1.00 3.08 H new ATOM 0 HB3 LYS B 133 -29.014 -5.670 1.182 1.00 3.08 H new ATOM 0 HG2 LYS B 133 -31.442 -5.873 2.994 1.00 3.26 H new ATOM 0 HG3 LYS B 133 -31.501 -6.162 1.266 1.00 3.26 H new ATOM 0 HD2 LYS B 133 -30.247 -8.132 1.403 1.00 3.59 H new ATOM 0 HD3 LYS B 133 -29.435 -7.645 2.878 1.00 3.59 H new ATOM 0 HE2 LYS B 133 -32.355 -8.481 2.638 1.00 3.54 H new ATOM 0 HE3 LYS B 133 -31.061 -9.453 3.310 1.00 3.54 H new ATOM 0 HZ1 LYS B 133 -32.169 -8.494 5.122 1.00 4.27 H new ATOM 0 HZ2 LYS B 133 -30.739 -7.592 4.966 1.00 4.27 H new ATOM 0 HZ3 LYS B 133 -32.211 -6.952 4.414 1.00 4.27 H new ATOM 1280 N THR B 134 -26.675 -4.597 2.364 1.00 2.42 N ATOM 1281 CA THR B 134 -25.269 -4.871 2.120 1.00 2.12 C ATOM 1282 C THR B 134 -24.507 -4.975 3.426 1.00 1.91 C ATOM 1283 O THR B 134 -23.617 -5.808 3.573 1.00 1.66 O ATOM 1284 CB THR B 134 -24.636 -3.803 1.246 1.00 2.15 C ATOM 1285 OG1 THR B 134 -25.395 -3.643 0.039 1.00 2.38 O ATOM 1286 CG2 THR B 134 -23.200 -4.171 0.921 1.00 1.91 C ATOM 0 H THR B 134 -27.003 -3.709 1.983 1.00 2.42 H new ATOM 0 HA THR B 134 -25.214 -5.824 1.594 1.00 2.12 H new ATOM 0 HB THR B 134 -24.636 -2.858 1.789 1.00 2.15 H new ATOM 0 HG1 THR B 134 -25.822 -2.761 0.035 1.00 2.38 H new ATOM 0 HG21 THR B 134 -22.759 -3.396 0.294 1.00 1.91 H new ATOM 0 HG22 THR B 134 -22.629 -4.259 1.845 1.00 1.91 H new ATOM 0 HG23 THR B 134 -23.180 -5.123 0.390 1.00 1.91 H new ATOM 1291 N ARG B 135 -24.844 -4.107 4.358 1.00 2.08 N ATOM 1292 CA ARG B 135 -24.228 -4.129 5.673 1.00 2.01 C ATOM 1293 C ARG B 135 -24.334 -5.532 6.255 1.00 1.90 C ATOM 1294 O ARG B 135 -23.371 -6.069 6.783 1.00 1.69 O ATOM 1295 CB ARG B 135 -24.903 -3.090 6.585 1.00 2.33 C ATOM 1296 CG ARG B 135 -24.600 -3.260 8.069 1.00 2.49 C ATOM 1297 CD ARG B 135 -25.602 -4.171 8.730 1.00 2.51 C ATOM 1298 NE ARG B 135 -25.232 -4.525 10.100 1.00 2.92 N ATOM 1299 CZ ARG B 135 -26.110 -4.805 11.064 1.00 3.24 C ATOM 1300 NH1 ARG B 135 -27.417 -4.739 10.825 1.00 3.30 N ATOM 1301 NH2 ARG B 135 -25.673 -5.149 12.267 1.00 3.83 N ATOM 0 H ARG B 135 -25.543 -3.375 4.231 1.00 2.08 H new ATOM 0 HA ARG B 135 -23.173 -3.868 5.594 1.00 2.01 H new ATOM 0 HB2 ARG B 135 -24.588 -2.094 6.275 1.00 2.33 H new ATOM 0 HB3 ARG B 135 -25.982 -3.143 6.439 1.00 2.33 H new ATOM 0 HG2 ARG B 135 -23.597 -3.668 8.193 1.00 2.49 H new ATOM 0 HG3 ARG B 135 -24.611 -2.286 8.559 1.00 2.49 H new ATOM 0 HD2 ARG B 135 -26.578 -3.686 8.736 1.00 2.51 H new ATOM 0 HD3 ARG B 135 -25.703 -5.082 8.139 1.00 2.51 H new ATOM 0 HE ARG B 135 -24.240 -4.560 10.333 1.00 2.92 H new ATOM 0 HH11 ARG B 135 -27.753 -4.473 9.900 1.00 3.30 H new ATOM 0 HH12 ARG B 135 -28.083 -4.955 11.567 1.00 3.30 H new ATOM 0 HH21 ARG B 135 -24.671 -5.198 12.451 1.00 3.83 H new ATOM 0 HH22 ARG B 135 -26.339 -5.364 13.009 1.00 3.83 H new ATOM 1315 N GLU B 136 -25.493 -6.135 6.082 1.00 2.09 N ATOM 1316 CA GLU B 136 -25.742 -7.479 6.577 1.00 2.13 C ATOM 1317 C GLU B 136 -25.018 -8.498 5.701 1.00 1.92 C ATOM 1318 O GLU