USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.275) USER MOD Set 1.2: A 77 TYR OH : rot 0:sc= -0.206 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0764 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.343 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.11 K(o=-2.1,f=-5.8!) USER MOD Single : A 17 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.63) USER MOD Single : A 18 GLN : amide:sc=-0.00104 X(o=-0.001,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00142 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -176:sc= -0.557 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -155:sc=-0.00547 (180deg=-0.467) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 61 ASN :FLIP amide:sc= 0.148 F(o=-1.5!,f=0.15) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 79:sc= 0.825 USER MOD Single : A 78 THR OG1 : rot -76:sc= 0.0523 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 35:sc= 0.375 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 3:sc= 0.773 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.24! C(o=-2.2!,f=-3.3!) USER MOD Single : A 104 GLN : amide:sc= -1.36 K(o=-1.4,f=-3) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.548 39.694 12.100 1.00 0.00 N ATOM 2 CA GLY A 1 4.025 40.712 11.207 1.00 0.00 C ATOM 3 C GLY A 1 3.595 40.145 9.869 1.00 0.00 C ATOM 4 O GLY A 1 3.652 38.934 9.653 1.00 0.00 O ATOM 0 H1 GLY A 1 3.895 39.565 12.899 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.645 38.796 11.584 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.479 39.991 12.457 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.175 41.203 11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.786 41.476 11.047 1.00 0.00 H new ATOM 8 N SER A 2 3.161 41.021 8.968 1.00 0.00 N ATOM 9 CA SER A 2 2.714 40.600 7.646 1.00 0.00 C ATOM 10 C SER A 2 2.796 41.754 6.652 1.00 0.00 C ATOM 11 O SER A 2 2.946 42.913 7.040 1.00 0.00 O ATOM 12 CB SER A 2 1.280 40.070 7.713 1.00 0.00 C ATOM 13 OG SER A 2 0.358 41.123 7.936 1.00 0.00 O ATOM 0 H SER A 2 3.110 42.027 9.130 1.00 0.00 H new ATOM 0 HA SER A 2 3.373 39.802 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.034 39.558 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.198 39.334 8.513 1.00 0.00 H new ATOM 0 HG SER A 2 -0.551 40.759 7.973 1.00 0.00 H new ATOM 19 N SER A 3 2.695 41.429 5.367 1.00 0.00 N ATOM 20 CA SER A 3 2.761 42.437 4.316 1.00 0.00 C ATOM 21 C SER A 3 2.184 41.899 3.010 1.00 0.00 C ATOM 22 O SER A 3 2.712 40.952 2.428 1.00 0.00 O ATOM 23 CB SER A 3 4.208 42.886 4.100 1.00 0.00 C ATOM 24 OG SER A 3 5.056 41.776 3.862 1.00 0.00 O ATOM 0 H SER A 3 2.567 40.475 5.029 1.00 0.00 H new ATOM 0 HA SER A 3 2.165 43.294 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.257 43.573 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.557 43.433 4.976 1.00 0.00 H new ATOM 0 HG SER A 3 4.579 41.110 3.324 1.00 0.00 H new ATOM 30 N GLY A 4 1.095 42.511 2.554 1.00 0.00 N ATOM 31 CA GLY A 4 0.464 42.081 1.321 1.00 0.00 C ATOM 32 C GLY A 4 -0.992 41.707 1.515 1.00 0.00 C ATOM 33 O GLY A 4 -1.745 42.432 2.165 1.00 0.00 O ATOM 0 H GLY A 4 0.639 43.297 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.536 42.879 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.005 41.225 0.919 1.00 0.00 H new ATOM 37 N SER A 5 -1.391 40.572 0.949 1.00 0.00 N ATOM 38 CA SER A 5 -2.768 40.105 1.059 1.00 0.00 C ATOM 39 C SER A 5 -2.820 38.585 1.167 1.00 0.00 C ATOM 40 O SER A 5 -2.080 37.877 0.483 1.00 0.00 O ATOM 41 CB SER A 5 -3.584 40.570 -0.149 1.00 0.00 C ATOM 42 OG SER A 5 -2.949 40.209 -1.363 1.00 0.00 O ATOM 0 H SER A 5 -0.780 39.959 0.410 1.00 0.00 H new ATOM 0 HA SER A 5 -3.198 40.531 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.580 40.129 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.713 41.652 -0.110 1.00 0.00 H new ATOM 0 HG SER A 5 -3.491 40.516 -2.120 1.00 0.00 H new ATOM 48 N SER A 6 -3.699 38.088 2.031 1.00 0.00 N ATOM 49 CA SER A 6 -3.846 36.652 2.232 1.00 0.00 C ATOM 50 C SER A 6 -5.204 36.169 1.732 1.00 0.00 C ATOM 51 O SER A 6 -5.287 35.362 0.808 1.00 0.00 O ATOM 52 CB SER A 6 -3.681 36.303 3.713 1.00 0.00 C ATOM 53 OG SER A 6 -2.473 36.832 4.230 1.00 0.00 O ATOM 0 H SER A 6 -4.321 38.659 2.603 1.00 0.00 H new ATOM 0 HA SER A 6 -3.068 36.149 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.525 36.696 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.690 35.220 3.838 1.00 0.00 H new ATOM 0 HG SER A 6 -2.392 36.597 5.178 1.00 0.00 H new ATOM 59 N GLY A 7 -6.269 36.670 2.352 1.00 0.00 N ATOM 60 CA GLY A 7 -7.609 36.279 1.958 1.00 0.00 C ATOM 61 C GLY A 7 -8.034 34.962 2.575 1.00 0.00 C ATOM 62 O GLY A 7 -7.315 34.367 3.378 1.00 0.00 O ATOM 0 H GLY A 7 -6.227 37.340 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.313 37.058 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.656 36.200 0.872 1.00 0.00 H new ATOM 66 N PRO A 8 -9.231 34.486 2.199 1.00 0.00 N ATOM 67 CA PRO A 8 -9.778 33.226 2.710 1.00 0.00 C ATOM 68 C PRO A 8 -9.021 32.011 2.186 1.00 0.00 C ATOM 69 O PRO A 8 -8.203 32.106 1.271 1.00 0.00 O ATOM 70 CB PRO A 8 -11.217 33.226 2.187 1.00 0.00 C ATOM 71 CG PRO A 8 -11.178 34.088 0.973 1.00 0.00 C ATOM 72 CD PRO A 8 -10.141 35.142 1.246 1.00 0.00 C ATOM 0 HA PRO A 8 -9.704 33.160 3.796 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -11.551 32.217 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -11.909 33.621 2.931 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.919 33.505 0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.152 34.539 0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.622 35.441 0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.585 36.043 1.670 1.00 0.00 H new ATOM 80 N PRO A 9 -9.298 30.839 2.778 1.00 0.00 N ATOM 81 CA PRO A 9 -8.654 29.582 2.386 1.00 0.00 C ATOM 82 C PRO A 9 -9.105 29.105 1.010 1.00 0.00 C ATOM 83 O PRO A 9 -10.300 29.059 0.718 1.00 0.00 O ATOM 84 CB PRO A 9 -9.108 28.599 3.468 1.00 0.00 C ATOM 85 CG PRO A 9 -10.393 29.157 3.973 1.00 0.00 C ATOM 86 CD PRO A 9 -10.262 30.652 3.876 1.00 0.00 C ATOM 0 HA PRO A 9 -7.571 29.684 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.245 27.597 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.370 28.520 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.234 28.800 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.575 28.847 5.002 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.219 31.126 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.899 31.085 4.808 1.00 0.00 H new ATOM 94 N VAL A 10 -8.140 28.749 0.167 1.00 0.00 N ATOM 95 CA VAL A 10 -8.438 28.273 -1.179 1.00 0.00 C ATOM 96 C VAL A 10 -7.502 27.139 -1.580 1.00 0.00 C ATOM 97 O VAL A 10 -6.288 27.324 -1.667 1.00 0.00 O ATOM 98 CB VAL A 10 -8.325 29.409 -2.213 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.879 29.862 -2.353 1.00 0.00 C ATOM 100 CG2 VAL A 10 -8.884 28.963 -3.556 1.00 0.00 C ATOM 0 H VAL A 10 -7.146 28.781 0.392 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.464 27.905 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.914 30.256 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.819 30.665 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.516 30.223 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.265 29.023 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.796 