USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 853 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -115:sc= 1.21 (180deg=-0.864) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 48:sc= 0.738 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0635) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -130:sc= -0.723 (180deg=-2.17!) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.101 F(o=-0.63,f=-0.1) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 100:sc= 0.743 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -179:sc= 0.851 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.03 K(o=-2,f=-2.8!) USER MOD Single : A 63 GLN :FLIP amide:sc= -4.19! C(o=-6.3!,f=-4.2!) USER MOD Single : A 67 SER OG : rot 77:sc= 0.935 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 0.845 (180deg=0.431) USER MOD Single : A 74 THR OG1 : rot -83:sc= -0.914 USER MOD Single : A 76 THR OG1 : rot -64:sc= -0.842 USER MOD Single : A 78 GLN : amide:sc= -0.918 K(o=-0.92,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc=-0.00166 (180deg=-0.327) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -150:sc= 0.00153 (180deg=0) USER MOD Single : A 90 SER OG : rot 107:sc= 0.816 USER MOD Single : A 93 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= 0.144! (180deg=-0.201!) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.213) USER MOD Single : A 100 THR OG1 : rot 69:sc= -0.153 USER MOD Single : A 102 ASN :FLIP amide:sc= 0.0911! F(o=-0.71,f=0.091!) USER MOD Single : B 5 TYR OH : rot -1:sc= -5.53! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.131 -1.819 8.922 1.00 0.24 N ATOM 21 CA VAL A 2 -2.813 -1.681 8.230 1.00 0.19 C ATOM 22 C VAL A 2 -2.019 -2.986 8.373 1.00 0.22 C ATOM 23 O VAL A 2 -2.317 -3.815 9.209 1.00 0.28 O ATOM 24 CB VAL A 2 -2.028 -0.530 8.864 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.692 -0.355 8.139 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.840 0.764 8.752 1.00 0.30 C ATOM 0 HA VAL A 2 -2.975 -1.473 7.172 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.843 -0.756 9.914 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.136 0.465 8.593 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.112 -1.274 8.218 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.875 -0.131 7.088 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.282 1.584 9.203 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.026 0.987 7.701 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.791 0.643 9.271 1.00 0.30 H new ATOM 36 N LYS A 3 -1.012 -3.175 7.559 1.00 0.18 N ATOM 37 CA LYS A 3 -0.196 -4.426 7.644 1.00 0.22 C ATOM 38 C LYS A 3 1.203 -4.154 7.090 1.00 0.16 C ATOM 39 O LYS A 3 1.365 -3.743 5.958 1.00 0.13 O ATOM 40 CB LYS A 3 -0.866 -5.533 6.819 1.00 0.26 C ATOM 41 CG LYS A 3 -0.085 -6.853 6.939 1.00 0.34 C ATOM 42 CD LYS A 3 -0.140 -7.384 8.385 1.00 0.81 C ATOM 43 CE LYS A 3 0.124 -8.901 8.406 1.00 1.37 C ATOM 44 NZ LYS A 3 -1.160 -9.632 8.209 1.00 1.97 N ATOM 0 H LYS A 3 -0.718 -2.516 6.838 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.123 -4.744 8.684 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.890 -5.679 7.162 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.920 -5.231 5.773 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.504 -7.593 6.257 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.952 -6.697 6.642 1.00 0.34 H new ATOM 0 HD2 LYS A 3 0.601 -6.870 8.997 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.116 -7.171 8.821 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.831 -9.169 7.621 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.577 -9.189 9.355 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.982 -10.657 8.223 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -1.821 -9.385 8.973 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.574 -9.365 7.293 1.00 1.97 H new ATOM 58 N GLN A 4 2.216 -4.376 7.883 1.00 0.18 N ATOM 59 CA GLN A 4 3.611 -4.128 7.414 1.00 0.15 C ATOM 60 C GLN A 4 4.194 -5.407 6.802 1.00 0.13 C ATOM 61 O GLN A 4 4.083 -6.482 7.357 1.00 0.14 O ATOM 62 CB GLN A 4 4.464 -3.695 8.612 1.00 0.20 C ATOM 63 CG GLN A 4 5.958 -3.746 8.254 1.00 0.21 C ATOM 64 CD GLN A 4 6.761 -2.950 9.284 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.319 -2.754 10.398 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.935 -2.479 8.956 1.00 0.98 N ATOM 0 H GLN A 4 2.138 -4.720 8.840 1.00 0.18 H new ATOM 0 HA GLN A 4 3.609 -3.346 6.655 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.191 -2.684 8.915 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.265 -4.347 9.463 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.301 -4.780 8.231 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.117 -3.335 7.257 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.307 -2.643 8.021 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.479 -1.947 9.635 1.00 0.98 H new ATOM 75 N ILE A 5 4.834 -5.282 5.668 1.00 0.10 N ATOM 76 CA ILE A 5 5.462 -6.461 4.996 1.00 0.10 C ATOM 77 C ILE A 5 6.981 -6.322 5.116 1.00 0.10 C ATOM 78 O ILE A 5 7.578 -5.464 4.496 1.00 0.11 O ATOM 79 CB ILE A 5 5.084 -6.465 3.512 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.598 -6.085 3.324 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.376 -7.834 2.894 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.660 -7.023 4.102 1.00 0.19 C ATOM 0 H ILE A 5 4.950 -4.399 5.171 1.00 0.10 H new ATOM 0 HA ILE A 5 5.118 -7.385 5.461 1.00 0.10 H new ATOM 0 HB ILE A 5 5.690 -5.718 2.999 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.442 -5.059 3.656 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.347 -6.119 2.264 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.103 -7.823 1.839 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.438 -8.058 2.991 1.00 0.13 H new ATOM 0 HG23 ILE A 5 4.795 -8.598 3.411 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.626 -6.719 3.941 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.796 -8.046 3.752 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.892 -6.970 5.166 1.00 0.19 H new ATOM 94 N GLU A 6 7.611 -7.146 5.906 1.00 0.11 N ATOM 95 CA GLU A 6 9.093 -7.049 6.067 1.00 0.14 C ATOM 96 C GLU A 6 9.779 -8.125 5.222 1.00 0.14 C ATOM 97 O GLU A 6 10.988 -8.152 5.101 1.00 0.17 O ATOM 98 CB GLU A 6 9.441 -7.260 7.540 1.00 0.18 C ATOM 99 CG GLU A 6 8.497 -6.434 8.414 1.00 0.31 C ATOM 100 CD GLU A 6 8.917 -6.567 9.879 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.097 -6.756 10.122 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.050 -6.479 10.734 1.00 1.96 O ATOM 0 H GLU A 6 7.164 -7.885 6.449 1.00 0.11 H new ATOM 0 HA GLU A 6 9.435 -6.068 5.738 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.359 -8.316 7.796 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.474 -6.967 7.725 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.524 -5.388 8.110 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.470 -6.777 8.286 1.00 0.31 H new ATOM 109 N SER A 7 9.022 -9.015 4.633 1.00 0.13 N ATOM 110 CA SER A 7 9.642 -10.088 3.797 1.00 0.15 C ATOM 111 C SER A 7 8.657 -10.542 2.716 1.00 0.14 C ATOM 112 O SER A 7 7.456 -10.440 2.871 1.00 0.12 O ATOM 113 CB SER A 7 10.005 -11.276 4.686 1.00 0.20 C ATOM 114 OG SER A 7 8.872 -11.648 5.460 1.00 0.23 O ATOM 0 H SER A 7 8.004 -9.046 4.694 1.00 0.13 H new ATOM 0 HA SER A 7 10.541 -9.697 3.320 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.333 -12.116 4.074 1.00 0.20 H new ATOM 0 HB3 SER A 7 10.837 -11.014 5.340 1.00 0.20 H new ATOM 0 HG SER A 7 9.102 -12.411 6.030 1.00 0.23 H new ATOM 120 N LYS A 8 9.162 -11.042 1.622 1.00 0.15 N ATOM 121 CA LYS A 8 8.269 -11.505 0.524 1.00 0.14 C ATOM 122 C LYS A 8 7.226 -12.480 1.077 1.00 0.14 C ATOM 123 O LYS A 8 6.106 -12.538 0.610 1.00 0.13 O ATOM 124 CB LYS A 8 9.108 -12.202 -0.555 1.00 0.17 C ATOM 125 CG LYS A 8 8.305 -12.296 -1.857 1.00 0.21 C ATOM 126 CD LYS A 8 8.953 -13.324 -2.789 1.00 0.22 C ATOM 127 CE LYS A 8 8.175 -13.381 -4.106 1.00 1.06 C ATOM 128 NZ LYS A 8 8.732 -14.462 -4.967 1.00 1.90 N ATOM 0 H LYS A 8 10.160 -11.150 1.441 1.00 0.15 H new ATOM 0 HA LYS A 8 7.757 -10.647 0.089 1.00 0.14 H new ATOM 0 HB2 LYS A 8 10.031 -11.648 -0.725 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.392 -13.199 -0.220 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.276 -12.584 -1.641 1.00 0.21 H new ATOM 0 HG3 LYS A 8 8.268 -11.322 -2.344 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.992 -13.054 -2.979 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.960 -14.306 -2.316 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.119 -13.566 -3.909 1.00 1.06 H new ATOM 0 HE3 LYS A 8 8.240 -12.422 -4.620 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 9.152 -14.044 -5.822 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.463 -14.982 -4.441 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 7.970 -15.116 -5.240 1.00 1.90 H new ATOM 142 N THR A 9 7.586 -13.252 2.066 1.00 0.16 N ATOM 143 CA THR A 9 6.616 -14.225 2.643 1.00 0.18 C ATOM 144 C THR A 9 5.392 -13.481 3.182 1.00 0.16 C ATOM 145 O THR A 9 4.269 -13.917 3.022 1.00 0.17 O ATOM 146 CB THR A 9 7.285 -14.991 3.778 1.00 0.21 C ATOM 147 OG1 THR A 9 8.475 -15.602 3.301 1.00 0.24 O ATOM 148 CG2 THR A 9 6.331 -16.064 4.307 1.00 0.25 C ATOM 0 H THR A 9 8.510 -13.251 2.499 1.00 0.16 H new ATOM 0 HA THR A 9 6.299 -14.921 1.867 1.00 0.18 H new ATOM 0 HB THR A 9 7.531 -14.301 4.585 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.906 -16.093 4.031 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.812 -16.610 5.118 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.421 -15.591 4.677 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.080 -16.756 3.503 1.00 0.25 H new ATOM 156 N ALA A 10 5.601 -12.367 3.823 1.00 0.16 N ATOM 157 CA ALA A 10 4.455 -11.594 4.381 1.00 0.17 C ATOM 158 C ALA A 10 3.646 -10.967 3.238 1.00 0.15 C ATOM 159 O ALA A 10 2.469 -10.699 3.376 1.00 0.17 O ATOM 160 CB ALA A 10 4.997 -10.499 5.310 1.00 0.20 C ATOM 0 H ALA A 10 6.520 -11.955 3.986 1.00 0.16 H new ATOM 0 HA ALA A 10 3.801 -12.258 4.946 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.166 -9.928 5.723 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.561 -10.957 6.122 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.649 -9.833 4.745 1.00 0.20 H new ATOM 166 N PHE A 11 4.263 -10.729 2.111 1.00 0.12 N ATOM 167 CA PHE A 11 3.518 -10.118 0.970 1.00 0.11 C ATOM 168 C PHE A 11 2.359 -11.023 0.557 1.00 0.13 C ATOM 169 O PHE A 11 1.206 -10.681 0.724 1.00 0.16 O ATOM 170 CB PHE A 11 4.458 -9.929 -0.225 1.00 0.10 C ATOM 171 CG PHE A 11 3.692 -9.307 -1.374 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.252 -7.973 -1.283 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.426 -10.056 -2.538 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.546 -7.388 -2.352 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.719 -9.471 -3.607 1.00 0.18 C ATOM 176 CZ PHE A 11 2.281 -8.137 -3.514 1.00 0.21 C ATOM 0 H PHE A 11 5.247 -10.930 1.931 1.00 0.12 H new ATOM 0 HA PHE A 11 3.128 -9.150 1.286 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.296 -9.291 0.055 1.00 0.10 H new ATOM 0 HB3 PHE A 11 4.875 -10.889 -0.529 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.456 -7.397 -0.392 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.764 -11.079 -2.610 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.208 -6.365 -2.280 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.513 -10.046 -4.498 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.741 -7.688 -4.334 1.00 0.21 H new ATOM 186 N GLN A 12 2.651 -12.168 0.006 1.00 0.15 N ATOM 187 CA GLN A 12 1.558 -13.081 -0.433 1.00 0.19 C ATOM 188 C GLN A 12 0.616 -13.362 0.739 1.00 0.17 C ATOM 189 O GLN A 12 -0.589 -13.389 0.583 1.00 0.16 O ATOM 190 CB GLN A 12 2.155 -14.398 -0.943 1.00 0.24 C ATOM 191 CG GLN A 12 3.208 -14.912 0.043 1.00 1.21 C ATOM 192 CD GLN A 12 3.824 -16.202 -0.499 1.00 1.77 C ATOM 193 OE1 GLN A 12 3.999 -17.158 0.230 1.00 2.35 O ATOM 194 NE2 GLN A 12 4.164 -16.271 -1.757 1.00 2.47 N ATOM 0 H GLN A 12 3.597 -12.511 -0.159 1.00 0.15 H new ATOM 0 HA GLN A 12 0.998 -12.606 -1.238 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.367 -15.141 -1.066 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.606 -14.247 -1.924 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.983 -14.160 0.190 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.753 -15.094 1.016 1.00 1.21 H new ATOM 0 HE21 GLN A 12 4.017 -15.469 -2.370 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.576 -17.127 -2.128 1.00 2.47 H new ATOM 203 N GLU A 13 1.147 -13.567 1.910 1.00 0.19 N ATOM 204 CA GLU A 13 0.273 -13.842 3.080 1.00 0.20 C ATOM 205 C GLU A 13 -0.674 -12.659 3.300 1.00 0.18 C ATOM 206 O GLU A 13 -1.822 -12.832 3.657 1.00 0.19 O ATOM 207 CB GLU A 13 1.143 -14.040 4.324 1.00 0.25 C ATOM 208 CG GLU A 13 1.779 -15.433 4.301 1.00 0.30 C ATOM 209 CD GLU A 13 0.714 -16.488 4.605 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.238 -16.161 5.294 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.869 -17.607 4.144 1.00 2.03 O ATOM 0 H GLU A 13 2.148 -13.556 2.107 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.312 -14.743 2.896 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.920 -13.277 4.360 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.539 -13.922 5.223 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.226 -15.624 3.325 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.582 -15.490 5.036 1.00 0.30 H new ATOM 218 N ALA A 14 -0.202 -11.459 3.096 1.00 0.18 N ATOM 219 CA ALA A 14 -1.080 -10.274 3.301 1.00 0.18 C ATOM 220 C ALA A 14 -2.279 -10.353 2.348 1.00 0.18 