B 136 -24.487 -9.498 6.185 1.00 1.96 O ATOM 1319 CB GLU B 136 -27.233 -7.767 6.598 1.00 2.40 C ATOM 1320 CG GLU B 136 -27.995 -6.949 7.603 1.00 2.66 C ATOM 1321 CD GLU B 136 -29.472 -6.870 7.292 1.00 2.93 C ATOM 1322 OE1 GLU B 136 -29.992 -7.775 6.611 1.00 3.14 O ATOM 1323 OE2 GLU B 136 -30.124 -5.900 7.728 1.00 3.37 O ATOM 0 H GLU B 136 -26.286 -5.713 5.598 1.00 2.09 H new ATOM 0 HA GLU B 136 -25.362 -7.555 7.596 1.00 2.13 H new ATOM 0 HB2 GLU B 136 -27.644 -7.581 5.606 1.00 2.40 H new ATOM 0 HB3 GLU B 136 -27.386 -8.825 6.813 1.00 2.40 H new ATOM 0 HG2 GLU B 136 -27.859 -7.381 8.595 1.00 2.66 H new ATOM 0 HG3 GLU B 136 -27.580 -5.941 7.635 1.00 2.66 H new ATOM 1330 N LYS B 137 -24.993 -8.194 4.410 1.00 1.78 N ATOM 1331 CA LYS B 137 -24.358 -9.017 3.386 1.00 1.68 C ATOM 1332 C LYS B 137 -22.903 -9.349 3.732 1.00 1.46 C ATOM 1333 O LYS B 137 -22.457 -10.493 3.632 1.00 1.53 O ATOM 1334 CB LYS B 137 -24.391 -8.241 2.068 1.00 1.70 C ATOM 1335 CG LYS B 137 -23.746 -8.977 0.923 1.00 2.12 C ATOM 1336 CD LYS B 137 -23.203 -8.015 -0.122 1.00 2.24 C ATOM 1337 CE LYS B 137 -24.307 -7.296 -0.880 1.00 2.51 C ATOM 1338 NZ LYS B 137 -25.224 -8.239 -1.575 1.00 3.11 N ATOM 0 H LYS B 137 -25.424 -7.348 4.036 1.00 1.78 H new ATOM 0 HA LYS B 137 -24.901 -9.959 3.313 1.00 1.68 H new ATOM 0 HB2 LYS B 137 -25.427 -8.021 1.811 1.00 1.70 H new ATOM 0 HB3 LYS B 137 -23.886 -7.285 2.205 1.00 1.70 H new ATOM 0 HG2 LYS B 137 -22.936 -9.601 1.300 1.00 2.12 H new ATOM 0 HG3 LYS B 137 -24.474 -9.644 0.462 1.00 2.12 H new ATOM 0 HD2 LYS B 137 -22.562 -7.280 0.364 1.00 2.24 H new ATOM 0 HD3 LYS B 137 -22.580 -8.564 -0.828 1.00 2.24 H new ATOM 0 HE2 LYS B 137 -24.880 -6.681 -0.186 1.00 2.51 H new ATOM 0 HE3 LYS B 137 -23.862 -6.621 -1.611 1.00 2.51 H new ATOM 0 HZ1 LYS B 137 -25.782 -7.722 -2.284 1.00 3.11 H new ATOM 0 HZ2 LYS B 137 -24.668 -8.981 -2.046 1.00 3.11 H new ATOM 0 HZ3 LYS B 137 -25.865 -8.675 -0.881 1.00 3.11 H new ATOM 1352 N VAL B 138 -22.192 -8.333 4.159 1.00 1.29 N ATOM 1353 CA VAL B 138 -20.796 -8.483 4.489 1.00 1.09 C ATOM 1354 C VAL B 138 -20.589 -8.934 5.935 1.00 1.21 C ATOM 1355 O VAL B 138 -19.651 -9.675 6.213 1.00 1.25 O ATOM 1356 CB VAL B 138 -19.966 -7.224 4.191 1.00 0.95 C ATOM 1357 CG1 VAL B 138 -20.657 -6.346 3.179 1.00 1.45 C ATOM 1358 CG2 VAL B 138 -19.640 -6.453 5.447 1.00 1.71 C ATOM 0 H VAL B 138 -22.559 -7.390 4.286 1.00 1.29 H new ATOM 0 HA VAL B 138 -20.429 -9.272 3.832 1.00 1.09 H new ATOM 0 HB VAL B 138 -19.020 -7.555 3.762 1.00 0.95 H new ATOM 0 HG11 VAL B 138 -20.048 -5.463 2.987 1.00 1.45 H new ATOM 0 HG12 VAL B 138 -20.795 -6.900 2.251 1.00 1.45 H new ATOM 0 HG13 VAL B 138 -21.629 -6.039 3.566 1.00 1.45 H new ATOM 0 HG21 VAL B 138 -19.053 -5.571 5.191 1.00 1.71 H new ATOM 0 HG22 VAL B 138 -20.565 -6.144 5.934 1.00 1.71 H new ATOM 0 HG23 VAL B 138 -19.067 -7.086 6.124 1.00 1.71 H new ATOM 1362 N GLU B 139 -21.460 -8.508 6.855 1.00 1.39 N ATOM 1363 CA GLU B 139 -21.344 -8.895 8.236 1.00 1.58 