29.777 -4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.323 28.100 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.933 28.692 -3.441 1.00 0.00 H new ATOM 110 N ILE A 11 -8.075 25.965 -1.824 1.00 0.00 N ATOM 111 CA ILE A 11 -7.291 24.801 -2.219 1.00 0.00 C ATOM 112 C ILE A 11 -6.741 24.962 -3.632 1.00 0.00 C ATOM 113 O ILE A 11 -7.494 24.967 -4.605 1.00 0.00 O ATOM 114 CB ILE A 11 -8.128 23.510 -2.149 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.605 23.262 -0.717 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.317 22.326 -2.656 1.00 0.00 C ATOM 117 CD1 ILE A 11 -9.925 22.526 -0.639 1.00 0.00 C ATOM 0 H ILE A 11 -9.078 25.795 -1.755 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.461 24.725 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.004 23.627 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.846 22.689 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.701 24.219 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.921 21.421 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.022 22.503 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.426 22.205 -2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.202 22.385 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.696 23.108 -1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.829 21.554 -1.123 1.00 0.00 H new ATOM 129 N ARG A 12 -5.422 25.090 -3.736 1.00 0.00 N ATOM 130 CA ARG A 12 -4.770 25.250 -5.030 1.00 0.00 C ATOM 131 C ARG A 12 -4.689 23.916 -5.767 1.00 0.00 C ATOM 132 O ARG A 12 -5.205 23.777 -6.875 1.00 0.00 O ATOM 133 CB ARG A 12 -3.366 25.831 -4.849 1.00 0.00 C ATOM 134 CG ARG A 12 -3.337 27.110 -4.028 1.00 0.00 C ATOM 135 CD ARG A 12 -3.610 28.332 -4.890 1.00 0.00 C ATOM 136 NE ARG A 12 -2.592 28.513 -5.922 1.00 0.00 N ATOM 137 CZ ARG A 12 -2.454 29.628 -6.631 1.00 0.00 C ATOM 138 NH1 ARG A 12 -3.264 30.656 -6.420 1.00 0.00 N ATOM 139 NH2 ARG A 12 -1.503 29.716 -7.552 1.00 0.00 N ATOM 0 H ARG A 12 -4.784 25.086 -2.940 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.367 25.939 -5.627 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.733 25.086 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.935 26.029 -5.830 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.081 27.050 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.364 27.213 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.589 28.233 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.648 29.220 -4.259 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.952 27.741 -6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.995 30.592 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.156 31.511 -6.966 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.877 28.927 -7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.398 30.572 -8.096 1.00 0.00 H new ATOM 153 N GLN A 13 -4.039 22.940 -5.142 1.00 0.00 N ATOM 154 CA GLN A 13 -3.890 21.618 -5.740 1.00 0.00 C ATOM 155 C GLN A 13 -4.723 20.584 -4.989 1.00 0.00 C ATOM 156 O GLN A 13 -5.342 19.712 -5.595 1.00 0.00 O ATOM 157 CB GLN A 13 -2.419 21.200 -5.744 1.00 0.00 C ATOM 158 CG GLN A 13 -2.130 19.998 -6.629 1.00 0.00 C ATOM 159 CD GLN A 13 -2.352 18.680 -5.913 1.00 0.00 C ATOM 160 OE1 GLN A 13 -3.310 17.960 -6.196 1.00 0.00 O ATOM 161 NE2 GLN A 13 -1.464 18.356 -4.980 1.00 0.00 N ATOM 0 H GLN A 13 -3.608 23.039 -4.223 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.248 21.669 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.812 22.041 -6.078 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.112 20.971 -4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.768 20.040 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.099 20.048 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.685 18.983 -4.778 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.561 17.480 -4.466 1.00 0.00 H new ATOM 170 N GLY A 14 -4.732 20.689 -3.663 1.00 0.00 N ATOM 171 CA GLY A 14 -5.492 19.756 -2.851 1.00 0.00 C ATOM 172 C GLY A 14 -5.080 18.316 -3.084 1.00 0.00 C ATOM 173 O GLY A 14 -4.177 18.025 -3.868 1.00 0.00 O ATOM 0 H GLY A 14 -4.227 21.403 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.358 20.003 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.553 19.867 -3.072 1.00 0.00 H new ATOM 177 N PRO A 15 -5.752 17.385 -2.390 1.00 0.00 N ATOM 178 CA PRO A 15 -5.468 15.952 -2.507 1.00 0.00 C ATOM 179 C PRO A 15 -5.887 15.387 -3.860 1.00 0.00 C ATOM 180 O PRO A 15 -6.599 16.040 -4.623 1.00 0.00 O ATOM 181 CB PRO A 15 -6.304 15.331 -1.386 1.00 0.00 C ATOM 182 CG PRO A 15 -7.416 16.298 -1.163 1.00 0.00 C ATOM 183 CD PRO A 15 -6.841 17.660 -1.437 1.00 0.00 C ATOM 0 HA PRO A 15 -4.402 15.740 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.684 14.350 -1.672 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.712 15.192 -0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.255 16.088 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.792 16.231 -0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.586 18.333 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.469 18.130 -0.526 1.00 0.00 H new ATOM 191 N VAL A 16 -5.442 14.169 -4.151 1.00 0.00 N ATOM 192 CA VAL A 16 -5.773 13.515 -5.411 1.00 0.00 C ATOM 193 C VAL A 16 -6.129 12.048 -5.193 1.00 0.00 C ATOM 194 O VAL A 16 -5.761 11.454 -4.180 1.00 0.00 O ATOM 195 CB VAL A 16 -4.606 13.605 -6.413 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.372 15.048 -6.832 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.344 13.002 -5.816 1.00 0.00 C ATOM 0 H VAL A 16 -4.851 13.615 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.637 14.038 -5.822 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.868 13.032 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.544 15.092 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.273 15.441 -7.303 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.131 15.647 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.530 13.074 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.075 13.545 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.521 11.954 -5.572 1.00 0.00 H new ATOM 207 N ASN A 17 -6.846 11.470 -6.151 1.00 0.00 N ATOM 208 CA ASN A 17 -7.253 10.072 -6.063 1.00 0.00 C ATOM 209 C ASN A 17 -6.280 9.175 -6.822 1.00 0.00 C ATOM 210 O ASN A 17 -5.935 9.449 -7.971 1.00 0.00 O ATOM 211 CB ASN A 17 -8.667 9.895 -6.619 1.00 0.00 C ATOM 212 CG ASN A 17 -8.912 10.737 -7.857 1.00 0.00 C ATOM 213 OD1 ASN A 17 -9.291 11.904 -7.762 1.00 0.00 O ATOM 214 ND2 ASN A 17 -8.696 10.145 -9.026 1.00 0.00 N ATOM 0 H ASN A 17 -7.157 11.948 -6.997 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.244 9.782 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.831 8.845 -6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.393 10.163 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.844 10.660 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.382 9.175 -9.056 1.00 0.00 H new ATOM 221 N GLN A 18 -5.842 8.102 -6.170 1.00 0.00 N ATOM 222 CA GLN A 18 -4.909 7.164 -6.783 1.00 0.00 C ATOM 223 C GLN A 18 -5.158 5.745 -6.286 1.00 0.00 C ATOM 224 O GLN A 18 -5.613 5.540 -5.159 1.00 0.00 O ATOM 225 CB GLN A 18 -3.467 7.577 -6.483 1.00 0.00 C ATOM 226 CG GLN A 18 -3.116 7.530 -5.005 1.00 0.00 C ATOM 227 CD GLN A 18 -2.049 8.538 -4.626 1.00 0.00 