C ATOM 221 O ALA A 14 -3.411 -10.141 2.736 1.00 0.19 O ATOM 222 CB ALA A 14 -0.284 -8.998 3.022 1.00 0.20 C ATOM 0 H ALA A 14 0.750 -11.249 2.797 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.439 -10.260 4.330 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.925 -8.129 3.172 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.566 -8.943 3.702 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.075 -9.011 1.993 1.00 0.20 H new ATOM 228 N LEU A 15 -2.033 -10.656 1.102 1.00 0.17 N ATOM 229 CA LEU A 15 -3.146 -10.753 0.109 1.00 0.18 C ATOM 230 C LEU A 15 -4.095 -11.887 0.506 1.00 0.18 C ATOM 231 O LEU A 15 -5.300 -11.742 0.470 1.00 0.18 O ATOM 232 CB LEU A 15 -2.566 -11.037 -1.284 1.00 0.19 C ATOM 233 CG LEU A 15 -1.312 -10.186 -1.507 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.823 -10.370 -2.945 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.646 -8.710 -1.269 1.00 0.62 C ATOM 0 H LEU A 15 -1.104 -10.842 0.725 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.696 -9.812 0.091 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.320 -12.095 -1.377 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.309 -10.814 -2.050 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.532 -10.499 -0.812 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.069 -9.765 -3.106 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.586 -11.420 -3.117 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.604 -10.056 -3.638 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.753 -8.105 -1.428 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.425 -8.397 -1.964 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.997 -8.577 -0.246 1.00 0.62 H new ATOM 247 N ASP A 16 -3.560 -13.018 0.877 1.00 0.19 N ATOM 248 CA ASP A 16 -4.431 -14.162 1.266 1.00 0.21 C ATOM 249 C ASP A 16 -5.239 -13.795 2.514 1.00 0.20 C ATOM 250 O ASP A 16 -6.408 -14.108 2.622 1.00 0.20 O ATOM 251 CB ASP A 16 -3.562 -15.387 1.562 1.00 0.24 C ATOM 252 CG ASP A 16 -4.453 -16.620 1.731 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.400 -16.750 0.974 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.172 -17.412 2.615 1.00 1.09 O ATOM 0 H ASP A 16 -2.557 -13.199 0.927 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.115 -14.389 0.448 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.853 -15.547 0.750 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.978 -15.221 2.467 1.00 0.24 H new ATOM 259 N ALA A 17 -4.626 -13.138 3.461 1.00 0.22 N ATOM 260 CA ALA A 17 -5.363 -12.757 4.701 1.00 0.24 C ATOM 261 C ALA A 17 -6.205 -11.506 4.438 1.00 0.21 C ATOM 262 O ALA A 17 -7.078 -11.161 5.209 1.00 0.22 O ATOM 263 CB ALA A 17 -4.361 -12.471 5.821 1.00 0.30 C ATOM 0 H ALA A 17 -3.648 -12.849 3.430 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.018 -13.576 4.997 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.898 -12.192 6.728 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.765 -13.363 6.012 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.705 -11.653 5.522 1.00 0.30 H new ATOM 269 N ALA A 18 -5.948 -10.818 3.357 1.00 0.21 N ATOM 270 CA ALA A 18 -6.732 -9.588 3.051 1.00 0.22 C ATOM 271 C ALA A 18 -8.174 -9.964 2.704 1.00 0.21 C ATOM 272 O ALA A 18 -9.025 -9.112 2.543 1.00 0.24 O ATOM 273 CB ALA A 18 -6.095 -8.862 1.865 1.00 0.23 C ATOM 0 H ALA A 18 -5.229 -11.055 2.674 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.732 -8.935 3.924 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.667 -7.962 1.640 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.070 -8.588 2.114 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.093 -9.518 0.995 1.00 0.23 H new ATOM 279 N GLY A 19 -8.458 -11.231 2.588 1.00 0.22 N ATOM 280 CA GLY A 19 -9.848 -11.652 2.251 1.00 0.24 C ATOM 281 C GLY A 19 -10.147 -11.311 0.789 1.00 0.20 C ATOM 282 O GLY A 19 -9.559 -11.866 -0.119 1.00 0.28 O ATOM 0 H GLY A 19 -7.790 -11.992 2.711 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.965 -12.723 2.416 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.560 -11.149 2.905 1.00 0.24 H new ATOM 286 N ASP A 20 -11.057 -10.400 0.556 1.00 0.13 N ATOM 287 CA ASP A 20 -11.405 -10.013 -0.846 1.00 0.18 C ATOM 288 C ASP A 20 -11.591 -8.496 -0.926 1.00 0.15 C ATOM 289 O ASP A 20 -11.962 -7.962 -1.953 1.00 0.22 O ATOM 290 CB ASP A 20 -12.705 -10.710 -1.257 1.00 0.26 C ATOM 291 CG ASP A 20 -12.590 -12.210 -0.982 1.00 1.43 C ATOM 292 OD1 ASP A 20 -11.950 -12.889 -1.768 1.00 2.19 O ATOM 293 OD2 ASP A 20 -13.143 -12.656 0.010 1.00 2.21 O ATOM 0 H ASP A 20 -11.577 -9.905 1.280 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.601 -10.315 -1.518 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.545 -10.291 -0.703 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.903 -10.538 -2.315 1.00 0.26 H new ATOM 298 N LYS A 21 -11.330 -7.791 0.143 1.00 0.12 N ATOM 299 CA LYS A 21 -11.486 -6.311 0.112 1.00 0.19 C ATOM 300 C LYS A 21 -10.390 -5.712 -0.763 1.00 0.15 C ATOM 301 O LYS A 21 -9.461 -6.387 -1.156 1.00 0.15 O ATOM 302 CB LYS A 21 -11.358 -5.759 1.532 1.00 0.27 C ATOM 303 CG LYS A 21 -12.647 -6.033 2.305 1.00 0.29 C ATOM 304 CD LYS A 21 -12.411 -5.761 3.794 1.00 0.30 C ATOM 305 CE LYS A 21 -13.754 -5.582 4.502 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.523 -5.343 5.954 1.00 1.90 N ATOM 0 H LYS A 21 -11.016 -8.177 1.034 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.464 -6.052 -0.293 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.512 -6.223 2.039 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.162 -4.687 1.500 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.451 -5.399 1.931 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.961 -7.066 2.157 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.860 -6.588 4.242 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.801 -4.866 3.918 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.298 -4.743 4.067 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.372 -6.469 4.362 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.437 -5.221 6.435 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.021 -6.156 6.364 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -12.950 -4.484 6.078 1.00 1.90 H new ATOM 320 N LEU A 22 -10.481 -4.448 -1.067 1.00 0.13 N ATOM 321 CA LEU A 22 -9.432 -3.824 -1.911 1.00 0.11 C ATOM 322 C LEU A 22 -8.104 -3.885 -1.138 1.00 0.10 C ATOM 323 O LEU A 22 -8.093 -4.065 0.065 1.00 0.11 O ATOM 324 CB LEU A 22 -9.831 -2.359 -2.205 1.00 0.12 C ATOM 325 CG LEU A 22 -9.584 -1.983 -3.677 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.876 -0.490 -3.853 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.129 -2.255 -4.078 1.00 0.11 C ATOM 0 H LEU A 22 -11.232 -3.826 -0.769 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.323 -4.349 -2.860 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.884 -2.214 -1.965 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.262 -1.691 -1.559 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.236 -2.586 -4.309 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.706 -0.206 -4.891 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.914 -0.288 -3.587 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.217 0.088 -3.206 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.982 -1.981 -5.123 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.462 -1.664 -3.450 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.907 -3.314 -3.947 1.00 0.11 H new ATOM 339 N VAL A 23 -6.989 -3.738 -1.806 1.00 0.08 N ATOM 340 CA VAL A 23 -5.675 -3.789 -1.093 1.00 0.09 C ATOM 341 C VAL A 23 -4.694 -2.820 -1.753 1.00 0.08 C ATOM 342 O VAL A 23 -4.180 -3.076 -2.823 1.00 0.09 O ATOM 343 CB VAL A 23 -5.106 -5.209 -1.159 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.930 -5.332 -0.188 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.193 -6.213 -0.769 1.00 0.10 C ATOM 0 H VAL A 23 -6.930 -3.585 -2.813 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.823 -3.505 -0.051 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.765 -5.417 -2.173 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.524 -6.343 -0.234 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.155 -4.617 -0.463 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.272 -5.124 0.826 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.788 -7.224 -0.816 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.533 -6.005 0.245 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -7.033 -6.126 -1.458 1.00 0.10 H new ATOM 355 N VAL A 24 -4.421 -1.708 -1.110 1.00 0.08 N ATOM 356 CA VAL A 24 -3.461 -0.711 -1.678 1.00 0.08 C ATOM 357 C VAL A 24 -2.145 -0.805 -0.908 1.00 0.08 C ATOM 358 O VAL A 24 -2.122 -0.802 0.307 1.00 0.08 O ATOM 359 CB VAL A 24 -4.044 0.700 -1.550 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.270 1.663 -2.454 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.515 0.686 -1.968 1.00 0.09 C ATOM 0 H VAL A 24 -4.826 -1.448 -0.210 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.286 -0.922 -2.733 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.961 1.029 -0.514 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.688 2.665 -2.360 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.221 1.678 -2.157 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.349 1.333 -3.490 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.929 1.690 -1.877 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.596 0.353 -3.003 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.070 0.005 -1.323 1.00 0.09 H new ATOM 371 N VAL A 25 -1.048 -0.906 -1.613 1.00 0.09 N ATOM 372 CA VAL A 25 0.288 -1.022 -0.949 1.00 0.09 C ATOM 373 C VAL A 25 1.049 0.289 -1.100 1.00 0.10 C ATOM 374 O VAL A 25 1.024 0.912 -2.141 1.00 0.17 O ATOM 375 CB VAL A 25 1.091 -2.138 -1.626 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.259 -2.549 -0.730 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.183 -3.343 -1.870 1.00 0.09 C ATOM 0 H VAL A 25 -1.019 -0.913 -2.633 1.00 0.09 H new ATOM 0 HA VAL A 25 0.148 -1.247 0.108 1.00 0.09 H new ATOM 0 HB VAL A 25 1.479 -1.777 -2.578 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.828 -3.343 -1.215 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.908 -1.689 -0.561 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.876 -2.908 0.225 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.754 -4.137 -2.352 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.208 -3.703 -0.918 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.646 -3.050 -2.515 1.00 0.09 H new ATOM 387 N ASP A 26 1.737 0.701 -0.071 1.00 0.08 N ATOM 388 CA ASP A 26 2.527 1.966 -0.135 1.00 0.08 C ATOM 389 C ASP A 26 4.016 1.624 -0.108 1.00 0.08 C ATOM 390 O ASP A 26 4.588 1.385 0.936 1.00 0.09 O ATOM 391 CB ASP A 26 2.180 2.843 1.072 1.00 0.09 C ATOM 392 CG ASP A 26 3.113 4.059 1.111 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.733 4.339 0.099 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.190 4.686 2.154 1.00 0.96 O ATOM 0 H ASP A 26 1.787 0.210 0.822 1.00 0.08 H new ATOM 0 HA ASP A 26 2.291 2.505 -1.052 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.142 3.170 1.010 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.278 2.267 1.992 1.00 0.09 H new ATOM 399 N PHE A 27 4.650 1.609 -1.246 1.00 0.08 N ATOM 400 CA PHE A 27 6.104 1.297 -1.282 1.00 0.09 C ATOM 401 C PHE A 27 6.865 2.589 -1.007 1.00 0.11 C ATOM 402 O PHE A 27 7.297 3.269 -1.915 1.00 0.13 O ATOM 403 CB PHE A 27 6.480 0.796 -2.674 1.00 0.10 C ATOM 404 CG PHE A 27 6.073 -0.649 -2.856 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.752 -0.976 -3.223 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.025 -1.671 -2.681 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.387 -2.325 -3.409 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.660 -3.016 -2.871 1.00 0.21 C ATOM 409 CZ PHE A 27 5.341 -3.343 -3.233 1.00 0.23 C ATOM 0 H PHE A 27 4.224 1.799 -2.153 1.00 0.08 H new ATOM 0 HA PHE A 27 6.347 0.534 -0.542 1.00 0.09 H new ATOM 0 HB2 PHE A 27 5.994 1.413 -3.430 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.555 0.897 -2.823 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.020 -0.194 -3.362 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.038 -1.422 -2.400 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.374 -2.577 -3.687 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.393 -3.798 -2.739 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.061 -4.376 -3.376 1.00 0.23 H new ATOM 419 N SER A 28 7.018 2.935 0.241 1.00 0.11 N ATOM 420 CA SER A 28 7.740 4.191 0.602 1.00 0.12 C ATOM 421 C SER A 28 9.080 3.829 1.233 1.00 0.10 C ATOM 422 O SER A 28 9.554 2.717 1.118 1.00 0.11 O ATOM 423 CB SER A 28 6.897 4.972 1.611 1.00 0.17 C ATOM 424 OG SER A 28 5.759 5.512 0.953 1.00 1.03 O ATOM 0 H SER A 28 6.671 2.397 1.035 1.00 0.11 H new ATOM 0 HA SER A 28 7.907 4.798 -0.288 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.585 4.318 2.425 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.489 5.773 2.055 1.00 0.17 H new ATOM 0 HG SER A 28 5.332 4.815 0.413 1.00 1.03 H new ATOM 430 N ALA A 29 9.690 4.764 1.907 1.00 0.10 N ATOM 431 CA ALA A 29 11.006 4.491 2.565 1.00 0.15 C ATOM 432 C ALA A 29 11.031 5.181 3.933 1.00 0.18 C ATOM 433 O ALA A 29 10.789 6.367 4.052 1.00 0.26 O ATOM 434 CB ALA A 29 12.136 5.024 1.679 1.00 0.19 C ATOM 0 H ALA A 29 9.334 5.712 2.033 1.00 0.10 H new ATOM 0 HA ALA A 29 11.143 3.418 2.702 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.096 4.827 2.156 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.103 4.527 0.709 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.014 6.098 1.540 1.00 0.19 H