C ATOM 1364 C GLU B 139 -21.504 -10.389 8.355 1.00 1.75 C ATOM 1365 O GLU B 139 -20.807 -11.048 9.127 1.00 1.88 O ATOM 1366 CB GLU B 139 -22.403 -8.174 9.054 1.00 1.81 C ATOM 1367 CG GLU B 139 -22.102 -6.702 9.253 1.00 2.17 C ATOM 1368 CD GLU B 139 -22.349 -6.230 10.672 1.00 2.73 C ATOM 1369 OE1 GLU B 139 -22.314 -7.065 11.600 1.00 3.10 O ATOM 1370 OE2 GLU B 139 -22.589 -5.018 10.864 1.00 3.05 O ATOM 0 H GLU B 139 -22.249 -7.894 6.653 1.00 1.39 H new ATOM 0 HA GLU B 139 -20.361 -8.619 8.617 1.00 1.58 H new ATOM 0 HB2 GLU B 139 -23.369 -8.277 8.559 1.00 1.81 H new ATOM 0 HB3 GLU B 139 -22.491 -8.655 10.028 1.00 1.81 H new ATOM 0 HG2 GLU B 139 -21.062 -6.511 8.989 1.00 2.17 H new ATOM 0 HG3 GLU B 139 -22.717 -6.116 8.570 1.00 2.17 H new ATOM 1377 N ALA B 140 -22.432 -10.917 7.578 1.00 1.81 N ATOM 1378 CA ALA B 140 -22.675 -12.344 7.557 1.00 2.02 C ATOM 1379 C ALA B 140 -21.435 -13.067 7.056 1.00 1.95 C ATOM 1380 O ALA B 140 -21.047 -14.109 7.582 1.00 2.18 O ATOM 1381 CB ALA B 140 -23.880 -12.678 6.694 1.00 2.15 C ATOM 0 H ALA B 140 -23.030 -10.376 6.953 1.00 1.81 H new ATOM 0 HA ALA B 140 -22.894 -12.677 8.571 1.00 2.02 H new ATOM 0 HB1 ALA B 140 -24.041 -13.756 6.695 1.00 2.15 H new ATOM 0 HB2 ALA B 140 -24.763 -12.179 7.093 1.00 2.15 H new ATOM 0 HB3 ALA B 140 -23.702 -12.339 5.674 1.00 2.15 H new ATOM 1387 N ALA B 141 -20.818 -12.485 6.038 1.00 1.68 N ATOM 1388 CA ALA B 141 -19.614 -13.028 5.456 1.00 1.65 C ATOM 1389 C ALA B 141 -18.503 -12.997 6.484 1.00 1.66 C ATOM 1390 O ALA B 141 -17.814 -13.990 6.703 1.00 1.90 O ATOM 1391 CB ALA B 141 -19.231 -12.239 4.215 1.00 1.47 C ATOM 0 H ALA B 141 -21.143 -11.624 5.597 1.00 1.68 H new ATOM 0 HA ALA B 141 -19.785 -14.062 5.156 1.00 1.65 H new ATOM 0 HB1 ALA B 141 -18.321 -12.657 3.784 1.00 1.47 H new ATOM 0 HB2 ALA B 141 -20.038 -12.296 3.484 1.00 1.47 H new ATOM 0 HB3 ALA B 141 -19.059 -11.197 4.485 1.00 1.47 H new ATOM 1397 N MET B 142 -18.379 -11.853 7.148 1.00 1.50 N ATOM 1398 CA MET B 142 -17.375 -11.649 8.167 1.00 1.61 C ATOM 1399 C MET B 142 -17.476 -12.715 9.238 1.00 1.93 C ATOM 1400 O MET B 142 -16.491 -13.291 9.680 1.00 2.11 O ATOM 1401 CB MET B 142 -17.594 -10.305 8.857 1.00 1.51 C ATOM 1402 CG MET B 142 -17.294 -9.070 8.025 1.00 1.53 C ATOM 1403 SD MET B 142 -17.796 -7.562 8.881 1.00 2.27 S ATOM 1404 CE MET B 142 -17.058 -6.312 7.838 1.00 2.42 C ATOM 0 H MET B 142 -18.978 -11.043 6.989 1.00 1.50 H new ATOM 0 HA MET B 142 -16.401 -11.687 7.679 1.00 1.61 H new ATOM 0 HB2 MET B 142 -18.632 -10.253 9.186 1.00 1.51 H new ATOM 0 HB3 MET B 142 -16.974 -10.274 9.753 1.00 1.51 H new ATOM 0 HG2 MET B 142 -16.227 -9.028 7.805 1.00 1.53 H new ATOM 0 HG3 MET B 142 -17.814 -9.138 7.069 1.00 1.53 H new ATOM 0 HE1 MET B 142 -16.566 -5.564 8.459 1.00 2.42 H new ATOM 0 HE2 MET B 142 -16.324 -6.775 7.178 1.00 2.42 H new ATOM 0 HE3 MET B 142 -17.833 -5.834 7.239 1.00 2.42 H new ATOM 1414 N ALA B 143 -18.701 -12.957 9.609 1.00 2.04 N ATOM 1415 CA ALA B 143 -19.062 -13.901 10.661 1.00 2.38 C ATOM 1416 C ALA B 143 -18.639 -15.334 10.375 1.00 2.59 C ATOM 1417 O ALA B 143 -18.011 -15.978 11.216 1.00 2.89 O ATOM 1418 CB ALA B 143 -20.561 -13.849 10.898 1.00 2.49 C ATOM 0 H ALA B 143 -19.507 -12.498 9.185 1.00 2.04 H new ATOM 0 HA ALA B 143 -18.516 -13.593 11.552 1.00 2.38 H new ATOM 0 HB1 ALA B 143 -20.830 -14.555 11.684 1.00 2.49 H new ATOM 0 HB2 ALA B 143 -20.847 -12.842 11.201 1.00 2.49 H new ATOM 0 HB3 ALA B 143 -21.084 -14.113 9.979 1.00 2.49 H new ATOM 1424 N GLU B 144 -18.966 -15.820 9.190 1.00 2.46 N ATOM 1425 CA GLU B 144 -18.662 -17.188 8.801 1.00 2.69 C ATOM 1426 C GLU B 144 -17.180 -17.469 8.847 1.00 2.75 C ATOM 1427 O GLU B 144 -16.724 -18.464 9.413 1.00 3.01 O ATOM 1428 CB GLU B 144 -19.155 -17.442 7.399 1.00 2.61 C ATOM 1429 CG GLU B 144 -20.611 -17.110 7.206 1.00 2.71 C ATOM 1430 CD GLU B 144 -21.305 -18.032 6.228 1.00 3.16 C ATOM 1431 OE1 GLU B 144 -20.713 -19.068 5.859 1.00 3.53 O ATOM 1432 OE2 GLU B 144 -22.448 -17.726 5.827 1.00 3.49 O ATOM 0 H GLU B 144 -19.448 -15.280 8.472 1.00 2.46 H new ATOM 0 HA GLU B 144 -19.163 -17.846 9.511 1.00 2.69 H new ATOM 0 HB2 GLU B 144 -18.560 -16.853 6.701 1.00 2.61 H new ATOM 0 HB3 GLU B 144 -18.993 -18.491 7.150 1.00 2.61 H new ATOM 0 HG2 GLU B 144 -21.120 -17.161 8.169 1.00 2.71 H new ATOM 0 HG3 GLU B 144 -20.700 -16.083 6.853 1.00 2.71 H new ATOM 1439 N LEU B 145 -16.444 -16.576 8.236 1.00 2.55 N ATOM 1440 CA LEU B 145 -15.008 -16.685 8.143 1.00 2.61 C ATOM 1441 C LEU B 145 -14.316 -16.317 9.451 1.00 2.66 C ATOM 1442 O LEU B 145 -13.202 -16.774 9.710 1.00 2.82 O ATOM 1443 CB LEU B 145 -14.526 -15.749 7.043 1.00 2.39 C ATOM 1444 CG LEU B 145 -15.415 -15.690 5.801 1.00 2.32 C ATOM 1445 CD1 LEU B 145 -15.338 -14.326 5.143 1.00 2.67 C ATOM 1446 CD2 LEU B 145 -15.013 -16.760 4.823 1.00 2.64 C ATOM 0 H LEU B 145 -16.827 -15.745 7.785 1.00 2.55 H new ATOM 0 HA LEU B 145 -14.758 -17.722 7.921 1.00 2.61 H new ATOM 0 HB2 LEU B 145 -14.439 -14.744 7.456 1.00 2.39 H new ATOM 0 HB3 LEU B 145 -13.525 -16.056 6.739 1.00 2.39 H new ATOM 0 HG LEU B 145 -16.446 -15.861 6.112 1.00 2.32 H new ATOM 0 HD11 LEU B 145 -15.979 -14.310 4.262 1.00 2.67 H new ATOM 0 HD12 LEU B 145 -15.670 -13.563 5.847 1.00 2.67 H new ATOM 0 HD13 LEU B 145 -14.309 -14.123 4.846 1.00 2.67 H new ATOM 0 HD21 LEU B 145 -15.654 -16.708 3.943 1.00 2.64 H new ATOM 0 HD22 LEU B 145 -13.975 -16.610 4.526 1.00 2.64 H new ATOM 0 HD23 LEU B 145 -15.119 -17.739 5.291 1.00 2.64 H new ATOM 1452 N ASN B 146 -14.994 -15.503 10.257 1.00 2.60 N ATOM 1453 CA ASN B 146 -14.469 -14.997 11.525 1.00 2.70 C ATOM 1454 C ASN B 146 -13.480 -13.883 11.198 1.00 2.57 C ATOM 1455 O ASN B 146 -12.285 -13.949 11.488 1.00 2.86 O ATOM 1456 CB ASN B 146 -13.842 -16.110 12.357 1.00 3.12 C ATOM 1457 CG ASN B 146 -13.332 -15.661 13.705 1.00 3.19 C ATOM 1458 OD1 ASN B 146 -12.173 -15.279 13.860 1.00 3.34 O ATOM 1459 ND2 ASN B 146 -14.191 -15.724 14.696 1.00 3.49 N ATOM 0 H ASN B 146 -15.935 -15.172 10.046 1.00 2.60 H new ATOM 0 HA ASN B 146 -15.275 -14.599 12.141 1.00 2.70 H new ATOM 0 HB2 ASN B 146 -14.580 -16.898 12.504 1.00 3.12 H new ATOM 0 HB3 ASN B 146 -13.016 -16.547 11.796 1.00 3.12 H new ATOM 0 HD21 ASN B 146 -13.906 -15.450 15.636 1.00 3.49 H new ATOM 0 HD22 ASN B 146 -15.144 -16.047 14.526 1.00 3.49 H new ATOM 1466 N TYR B 147 -14.015 -12.876 10.526 1.00 2.19 N ATOM 1467 CA TYR B 147 -13.254 -11.727 10.080 1.00 2.03 C ATOM 1468 C TYR B 147 -12.793 -10.836 11.216 1.00 2.31 C ATOM 1469 O TYR B 147 -13.574 -10.468 12.095 1.00 2.53 O ATOM 1470 CB TYR B 147 -14.095 -10.870 9.142 1.00 1.65 C ATOM 1471 CG TYR B 147 -13.381 -9.592 8.760 1.00 1.50 C ATOM 1472 CD1 TYR B 147 -12.185 -9.623 8.053 1.00 1.48 C ATOM 1473 CD2 TYR B 147 -13.879 -8.356 9.145 1.00 1.57 C ATOM 1474 CE1 TYR B 147 -11.514 -8.458 7.737 1.00 1.52 C ATOM 1475 CE2 TYR B 147 -13.215 -7.193 8.830 1.00 1.55 C ATOM 1476 CZ TYR B 147 -12.034 -7.247 8.126 1.00 1.52 C ATOM 1477 OH TYR B 147 -11.372 -6.085 7.814 1.00 1.65 O ATOM 0 H TYR B 147 -15.002 -12.836 10.273 1.00 2.19 H new ATOM 0 HA TYR B 147 -12.376 -12.133 9.578 1.00 2.03 H new ATOM 0 HB2 TYR B 147 -14.330 -11.438 8.242 1.00 1.65 H new ATOM 0 HB3 TYR B 147 -15.043 -10.628 9.622 1.00 1.65 H new ATOM 0 HD1 TYR B 147 -11.774 -10.573 7.746 1.00 1.48 H new ATOM 0 HD2 TYR B 147 -14.803 -8.306 9.701 1.00 1.57 H new ATOM 0 HE1 TYR B 147 -10.585 -8.499 7.187 1.00 1.52 H new ATOM 0 HE2 TYR B 147 -13.620 -6.239 9.135 1.00 1.55 H new ATOM 0 HH TYR B 147 -10.554 -6.298 7.317 1.00 1.65 H new ATOM 1487 N ILE B 148 -11.521 -10.481 11.173 1.00 2.42 N ATOM 1488 CA ILE B 148 -10.928 -9.578 12.135 1.00 2.80 C ATOM 1489 C ILE B 148 -9.974 -8.662 11.374 1.00 2.72 C ATOM 1490 O ILE B 148 -9.066 -9.143 10.692 1.00 2.76 O ATOM 1491 CB ILE B 148 -10.174 -10.330 13.256 1.00 3.30 C ATOM 1492 CG1 ILE B 148 -11.128 -11.290 13.984 1.00 3.52 C ATOM 1493 CG2 ILE B 148 -9.548 -9.341 14.231 1.00 3.81 C ATOM 1494 CD1 ILE B 148 -10.657 -11.709 15.356 1.00 3.83 C ATOM 0 H ILE B 148 -10.869 -10.815 10.464 1.00 2.42 H new ATOM 0 HA ILE B 148 -11.715 -9.006 12.626 1.00 2.80 H new ATOM 0 HB ILE B 148 -9.372 -10.917 12.809 1.00 3.30 H new ATOM 0 HG12 ILE B 148 -12.104 -10.813 14.077 1.00 3.52 H new ATOM 0 HG13 ILE B 148 -11.266 -12.181 13.372 1.00 3.52 H new ATOM 0 HG21 ILE B 148 -9.021 -9.886 15.014 1.00 3.81 H new ATOM 0 HG22 ILE B 148 -8.845 -8.701 13.698 1.00 3.81 H new ATOM 0 HG23 ILE B 148 -10.330 -8.728 14.679 1.00 3.81 H new ATOM 0 HD11 ILE B 148 -11.387 -12.385 15.800 1.00 3.83 H new ATOM 0 HD12 ILE B 148 -9.696 -12.217 15.272 1.00 3.83 H new ATOM 0 HD13 ILE B 148 -10.547 -10.828 15.988 1.00 3.83 H new ATOM 1498 N PRO B 149 -10.171 -7.339 11.454 1.00 2.88 N ATOM 1499 CA PRO B 149 -9.333 -6.384 10.743 1.00 3.03 C ATOM 1500 C PRO B 149 -8.013 -6.153 11.457 1.00 2.77 C ATOM 1501 O PRO B 149 -7.819 -6.623 12.582 1.00 3.05 O ATOM 1502 CB PRO B 149 -10.181 -5.117 10.721 1.00 3.57 C ATOM 1503 CG PRO