C ATOM 228 OE1 GLN A 18 -0.972 8.573 -5.221 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.343 9.367 -3.631 1.00 0.00 N ATOM 0 H GLN A 18 -6.118 7.861 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.068 7.184 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.789 6.922 -7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.303 8.588 -6.855 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.014 7.718 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.771 6.528 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.248 9.304 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.664 10.067 -3.333 1.00 0.00 H new ATOM 238 N THR A 19 -4.858 4.765 -7.133 1.00 0.00 N ATOM 239 CA THR A 19 -5.051 3.364 -6.780 1.00 0.00 C ATOM 240 C THR A 19 -3.761 2.747 -6.252 1.00 0.00 C ATOM 241 O THR A 19 -2.704 2.869 -6.871 1.00 0.00 O ATOM 242 CB THR A 19 -5.543 2.543 -7.987 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.623 3.223 -8.635 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.998 1.158 -7.551 1.00 0.00 C ATOM 0 H THR A 19 -4.480 4.916 -8.068 1.00 0.00 H new ATOM 0 HA THR A 19 -5.810 3.337 -5.998 1.00 0.00 H new ATOM 0 HB THR A 19 -4.713 2.432 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.929 2.695 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.341 0.597 -8.420 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.165 0.631 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.814 1.252 -6.835 1.00 0.00 H new ATOM 252 N VAL A 20 -3.854 2.084 -5.103 1.00 0.00 N ATOM 253 CA VAL A 20 -2.694 1.446 -4.493 1.00 0.00 C ATOM 254 C VAL A 20 -2.958 -0.030 -4.220 1.00 0.00 C ATOM 255 O VAL A 20 -4.107 -0.453 -4.099 1.00 0.00 O ATOM 256 CB VAL A 20 -2.302 2.139 -3.174 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.367 1.254 -2.364 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.664 3.491 -3.451 1.00 0.00 C ATOM 0 H VAL A 20 -4.721 1.975 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.872 1.539 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.206 2.304 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.101 1.760 -1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.866 0.312 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.464 1.055 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.394 3.966 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.769 3.353 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.371 4.124 -3.986 1.00 0.00 H new ATOM 268 N ALA A 21 -1.886 -0.810 -4.125 1.00 0.00 N ATOM 269 CA ALA A 21 -2.002 -2.239 -3.864 1.00 0.00 C ATOM 270 C ALA A 21 -2.017 -2.524 -2.366 1.00 0.00 C ATOM 271 O ALA A 21 -1.439 -1.778 -1.576 1.00 0.00 O ATOM 272 CB ALA A 21 -0.862 -2.992 -4.535 1.00 0.00 C ATOM 0 H ALA A 21 -0.927 -0.476 -4.225 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.947 -2.584 -4.282 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.961 -4.058 -4.332 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.898 -2.823 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.090 -2.635 -4.143 1.00 0.00 H new ATOM 278 N VAL A 22 -2.683 -3.609 -1.982 1.00 0.00 N ATOM 279 CA VAL A 22 -2.773 -3.993 -0.578 1.00 0.00 C ATOM 280 C VAL A 22 -1.436 -3.806 0.130 1.00 0.00 C ATOM 281 O VAL A 22 -0.376 -3.897 -0.489 1.00 0.00 O ATOM 282 CB VAL A 22 -3.222 -5.458 -0.425 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.904 -5.971 0.971 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.707 -5.594 -0.726 1.00 0.00 C ATOM 0 H VAL A 22 -3.168 -4.237 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.518 -3.343 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.672 -6.065 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.228 -7.008 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.830 -5.911 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.426 -5.363 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.007 -6.636 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.277 -4.975 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.902 -5.269 -1.748 1.00 0.00 H new ATOM 294 N ASP A 23 -1.494 -3.544 1.431 1.00 0.00 N ATOM 295 CA ASP A 23 -0.287 -3.346 2.225 1.00 0.00 C ATOM 296 C ASP A 23 0.709 -2.458 1.487 1.00 0.00 C ATOM 297 O ASP A 23 1.919 -2.568 1.683 1.00 0.00 O ATOM 298 CB ASP A 23 0.359 -4.692 2.556 1.00 0.00 C ATOM 299 CG ASP A 23 1.203 -4.636 3.814 1.00 0.00 C ATOM 300 OD1 ASP A 23 0.648 -4.852 4.911 1.00 0.00 O ATOM 301 OD2 ASP A 23 2.420 -4.375 3.701 1.00 0.00 O ATOM 0 H ASP A 23 -2.364 -3.464 1.958 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.570 -2.850 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.420 -5.445 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.981 -5.009 1.719 1.00 0.00 H new ATOM 306 N GLY A 24 0.192 -1.577 0.636 1.00 0.00 N ATOM 307 CA GLY A 24 1.050 -0.683 -0.120 1.00 0.00 C ATOM 308 C GLY A 24 1.363 0.594 0.633 1.00 0.00 C ATOM 309 O GLY A 24 1.539 0.579 1.852 1.00 0.00 O ATOM 0 H GLY A 24 -0.806 -1.466 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.981 -1.196 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.568 -0.435 -1.065 1.00 0.00 H new ATOM 313 N THR A 25 1.436 1.705 -0.094 1.00 0.00 N ATOM 314 CA THR A 25 1.733 2.997 0.512 1.00 0.00 C ATOM 315 C THR A 25 1.041 4.129 -0.239 1.00 0.00 C ATOM 316 O THR A 25 1.299 4.351 -1.422 1.00 0.00 O ATOM 317 CB THR A 25 3.249 3.268 0.542 1.00 0.00 C ATOM 318 OG1 THR A 25 3.922 2.211 1.237 1.00 0.00 O ATOM 319 CG2 THR A 25 3.548 4.597 1.219 1.00 0.00 C ATOM 0 H THR A 25 1.293 1.736 -1.104 1.00 0.00 H new ATOM 0 HA THR A 25 1.357 2.960 1.535 1.00 0.00 H new ATOM 0 HB THR A 25 3.608 3.313 -0.486 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.885 2.390 1.250 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.625 4.767 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.059 5.402 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.175 4.576 2.243 1.00 0.00 H new ATOM 327 N PHE A 26 0.162 4.843 0.456 1.00 0.00 N ATOM 328 CA PHE A 26 -0.568 5.953 -0.146 1.00 0.00 C ATOM 329 C PHE A 26 -0.564 7.169 0.775 1.00 0.00 C ATOM 330 O PHE A 26 -0.822 7.056 1.973 1.00 0.00 O ATOM 331 CB PHE A 26 -2.008 5.537 -0.454 1.00 0.00 C ATOM 332 CG PHE A 26 -2.879 5.444 0.766 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.917 4.281 1.519 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.659 6.519 1.160 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.718 4.193 2.642 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.462 6.436 2.282 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.491 5.272 3.025 1.00 0.00 C ATOM 0 H PHE A 26 -0.062 4.673 1.436 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.068 6.222 -1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.445 6.255 -1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.999 4.571 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.314 3.434 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.639 7.432 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.740 3.281 3.220 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.066 7.281 2.578 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.116 5.206 3.903 1.00 0.00 H new ATOM 347 N VAL A 27 -0.268 8.334 0.206 1.00 0.00 N ATOM 348 CA VAL A 27 -0.231 9.572 0.974 1.00 0.00 C ATOM 349 C VAL A 27 -1.093 