new ATOM 440 N THR A 30 11.297 4.429 4.968 1.00 0.18 N ATOM 441 CA THR A 30 11.310 5.008 6.345 1.00 0.23 C ATOM 442 C THR A 30 12.444 6.027 6.511 1.00 0.26 C ATOM 443 O THR A 30 12.330 6.961 7.279 1.00 0.31 O ATOM 444 CB THR A 30 11.499 3.879 7.361 1.00 0.26 C ATOM 445 OG1 THR A 30 11.556 4.429 8.671 1.00 0.32 O ATOM 446 CG2 THR A 30 12.799 3.132 7.063 1.00 0.28 C ATOM 0 H THR A 30 11.507 3.432 4.919 1.00 0.18 H new ATOM 0 HA THR A 30 10.362 5.519 6.511 1.00 0.23 H new ATOM 0 HB THR A 30 10.661 3.185 7.293 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.675 3.708 9.324 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.931 2.329 7.788 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.755 2.711 6.059 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.639 3.823 7.130 1.00 0.28 H new ATOM 454 N TRP A 31 13.541 5.860 5.820 1.00 0.26 N ATOM 455 CA TRP A 31 14.668 6.832 5.979 1.00 0.32 C ATOM 456 C TRP A 31 14.463 8.022 5.045 1.00 0.32 C ATOM 457 O TRP A 31 15.106 9.044 5.179 1.00 0.36 O ATOM 458 CB TRP A 31 16.000 6.142 5.652 1.00 0.34 C ATOM 459 CG TRP A 31 16.095 5.837 4.192 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.784 4.650 3.623 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.539 6.706 3.111 1.00 0.33 C ATOM 462 NE1 TRP A 31 16.006 4.733 2.260 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.466 5.981 1.891 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.991 8.045 3.067 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.832 6.564 0.669 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.359 8.634 1.841 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.277 7.896 0.643 1.00 0.40 C ATOM 0 H TRP A 31 13.707 5.102 5.158 1.00 0.26 H new ATOM 0 HA TRP A 31 14.690 7.186 7.010 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.830 6.784 5.949 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.088 5.220 6.227 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.421 3.779 4.148 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.849 3.965 1.607 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.055 8.620 3.979 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.772 5.993 -0.246 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.706 9.657 1.819 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.556 8.354 -0.294 1.00 0.40 H new ATOM 478 N CYS A 32 13.575 7.899 4.099 1.00 0.28 N ATOM 479 CA CYS A 32 13.333 9.019 3.146 1.00 0.30 C ATOM 480 C CYS A 32 12.156 9.871 3.639 1.00 0.31 C ATOM 481 O CYS A 32 11.093 9.370 3.946 1.00 0.29 O ATOM 482 CB CYS A 32 13.031 8.427 1.764 1.00 0.28 C ATOM 483 SG CYS A 32 13.596 9.565 0.474 1.00 0.32 S ATOM 0 H CYS A 32 13.004 7.068 3.944 1.00 0.28 H new ATOM 0 HA CYS A 32 14.213 9.658 3.081 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.528 7.463 1.655 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.961 8.248 1.661 1.00 0.28 H new ATOM 488 N GLY A 33 12.354 11.157 3.722 1.00 0.34 N ATOM 489 CA GLY A 33 11.277 12.068 4.197 1.00 0.36 C ATOM 490 C GLY A 33 10.143 12.190 3.161 1.00 0.35 C ATOM 491 O GLY A 33 9.001 11.961 3.495 1.00 0.33 O ATOM 0 H GLY A 33 13.229 11.621 3.477 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.873 11.696 5.138 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.695 13.054 4.398 1.00 0.36 H new ATOM 495 N PRO A 34 10.474 12.577 1.942 1.00 0.37 N ATOM 496 CA PRO A 34 9.458 12.766 0.883 1.00 0.38 C ATOM 497 C PRO A 34 8.501 11.570 0.804 1.00 0.35 C ATOM 498 O PRO A 34 7.334 11.722 0.506 1.00 0.36 O ATOM 499 CB PRO A 34 10.279 12.936 -0.417 1.00 0.42 C ATOM 500 CG PRO A 34 11.747 13.213 0.012 1.00 0.44 C ATOM 501 CD PRO A 34 11.865 12.842 1.510 1.00 0.40 C ATOM 0 HA PRO A 34 8.817 13.627 1.073 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.219 12.038 -1.032 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.889 13.759 -1.016 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.440 12.622 -0.586 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.003 14.261 -0.146 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.498 11.966 1.652 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.311 13.654 2.085 1.00 0.40 H new ATOM 509 N ALA A 35 8.972 10.388 1.068 1.00 0.33 N ATOM 510 CA ALA A 35 8.064 9.210 1.004 1.00 0.32 C ATOM 511 C ALA A 35 7.176 9.197 2.254 1.00 0.39 C ATOM 512 O ALA A 35 5.965 9.257 2.173 1.00 0.81 O ATOM 513 CB ALA A 35 8.907 7.928 0.930 1.00 0.36 C ATOM 0 H ALA A 35 9.938 10.185 1.324 1.00 0.33 H new ATOM 0 HA ALA A 35 7.431 9.267 0.119 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.248 7.061 0.883 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.534 7.956 0.039 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.538 7.856 1.816 1.00 0.36 H new ATOM 519 N LYS A 36 7.777 9.126 3.406 1.00 0.30 N ATOM 520 CA LYS A 36 6.993 9.114 4.674 1.00 0.28 C ATOM 521 C LYS A 36 6.166 10.399 4.799 1.00 0.24 C ATOM 522 O LYS A 36 5.219 10.465 5.558 1.00 0.25 O ATOM 523 CB LYS A 36 7.972 9.018 5.848 1.00 0.35 C ATOM 524 CG LYS A 36 7.218 9.159 7.174 1.00 0.38 C ATOM 525 CD LYS A 36 8.142 8.747 8.325 1.00 0.49 C ATOM 526 CE LYS A 36 7.467 9.046 9.667 1.00 1.22 C ATOM 527 NZ LYS A 36 7.546 10.508 9.950 1.00 1.92 N ATOM 0 H LYS A 36 8.789 9.075 3.527 1.00 0.30 H new ATOM 0 HA LYS A 36 6.313 8.262 4.677 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.495 8.062 5.818 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.728 9.799 5.766 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.885 10.188 7.309 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.325 8.534 7.167 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.375 7.685 8.254 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.087 9.286 8.255 1.00 0.49 H new ATOM 0 HE2 LYS A 36 6.425 8.726 9.641 1.00 1.22 H new ATOM 0 HE3 LYS A 36 7.954 8.484 10.464 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 7.260 10.687 10.934 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.522 10.837 9.808 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 6.911 11.021 9.306 1.00 1.92 H new ATOM 541 N MET A 37 6.520 11.422 4.075 1.00 0.23 N ATOM 542 CA MET A 37 5.761 12.702 4.171 1.00 0.24 C ATOM 543 C MET A 37 4.293 12.482 3.786 1.00 0.20 C ATOM 544 O MET A 37 3.437 13.285 4.105 1.00 0.20 O ATOM 545 CB MET A 37 6.385 13.743 3.229 1.00 0.29 C ATOM 546 CG MET A 37 5.944 15.149 3.643 1.00 1.31 C ATOM 547 SD MET A 37 6.812 15.625 5.163 1.00 2.12 S ATOM 548 CE MET A 37 7.209 17.332 4.703 1.00 3.13 C ATOM 0 H MET A 37 7.302 11.429 3.420 1.00 0.23 H new ATOM 0 HA MET A 37 5.808 13.061 5.199 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.472 13.669 3.260 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.081 13.545 2.201 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.163 15.861 2.847 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.866 15.172 3.803 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.754 17.811 5.517 1.00 3.13 H new ATOM 0 HE2 MET A 37 7.825 17.333 3.804 1.00 3.13 H new ATOM 0 HE3 MET A 37 6.287 17.881 4.511 1.00 3.13 H new ATOM 558 N ILE A 38 3.995 11.416 3.086 1.00 0.18 N ATOM 559 CA ILE A 38 2.581 11.161 2.655 1.00 0.15 C ATOM 560 C ILE A 38 1.910 10.153 3.589 1.00 0.16 C ATOM 561 O ILE A 38 0.818 9.689 3.330 1.00 0.16 O ATOM 562 CB ILE A 38 2.584 10.608 1.225 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.660 11.336 0.415 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.215 10.838 0.565 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.597 10.886 -1.050 1.00 0.28 C ATOM 0 H ILE A 38 4.669 10.709 2.793 1.00 0.18 H new ATOM 0 HA ILE A 38 2.024 12.097 2.693 1.00 0.15 H new ATOM 0 HB ILE A 38 2.790 9.538 1.253 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.512 12.414 0.481 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.646 11.124 0.829 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.229 10.441 -0.450 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.443 10.330 1.142 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.001 11.906 0.534 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.364 11.406 -1.624 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.767 9.811 -1.108 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.615 11.121 -1.461 1.00 0.28 H new ATOM 577 N LYS A 39 2.533 9.804 4.681 1.00 0.19 N ATOM 578 CA LYS A 39 1.875 8.830 5.587 1.00 0.22 C ATOM 579 C LYS A 39 0.608 9.407 6.256 1.00 0.20 C ATOM 580 O LYS A 39 -0.295 8.653 6.537 1.00 0.21 O ATOM 581 CB LYS A 39 2.864 8.255 6.639 1.00 0.31 C ATOM 582 CG LYS A 39 3.100 9.208 7.835 1.00 0.34 C ATOM 583 CD LYS A 39 3.613 8.408 9.050 1.00 0.45 C ATOM 584 CE LYS A 39 2.526 7.452 9.586 1.00 1.16 C ATOM 585 NZ LYS A 39 2.796 6.074 9.085 1.00 1.62 N ATOM 0 H LYS A 39 3.448 10.143 4.978 1.00 0.19 H new ATOM 0 HA LYS A 39 1.549 8.001 4.959 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.479 7.305 7.010 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.818 8.045 6.155 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.824 9.976 7.562 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.173 9.721 8.091 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.496 7.836 8.766 1.00 0.45 H new ATOM 0 HD3 LYS A 39 3.918 9.095 9.839 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.522 7.461 10.676 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.540 7.784 9.260 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 1.929 5.681 8.667 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.544 6.107 8.363 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.104 5.472 9.875 1.00 1.62 H new ATOM 599 N PRO A 40 0.539 10.699 6.537 1.00 0.20 N ATOM 600 CA PRO A 40 -0.653 11.229 7.217 1.00 0.21 C ATOM 601 C PRO A 40 -1.891 11.028 6.339 1.00 0.17 C ATOM 602 O PRO A 40 -3.001 11.305 6.747 1.00 0.20 O ATOM 603 CB PRO A 40 -0.349 12.718 7.474 1.00 0.24 C ATOM 604 CG PRO A 40 1.100 12.987 6.976 1.00 0.25 C ATOM 605 CD PRO A 40 1.563 11.726 6.213 1.00 0.21 C ATOM 0 HA PRO A 40 -0.868 10.717 8.155 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -1.061 13.352 6.946 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.440 12.951 8.535 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.127 13.861 6.326 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.763 13.194 7.816 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.616 11.909 5.140 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.556 11.411 6.533 1.00 0.21 H new ATOM 613 N PHE A 41 -1.702 10.540 5.140 1.00 0.14 N ATOM 614 CA PHE A 41 -2.857 10.301 4.221 1.00 0.14 C ATOM 615 C PHE A 41 -3.029 8.798 4.010 1.00 0.11 C ATOM 616 O PHE A 41 -3.919 8.192 4.564 1.00 0.13 O ATOM 617 CB PHE A 41 -2.591 10.996 2.884 1.00 0.15 C ATOM 618 CG PHE A 41 -2.902 12.464 3.041 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.934 13.335 3.570 1.00 0.19 C ATOM 620 CD2 PHE A 41 -4.171 12.951 2.678 1.00 0.26 C ATOM 621 CE1 PHE A 41 -2.232 14.701 3.732 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.472 14.317 2.841 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.502 15.193 3.368 1.00 0.27 C ATOM 0 H PHE A 41 -0.790 10.295 4.755 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.770 10.706 4.656 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.552 10.858 2.585 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.209 10.559 2.100 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.963 12.957 3.852 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.913 12.278 2.275 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.488 15.372 4.135 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.445 14.693 2.562 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.731 16.241 3.493 1.00 0.27 H new ATOM 633 N PHE A 42 -2.182 8.196 3.222 1.00 0.10 N ATOM 634 CA PHE A 42 -2.297 6.729 2.967 1.00 0.11 C ATOM 635 C PHE A 42 -2.590 5.975 4.275 1.00 0.11 C ATOM 636 O PHE A 42 -3.568 5.261 4.379 1.00 0.12 O ATOM 637 CB PHE A 42 -0.981 6.228 2.365 1.00 0.13 C ATOM 638 CG PHE A 42 -1.005 4.722 2.269 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.731 4.101 1.239 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.300 3.940 3.204 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.754 2.701 1.142 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.323 2.535 3.107 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.051 1.916 2.074 1.00 0.10 C ATOM 0 H PHE A 42 -1.411 8.658 2.740 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.119 6.547 2.275 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.834 6.663 1.376 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.142 6.549 2.982 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.271 4.701 0.522 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.258 4.418 3.996 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.313 2.225 0.350 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.217 1.934 3.824 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.070 0.839 1.997 1.00 0.10 H new ATOM 653 N HIS A 43 -1.755 6.120 5.263 1.00 0.14 N ATOM 654 CA HIS A 43 -1.993 5.404 6.552 1.00 0.16 C ATOM 655 C HIS A 43 -3.254 5.957 7.238 1.00 0.16 C ATOM 656 O HIS A 43 -3.958 5.239 7.920 1.00 0.18 O ATOM 657 CB HIS A 43 -0.742 5.556 7.450 1.00 0.21 C ATOM 658 CG HIS A 43 -1.107 5.483 8.911 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.608 6.429 9.772 1.00 0.35 N flip ATOM 660 CD2 HIS A 43 -0.998 4.317 9.649 1.00 0.31 C flip ATOM 661 CE1 HIS A 43 -1.811 5.859 11.025 1.00 0.41 C flip ATOM 662 NE2 HIS A 43 -1.427 4.585 10.896 1.00 0.39 N flip ATOM 0 H HIS A 43 -0.918 6.702 5.237 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.161 4.343 6.367 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.023 