B 149 -11.058 -5.208 11.922 1.00 3.57 C ATOM 1504 CD PRO B 149 -11.190 -6.671 12.279 1.00 3.26 C ATOM 0 HA PRO B 149 -9.056 -6.729 9.747 1.00 3.03 H new ATOM 0 HB2 PRO B 149 -9.556 -4.225 10.758 1.00 3.57 H new ATOM 0 HB3 PRO B 149 -10.772 -5.055 9.807 1.00 3.57 H new ATOM 0 HG2 PRO B 149 -10.629 -4.648 12.753 1.00 3.57 H new ATOM 0 HG3 PRO B 149 -12.036 -4.774 11.716 1.00 3.57 H new ATOM 0 HD2 PRO B 149 -11.014 -6.839 13.342 1.00 3.26 H new ATOM 0 HD3 PRO B 149 -12.189 -7.046 12.058 1.00 3.26 H new ATOM 1512 N ASN B 150 -7.101 -5.425 10.828 1.00 2.62 N ATOM 1513 CA ASN B 150 -5.814 -5.165 11.414 1.00 2.54 C ATOM 1514 C ASN B 150 -5.764 -3.709 11.844 1.00 2.42 C ATOM 1515 O ASN B 150 -5.990 -2.810 11.034 1.00 2.60 O ATOM 1516 CB ASN B 150 -4.714 -5.468 10.396 1.00 2.56 C ATOM 1517 CG ASN B 150 -4.087 -6.824 10.592 1.00 3.19 C ATOM 1518 OD1 ASN B 150 -3.557 -7.138 11.660 1.00 3.68 O ATOM 1519 ND2 ASN B 150 -4.132 -7.637 9.557 1.00 3.53 N ATOM 0 H ASN B 150 -7.239 -5.007 9.908 1.00 2.62 H new ATOM 0 HA ASN B 150 -5.657 -5.803 12.284 1.00 2.54 H new ATOM 0 HB2 ASN B 150 -5.131 -5.409 9.391 1.00 2.56 H new ATOM 0 HB3 ASN B 150 -3.941 -4.703 10.466 1.00 2.56 H new ATOM 0 HD21 ASN B 150 -3.718 -8.567 9.621 1.00 3.53 H new ATOM 0 HD22 ASN B 150 -4.581 -7.337 8.692 1.00 3.53 H new ATOM 1526 N ARG B 151 -5.462 -3.490 13.110 1.00 2.38 N ATOM 1527 CA ARG B 151 -5.423 -2.149 13.687 1.00 2.38 C ATOM 1528 C ARG B 151 -4.506 -1.201 12.921 1.00 2.32 C ATOM 1529 O ARG B 151 -4.803 -0.014 12.805 1.00 2.27 O ATOM 1530 CB ARG B 151 -4.976 -2.224 15.144 1.00 2.76 C ATOM 1531 CG ARG B 151 -5.520 -1.103 16.015 1.00 2.95 C ATOM 1532 CD ARG B 151 -7.023 -1.207 16.187 1.00 3.01 C ATOM 1533 NE ARG B 151 -7.693 0.074 15.976 1.00 3.24 N ATOM 1534 CZ ARG B 151 -8.890 0.207 15.405 1.00 3.63 C ATOM 1535 NH1 ARG B 151 -9.570 -0.865 15.009 1.00 3.98 N ATOM 1536 NH2 ARG B 151 -9.411 1.413 15.238 1.00 4.07 N ATOM 0 H ARG B 151 -5.236 -4.233 13.771 1.00 2.38 H new ATOM 0 HA ARG B 151 -6.434 -1.746 13.620 1.00 2.38 H new ATOM 0 HB2 ARG B 151 -5.291 -3.180 15.561 1.00 2.76 H new ATOM 0 HB3 ARG B 151 -3.887 -2.203 15.181 1.00 2.76 H new ATOM 0 HG2 ARG B 151 -5.039 -1.135 16.992 1.00 2.95 H new ATOM 0 HG3 ARG B 151 -5.270 -0.141 15.568 1.00 2.95 H new ATOM 0 HD2 ARG B 151 -7.417 -1.941 15.485 1.00 3.01 H new ATOM 0 HD3 ARG B 151 -7.248 -1.572 17.189 1.00 3.01 H new ATOM 0 HE ARG B 151 -7.215 0.920 16.285 1.00 3.24 H new ATOM 0 HH11 ARG B 151 -9.176 -1.796 15.142 1.00 3.98 H new ATOM 0 HH12 ARG B 151 -10.486 -0.756 14.573 1.00 3.98 H new ATOM 0 HH21 ARG B 151 -8.896 2.238 15.546 1.00 4.07 H new ATOM 0 HH22 ARG B 151 -10.327 1.517 14.801 1.00 4.07 H new ATOM 1550 N CYS B 152 -3.438 -1.728 12.344 1.00 2.48 N ATOM 1551 CA CYS B 152 -2.476 -0.897 11.634 1.00 2.63 C ATOM 1552 C CYS B 152 -3.001 -0.510 10.278 1.00 2.50 C ATOM 1553 O CYS B 152 -2.989 0.659 9.914 1.00 2.67 O ATOM 1554 CB CYS B 152 -1.148 -1.629 11.493 1.00 2.93 C ATOM 1555 SG CYS