10.649 0.324 1.00 0.00 C ATOM 350 O VAL A 27 -1.098 10.801 -0.898 1.00 0.00 O ATOM 351 CB VAL A 27 1.209 10.100 1.117 1.00 0.00 C ATOM 352 CG1 VAL A 27 1.852 10.277 -0.250 1.00 0.00 C ATOM 353 CG2 VAL A 27 1.222 11.408 1.894 1.00 0.00 C ATOM 0 H VAL A 27 -0.050 8.445 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.627 9.343 1.963 1.00 0.00 H new ATOM 0 HB VAL A 27 1.792 9.367 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.869 10.651 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.877 9.318 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.271 10.990 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.247 11.767 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.624 12.151 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.805 11.245 2.888 1.00 0.00 H new ATOM 363 N LEU A 28 -1.820 11.394 1.149 1.00 0.00 N ATOM 364 CA LEU A 28 -2.687 12.458 0.655 1.00 0.00 C ATOM 365 C LEU A 28 -2.167 13.827 1.082 1.00 0.00 C ATOM 366 O LEU A 28 -1.899 14.060 2.261 1.00 0.00 O ATOM 367 CB LEU A 28 -4.114 12.259 1.167 1.00 0.00 C ATOM 368 CG LEU A 28 -4.782 10.935 0.797 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.819 10.550 1.840 1.00 0.00 C ATOM 370 CD2 LEU A 28 -5.419 11.026 -0.582 1.00 0.00 C ATOM 0 H LEU A 28 -1.826 11.281 2.163 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.689 12.415 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.104 12.347 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.732 13.073 0.787 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.017 10.159 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.284 9.605 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.336 10.443 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.582 11.326 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.890 10.074 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.172 11.814 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.652 11.254 -1.323 1.00 0.00 H new ATOM 382 N SER A 29 -2.028 14.730 0.117 1.00 0.00 N ATOM 383 CA SER A 29 -1.538 16.075 0.393 1.00 0.00 C ATOM 384 C SER A 29 -2.563 17.123 -0.031 1.00 0.00 C ATOM 385 O SER A 29 -3.140 17.041 -1.115 1.00 0.00 O ATOM 386 CB SER A 29 -0.214 16.318 -0.333 1.00 0.00 C ATOM 387 OG SER A 29 -0.353 16.120 -1.729 1.00 0.00 O ATOM 0 H SER A 29 -2.248 14.554 -0.863 1.00 0.00 H new ATOM 0 HA SER A 29 -1.376 16.163 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.129 17.334 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.548 15.644 0.059 1.00 0.00 H new ATOM 0 HG SER A 29 0.507 16.283 -2.170 1.00 0.00 H new ATOM 393 N CYS A 30 -2.783 18.109 0.833 1.00 0.00 N ATOM 394 CA CYS A 30 -3.737 19.174 0.551 1.00 0.00 C ATOM 395 C CYS A 30 -3.062 20.541 0.617 1.00 0.00 C ATOM 396 O CYS A 30 -2.437 20.889 1.619 1.00 0.00 O ATOM 397 CB CYS A 30 -4.902 19.120 1.542 1.00 0.00 C ATOM 398 SG CYS A 30 -6.284 20.232 1.127 1.00 0.00 S ATOM 0 H CYS A 30 -2.313 18.192 1.734 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.120 19.026 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.275 18.097 1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.532 19.373 2.535 1.00 0.00 H new ATOM 403 N VAL A 31 -3.192 21.312 -0.458 1.00 0.00 N ATOM 404 CA VAL A 31 -2.596 22.641 -0.523 1.00 0.00 C ATOM 405 C VAL A 31 -3.664 23.726 -0.440 1.00 0.00 C ATOM 406 O VAL A 31 -4.389 23.974 -1.403 1.00 0.00 O ATOM 407 CB VAL A 31 -1.787 22.831 -1.820 1.00 0.00 C ATOM 408 CG1 VAL A 31 -1.165 24.218 -1.863 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.719 21.755 -1.943 1.00 0.00 C ATOM 0 H VAL A 31 -3.705 21.039 -1.296 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.925 22.729 0.331 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.465 22.737 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.597 24.334 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.952 24.971 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.499 24.345 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.157 21.904 -2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.042 21.816 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.192 20.773 -1.961 1.00 0.00 H new ATOM 419 N ALA A 32 -3.754 24.372 0.719 1.00 0.00 N ATOM 420 CA ALA A 32 -4.731 25.433 0.927 1.00 0.00 C ATOM 421 C ALA A 32 -4.094 26.640 1.609 1.00 0.00 C ATOM 422 O ALA A 32 -3.375 26.499 2.599 1.00 0.00 O ATOM 423 CB ALA A 32 -5.903 24.918 1.750 1.00 0.00 C ATOM 0 H ALA A 32 -3.162 24.179 1.527 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.098 25.751 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.625 25.721 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.382 24.092 1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.543 24.571 2.719 1.00 0.00 H new ATOM 429 N THR A 33 -4.362 27.826 1.073 1.00 0.00 N ATOM 430 CA THR A 33 -3.813 29.057 1.628 1.00 0.00 C ATOM 431 C THR A 33 -4.588 29.496 2.865 1.00 0.00 C ATOM 432 O THR A 33 -5.646 28.948 3.174 1.00 0.00 O ATOM 433 CB THR A 33 -3.833 30.198 0.593 1.00 0.00 C ATOM 434 OG1 THR A 33 -5.167 30.693 0.435 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.302 29.719 -0.750 1.00 0.00 C ATOM 0 H THR A 33 -4.956 27.960 0.255 1.00 0.00 H new ATOM 0 HA THR A 33 -2.780 28.845 1.905 1.00 0.00 H new ATOM 0 HB THR A 33 -3.189 30.999 0.956 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.182 31.375 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.326 30.541 -1.465 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.276 29.370 -0.632 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.923 28.902 -1.116 1.00 0.00 H new ATOM 443 N GLY A 34 -4.055 30.488 3.571 1.00 0.00 N ATOM 444 CA GLY A 34 -4.711 30.984 4.767 1.00 0.00 C ATOM 445 C GLY A 34 -3.725 31.385 5.846 1.00 0.00 C ATOM 446 O GLY A 34 -2.708 30.720 6.045 1.00 0.00 O ATOM 0 H GLY A 34 -3.180 30.957 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.330 31.843 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.378 30.215 5.157 1.00 0.00 H new ATOM 450 N SER A 35 -4.024 32.476 6.543 1.00 0.00 N ATOM 451 CA SER A 35 -3.153 32.968 7.604 1.00 0.00 C ATOM 452 C SER A 35 -3.930 33.154 8.903 1.00 0.00 C ATOM 453 O SER A 35 -4.925 33.876 8.963 1.00 0.00 O ATOM 454 CB SER A 35 -2.506 34.291 7.189 1.00 0.00 C ATOM 455 OG SER A 35 -1.582 34.736 8.167 1.00 0.00 O ATOM 0 H SER A 35 -4.863 33.036 6.392 1.00 0.00 H new ATOM 0 HA SER A 35 -2.372 32.227 7.772 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.997 34.166 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.278 35.047 7.043 1.00 0.00 H new ATOM 0 HG SER A 35 -1.181 35.582 7.877 1.00 0.00 H new ATOM 461 N PRO A 36 -3.466 32.486 9.970 1.00 0.00 N ATOM 462 CA PRO A 36 -2.283 31.623 9.910 1.00 0.00 C ATOM 463 C PRO A 36 -2.531 30.354 9.102 1.00 0.00 C ATOM 464 O PRO A 36 -3.622 30.148 8.571 1.00 0.00 O ATOM 465 CB PRO A 36 -2.021 31.279 11.379 1.00 0.00 C ATOM 466 CG PRO A 36 -3.348 31.416 12.042 1.00 0.00 C ATOM 467 CD PRO A 36 -4.062 32.522 11.316 1.00 0.00 C ATOM 0 HA PRO A 36 -1.445 32.114 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.628 30.268 11.485 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.287 31.954 11.819 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.911 30.484 11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.233 31.654 