4.772 7.212 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.255 6.509 7.241 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -0.635 3.366 9.290 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.196 6.342 11.911 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -1.456 3.900 11.651 1.00 0.39 H new ATOM 670 N SER A 44 -3.544 7.216 7.076 1.00 0.20 N ATOM 671 CA SER A 44 -4.757 7.785 7.734 1.00 0.25 C ATOM 672 C SER A 44 -6.025 7.113 7.190 1.00 0.20 C ATOM 673 O SER A 44 -6.942 6.822 7.931 1.00 0.21 O ATOM 674 CB SER A 44 -4.825 9.288 7.473 1.00 0.34 C ATOM 675 OG SER A 44 -6.151 9.744 7.701 1.00 0.97 O ATOM 0 H SER A 44 -2.999 7.875 6.520 1.00 0.20 H new ATOM 0 HA SER A 44 -4.692 7.602 8.807 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.130 9.814 8.127 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.525 9.505 6.448 1.00 0.34 H new ATOM 0 HG SER A 44 -6.198 10.709 7.536 1.00 0.97 H new ATOM 681 N LEU A 45 -6.094 6.872 5.906 1.00 0.18 N ATOM 682 CA LEU A 45 -7.318 6.226 5.340 1.00 0.18 C ATOM 683 C LEU A 45 -7.653 4.969 6.147 1.00 0.16 C ATOM 684 O LEU A 45 -8.740 4.437 6.057 1.00 0.23 O ATOM 685 CB LEU A 45 -7.083 5.833 3.875 1.00 0.19 C ATOM 686 CG LEU A 45 -6.647 7.052 3.048 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.519 6.641 1.578 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.683 8.182 3.178 1.00 0.50 C ATOM 0 H LEU A 45 -5.363 7.092 5.229 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.145 6.934 5.394 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.319 5.058 3.820 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.996 5.411 3.456 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.687 7.412 3.418 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.210 7.502 0.985 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.775 5.850 1.485 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.481 6.278 1.216 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.362 9.040 2.587 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.650 7.833 2.815 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.772 8.475 4.224 1.00 0.50 H new ATOM 700 N SER A 46 -6.732 4.489 6.936 1.00 0.20 N ATOM 701 CA SER A 46 -7.015 3.268 7.742 1.00 0.25 C ATOM 702 C SER A 46 -8.231 3.517 8.638 1.00 0.17 C ATOM 703 O SER A 46 -8.975 2.611 8.957 1.00 0.15 O ATOM 704 CB SER A 46 -5.803 2.936 8.613 1.00 0.36 C ATOM 705 OG SER A 46 -4.646 2.837 7.791 1.00 0.51 O ATOM 0 H SER A 46 -5.801 4.887 7.057 1.00 0.20 H new ATOM 0 HA SER A 46 -7.220 2.433 7.072 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.661 3.709 9.369 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.968 1.998 9.143 1.00 0.36 H new ATOM 0 HG SER A 46 -4.134 3.671 7.845 1.00 0.51 H new ATOM 711 N GLU A 47 -8.433 4.742 9.056 1.00 0.21 N ATOM 712 CA GLU A 47 -9.596 5.057 9.944 1.00 0.21 C ATOM 713 C GLU A 47 -10.772 5.574 9.110 1.00 0.18 C ATOM 714 O GLU A 47 -11.909 5.534 9.538 1.00 0.18 O ATOM 715 CB GLU A 47 -9.181 6.135 10.950 1.00 0.32 C ATOM 716 CG GLU A 47 -7.797 5.805 11.512 1.00 0.39 C ATOM 717 CD GLU A 47 -7.429 6.822 12.594 1.00 1.24 C ATOM 718 OE1 GLU A 47 -7.647 8.002 12.369 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.937 6.404 13.628 1.00 2.00 O ATOM 0 H GLU A 47 -7.842 5.539 8.820 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.901 4.151 10.468 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.165 7.112 10.466 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.909 6.192 11.759 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.793 4.798 11.928 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.055 5.823 10.714 1.00 0.39 H new ATOM 726 N LYS A 48 -10.514 6.068 7.928 1.00 0.18 N ATOM 727 CA LYS A 48 -11.625 6.594 7.079 1.00 0.17 C ATOM 728 C LYS A 48 -12.172 5.471 6.196 1.00 0.15 C ATOM 729 O LYS A 48 -13.287 5.531 5.716 1.00 0.18 O ATOM 730 CB LYS A 48 -11.090 7.728 6.196 1.00 0.21 C ATOM 731 CG LYS A 48 -12.259 8.553 5.651 1.00 0.26 C ATOM 732 CD LYS A 48 -11.718 9.731 4.837 1.00 1.09 C ATOM 733 CE LYS A 48 -12.885 10.589 4.343 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.355 11.755 3.581 1.00 2.16 N ATOM 0 H LYS A 48 -9.584 6.130 7.514 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.425 6.972 7.716 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.420 8.366 6.773 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.507 7.316 5.372 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.898 7.929 5.026 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.875 8.918 6.473 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -11.045 10.331 5.449 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.137 9.365 3.990 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.544 9.996 3.709 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.481 10.933 5.188 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -13.147 12.339 3.245 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.743 12.325 4.199 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.804 11.416 2.766 1.00 2.16 H new ATOM 748 N TYR A 49 -11.392 4.440 5.984 1.00 0.13 N ATOM 749 CA TYR A 49 -11.847 3.293 5.139 1.00 0.13 C ATOM 750 C TYR A 49 -11.489 1.984 5.846 1.00 0.11 C ATOM 751 O TYR A 49 -10.654 1.228 5.391 1.00 0.11 O ATOM 752 CB TYR A 49 -11.149 3.352 3.773 1.00 0.15 C ATOM 753 CG TYR A 49 -11.850 4.359 2.891 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.097 4.039 2.323 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.265 5.616 2.642 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.761 4.972 1.507 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.928 6.551 1.827 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.177 6.230 1.258 1.00 0.21 C ATOM 759 OH TYR A 49 -13.828 7.147 0.457 1.00 0.24 O ATOM 0 H TYR A 49 -10.450 4.343 6.364 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.925 3.347 4.990 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.103 3.630 3.899 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.163 2.369 3.303 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.545 3.075 2.514 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.307 5.862 3.077 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.718 4.725 1.071 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.480 7.515 1.637 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.282 7.957 0.376 1.00 0.24 H new ATOM 769 N SER A 50 -12.120 1.711 6.953 1.00 0.12 N ATOM 770 CA SER A 50 -11.823 0.453 7.688 1.00 0.13 C ATOM 771 C SER A 50 -12.283 -0.739 6.846 1.00 0.13 C ATOM 772 O SER A 50 -12.095 -1.882 7.212 1.00 0.14 O ATOM 773 CB SER A 50 -12.567 0.459 9.024 1.00 0.16 C ATOM 774 OG SER A 50 -13.957 0.633 8.787 1.00 0.17 O ATOM 0 H SER A 50 -12.830 2.306 7.380 1.00 0.12 H new ATOM 0 HA SER A 50 -10.752 0.376 7.874 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.391 -0.476 9.555 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.191 1.262 9.659 1.00 0.16 H new ATOM 0 HG SER A 50 -14.437 0.636 9.642 1.00 0.17 H new ATOM 780 N ASN A 51 -12.884 -0.475 5.715 1.00 0.13 N ATOM 781 CA ASN A 51 -13.362 -1.581 4.834 1.00 0.15 C ATOM 782 C ASN A 51 -12.300 -1.875 3.772 1.00 0.13 C ATOM 783 O ASN A 51 -12.459 -2.759 2.953 1.00 0.14 O ATOM 784 CB ASN A 51 -14.658 -1.152 4.146 1.00 0.17 C ATOM 785 CG ASN A 51 -15.165 -2.286 3.253 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.715 -2.442 2.135 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.089 -3.092 3.702 1.00 0.32 N ATOM 0 H ASN A 51 -13.065 0.465 5.362 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.541 -2.475 5.431 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.411 -0.899 4.892 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.486 -0.256 3.550 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.432 -3.852 3.114 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.467 -2.962 4.640 1.00 0.32 H new ATOM 794 N VAL A 52 -11.217 -1.138 3.786 1.00 0.11 N ATOM 795 CA VAL A 52 -10.123 -1.355 2.788 1.00 0.10 C ATOM 796 C VAL A 52 -8.864 -1.821 3.515 1.00 0.10 C ATOM 797 O VAL A 52 -8.625 -1.468 4.653 1.00 0.11 O ATOM 798 CB VAL A 52 -9.827 -0.039 2.069 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.607 -0.209 1.155 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.043 0.365 1.233 1.00 0.12 C ATOM 0 H VAL A 52 -11.042 -0.387 4.454 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.432 -2.109 2.064 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.615 0.736 2.805 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.401 0.732 0.645 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.742 -0.495 1.753 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.811 -0.985 0.417 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.835 1.303 0.719 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.254 -0.412 0.499 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.907 0.492 1.885 1.00 0.12 H new ATOM 810 N ILE A 53 -8.059 -2.619 2.866 1.00 0.09 N ATOM 811 CA ILE A 53 -6.808 -3.126 3.505 1.00 0.09 C ATOM 812 C ILE A 53 -5.617 -2.295 3.009 1.00 0.09 C ATOM 813 O ILE A 53 -5.391 -2.169 1.823 1.00 0.14 O ATOM 814 CB ILE A 53 -6.600 -4.591 3.103 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.943 -5.352 3.133 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.571 -5.256 4.031 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.725 -5.104 4.438 1.00 0.17 C ATOM 0 H ILE A 53 -8.215 -2.945 1.912 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.887 -3.046 4.589 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.213 -4.625 2.084 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.552 -5.044 2.283 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.756 -6.420 3.021 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.432 -6.296 3.735 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.620 -4.728 3.958 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.930 -5.216 5.060 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.662 -5.660 4.412 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.129 -5.437 5.288 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.938 -4.040 4.538 1.00 0.17 H new ATOM 829 N PHE A 54 -4.849 -1.737 3.910 1.00 0.08 N ATOM 830 CA PHE A 54 -3.659 -0.919 3.512 1.00 0.08 C ATOM 831 C PHE A 54 -2.391 -1.651 3.941 1.00 0.08 C ATOM 832 O PHE A 54 -2.272 -2.094 5.064 1.00 0.11 O ATOM 833 CB PHE A 54 -3.721 0.440 4.210 1.00 0.08 C ATOM 834 CG PHE A 54 -4.949 1.183 3.735 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.013 1.653 2.409 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.030 1.398 4.611 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.157 2.340 1.960 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.174 2.085 4.160 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.237 2.556 2.835 1.00 0.09 C ATOM 0 H PHE A 54 -4.996 -1.813 4.916 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.655 -0.771 2.432 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.757 0.306 5.291 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.823 1.017 3.990 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.185 1.486 1.736 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.982 1.037 5.628 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.205 2.701 0.943 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.004 2.251 4.831 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.114 3.083 2.490 1.00 0.09 H new ATOM 849 N LEU A 55 -1.444 -1.788 3.052 1.00 0.08 N ATOM 850 CA LEU A 55 -0.170 -2.498 3.389 1.00 0.09 C ATOM 851 C LEU A 55 0.975 -1.483 3.382 1.00 0.09 C ATOM 852 O LEU A 55 0.813 -0.350 2.976 1.00 0.10 O ATOM 853 CB LEU A 55 0.111 -3.582 2.332 1.00 0.10 C ATOM 854 CG LEU A 55 -0.692 -4.860 2.626 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.175 -4.534 2.849 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.553 -5.815 1.436 1.00 0.12 C ATOM 0 H LEU A 55 -1.497 -1.436 2.096 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.255 -2.963 4.371 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.147 -3.206 1.342 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.176 -3.813 2.317 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.303 -5.323 3.533 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.723 -5.454 3.055 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.275 -3.855 3.695 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.582 -4.062 1.955 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -1.118 -6.726 1.633 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.939 -5.335 0.537 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.498 -6.065 1.291 1.00 0.12 H new ATOM 868 N GLU A 56 2.135 -1.890 3.819 1.00 0.09 N ATOM 869 CA GLU A 56 3.309 -0.969 3.834 1.00 0.09 C ATOM 870 C GLU A 56 4.547 -1.784 3.472 1.00 0.09 C ATOM 871 O GLU A 56 4.664 -2.936 3.842 1.00 0.10 O ATOM 872 CB GLU A 56 3.468 -0.357 5.231 1.00 0.09 C ATOM 873 CG GLU A 56 4.491 0.787 5.189 1.00 0.11 C ATOM 874 CD GLU A 56 4.351 1.651 6.445 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.045 1.100 7.490 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.551 2.850 6.341 1.00 1.24 O ATOM 0 H GLU A 56 2.322 -2.829 4.170 1.00 0.09 H new ATOM 0 HA GLU A 56 3.171 -0.158 3.119 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.507 0.016 5.585 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.793 -1.121 5.937 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.501 0.382 5.125 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.334 1.395 4.298 1.00 0.11 H new ATOM 883 N VAL A 57 5.461 -1.216 2.726 1.00 0.08 N ATOM 884 CA VAL A 57 