B 152 0.306 -0.536 11.418 1.00 3.23 S ATOM 0 H CYS B 152 -3.215 -2.723 12.352 1.00 2.48 H new ATOM 0 HA CYS B 152 -2.318 0.013 12.214 1.00 2.63 H new ATOM 0 HB2 CYS B 152 -1.032 -2.312 12.335 1.00 2.93 H new ATOM 0 HB3 CYS B 152 -1.177 -2.239 10.590 1.00 2.93 H new ATOM 1560 N ALA B 153 -3.422 -1.497 9.522 1.00 2.32 N ATOM 1561 CA ALA B 153 -3.976 -1.241 8.209 1.00 2.32 C ATOM 1562 C ALA B 153 -5.074 -0.189 8.294 1.00 2.21 C ATOM 1563 O ALA B 153 -5.196 0.664 7.421 1.00 2.45 O ATOM 1564 CB ALA B 153 -4.505 -2.520 7.598 1.00 2.28 C ATOM 0 H ALA B 153 -3.393 -2.481 9.790 1.00 2.32 H new ATOM 0 HA ALA B 153 -3.184 -0.859 7.565 1.00 2.32 H new ATOM 0 HB1 ALA B 153 -4.918 -2.308 6.612 1.00 2.28 H new ATOM 0 HB2 ALA B 153 -3.693 -3.242 7.505 1.00 2.28 H new ATOM 0 HB3 ALA B 153 -5.286 -2.933 8.237 1.00 2.28 H new ATOM 1570 N GLN B 154 -5.843 -0.246 9.373 1.00 2.00 N ATOM 1571 CA GLN B 154 -6.904 0.705 9.613 1.00 2.06 C ATOM 1572 C GLN B 154 -6.315 2.074 9.953 1.00 2.35 C ATOM 1573 O GLN B 154 -6.796 3.102 9.486 1.00 2.61 O ATOM 1574 CB GLN B 154 -7.781 0.207 10.755 1.00 2.05 C ATOM 1575 CG GLN B 154 -8.466 -1.111 10.445 1.00 1.74 C ATOM 1576 CD GLN B 154 -9.720 -1.307 11.239 1.00 1.62 C ATOM 1577 OE1 GLN B 154 -9.711 -1.907 12.313 1.00 2.13 O ATOM 1578 NE2 GLN B 154 -10.805 -0.793 10.717 1.00 1.56 N ATOM 0 H GLN B 154 -5.744 -0.953 10.101 1.00 2.00 H new ATOM 0 HA GLN B 154 -7.511 0.805 8.713 1.00 2.06 H new ATOM 0 HB2 GLN B 154 -7.171 0.091 11.651 1.00 2.05 H new ATOM 0 HB3 GLN B 154 -8.537 0.959 10.980 1.00 2.05 H new ATOM 0 HG2 GLN B 154 -8.703 -1.152 9.382 1.00 1.74 H new ATOM 0 HG3 GLN B 154 -7.778 -1.931 10.650 1.00 1.74 H new ATOM 0 HE21 GLN B 154 -10.759 -0.304 9.823 1.00 1.56 H new ATOM 0 HE22 GLN B 154 -11.697 -0.881 11.205 1.00 1.56 H new ATOM 1585 N GLN B 155 -5.273 2.067 10.785 1.00 2.42 N ATOM 1586 CA GLN B 155 -4.599 3.292 11.187 1.00 2.79 C ATOM 1587 C GLN B 155 -3.964 3.975 9.984 1.00 3.09 C ATOM 1588 O GLN B 155 -4.170 5.168 9.754 1.00 3.45 O ATOM 1589 CB GLN B 155 -3.538 2.986 12.242 1.00 2.96 C ATOM 1590 CG GLN B 155 -4.090 2.782 13.642 1.00 2.89 C ATOM 1591 CD GLN B 155 -5.519 3.253 13.794 1.00 3.39 C ATOM 1592 OE1 GLN B 155 -5.781 4.417 14.094 1.00 3.95 O ATOM 1593 NE2 GLN B 155 -6.448 2.339 13.591 1.00 3.50 N ATOM 0 H GLN B 155 -4.879 1.219 11.193 1.00 2.42 H new ATOM 0 HA GLN B 155 -5.338 3.969 11.615 1.00 2.79 H new ATOM 0 HB2 GLN B 155 -2.994 2.090 11.944 1.00 2.96 H new ATOM 0 HB3 GLN B 155 -2.817 3.804 12.264 1.00 2.96 H new ATOM 0 HG2 GLN B 155 -4.034 1.724 13.897 1.00 2.89 H new ATOM 0 HG3 GLN B 155 -3.461 3.315 14.355 1.00 2.89 H new ATOM 0 HE21 GLN B 155 -6.181 1.386 13.344 1.00 3.50 H new ATOM 0 HE22 GLN B 155 -7.434 2.585 13.681 1.00 3.50 H new ATOM 1600 N LEU B 156 -3.210 3.201 9.216 1.00 3.06 N ATOM 1601 CA LEU B 156 -2.532 3.704 8.034 1.00 3.49 C ATOM 1602 C LEU B 156 -3.520 4.198 6.982 1.00 3.68 C ATOM 1603 O LEU B 156 -3.517 5.370 6.610 1.00 4.13 O ATOM 1604 CB LEU