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.138 32.352 11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.906 33.486 11.799 1.00 0.00 H new ATOM 475 N VAL A 37 -1.511 29.507 9.011 1.00 0.00 N ATOM 476 CA VAL A 37 -1.619 28.257 8.268 1.00 0.00 C ATOM 477 C VAL A 37 -2.908 27.522 8.614 1.00 0.00 C ATOM 478 O VAL A 37 -3.268 27.364 9.781 1.00 0.00 O ATOM 479 CB VAL A 37 -0.421 27.331 8.550 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.601 25.995 7.846 1.00 0.00 C ATOM 481 CG2 VAL A 37 0.879 27.997 8.124 1.00 0.00 C ATOM 0 H VAL A 37 -0.600 29.664 9.443 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.626 28.518 7.210 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.373 27.145 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.255 25.354 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.511 25.514 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.676 26.158 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.715 27.329 8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.844 28.215 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.011 28.926 8.679 1.00 0.00 H new ATOM 491 N PRO A 38 -3.622 27.059 7.577 1.00 0.00 N ATOM 492 CA PRO A 38 -4.883 26.331 7.747 1.00 0.00 C ATOM 493 C PRO A 38 -4.676 24.945 8.348 1.00 0.00 C ATOM 494 O PRO A 38 -3.672 24.284 8.080 1.00 0.00 O ATOM 495 CB PRO A 38 -5.423 26.219 6.318 1.00 0.00 C ATOM 496 CG PRO A 38 -4.215 26.298 5.450 1.00 0.00 C ATOM 497 CD PRO A 38 -3.254 27.211 6.160 1.00 0.00 C ATOM 0 HA PRO A 38 -5.558 26.841 8.434 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.957 25.281 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.124 27.024 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.777 25.311 5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.468 26.688 4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.218 26.922 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.359 28.243 5.826 1.00 0.00 H new ATOM 505 N THR A 39 -5.632 24.510 9.163 1.00 0.00 N ATOM 506 CA THR A 39 -5.554 23.203 9.803 1.00 0.00 C ATOM 507 C THR A 39 -5.993 22.097 8.850 1.00 0.00 C ATOM 508 O THR A 39 -7.182 21.938 8.573 1.00 0.00 O ATOM 509 CB THR A 39 -6.425 23.146 11.072 1.00 0.00 C ATOM 510 OG1 THR A 39 -6.384 24.406 11.751 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.948 22.045 12.007 1.00 0.00 C ATOM 0 H THR A 39 -6.469 25.044 9.395 1.00 0.00 H new ATOM 0 HA THR A 39 -4.511 23.049 10.079 1.00 0.00 H new ATOM 0 HB THR A 39 -7.450 22.928 10.773 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.942 24.362 12.556 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.578 22.024 12.896 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.008 21.083 11.497 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.916 22.237 12.299 1.00 0.00 H new ATOM 519 N ILE A 40 -5.026 21.334 8.350 1.00 0.00 N ATOM 520 CA ILE A 40 -5.314 20.242 7.429 1.00 0.00 C ATOM 521 C ILE A 40 -5.756 18.991 8.181 1.00 0.00 C ATOM 522 O ILE A 40 -4.990 18.416 8.956 1.00 0.00 O ATOM 523 CB ILE A 40 -4.088 19.899 6.562 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.690 21.103 5.705 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.381 18.692 5.684 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.738 21.494 4.687 1.00 0.00 C ATOM 0 H ILE A 40 -4.037 21.452 8.568 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.124 20.580 6.782 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.254 19.652 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.494 21.954 6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.758 20.877 5.187 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.505 18.462 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.622 17.835 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.226 18.913 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.388 22.354 4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.918 20.658 4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.665 21.752 5.200 1.00 0.00 H new ATOM 538 N LEU A 41 -6.995 18.574 7.947 1.00 0.00 N ATOM 539 CA LEU A 41 -7.540 17.389 8.600 1.00 0.00 C ATOM 540 C LEU A 41 -7.871 16.307 7.578 1.00 0.00 C ATOM 541 O LEU A 41 -7.683 16.496 6.376 1.00 0.00 O ATOM 542 CB LEU A 41 -8.793 17.753 9.398 1.00 0.00 C ATOM 543 CG LEU A 41 -8.559 18.491 10.717 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.371 17.896 11.458 1.00 0.00 C ATOM 545 CD2 LEU A 41 -8.343 19.976 10.466 1.00 0.00 C ATOM 0 H LEU A 41 -7.642 19.039 7.310 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.783 17.000 9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.434 18.370 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.343 16.836 9.611 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.446 18.373 11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.220 18.434 12.394 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.564 16.845 11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.477 17.983 10.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.178 20.485 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.473 20.114 9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.223 20.394 9.978 1.00 0.00 H new ATOM 557 N TRP A 42 -8.366 15.174 8.063 1.00 0.00 N ATOM 558 CA TRP A 42 -8.725 14.062 7.190 1.00 0.00 C ATOM 559 C TRP A 42 -9.962 13.338 7.712 1.00 0.00 C ATOM 560 O TRP A 42 -10.189 13.269 8.920 1.00 0.00 O ATOM 561 CB TRP A 42 -7.557 13.081 7.072 1.00 0.00 C ATOM 562 CG TRP A 42 -6.316 13.701 6.506 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.208 14.096 7.199 1.00 0.00 C ATOM 564 CD2 TRP A 42 -6.058 13.998 5.129 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.276 14.621 6.336 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.773 14.571 5.061 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.786 13.833 3.948 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.204 14.981 3.858 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.220 14.241 2.755 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.939 14.808 2.717 1.00 0.00 C ATOM 0 H TRP A 42 -8.528 15.001 9.055 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.952 14.466 6.203 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.334 12.673 8.058 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.857 12.244 6.441 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.082 14.009 8.268 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.362 14.988 6.602 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.773 13.395 3.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.218 15.420 3.