6.674 -1.987 2.314 1.00 0.08 C ATOM 885 C VAL A 57 7.920 -1.097 2.347 1.00 0.09 C ATOM 886 O VAL A 57 7.898 0.041 1.921 1.00 0.14 O ATOM 887 CB VAL A 57 6.465 -2.499 0.888 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.636 -3.398 0.497 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.164 -3.298 0.818 1.00 0.09 C ATOM 0 H VAL A 57 5.420 -0.255 2.385 1.00 0.08 H new ATOM 0 HA VAL A 57 6.820 -2.817 3.006 1.00 0.08 H new ATOM 0 HB VAL A 57 6.408 -1.654 0.202 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.490 -3.765 -0.519 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.564 -2.829 0.547 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.691 -4.243 1.183 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.015 -3.663 -0.198 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.219 -4.144 1.503 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.328 -2.658 1.100 1.00 0.09 H new ATOM 899 N ASP A 58 9.016 -1.626 2.837 1.00 0.09 N ATOM 900 CA ASP A 58 10.287 -0.841 2.887 1.00 0.09 C ATOM 901 C ASP A 58 11.139 -1.219 1.669 1.00 0.10 C ATOM 902 O ASP A 58 11.701 -2.294 1.602 1.00 0.11 O ATOM 903 CB ASP A 58 11.044 -1.179 4.179 1.00 0.11 C ATOM 904 CG ASP A 58 12.076 -0.088 4.477 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.671 0.988 4.888 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.254 -0.347 4.290 1.00 1.08 O ATOM 0 H ASP A 58 9.083 -2.574 3.206 1.00 0.09 H new ATOM 0 HA ASP A 58 10.073 0.228 2.872 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.343 -1.266 5.009 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.541 -2.144 4.078 1.00 0.11 H new ATOM 911 N VAL A 59 11.215 -0.352 0.699 1.00 0.12 N ATOM 912 CA VAL A 59 12.004 -0.661 -0.533 1.00 0.15 C ATOM 913 C VAL A 59 13.497 -0.748 -0.217 1.00 0.18 C ATOM 914 O VAL A 59 14.301 -1.049 -1.078 1.00 0.27 O ATOM 915 CB VAL A 59 11.783 0.451 -1.561 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.319 0.455 -1.999 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.127 1.808 -0.936 1.00 0.22 C ATOM 0 H VAL A 59 10.764 0.563 0.703 1.00 0.12 H new ATOM 0 HA VAL A 59 11.670 -1.621 -0.926 1.00 0.15 H new ATOM 0 HB VAL A 59 12.425 0.275 -2.424 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.160 1.247 -2.731 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.070 -0.508 -2.446 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.681 0.629 -1.133 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.969 2.598 -1.671 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.487 1.983 -0.071 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.171 1.809 -0.621 1.00 0.22 H new ATOM 927 N ASP A 60 13.881 -0.456 0.995 1.00 0.16 N ATOM 928 CA ASP A 60 15.332 -0.482 1.358 1.00 0.18 C ATOM 929 C ASP A 60 15.675 -1.750 2.145 1.00 0.17 C ATOM 930 O ASP A 60 16.694 -2.370 1.914 1.00 0.18 O ATOM 931 CB ASP A 60 15.635 0.746 2.211 1.00 0.21 C ATOM 932 CG ASP A 60 15.443 2.009 1.369 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.252 2.234 0.484 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.492 2.729 1.624 1.00 1.08 O ATOM 0 H ASP A 60 13.251 -0.199 1.755 1.00 0.16 H new ATOM 0 HA ASP A 60 15.932 -0.476 0.448 1.00 0.18 H new ATOM 0 HB2 ASP A 60 14.977 0.771 3.079 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.657 0.698 2.587 1.00 0.21 H new ATOM 939 N ASP A 61 14.845 -2.136 3.077 1.00 0.17 N ATOM 940 CA ASP A 61 15.135 -3.362 3.888 1.00 0.17 C ATOM 941 C ASP A 61 14.373 -4.557 3.295 1.00 0.16 C ATOM 942 O ASP A 61 14.779 -5.693 3.443 1.00 0.18 O ATOM 943 CB ASP A 61 14.706 -3.104 5.344 1.00 0.19 C ATOM 944 CG ASP A 61 14.510 -4.429 6.093 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.481 -5.052 5.893 1.00 1.12 O ATOM 946 OD2 ASP A 61 15.393 -4.793 6.852 1.00 1.07 O ATOM 0 H ASP A 61 13.977 -1.657 3.315 1.00 0.17 H new ATOM 0 HA ASP A 61 16.200 -3.591 3.868 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.461 -2.502 5.850 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.779 -2.531 5.359 1.00 0.19 H new ATOM 951 N ALA A 62 13.282 -4.308 2.613 1.00 0.16 N ATOM 952 CA ALA A 62 12.496 -5.423 1.990 1.00 0.16 C ATOM 953 C ALA A 62 12.730 -5.394 0.480 1.00 0.16 C ATOM 954 O ALA A 62 11.815 -5.527 -0.309 1.00 0.15 O ATOM 955 CB ALA A 62 11.005 -5.232 2.282 1.00 0.17 C ATOM 0 H ALA A 62 12.899 -3.375 2.459 1.00 0.16 H new ATOM 0 HA ALA A 62 12.816 -6.380 2.402 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.438 -6.044 1.827 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.842 -5.235 3.360 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.672 -4.281 1.867 1.00 0.17 H new ATOM 961 N GLN A 63 13.956 -5.206 0.078 1.00 0.20 N ATOM 962 CA GLN A 63 14.275 -5.148 -1.376 1.00 0.22 C ATOM 963 C GLN A 63 13.739 -6.392 -2.085 1.00 0.20 C ATOM 964 O GLN A 63 13.681 -6.441 -3.294 1.00 0.20 O ATOM 965 CB GLN A 63 15.792 -5.077 -1.562 1.00 0.29 C ATOM 966 CG GLN A 63 16.330 -3.803 -0.908 1.00 0.90 C ATOM 967 CD GLN A 63 17.852 -3.761 -1.052 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.475 -4.787 -1.567 1.00 2.17 O flip ATOM 969 NE2 GLN A 63 18.482 -2.785 -0.694 1.00 2.22 N flip ATOM 0 H GLN A 63 14.757 -5.089 0.699 1.00 0.20 H new ATOM 0 HA GLN A 63 13.806 -4.262 -1.805 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.264 -5.953 -1.118 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.039 -5.085 -2.624 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.885 -2.925 -1.376 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.053 -3.777 0.146 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.996 -1.984 -0.292 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.497 -2.767 -0.796 1.00 2.22 H new ATOM 978 N ASP A 64 13.351 -7.401 -1.357 1.00 0.19 N ATOM 979 CA ASP A 64 12.829 -8.626 -2.022 1.00 0.20 C ATOM 980 C ASP A 64 11.472 -8.317 -2.649 1.00 0.17 C ATOM 981 O ASP A 64 11.173 -8.743 -3.748 1.00 0.19 O ATOM 982 CB ASP A 64 12.675 -9.743 -0.987 1.00 0.22 C ATOM 983 CG ASP A 64 12.009 -9.185 0.272 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.639 -8.388 0.948 1.00 1.09 O ATOM 985 OD2 ASP A 64 10.881 -9.564 0.540 1.00 1.11 O ATOM 0 H ASP A 64 13.372 -7.431 -0.338 1.00 0.19 H new ATOM 0 HA ASP A 64 13.524 -8.948 -2.797 1.00 0.20 H new ATOM 0 HB2 ASP A 64 12.075 -10.555 -1.399 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.651 -10.161 -0.740 1.00 0.22 H new ATOM 990 N VAL A 65 10.650 -7.572 -1.967 1.00 0.15 N ATOM 991 CA VAL A 65 9.320 -7.230 -2.532 1.00 0.16 C ATOM 992 C VAL A 65 9.514 -6.200 -3.647 1.00 0.16 C ATOM 993 O VAL A 65 8.988 -6.334 -4.735 1.00 0.19 O ATOM 994 CB VAL A 65 8.440 -6.637 -1.429 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.975 -6.659 -1.870 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.602 -7.468 -0.156 1.00 0.18 C ATOM 0 H VAL A 65 10.843 -7.186 -1.043 1.00 0.15 H new ATOM 0 HA VAL A 65 8.839 -8.122 -2.932 1.00 0.16 H new ATOM 0 HB VAL A 65 8.741 -5.607 -1.237 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.352 -6.236 -1.082 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.860 -6.070 -2.780 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.668 -7.687 -2.063 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.977 -7.050 0.633 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.299 -8.497 -0.352 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.645 -7.451 0.160 1.00 0.18 H new ATOM 1006 N ALA A 66 10.276 -5.175 -3.379 1.00 0.16 N ATOM 1007 CA ALA A 66 10.524 -4.133 -4.411 1.00 0.18 C ATOM 1008 C ALA A 66 11.274 -4.751 -5.592 1.00 0.19 C ATOM 1009 O ALA A 66 11.025 -4.428 -6.737 1.00 0.20 O ATOM 1010 CB ALA A 66 11.369 -3.012 -3.802 1.00 0.22 C ATOM 0 H ALA A 66 10.739 -5.015 -2.484 1.00 0.16 H new ATOM 0 HA ALA A 66 9.573 -3.729 -4.758 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.554 -2.246 -4.555 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.836 -2.572 -2.959 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.320 -3.419 -3.458 1.00 0.22 H new ATOM 1016 N SER A 67 12.192 -5.642 -5.325 1.00 0.21 N ATOM 1017 CA SER A 67 12.954 -6.279 -6.436 1.00 0.26 C ATOM 1018 C SER A 67 11.990 -7.093 -7.300 1.00 0.26 C ATOM 1019 O SER A 67 12.038 -7.048 -8.513 1.00 0.29 O ATOM 1020 CB SER A 67 14.036 -7.198 -5.866 1.00 0.31 C ATOM 1021 OG SER A 67 15.029 -6.412 -5.216 1.00 1.29 O ATOM 0 H SER A 67 12.446 -5.955 -4.388 1.00 0.21 H new ATOM 0 HA SER A 67 13.429 -5.507 -7.041 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.596 -7.903 -5.161 1.00 0.31 H new ATOM 0 HB3 SER A 67 14.487 -7.786 -6.665 1.00 0.31 H new ATOM 0 HG SER A 67 14.694 -6.117 -4.344 1.00 1.29 H new ATOM 1027 N GLU A 68 11.109 -7.830 -6.683 1.00 0.26 N ATOM 1028 CA GLU A 68 10.135 -8.639 -7.466 1.00 0.30 C ATOM 1029 C GLU A 68 9.235 -7.701 -8.274 1.00 0.31 C ATOM 1030 O GLU A 68 8.913 -7.963 -9.415 1.00 0.36 O ATOM 1031 CB GLU A 68 9.276 -9.472 -6.507 1.00 0.31 C ATOM 1032 CG GLU A 68 8.497 -10.542 -7.291 1.00 0.39 C ATOM 1033 CD GLU A 68 9.391 -11.758 -7.552 1.00 1.43 C ATOM 1034 OE1 GLU A 68 10.345 -11.620 -8.300 1.00 2.20 O ATOM 1035 OE2 GLU A 68 9.105 -12.807 -6.999 1.00 2.19 O ATOM 0 H GLU A 68 11.022 -7.907 -5.670 1.00 0.26 H new ATOM 0 HA GLU A 68 10.671 -9.304 -8.143 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.910 -9.948 -5.758 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.582 -8.824 -5.972 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.613 -10.844 -6.729 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.147 -10.128 -8.237 1.00 0.39 H new ATOM 1042 N ALA A 69 8.826 -6.604 -7.687 1.00 0.29 N ATOM 1043 CA ALA A 69 7.946 -5.643 -8.417 1.00 0.31 C ATOM 1044 C ALA A 69 8.813 -4.637 -9.178 1.00 0.29 C ATOM 1045 O ALA A 69 8.322 -3.829 -9.942 1.00 0.33 O ATOM 1046 CB ALA A 69 7.065 -4.896 -7.413 1.00 0.31 C ATOM 0 H ALA A 69 9.064 -6.333 -6.733 1.00 0.29 H new ATOM 0 HA ALA A 69 7.316 -6.188 -9.120 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.422 -4.194 -7.945 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.449 -5.611 -6.867 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.696 -4.350 -6.711 1.00 0.31 H new ATOM 1052 N GLU A 70 10.100 -4.686 -8.980 1.00 0.27 N ATOM 1053 CA GLU A 70 11.009 -3.743 -9.694 1.00 0.29 C ATOM 1054 C GLU A 70 10.495 -2.305 -9.558 1.00 0.25 C ATOM 1055 O GLU A 70 10.018 -1.715 -10.507 1.00 0.26 O ATOM 1056 CB GLU A 70 11.070 -4.123 -11.175 1.00 0.38 C ATOM 1057 CG GLU A 70 11.642 -5.535 -11.318 1.00 1.18 C ATOM 1058 CD GLU A 70 11.773 -5.886 -12.801 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.789 -6.320 -13.376 1.00 2.34 O ATOM 1060 OE2 GLU A 70 12.856 -5.717 -13.337 1.00 2.06 O ATOM 0 H GLU A 70 10.565 -5.341 -8.352 1.00 0.27 H new ATOM 0 HA GLU A 70 12.004 -3.806 -9.254 1.00 0.29 H new ATOM 0 HB2 GLU A 70 10.073 -4.077 -11.614 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.691 -3.411 -11.719 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.616 -5.595 -10.832 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.992 -6.254 -10.819 1.00 1.18 H new ATOM 1067 N VAL A 71 10.603 -1.732 -8.389 1.00 0.22 N ATOM 1068 CA VAL A 71 10.138 -0.326 -8.198 1.00 0.19 C ATOM 1069 C VAL A 71 11.199 0.628 -8.749 1.00 0.23 C ATOM 1070 O VAL A 71 12.379 0.453 -8.517 1.00 0.28 O ATOM 1071 CB VAL A 71 9.931 -0.051 -6.708 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.351 1.354 -6.530 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.956 -1.079 -6.131 1.00 0.19 C ATOM 0 H VAL A 71 10.993 -2.176 -7.558 1.00 0.22 H new ATOM 0 HA VAL A 71 9.196 -0.176 -8.725 1.00 0.19 H new ATOM 0 HB VAL A 71 10.886 -0.123 -6.187 1.00 0.18 H new ATOM 0 HG11 VAL A 71 9.202 1.554 -5.469 1.00 0.19 H new ATOM 0 HG12 VAL A 71 10.042 2.088 -6.944 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.395 1.422 -7.050 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.808 -0.884 -5.069 1.00 0.19 H new ATOM 0 HG22 VAL A 71 8.000 -1.006 -6.650 1.00 0.19 H new ATOM 0 HG23 VAL A 71 9.364 -2.081 -6.262 1.00 0.19 H new ATOM 1083 N LYS A 72 10.787 1.634 -9.483 1.00 0.24 N ATOM 1084 CA LYS A 72 11.764 2.609 -10.065 1.00 0.29 C ATOM 1085 C LYS A 72 11.565 3.986 -9.427 1.00 0.26 C ATOM 1086 O LYS A 72 12.382 4.872 -9.582 1.00 0.27 O ATOM 1087 CB LYS A 72 11.533 2.730 -11.578 1.00 0.35 C ATOM 1088 CG LYS A 72 11.535 1.332 -12.241 1.00 0.43 C ATOM 1089 CD LYS A 72 10.099 0.805 -12.377 1.00 1.16 C ATOM 1090 CE LYS A 72 10.118 -0.565 -13.060 1.00 1.66 C ATOM 1091 NZ LYS A 72 8.807 -1.241 -12.849 1.00 2.40 N ATOM 0 H LYS A 72 9.810 1.823 -9.705 1.00 0.24 H new ATOM 0 HA LYS A 72 12.776 2.254 -9.870 1.00 0.29 H new ATOM 0 HB2 LYS A 72 10.582 3.227 -11.768 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.311 3.350 -12.022 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.003 1.389 -13.224 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.129 0.640 -11.644 1.00 0.43 H new ATOM 0 HD2 LYS A 72 9.635 0.726 -11.394 1.00 1.16 H new ATOM 0 HD3 LYS A 72 9.498 1.504 -12.958 1.00 1.16 H new ATOM 0 HE2 LYS A 72 10.313 -0.449 -14.126 1.00 1.66 H new ATOM 0 HE3 LYS A 72 10.924 -1.175 -12.653 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 8.682 -1.986 -13.563 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 8.783 -1.664 -11.899 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 8.039 -0.545 -12.937 1.00 2.40 H new ATOM 1105 N ALA A 73 10.487 4.183 -8.716 1.00 0.22 N ATOM 1106 CA ALA A 73 10.253 5.519 -8.083 1.00 0.20 C ATOM 1107 C ALA A 73 9.347 5.361 -6.855 1.00 0.18 C ATOM 1108 O ALA A 73 8.374 4.636 -6.889 1.00 0.16 O ATOM 1109 CB ALA A 73 9.592 6.455 -9.119 1.00 0.21 C ATOM 0 H ALA A 73 9.763 3.485 -8.546 1.00 0.22 H new ATOM 0 HA ALA A 73 11.202 5.948 -7.760 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.417 