B 156 -1.686 2.569 7.453 1.00 3.53 C ATOM 1605 CG LEU B 156 -0.503 3.010 6.601 1.00 4.11 C ATOM 1606 CD1 LEU B 156 0.314 4.008 7.375 1.00 4.43 C ATOM 1607 CD2 LEU B 156 0.360 1.823 6.221 1.00 4.41 C ATOM 0 H LEU B 156 -3.053 2.209 9.396 1.00 3.06 H new ATOM 0 HA LEU B 156 -1.909 4.552 8.318 1.00 3.49 H new ATOM 0 HB2 LEU B 156 -1.313 1.958 8.275 1.00 3.53 H new ATOM 0 HB3 LEU B 156 -2.330 1.930 6.848 1.00 3.53 H new ATOM 0 HG LEU B 156 -0.877 3.466 5.684 1.00 4.11 H new ATOM 0 HD11 LEU B 156 1.163 4.329 6.772 1.00 4.43 H new ATOM 0 HD12 LEU B 156 -0.304 4.872 7.620 1.00 4.43 H new ATOM 0 HD13 LEU B 156 0.675 3.547 8.294 1.00 4.43 H new ATOM 0 HD21 LEU B 156 1.198 2.163 5.613 1.00 4.41 H new ATOM 0 HD22 LEU B 156 0.738 1.344 7.124 1.00 4.41 H new ATOM 0 HD23 LEU B 156 -0.235 1.108 5.652 1.00 4.41 H new ATOM 1613 N ALA B 157 -4.358 3.283 6.524 1.00 3.42 N ATOM 1614 CA ALA B 157 -5.374 3.595 5.514 1.00 3.67 C ATOM 1615 C ALA B 157 -6.329 4.691 5.977 1.00 3.76 C ATOM 1616 O ALA B 157 -6.881 5.422 5.159 1.00 4.19 O ATOM 1617 CB ALA B 157 -6.154 2.353 5.117 1.00 3.75 C ATOM 0 H ALA B 157 -4.360 2.311 6.833 1.00 3.42 H new ATOM 0 HA ALA B 157 -4.840 3.968 4.640 1.00 3.67 H new ATOM 0 HB1 ALA B 157 -6.900 2.616 4.367 1.00 3.75 H new ATOM 0 HB2 ALA B 157 -5.471 1.611 4.705 1.00 3.75 H new ATOM 0 HB3 ALA B 157 -6.652 1.940 5.994 1.00 3.75 H new ATOM 1623 N GLY B 158 -6.530 4.802 7.282 1.00 3.59 N ATOM 1624 CA GLY B 158 -7.411 5.823 7.807 1.00 3.97 C ATOM 1625 C GLY B 158 -6.726 7.173 7.905 1.00 4.36 C ATOM 1626 O GLY B 158 -7.377 8.199 8.115 1.00 4.91 O ATOM 0 H GLY B 158 -6.099 4.203 7.986 1.00 3.59 H new ATOM 0 HA2 GLY B 158 -8.289 5.908 7.166 1.00 3.97 H new ATOM 0 HA3 GLY B 158 -7.764 5.524 8.794 1.00 3.97 H new ATOM 1630 N LYS B 159 -5.411 7.173 7.732 1.00 4.48 N ATOM 1631 CA LYS B 159 -4.619 8.386 7.809 1.00 5.33 C ATOM 1632 C LYS B 159 -4.247 8.872 6.412 1.00 5.77 C ATOM 1633 O LYS B 159 -3.143 9.376 6.187 1.00 6.56 O ATOM 1634 CB LYS B 159 -3.356 8.134 8.626 1.00 5.95 C ATOM 1635 CG LYS B 159 -2.806 9.376 9.308 1.00 7.06 C ATOM 1636 CD LYS B 159 -1.339 9.210 9.678 1.00 7.88 C ATOM 1637 CE LYS B 159 -0.431 9.418 8.474 1.00 8.15 C ATOM 1638 NZ LYS B 159 -0.557 10.790 7.914 1.00 8.98 N ATOM 0 H LYS B 159 -4.868 6.333 7.535 1.00 4.48 H new ATOM 0 HA LYS B 159 -5.213 9.157 8.299 1.00 5.33 H new ATOM 0 HB2 LYS B 159 -3.569 7.380 9.383 1.00 5.95 H new ATOM 0 HB3 LYS B 159 -2.588 7.720 7.972 1.00 5.95 H new ATOM 0 HG2 LYS B 159 -2.920 10.235 8.647 1.00 7.06 H new ATOM 0 HG3 LYS B 159 -3.387 9.586 10.206 1.00 7.06 H new ATOM 0 HD2 LYS B 159 -1.077 9.923 10.460 1.00 7.88 H new ATOM 0 HD3 LYS B 159 -1.177 8.213 10.089 1.00 7.88 H new ATOM 0 HE2 LYS B 159 0.604 9.238 8.765 1.00 8.15 H new ATOM 0 HE3 LYS B 159 -0.677 8.687 7.703 1.00 8.15 H new ATOM 0 HZ1 LYS B 159 0.297 11.022 7.368 1.00 8.98 H new ATOM 0 HZ2 LYS B 159 -1.389 10.836 7.291 1.00 8.98 H new ATOM 0 HZ3 LYS B 159 -0.668 11.473 8.690 1.00 8.98 H new