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.775 14.121 1.836 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.524 15.114 1.768 1.00 0.00 H new ATOM 581 N ARG A 43 -10.759 12.801 6.794 1.00 0.00 N ATOM 582 CA ARG A 43 -11.974 12.084 7.162 1.00 0.00 C ATOM 583 C ARG A 43 -12.204 10.894 6.235 1.00 0.00 C ATOM 584 O ARG A 43 -12.287 11.048 5.017 1.00 0.00 O ATOM 585 CB ARG A 43 -13.180 13.023 7.114 1.00 0.00 C ATOM 586 CG ARG A 43 -13.204 14.043 8.240 1.00 0.00 C ATOM 587 CD ARG A 43 -14.459 14.899 8.190 1.00 0.00 C ATOM 588 NE ARG A 43 -14.454 15.812 7.050 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.491 16.570 6.711 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.609 16.526 7.422 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.410 17.376 5.660 1.00 0.00 N ATOM 0 H ARG A 43 -10.585 12.849 5.790 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.853 11.712 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.182 13.549 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.093 12.430 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -13.151 13.528 9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.324 14.682 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.336 14.254 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.544 15.472 9.113 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.608 15.871 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.675 15.909 8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.404 17.109 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.551 17.414 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.207 17.958 5.401 1.00 0.00 H new ATOM 605 N LYS A 44 -12.307 9.705 6.821 1.00 0.00 N ATOM 606 CA LYS A 44 -12.528 8.488 6.050 1.00 0.00 C ATOM 607 C LYS A 44 -13.961 7.992 6.216 1.00 0.00 C ATOM 608 O LYS A 44 -14.392 7.670 7.323 1.00 0.00 O ATOM 609 CB LYS A 44 -11.546 7.398 6.485 1.00 0.00 C ATOM 610 CG LYS A 44 -11.802 6.052 5.829 1.00 0.00 C ATOM 611 CD LYS A 44 -11.337 4.905 6.711 1.00 0.00 C ATOM 612 CE LYS A 44 -9.833 4.700 6.612 1.00 0.00 C ATOM 613 NZ LYS A 44 -9.092 5.558 7.578 1.00 0.00 N ATOM 0 H LYS A 44 -12.241 9.559 7.828 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.361 8.719 4.998 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.531 7.720 6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.601 7.282 7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.867 5.944 5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.284 6.009 4.871 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.610 5.107 7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.850 3.989 6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.596 3.653 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.502 4.925 5.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.449 6.190 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.768 6.127 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.540 4.957 8.224 1.00 0.00 H new ATOM 627 N ASP A 45 -14.694 7.933 5.109 1.00 0.00 N ATOM 628 CA ASP A 45 -16.078 7.473 5.132 1.00 0.00 C ATOM 629 C ASP A 45 -16.895 8.261 6.152 1.00 0.00 C ATOM 630 O ASP A 45 -17.774 7.712 6.814 1.00 0.00 O ATOM 631 CB ASP A 45 -16.136 5.980 5.457 1.00 0.00 C ATOM 632 CG ASP A 45 -15.493 5.128 4.380 1.00 0.00 C ATOM 633 OD1 ASP A 45 -15.450 5.577 3.216 1.00 0.00 O ATOM 634 OD2 ASP A 45 -15.033 4.012 4.702 1.00 0.00 O ATOM 0 H ASP A 45 -14.353 8.198 4.185 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.507 7.638 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.635 5.798 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.176 5.678 5.582 1.00 0.00 H new ATOM 639 N GLY A 46 -16.596 9.551 6.274 1.00 0.00 N ATOM 640 CA GLY A 46 -17.311 10.392 7.216 1.00 0.00 C ATOM 641 C GLY A 46 -16.887 10.146 8.650 1.00 0.00 C ATOM 642 O GLY A 46 -17.687 10.289 9.575 1.00 0.00 O ATOM 0 H GLY A 46 -15.872 10.028 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.142 11.439 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.382 10.210 7.121 1.00 0.00 H new ATOM 646 N VAL A 47 -15.625 9.774 8.837 1.00 0.00 N ATOM 647 CA VAL A 47 -15.096 9.507 10.169 1.00 0.00 C ATOM 648 C VAL A 47 -13.721 10.140 10.351 1.00 0.00 C ATOM 649 O VAL A 47 -12.842 9.999 9.499 1.00 0.00 O ATOM 650 CB VAL A 47 -14.993 7.994 10.439 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.373 7.737 11.804 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.362 7.340 10.335 1.00 0.00 C ATOM 0 H VAL A 47 -14.950 9.651 8.083 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.793 9.949 10.881 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.346 7.551 9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.308 6.663 11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.374 8.171 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.992 8.193 12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.270 6.271 10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -17.035 7.785 11.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.764 7.494 9.334 1.00 0.00 H new ATOM 662 N LEU A 48 -13.539 10.837 11.467 1.00 0.00 N ATOM 663 CA LEU A 48 -12.270 11.492 11.763 1.00 0.00 C ATOM 664 C LEU A 48 -11.119 10.492 11.722 1.00 0.00 C ATOM 665 O LEU A 48 -11.048 9.577 12.543 1.00 0.00 O ATOM 666 CB LEU A 48 -12.328 12.165 13.136 1.00 0.00 C ATOM 667 CG LEU A 48 -12.884 13.589 13.162 1.00 0.00 C ATOM 668 CD1 LEU A 48 -12.038 14.508 12.295 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.334 13.603 12.702 1.00 0.00 C ATOM 0 H LEU A 48 -14.255 10.963 12.182 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.095 12.251 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.936 11.547 13.796 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.321 12.182 13.553 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.846 13.955 14.188 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.449 15.517 12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.015 14.521 12.670 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.043 14.145 11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.714 14.624 12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.397 13.217 11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.932 12.977 13.365 1.00 0.00 H new ATOM 681 N VAL A 49 -10.217 10.674 10.762 1.00 0.00 N ATOM 682 CA VAL A 49 -9.067 9.789 10.616 1.00 0.00 C ATOM 683 C VAL A 49 -8.492 9.407 11.975 1.00 0.00 C ATOM 684 O VAL A 49 -8.482 10.214 12.906 1.00 0.00 O ATOM 685 CB VAL A 49 -7.961 10.443 9.768 1.00 0.00 C ATOM 686 CG1 VAL A 49 -6.634 9.729 9.978 1.00 0.00 C ATOM 687 CG2 VAL A 49 -8.348 10.444 8.297 1.00 0.00 C ATOM 0 H VAL A 49 -10.261 11.426 10.074 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.420 8.891 10.109 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.844 11.478 10.090 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.864 10.205 9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.353 9.786 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.733 8.684 9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.555 10.910 7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.494 9.418 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.273 11.005 8.165 1.00 0.00 H new ATOM 697 N SER A 50 -8.012 8.172 12.083 1.00 0.00 N ATOM 698 CA SER A 50 -7.437 7.682 13.330 1.00 0.00 C ATOM 699 C SER A 50 -5.913 7.677 13.261 1.00 0.00 C ATOM 700 O SER A 50 -5.309 6.788 12.661 1.00 0.00 O ATOM 701 CB SER A 50 -7.949 6.272 13.632 1.00 0.00 C ATOM 702 OG SER A 50 -9.130 6.315 14.414 1.00 0.00 O ATOM 0 H SER A 50 -8.010 7.493 11.322 1.00 0.00 H new ATOM 0 HA SER A 50 -7.745 8.353 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.146 5.746 12.698 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.180 5.708 14.160 1.00 0.00 H new ATOM 0 HG SER A 50 -9.438 5.402 14.592 1.00 0.00 H new ATOM 708 N THR A 51 -5.296 8.679 13.880 1.00 0.00 N ATOM 709 CA THR A 51 -3.843 8.793 13.889 1.00 0.00 C ATOM 710 C THR A 51 -3.241 8.053 15.077 1.00 