7.432 -8.668 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.250 6.566 -9.981 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.642 6.029 -9.441 1.00 0.21 H new ATOM 1115 N THR A 74 9.659 6.044 -5.775 1.00 0.18 N ATOM 1116 CA THR A 74 8.815 5.949 -4.536 1.00 0.17 C ATOM 1117 C THR A 74 8.189 7.333 -4.263 1.00 0.17 C ATOM 1118 O THR A 74 8.786 8.337 -4.599 1.00 0.19 O ATOM 1119 CB THR A 74 9.703 5.556 -3.332 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.944 6.232 -3.430 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.973 4.037 -3.289 1.00 0.19 C ATOM 0 H THR A 74 10.464 6.665 -5.698 1.00 0.18 H new ATOM 0 HA THR A 74 8.038 5.198 -4.675 1.00 0.17 H new ATOM 0 HB THR A 74 9.173 5.837 -2.422 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.540 5.737 -4.030 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.600 3.803 -2.429 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.027 3.502 -3.205 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.483 3.732 -4.203 1.00 0.19 H new ATOM 1129 N PRO A 75 7.024 7.373 -3.636 1.00 0.17 N ATOM 1130 CA PRO A 75 6.256 6.178 -3.205 1.00 0.16 C ATOM 1131 C PRO A 75 5.573 5.526 -4.424 1.00 0.14 C ATOM 1132 O PRO A 75 5.174 6.204 -5.350 1.00 0.14 O ATOM 1133 CB PRO A 75 5.194 6.739 -2.230 1.00 0.17 C ATOM 1134 CG PRO A 75 5.206 8.287 -2.373 1.00 0.20 C ATOM 1135 CD PRO A 75 6.395 8.660 -3.283 1.00 0.19 C ATOM 0 HA PRO A 75 6.883 5.415 -2.743 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.208 6.339 -2.465 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.421 6.446 -1.205 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.269 8.639 -2.803 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.307 8.761 -1.397 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.059 9.192 -4.173 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.097 9.314 -2.766 1.00 0.19 H new ATOM 1143 N THR A 76 5.425 4.218 -4.421 1.00 0.13 N ATOM 1144 CA THR A 76 4.751 3.521 -5.569 1.00 0.12 C ATOM 1145 C THR A 76 3.475 2.873 -5.043 1.00 0.12 C ATOM 1146 O THR A 76 3.525 1.951 -4.253 1.00 0.18 O ATOM 1147 CB THR A 76 5.668 2.423 -6.149 1.00 0.12 C ATOM 1148 OG1 THR A 76 7.009 2.881 -6.137 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.258 2.107 -7.591 1.00 0.13 C ATOM 0 H THR A 76 5.742 3.603 -3.672 1.00 0.13 H new ATOM 0 HA THR A 76 4.530 4.242 -6.356 1.00 0.12 H new ATOM 0 HB THR A 76 5.576 1.522 -5.543 1.00 0.12 H new ATOM 0 HG1 THR A 76 7.095 3.656 -6.731 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.910 1.331 -7.993 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.226 1.758 -7.608 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.346 3.007 -8.200 1.00 0.13 H new ATOM 1157 N PHE A 77 2.331 3.335 -5.468 1.00 0.09 N ATOM 1158 CA PHE A 77 1.069 2.713 -4.975 1.00 0.09 C ATOM 1159 C PHE A 77 0.695 1.565 -5.894 1.00 0.09 C ATOM 1160 O PHE A 77 0.571 1.723 -7.093 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.065 3.736 -4.948 1.00 0.10 C ATOM 1162 CG PHE A 77 0.210 4.738 -3.861 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.090 4.411 -2.527 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.766 5.992 -4.176 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.164 5.343 -1.503 1.00 0.09 C ATOM 1166 CE2 PHE A 77 1.020 6.924 -3.153 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.720 6.602 -1.816 1.00 0.12 C ATOM 0 H PHE A 77 2.215 4.106 -6.126 1.00 0.09 H new ATOM 0 HA PHE A 77 1.226 2.348 -3.960 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.143 4.238 -5.912 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.018 3.238 -4.770 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.514 3.447 -2.288 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.997 6.239 -5.202 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.067 5.095 -0.478 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.445 7.887 -3.394 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.915 7.317 -1.031 1.00 0.12 H new ATOM 1177 N GLN A 78 0.517 0.408 -5.326 1.00 0.07 N ATOM 1178 CA GLN A 78 0.149 -0.793 -6.120 1.00 0.07 C ATOM 1179 C GLN A 78 -1.163 -1.335 -5.568 1.00 0.06 C ATOM 1180 O GLN A 78 -1.366 -1.386 -4.371 1.00 0.07 O ATOM 1181 CB GLN A 78 1.261 -1.836 -5.973 1.00 0.08 C ATOM 1182 CG GLN A 78 2.615 -1.185 -6.270 1.00 0.12 C ATOM 1183 CD GLN A 78 3.657 -2.270 -6.551 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.356 -3.445 -6.497 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.878 -1.922 -6.852 1.00 1.03 N ATOM 0 H GLN A 78 0.613 0.241 -4.324 1.00 0.07 H new ATOM 0 HA GLN A 78 0.030 -0.550 -7.176 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.257 -2.247 -4.964 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.087 -2.667 -6.657 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.529 -0.519 -7.128 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.930 -0.575 -5.423 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.130 -0.935 -6.897 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.580 -2.637 -7.042 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.069 -1.709 -6.432 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.398 -2.218 -5.972 1.00 0.07 C ATOM 1196 C PHE A 79 -3.506 -3.712 -6.247 1.00 0.07 C ATOM 1197 O PHE A 79 -3.248 -4.178 -7.338 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.502 -1.473 -6.729 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.480 -0.018 -6.319 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.416 0.803 -6.720 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.509 0.511 -5.522 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.376 2.155 -6.332 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.473 1.860 -5.126 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.407 2.683 -5.531 1.00 0.11 C ATOM 0 H PHE A 79 -1.946 -1.684 -7.444 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.504 -2.050 -4.900 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.349 -1.564 -7.804 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.474 -1.913 -6.507 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.623 0.395 -7.330 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.329 -0.120 -5.213 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.558 2.785 -6.647 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.264 2.264 -4.511 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.379 3.719 -5.228 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.896 -4.461 -5.250 1.00 0.07 N ATOM 1215 CA PHE A 80 -4.042 -5.937 -5.407 1.00 0.08 C ATOM 1216 C PHE A 80 -5.424 -6.345 -4.905 1.00 0.11 C ATOM 1217 O PHE A 80 -6.041 -5.654 -4.117 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.971 -6.650 -4.576 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.624 -6.505 -5.244 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.239 -7.401 -6.262 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.747 -5.478 -4.845 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.021 -7.267 -6.877 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.511 -5.346 -5.460 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.896 -6.239 -6.476 1.00 0.14 C ATOM 0 H PHE A 80 -4.123 -4.107 -4.321 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.926 -6.212 -6.455 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.936 -6.228 -3.572 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.223 -7.705 -4.470 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.910 -8.190 -6.570 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -1.041 -4.791 -4.066 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.316 -7.953 -7.657 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.182 -4.558 -5.152 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.862 -6.136 -6.948 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.916 -7.460 -5.355 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.256 -7.922 -4.908 1.00 0.14 C ATOM 1236 C LYS A 81 -7.311 -9.438 -5.071 1.00 0.14 C ATOM 1237 O LYS A 81 -7.098 -9.957 -6.146 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.340 -7.255 -5.771 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.693 -7.290 -5.050 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.702 -6.435 -5.820 1.00 0.60 C ATOM 1241 CE LYS A 81 -12.042 -6.438 -5.083 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.634 -7.805 -5.133 1.00 1.48 N ATOM 0 H LYS A 81 -5.445 -8.076 -6.018 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.429 -7.654 -3.866 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -8.061 -6.223 -5.984 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.418 -7.768 -6.729 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -10.051 -8.317 -4.976 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.585 -6.916 -4.032 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.331 -5.415 -5.917 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.830 -6.825 -6.830 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.900 -6.129 -4.047 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.722 -5.719 -5.540 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.621 -7.744 -5.455 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.090 -8.395 -5.795 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.605 -8.231 -4.185 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.577 -10.151 -4.011 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.632 -11.637 -4.102 1.00 0.20 C ATOM 1258 C LYS A 82 -6.308 -12.173 -4.663 1.00 0.20 C ATOM 1259 O LYS A 82 -6.248 -13.266 -5.189 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.790 -12.059 -5.022 1.00 0.21 C ATOM 1261 CG LYS A 82 -10.121 -11.995 -4.262 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.240 -12.589 -5.125 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.447 -11.739 -6.384 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.791 -12.028 -6.960 1.00 1.67 N ATOM 0 H LYS A 82 -7.759 -9.767 -3.084 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.794 -12.049 -3.106 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.829 -11.405 -5.893 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.621 -13.071 -5.390 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -10.042 -12.545 -3.324 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.355 -10.962 -4.007 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.989 -13.612 -5.405 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.166 -12.634 -4.552 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -11.364 -10.680 -6.139 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.670 -11.959 -7.116 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.934 -11.452 -7.814 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.853 -13.036 -7.207 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.525 -11.797 -6.261 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.246 -11.421 -4.546 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.927 -11.899 -5.063 1.00 0.21 C ATOM 1280 C GLY A 83 -3.741 -11.464 -6.519 1.00 0.19 C ATOM 1281 O GLY A 83 -2.762 -11.810 -7.152 1.00 0.22 O ATOM 0 H GLY A 83 -5.233 -10.497 -4.115 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -3.120 -11.497 -4.450 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.872 -12.985 -4.990 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.671 -10.714 -7.059 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.551 -10.255 -8.486 1.00 0.17 C ATOM 1287 C GLN A 84 -4.306 -8.743 -8.537 1.00 0.16 C ATOM 1288 O GLN A 84 -4.820 -7.991 -7.734 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.851 -10.571 -9.227 1.00 0.19 C ATOM 1290 CG GLN A 84 -6.172 -12.059 -9.083 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.497 -12.368 -9.780 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.583 -13.289 -10.569 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.544 -11.631 -9.522 1.00 2.08 N ATOM 0 H GLN A 84 -5.511 -10.397 -6.575 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.713 -10.771 -8.955 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.667 -9.971 -8.823 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.754 -10.309 -10.281 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.372 -12.658 -9.519 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -6.233 -12.328 -8.028 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.473 -10.858 -8.860 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.433 -11.828 -9.982 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.525 -8.297 -9.489 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.238 -6.836 -9.617 1.00 0.17 C ATOM 1304 C LYS A 85 -4.351 -6.178 -10.437 1.00 0.16 C ATOM 1305 O LYS A 85 -4.829 -6.739 -11.403 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.892 -6.644 -10.323 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.617 -5.146 -10.523 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.118 -4.917 -10.746 1.00 0.30 C ATOM 1309 CE LYS A 85 0.367 -5.784 -11.909 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.730 -5.344 -12.321 1.00 1.70 N ATOM 0 H LYS A 85 -3.071 -8.886 -10.187 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.194 -6.378 -8.629 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -1.094 -7.094 -9.732 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.901 -7.153 -11.287 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.182 -4.774 -11.378 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.954 -4.586 -9.651 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.071 -3.865 -10.960 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.436 -5.163 -9.840 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.386 -6.833 -11.612 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.323 -5.703 -12.749 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.861 -5.524 -13.337 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.838 -4.327 -12.133 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.444 -5.873 -11.781 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.782 -4.998 -10.047 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.886 -4.303 -10.789 1.00 0.16 C ATOM 1326 C VAL A 86 -5.464 -2.881 -11.183 1.00 0.18 C ATOM 1327 O VAL A 86 -6.064 -2.274 -12.048 1.00 0.26 O ATOM 1328 CB VAL A 86 -7.120 -4.233 -9.887 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.728 -5.630 -9.750 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.711 -3.720 -8.504 1.00 0.17 C ATOM 0 H VAL A 86 -4.415 -4.486 -9.245 1.00 0.15 H new ATOM 0 HA VAL A 86 -6.110 -4.862 -11.697 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.854 -3.556 -10.325 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.607 -5.583 -9.108 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -8.017 -5.999 -10.734 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.994 -6.305 -9.310 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.589 -3.670 -7.860 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.979 -4.398 -8.066 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.273 -2.726 -8.599 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.448 -2.334 -10.566 1.00 0.15 N ATOM 1341 CA GLY A 87 -4.026 -0.947 -10.937 1.00 0.18 C ATOM 1342 C GLY A 87 -2.762 -0.545 -10.167 1.00 0.10 C ATOM 1343 O GLY A 87 -2.308 -1.249 -9.287 1.00 0.08 O ATOM 0 H GLY A 87 -3.898 -2.779 -9.831 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.838 -0.892 -12.009 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.831 -0.245 -10.718 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.192 0.588 -10.498 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.958 1.043 -9.792 1.00 0.10 C ATOM 1349 C GLU A 88 -0.572 2.449 -10.256 1.00 0.10 C ATOM 1350 O GLU A 88 -0.820 2.835 -11.382 1.00 0.11 O ATOM 1351 CB GLU A 88 0.188 0.077 -10.098 1.00 0.17 C ATOM 1352 CG GLU A 88 0.201 -0.240 -11.595 1.00 0.25 C ATOM 1353 CD GLU A 88 1.520 -0.921 -11.961 1.00 1.25 C ATOM 1354 OE1 GLU A 88 1.738 -2.029 -11.502 1.00 1.94 O ATOM 1355 OE2 GLU A 88 2.289 -0.322 -12.693 1.00 2.04 O ATOM 0 H GLU A 88 -2.530 1.216 -11.227 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.150 1.062 -8.719 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.139 0.518 -9.800 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.068 -0.841 -9.522 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.638 -0.889 -11.847 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.080 0.676 -12.173 1.00 0.25 H new ATOM 1362 N PHE A 89 0.055 3.211 -9.397 1.00 0.09 N ATOM 1363 CA PHE A 89 0.480 4.586 -9.791 1.00 0.09 C ATOM 1364 C PHE A 89 1.420 5.173 -8.732 1.00 0.09 C ATOM 1365 O PHE A 89 1.155 5.124 -7.554 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.746 5.494 -10.001 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.359 5.931 -8.684 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.716 6.898 -7.880 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.594 5.389 -8.271 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.303 7.311 -6.671 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.180 5.806 -7.061 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.534 6.767 -6.262 1.00 0.11 C ATOM 0 H PHE A 89 0.290 2.941 -8.442 1.00 0.09 H new ATOM 0 HA PHE A 89 1.020 4.527 -10.736 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.452 6.373 -10.574 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.494 4.964 -10.591 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.227 7.320 -8.194 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.091 4.652 -8.885 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.808 8.047 -6.055 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.125 5.388 -6.746 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.984 7.087 -5.334 1.00 0.11 H new ATOM 1382 N SER A 90 2.526 5.738 -9.154 1.00 0.13 N ATOM 1383 CA SER A 90 3.494 6.345 -8.183 1.00 0.14 C ATOM 1384 C SER A 90 3.323 7.864 -8.191 1.00 0.14 C ATOM 1385 O SER A 90 2.308 8.383 -8.612 1.00 0.17 O ATOM 1386 CB SER A 90 4.924 6.003 -8.606 1.00 0.15 C ATOM 1387 OG SER A 90 5.334 6.890 -9.638 1.00 0.16 O ATOM 0 H SER A 90 2.802 5.806 -10.134 1.00 0.13 H new ATOM 0 HA SER A 90 3.304 5.952 -7.184 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.597 6.084 -7.752 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.975 4.972 -8.955 1.00 0.15 H new ATOM 0 HG SER A 90 5.985 7.530 -9.280 1.00 0.16 H new ATOM 1393 N GLY A 91 4.310 8.579 -7.731 1.00 0.12 N ATOM 1394 CA GLY A 91 4.208 10.067 -7.711 1.00 0.13 C ATOM 1395 C GLY A 91 3.367 10.505 -6.513 1.00 0.13 C ATOM 1396 O GLY A 91 2.277 10.014 -6.294 1.00 0.13 O ATOM 0 H GLY A 91 5.184 8.199 -7.367 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.202 10.509 -7.652 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.755 10.423 -8.636 1.00 0.13 H new ATOM 1400 N ALA A 92 3.865 11.423 -5.731 1.00 0.15 N ATOM 1401 CA ALA A 92 3.092 11.884 -4.542 1.00 0.17 C ATOM 1402 C ALA A 92 1.700 12.364 -4.969 1.00 0.15 C ATOM 1403 O ALA A 92 1.512 13.517 -5.306 1.00 0.16 O ATOM 1404 CB ALA A 92 3.845 13.039 -3.857 1.00 0.20 C ATOM 0 H ALA A 92 4.771 11.873 -5.863 1.00 0.15 H new ATOM 0 HA ALA A 92 2.982 11.052 -3.846 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.281 13.377 -2.988 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.829 12.694 -3.539 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.959 13.865 -4.558 1.00 0.20 H new ATOM 1410 N ASN A 93 0.718 11.499 -4.925 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.672 11.911 -5.289 1.00 0.13 C ATOM 1412 C ASN A 93 -1.629 11.277 -4.276 1.00 0.12 C ATOM 1413 O ASN A 93 -2.294 10.296 -4.544 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.010 11.448 -6.711 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.150 12.308 -7.259 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.068 12.649 -6.539 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.130 12.677 -8.506 1.00 1.15 N ATOM 0 H ASN A 93 0.820 10.522 -4.652 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.764 12.997 -5.265 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.133 11.533 -7.353 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.301 10.397 -6.705 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -2.885 13.253 -8.880 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.360 12.391 -9.110 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.659 11.832 -3.102 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.519 11.293 -2.008 1.00 0.20 C ATOM 1426 C LYS A 94 -4.004 11.387 -2.371 1.00 0.18 C ATOM 1427 O LYS A 94 -4.778 10.501 -2.068 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.248 12.096 -0.726 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.083 13.583 -1.076 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.956 14.416 0.204 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.597 14.160 0.868 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.327 15.227 1.874 1.00 1.19 N ATOM 0 H LYS A 94 -1.113 12.655 -2.845 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.277 10.241 -1.857 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.071 11.966 -0.023 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.348 11.725 -0.236 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -1.199 13.722 -1.698 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.939 13.925 -1.658 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -2.061 15.475 -0.031 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -2.760 14.161 0.894 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.594 13.182 1.349 1.00 0.78 H new ATOM 0 HE3 LYS A 94 0.191 14.147 0.115 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 0.696 15.287 2.050 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 -0.670 16.140 1.513 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 -0.818 14.999 2.762 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.417 12.451 -2.995 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.857 12.586 -3.344 1.00 0.20 C ATOM 1448 C GLU A 95 -6.246 11.496 -4.350 1.00 0.17 C ATOM 1449 O GLU A 95 -7.389 11.096 -4.433 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.095 13.970 -3.956 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.182 15.021 -2.845 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.346 16.408 -3.468 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.866 16.600 -4.573 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.949 17.255 -2.829 1.00 1.95 O ATOM 0 H GLU A 95 -3.823 13.231 -3.278 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.467 12.475 -2.448 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.285 14.219 -4.642 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.016 13.966 -4.539 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -7.025 14.803 -2.189 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.283 14.991 -2.230 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.304 11.013 -5.112 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.621 9.950 -6.106 1.00 0.14 C ATOM 1463 C LYS A 96 -5.979 8.658 -5.375 1.00 0.12 C ATOM 1464 O LYS A 96 -6.820 7.906 -5.816 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.413 9.715 -7.016 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.820 8.865 -8.220 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.623 8.700 -9.163 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.104 8.174 -10.518 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.933 7.978 -11.419 1.00 2.05 N ATOM 0 H LYS A 96 -4.328 11.309 -5.089 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.468 10.266 -6.715 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.011 10.670 -7.354 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.620 9.215 -6.459 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.170 7.888 -7.886 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.649 9.337 -8.748 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.115 9.656 -9.292 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.899 8.010 -8.730 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.637 7.232 -10.386 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.806 8.878 -10.965 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -3.226 8.123 -12.406 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -2.189 8.662 -11.175 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.565 7.012 -11.305 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.356 8.388 -4.257 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.695 7.135 -3.524 1.00 0.11 C ATOM 1485 C LEU A 97 -7.201 7.109 -3.267 1.00 0.11 C ATOM 1486 O LEU A 97 -7.831 6.071 -3.301 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.961 7.074 -2.176 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.448 7.279 -2.362 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.816 7.677 -1.022 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -2.789 5.982 -2.856 1.00 0.13 C ATOM 0 H LEU A 97 -4.639 8.971 -3.826 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.389 6.281 -4.128 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.356 7.840 -1.508 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.145 6.110 -1.701 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.291 8.066 -3.100 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.744 7.822 -1.154 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.267 8.604 -0.668 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -2.988 6.888 -0.290 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -1.718 6.143 -2.983 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -2.953 5.190 -2.126 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.228 5.692 -3.811 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.781 8.246 -3.008 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.247 8.287 -2.746 1.00 0.14 C ATOM 1504 C GLU A 98 -10.005 7.891 -4.015 1.00 0.13 C ATOM 1505 O GLU A 98 -10.782 6.956 -4.024 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.651 9.707 -2.340 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.083 9.707 -1.789 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.081 9.233 -0.334 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.075 8.687 0.091 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.085 9.425 0.333 1.00 2.05 O ATOM 0 H GLU A 98 -7.306 9.147 -2.966 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.491 7.591 -1.943 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.962 10.089 -1.586 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.583 10.373 -3.200 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.507 10.709 -1.854 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.714 9.055 -2.392 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.790 8.607 -5.083 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.499 8.296 -6.356 1.00 0.14 C ATOM 1519 C ALA A 99 -10.182 6.869 -6.817 1.00 0.12 C ATOM 1520 O ALA A 99 -11.049 6.159 -7.274 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.057 9.286 -7.435 1.00 0.15 C ATOM 0 H ALA A 99 -9.149 9.399 -5.129 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.573 8.379 -6.188 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.574 9.062 -8.368 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.301 