0.00 C ATOM 711 O THR A 51 -2.239 8.486 15.646 1.00 0.00 O ATOM 712 CB THR A 51 -3.396 10.267 13.935 1.00 0.00 C ATOM 713 OG1 THR A 51 -4.185 10.989 14.887 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.525 10.915 12.565 1.00 0.00 C ATOM 0 H THR A 51 -5.780 9.423 14.382 1.00 0.00 H new ATOM 0 HA THR A 51 -3.484 8.341 12.964 1.00 0.00 H new ATOM 0 HB THR A 51 -2.349 10.297 14.236 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.893 11.924 14.911 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.204 11.955 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.899 10.381 11.850 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.564 10.874 12.239 1.00 0.00 H new ATOM 722 N GLN A 52 -3.858 6.936 15.447 1.00 0.00 N ATOM 723 CA GLN A 52 -3.381 6.136 16.569 1.00 0.00 C ATOM 724 C GLN A 52 -2.561 4.947 16.080 1.00 0.00 C ATOM 725 O GLN A 52 -1.625 4.509 16.749 1.00 0.00 O ATOM 726 CB GLN A 52 -4.560 5.646 17.411 1.00 0.00 C ATOM 727 CG GLN A 52 -4.985 6.627 18.492 1.00 0.00 C ATOM 728 CD GLN A 52 -6.319 6.266 19.116 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.666 5.091 19.230 1.00 0.00 O ATOM 730 NE2 GLN A 52 -7.075 7.279 19.524 1.00 0.00 N ATOM 0 H GLN A 52 -4.689 6.564 14.987 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.741 6.766 17.186 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.408 5.451 16.755 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.293 4.697 17.877 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.221 6.659 19.269 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.047 7.628 18.065 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.747 8.238 19.410 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.983 7.098 19.952 1.00 0.00 H new ATOM 739 N ASP A 53 -2.919 4.428 14.911 1.00 0.00 N ATOM 740 CA ASP A 53 -2.216 3.289 14.332 1.00 0.00 C ATOM 741 C ASP A 53 -0.795 3.673 13.934 1.00 0.00 C ATOM 742 O ASP A 53 -0.411 4.840 14.014 1.00 0.00 O ATOM 743 CB ASP A 53 -2.975 2.760 13.114 1.00 0.00 C ATOM 744 CG ASP A 53 -2.665 1.305 12.826 1.00 0.00 C ATOM 745 OD1 ASP A 53 -1.610 1.032 12.215 1.00 0.00 O ATOM 746 OD2 ASP A 53 -3.476 0.438 13.212 1.00 0.00 O ATOM 0 H ASP A 53 -3.692 4.778 14.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.163 2.504 15.086 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.046 2.874 13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.721 3.362 12.242 1.00 0.00 H new ATOM 751 N SER A 54 -0.018 2.684 13.505 1.00 0.00 N ATOM 752 CA SER A 54 1.363 2.917 13.100 1.00 0.00 C ATOM 753 C SER A 54 1.441 3.281 11.620 1.00 0.00 C ATOM 754 O SER A 54 2.380 3.944 11.181 1.00 0.00 O ATOM 755 CB SER A 54 2.215 1.677 13.377 1.00 0.00 C ATOM 756 OG SER A 54 3.559 1.882 12.978 1.00 0.00 O ATOM 0 H SER A 54 -0.322 1.713 13.429 1.00 0.00 H new ATOM 0 HA SER A 54 1.750 3.752 13.683 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.180 1.438 14.440 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.801 0.821 12.844 1.00 0.00 H new ATOM 0 HG SER A 54 4.083 1.076 13.167 1.00 0.00 H new ATOM 762 N ARG A 55 0.446 2.841 10.856 1.00 0.00 N ATOM 763 CA ARG A 55 0.401 3.118 9.426 1.00 0.00 C ATOM 764 C ARG A 55 0.255 4.615 9.166 1.00 0.00 C ATOM 765 O ARG A 55 1.027 5.201 8.407 1.00 0.00 O ATOM 766 CB ARG A 55 -0.758 2.362 8.774 1.00 0.00 C ATOM 767 CG ARG A 55 -0.712 0.860 9.006 1.00 0.00 C ATOM 768 CD ARG A 55 -1.837 0.149 8.270 1.00 0.00 C ATOM 769 NE ARG A 55 -3.020 0.993 8.130 1.00 0.00 N ATOM 770 CZ ARG A 55 -3.913 1.173 9.096 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.759 0.571 10.267 1.00 0.00 N ATOM 772 NH2 ARG A 55 -4.964 1.958 8.892 1.00 0.00 N ATOM 0 H ARG A 55 -0.340 2.291 11.204 1.00 0.00 H new ATOM 0 HA ARG A 55 1.340 2.780 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.699 2.752 9.161 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.750 2.556 7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.248 0.468 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.786 0.653 10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.489 -0.154 7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.103 -0.761 8.807 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.169 1.471 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.953 -0.033 10.428 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.447 0.711 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.086 2.423 7.993 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.650 2.096 9.635 1.00 0.00 H new ATOM 786 N ILE A 56 -0.739 5.226 9.802 1.00 0.00 N ATOM 787 CA ILE A 56 -0.985 6.654 9.640 1.00 0.00 C ATOM 788 C ILE A 56 -0.030 7.477 10.498 1.00 0.00 C ATOM 789 O ILE A 56 -0.041 7.381 11.726 1.00 0.00 O ATOM 790 CB ILE A 56 -2.434 7.021 10.009 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.419 6.164 9.211 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.686 8.500 9.757 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.770 4.858 9.888 1.00 0.00 C ATOM 0 H ILE A 56 -1.387 4.755 10.434 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.817 6.886 8.588 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.585 6.822 11.070 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.333 6.735 9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.992 5.952 8.230 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.715 8.744 10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.003 9.094 10.365 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.521 8.723 8.703 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.472 4.303 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.865 4.267 10.030 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.226 5.061 10.857 1.00 0.00 H new ATOM 805 N LYS A 57 0.795 8.288 9.845 1.00 0.00 N ATOM 806 CA LYS A 57 1.755 9.132 10.546 1.00 0.00 C ATOM 807 C LYS A 57 1.957 10.453 9.811 1.00 0.00 C ATOM 808 O LYS A 57 2.378 10.471 8.655 1.00 0.00 O ATOM 809 CB LYS A 57 3.094 8.405 10.690 1.00 0.00 C ATOM 810 CG LYS A 57 4.243 9.319 11.080 1.00 0.00 C ATOM 811 CD LYS A 57 5.310 8.570 11.861 1.00 0.00 C ATOM 812 CE LYS A 57 6.221 7.775 10.939 1.00 0.00 C ATOM 813 NZ LYS A 57 5.650 6.440 10.611 1.00 0.00 N ATOM 0 H LYS A 57 0.818 8.379 8.829 1.00 0.00 H new ATOM 0 HA LYS A 57 1.357 9.346 11.538 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.993 7.621 11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.335 7.914 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.685 9.753 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.864 10.146 11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.904 9.278 12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.835 7.896 12.574 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.385 8.336 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.195 7.647 11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.419 5.785 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.134 6.071 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.998 6.530 9.806 1.00 0.00 H new ATOM 827 N GLN A 58 1.657 11.555 10.491 1.00 0.00 N ATOM 828 CA GLN A 58 1.807 12.880 9.901 1.00 0.00 C ATOM 829 C GLN A 58 3.275 13.191 9.630 1.00 0.00 C ATOM 830 O GLN A 58 4.146 12.896 10.449 1.00 0.00 O ATOM 831 CB GLN A 58 1.210 13.943 10.825 1.00 0.00 C ATOM 832 CG GLN A 58 -0.286 14.136 