10.301 -7.120 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.981 9.202 -7.587 1.00 0.15 H new ATOM 1527 N THR A 100 -8.948 6.450 -6.716 1.00 0.11 N ATOM 1528 CA THR A 100 -8.585 5.073 -7.172 1.00 0.11 C ATOM 1529 C THR A 100 -9.271 4.028 -6.292 1.00 0.10 C ATOM 1530 O THR A 100 -9.831 3.067 -6.779 1.00 0.11 O ATOM 1531 CB THR A 100 -7.067 4.891 -7.089 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.430 5.956 -7.776 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.673 3.562 -7.735 1.00 0.12 C ATOM 0 H THR A 100 -8.176 7.000 -6.338 1.00 0.11 H new ATOM 0 HA THR A 100 -8.916 4.942 -8.202 1.00 0.11 H new ATOM 0 HB THR A 100 -6.757 4.890 -6.044 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.562 6.791 -7.280 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.592 3.435 -7.675 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.165 2.743 -7.211 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.981 3.560 -8.781 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.234 4.204 -5.002 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.893 3.213 -4.102 1.00 0.11 C ATOM 1543 C ILE A 101 -11.384 3.145 -4.449 1.00 0.13 C ATOM 1544 O ILE A 101 -11.918 2.087 -4.711 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.707 3.654 -2.636 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.245 3.393 -2.209 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.663 2.864 -1.727 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.879 4.234 -0.976 1.00 0.18 C ATOM 0 H ILE A 101 -8.779 4.986 -4.532 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.446 2.228 -4.234 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.931 4.717 -2.545 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.110 2.335 -1.986 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.572 3.634 -3.032 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.526 3.180 -0.693 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.693 3.052 -2.031 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.449 1.799 -1.812 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.845 4.034 -0.693 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.993 5.292 -1.211 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.539 3.973 -0.149 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.056 4.262 -4.453 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.511 4.259 -4.778 1.00 0.17 C ATOM 1562 C ASN A 102 -13.724 3.715 -6.196 1.00 0.18 C ATOM 1563 O ASN A 102 -14.814 3.330 -6.566 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.053 5.691 -4.688 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.579 5.661 -4.575 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.158 6.259 -3.569 1.00 0.81 O flip ATOM 1567 ND2 ASN A 102 -16.250 5.089 -5.410 1.00 1.03 N flip ATOM 0 H ASN A 102 -11.660 5.179 -4.245 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.041 3.623 -4.069 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.625 6.198 -3.823 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.755 6.258 -5.570 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -15.797 4.622 -6.196 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -17.266 5.076 -5.326 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.691 3.688 -6.993 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.834 3.178 -8.386 1.00 0.18 C ATOM 1576 C GLU A 103 -12.919 1.649 -8.382 1.00 0.19 C ATOM 1577 O GLU A 103 -13.880 1.066 -8.843 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.613 3.610 -9.211 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.943 3.541 -10.705 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.886 4.689 -11.077 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -12.870 5.692 -10.382 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.609 4.545 -12.049 1.00 2.02 O ATOM 0 H GLU A 103 -11.753 3.998 -6.739 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.745 3.587 -8.822 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.321 4.625 -8.941 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.764 2.964 -8.987 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.027 3.604 -11.293 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.408 2.584 -10.941 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.900 0.999 -7.888 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.881 -0.494 -7.874 1.00 0.19 C ATOM 1591 C LEU A 104 -12.438 -1.023 -6.549 1.00 0.19 C ATOM 1592 O LEU A 104 -12.190 -2.151 -6.171 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.433 -0.971 -8.051 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.832 -0.370 -9.336 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.307 -0.476 -9.289 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.346 -1.126 -10.568 1.00 0.35 C ATOM 0 H LEU A 104 -11.072 1.442 -7.490 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.503 -0.871 -8.686 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.836 -0.675 -7.188 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.404 -2.059 -8.101 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.131 0.676 -9.404 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.884 -0.050 -10.199 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.931 0.070 -8.424 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.017 -1.524 -9.210 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.913 -0.691 -11.469 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.058 -2.175 -10.498 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.432 -1.050 -10.614 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.198 -0.229 -5.841 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.769 -0.713 -4.550 1.00 0.22 C ATOM 1610 C VAL A 105 -14.743 -1.860 -4.828 1.00 0.26 C ATOM 1611 O VAL A 105 -14.880 -2.716 -3.969 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.513 0.426 -3.849 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.675 0.894 -4.723 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.056 -0.070 -2.506 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.338 -1.861 -5.894 1.00 1.18 O ATOM 0 H VAL A 105 -13.446 0.726 -6.098 1.00 0.20 H new ATOM 0 HA VAL A 105 -12.961 -1.061 -3.907 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.827 1.256 -3.682 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.203 1.705 -4.222 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.291 1.248 -5.680 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.361 0.064 -4.892 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.586 0.741 -2.006 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.741 -0.901 -2.675 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.228 -0.403 -1.880 1.00 0.27 H new ATOM 1692 N ARG B 4 18.217 2.924 -1.974 1.00 0.00 N ATOM 1693 CA ARG B 4 17.988 2.233 -3.280 1.00 0.00 C ATOM 1694 C ARG B 4 17.875 3.276 -4.406 1.00 0.00 C ATOM 1695 O ARG B 4 18.827 3.509 -5.126 1.00 0.00 O ATOM 1696 CB ARG B 4 16.710 1.378 -3.195 1.00 0.00 C ATOM 1697 CG ARG B 4 16.785 0.205 -4.196 1.00 0.00 C ATOM 1698 CD ARG B 4 17.526 -0.989 -3.585 1.00 0.00 C ATOM 1699 NE ARG B 4 17.374 -2.160 -4.495 1.00 0.00 N ATOM 1700 CZ ARG B 4 18.157 -3.195 -4.370 1.00 0.00 C ATOM 1701 NH1 ARG B 4 19.085 -3.206 -3.455 1.00 0.00 N ATOM 1702 NH2 ARG B 4 18.012 -4.220 -5.168 1.00 0.00 N ATOM 0 HA ARG B 4 18.830 1.577 -3.501 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.587 0.994 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.837 1.994 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.778 -0.096 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG B 4 17.294 0.528 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.581 -0.750 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.122 -1.221 -2.600 1.00 0.00 H new ATOM 0 HE ARG B 4 16.655 -2.151 -5.218 1.00 0.00 H new ATOM 0 HH11 ARG B 4 19.200 -2.404 -2.835 1.00 0.00 H new ATOM 0 HH12 ARG B 4 19.697 -4.017 -3.359 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.288 -4.209 -5.886 1.00 0.00 H new ATOM 0 HH22 ARG B 4 18.623 -5.031 -5.073 1.00 0.00 H new ATOM 1716 N TYR B 5 16.729 3.911 -4.567 1.00 0.00 N ATOM 1717 CA TYR B 5 16.573 4.946 -5.654 1.00 0.00 C ATOM 1718 C TYR B 5 16.005 6.254 -5.076 1.00 0.00 C ATOM 1719 O TYR B 5 16.004 6.470 -3.881 1.00 0.00 O ATOM 1720 CB TYR B 5 15.657 4.418 -6.772 1.00 0.00 C ATOM 1721 CG TYR B 5 14.479 3.682 -6.196 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.626 2.368 -5.724 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.223 4.307 -6.153 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.515 1.679 -5.200 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.118 3.623 -5.638 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.259 2.309 -5.157 1.00 0.00 C ATOM 1727 OH TYR B 5 11.165 1.640 -4.647 1.00 0.00 O ATOM 0 H TYR B 5 15.898 3.758 -3.995 1.00 0.00 H new ATOM 0 HA TYR B 5 17.557 5.150 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.308 5.249 -7.385 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.221 3.754 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.591 1.885 -5.763 1.00 0.00 H new ATOM 0 HD2 TYR B 5 13.110 5.317 -6.518 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.628 0.670 -4.832 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.152 4.106 -5.609 1.00 0.00 H new ATOM 0 HH TYR B 5 11.431 0.737 -4.376 1.00 0.00 H new ATOM 1737 N VAL B 6 15.570 7.147 -5.931 1.00 0.00 N ATOM 1738 CA VAL B 6 15.057 8.471 -5.463 1.00 0.00 C ATOM 1739 C VAL B 6 13.611 8.398 -4.961 1.00 0.00 C ATOM 1740 O VAL B 6 12.812 7.597 -5.410 1.00 0.00 O ATOM 1741 CB VAL B 6 15.106 9.465 -6.632 1.00 0.00 C ATOM 1742 CG1 VAL B 6 15.085 10.898 -6.098 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.380 9.238 -7.435 1.00 0.00 C ATOM 0 H VAL B 6 15.549 7.013 -6.942 1.00 0.00 H new ATOM 0 HA VAL B 6 15.689 8.788 -4.633 1.00 0.00 H new ATOM 0 HB VAL B 6 14.238 9.311 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.120 11.598 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.171 11.060 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.949 11.059 -5.453 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.417 9.943 -8.266 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.247 9.389 -6.792 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.389 8.219 -7.823 1.00 0.00 H new ATOM 1753 N CYS B 7 13.271 9.285 -4.056 1.00 0.00 N ATOM 1754 CA CYS B 7 11.876 9.354 -3.530 1.00 0.00 C ATOM 1755 C CYS B 7 11.161 10.516 -4.217 1.00 0.00 C ATOM 1756 O CYS B 7 11.267 11.653 -3.802 1.00 0.00 O ATOM 1757 CB CYS B 7 11.893 9.584 -2.013 1.00 0.00 C ATOM 1758 SG CYS B 7 13.208 8.598 -1.256 1.00 0.00 S ATOM 0 H CYS B 7 13.911 9.971 -3.656 1.00 0.00 H new ATOM 0 HA CYS B 7 11.358 8.417 -3.732 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.050 10.641 -1.798 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.929 9.311 -1.584 1.00 0.00 H new ATOM 1763 N GLU B 8 10.442 10.247 -5.272 1.00 0.00 N ATOM 1764 CA GLU B 8 9.736 11.349 -5.982 1.00 0.00 C ATOM 1765 C GLU B 8 8.410 11.646 -5.286 1.00 0.00 C ATOM 1766 O GLU B 8 7.381 11.818 -5.916 1.00 0.00 O ATOM 1767 CB GLU B 8 9.476 10.951 -7.438 1.00 0.00 C ATOM 1768 CG GLU B 8 8.975 9.504 -7.499 1.00 0.00 C ATOM 1769 CD GLU B 8 8.306 9.254 -8.853 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.984 9.384 -9.860 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.127 8.939 -8.860 1.00 0.00 O ATOM 0 H GLU B 8 10.314 9.317 -5.671 1.00 0.00 H new ATOM 0 HA GLU B 8 10.361 12.242 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.738 11.620 -7.881 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.391 11.054 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.807 8.813 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.267 9.318 -6.691 1.00 0.00 H new ATOM 1778 N GLY B 9 8.433 11.742 -3.988 1.00 0.00 N ATOM 1779 CA GLY B 9 7.185 12.070 -3.252 1.00 0.00 C ATOM 1780 C GLY B 9 6.858 13.545 -3.555 1.00 0.00 C ATOM 1781 O GLY B 9 6.912 13.930 -4.707 1.00 0.00 O ATOM 0 H GLY B 9 9.260 11.608 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.369 11.421 -3.569 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.317 11.916 -2.181 1.00 0.00 H new ATOM 1785 N PRO B 10 6.557 14.359 -2.556 1.00 0.00 N ATOM 1786 CA PRO B 10 6.275 15.783 -2.814 1.00 0.00 C ATOM 1787 C PRO B 10 7.566 16.476 -3.285 1.00 0.00 C ATOM 1788 O PRO B 10 7.730 17.673 -3.148 1.00 0.00 O ATOM 1789 CB PRO B 10 5.793 16.350 -1.457 1.00 0.00 C ATOM 1790 CG PRO B 10 5.910 15.207 -0.407 1.00 0.00 C ATOM 1791 CD PRO B 10 6.455 13.958 -1.136 1.00 0.00 C ATOM 0 HA PRO B 10 5.526 15.938 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.400 17.206 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.763 16.699 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.577 15.499 0.404 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.938 14.996 0.040 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.426 13.661 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.786 13.106 -1.013 1.00 0.00 H new ATOM 1799 N SER B 11 8.478 15.720 -3.835 1.00 0.00 N ATOM 1800 CA SER B 11 9.762 16.301 -4.317 1.00 0.00 C ATOM 1801 C SER B 11 9.569 16.877 -5.722 1.00 0.00 C ATOM 1802 O SER B 11 10.216 17.831 -6.106 1.00 0.00 O ATOM 1803 CB SER B 11 10.825 15.197 -4.359 1.00 0.00 C ATOM 1804 OG SER B 11 12.004 15.703 -4.970 1.00 0.00 O ATOM 0 H SER B 11 8.386 14.713 -3.972 1.00 0.00 H new ATOM 0 HA SER B 11 10.081 17.096 -3.643 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.045 14.850 -3.350 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.452 14.338 -4.917 1.00 0.00 H new ATOM 0 HG SER B 11 12.686 15.000 -4.997 1.00 0.00 H new