10.644 1.00 0.00 C ATOM 833 CD GLN A 58 -0.738 15.544 10.981 1.00 0.00 C ATOM 834 OE1 GLN A 58 -0.286 16.135 11.962 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.635 16.089 10.167 1.00 0.00 N ATOM 0 H GLN A 58 1.309 11.557 11.450 1.00 0.00 H new ATOM 0 HA GLN A 58 1.271 12.891 8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.409 13.666 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.715 14.893 10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.556 13.909 9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.819 13.426 11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.982 15.563 9.365 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.976 17.034 10.344 1.00 0.00 H new ATOM 844 N LEU A 59 3.544 13.789 8.474 1.00 0.00 N ATOM 845 CA LEU A 59 4.907 14.141 8.093 1.00 0.00 C ATOM 846 C LEU A 59 5.062 15.652 7.955 1.00 0.00 C ATOM 847 O LEU A 59 5.750 16.291 8.751 1.00 0.00 O ATOM 848 CB LEU A 59 5.283 13.456 6.778 1.00 0.00 C ATOM 849 CG LEU A 59 4.863 11.993 6.640 1.00 0.00 C ATOM 850 CD1 LEU A 59 5.003 11.531 5.197 1.00 0.00 C ATOM 851 CD2 LEU A 59 5.689 11.111 7.566 1.00 0.00 C ATOM 0 H LEU A 59 2.836 14.040 7.784 1.00 0.00 H new ATOM 0 HA LEU A 59 5.578 13.797 8.880 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.839 14.020 5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.365 13.516 6.657 1.00 0.00 H new ATOM 0 HG LEU A 59 3.815 11.907 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.700 10.487 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.368 12.143 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.042 11.632 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.376 10.073 7.454 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.744 11.202 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.539 11.426 8.599 1.00 0.00 H new ATOM 863 N GLU A 60 4.414 16.218 6.941 1.00 0.00 N ATOM 864 CA GLU A 60 4.479 17.655 6.700 1.00 0.00 C ATOM 865 C GLU A 60 3.192 18.340 7.150 1.00 0.00 C ATOM 866 O GLU A 60 2.307 17.707 7.725 1.00 0.00 O ATOM 867 CB GLU A 60 4.727 17.935 5.217 1.00 0.00 C ATOM 868 CG GLU A 60 5.913 17.176 4.644 1.00 0.00 C ATOM 869 CD GLU A 60 7.238 17.850 4.946 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.521 18.092 6.138 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.990 18.135 3.992 1.00 0.00 O ATOM 0 H GLU A 60 3.839 15.704 6.274 1.00 0.00 H new ATOM 0 HA GLU A 60 5.308 18.058 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.832 17.674 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.890 19.004 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.923 16.165 5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.794 17.085 3.564 1.00 0.00 H new ATOM 878 N ASN A 61 3.096 19.639 6.884 1.00 0.00 N ATOM 879 CA ASN A 61 1.919 20.412 7.262 1.00 0.00 C ATOM 880 C ASN A 61 0.639 19.671 6.888 1.00 0.00 C ATOM 881 O ASN A 61 -0.088 19.189 7.755 1.00 0.00 O ATOM 882 CB ASN A 61 1.944 21.783 6.585 1.00 0.00 C ATOM 883 CG ASN A 61 3.327 22.406 6.591 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.136 22.059 5.597 1.00 0.00 O flip ATOM 885 ND2 ASN A 61 3.663 23.189 7.479 1.00 0.00 N flip ATOM 0 H ASN A 61 3.819 20.178 6.408 1.00 0.00 H new ATOM 0 HA ASN A 61 1.937 20.548 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.598 21.683 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.246 22.449 7.093 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.008 23.427 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.597 23.600 7.470 1.00 0.00 H new ATOM 892 N GLY A 62 0.370 19.584 5.589 1.00 0.00 N ATOM 893 CA GLY A 62 -0.822 18.900 5.122 1.00 0.00 C ATOM 894 C GLY A 62 -0.499 17.665 4.304 1.00 0.00 C ATOM 895 O GLY A 62 -0.914 17.550 3.151 1.00 0.00 O ATOM 0 H GLY A 62 0.956 19.975 4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.433 18.615 5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.418 19.585 4.519 1.00 0.00 H new ATOM 899 N VAL A 63 0.245 16.740 4.902 1.00 0.00 N ATOM 900 CA VAL A 63 0.624 15.507 4.221 1.00 0.00 C ATOM 901 C VAL A 63 0.436 14.298 5.130 1.00 0.00 C ATOM 902 O VAL A 63 1.119 14.158 6.145 1.00 0.00 O ATOM 903 CB VAL A 63 2.088 15.556 3.746 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.443 14.291 2.979 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.330 16.792 2.893 1.00 0.00 C ATOM 0 H VAL A 63 0.597 16.821 5.856 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.029 15.411 3.353 1.00 0.00 H new ATOM 0 HB VAL A 63 2.734 15.615 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.481 14.344 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.310 13.424 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.792 14.198 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.370 16.811 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.676 16.766 2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.118 17.686 3.479 1.00 0.00 H new ATOM 915 N LEU A 64 -0.494 13.425 4.758 1.00 0.00 N ATOM 916 CA LEU A 64 -0.773 12.225 5.540 1.00 0.00 C ATOM 917 C LEU A 64 -0.440 10.967 4.743 1.00 0.00 C ATOM 918 O LEU A 64 -0.962 10.759 3.648 1.00 0.00 O ATOM 919 CB LEU A 64 -2.242 12.199 5.965 1.00 0.00 C ATOM 920 CG LEU A 64 -2.612 11.173 7.037 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.437 11.766 8.427 1.00 0.00 C ATOM 922 CD2 LEU A 64 -4.040 10.687 6.839 1.00 0.00 C ATOM 0 H LEU A 64 -1.067 13.525 3.920 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.144 12.247 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.511 13.190 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.852 12.008 5.082 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.942 10.319 6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.705 11.021 9.177 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.398 12.064 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.082 12.638 8.535 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.286 9.958 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.725 11.532 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.133 10.222 5.857 1.00 0.00 H new ATOM 934 N GLN A 65 0.430 10.132 5.302 1.00 0.00 N ATOM 935 CA GLN A 65 0.830 8.894 4.644 1.00 0.00 C ATOM 936 C GLN A 65 0.443 7.681 5.484 1.00 0.00 C ATOM 937 O GLN A 65 0.580 7.692 6.708 1.00 0.00 O ATOM 938 CB GLN A 65 2.339 8.892 4.389 1.00 0.00 C ATOM 939 CG GLN A 65 2.802 7.758 3.489 1.00 0.00 C ATOM 940 CD GLN A 65 4.170 8.013 2.888 1.00 0.00 C ATOM 941 OE1 GLN A 65 4.301 8.728 1.894 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.199 7.427 3.489 1.00 0.00 N ATOM 0 H GLN A 65 0.871 10.290 6.208 1.00 0.00 H new ATOM 0 HA GLN A 65 0.307 8.834 3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.624 9.842 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.860 8.823 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.828 6.831 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.077 7.616 2.687 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.044 6.843 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.144 7.561 3.129 1.00 0.00 H new ATOM 951 N ILE A 66 -0.040 6.637 4.819 1.00 0.00 N ATOM 952 CA ILE A 66 -0.446 5.417 5.505 1.00 0.00 C ATOM 953 C ILE A 66 0.233 4.194 4.899 1.00 0.00 C ATOM 954 O ILE A 66 -0.075 3.793 3.776 1.00 0.00 O ATOM 955 CB ILE A 66 -1.973 5.222 5.451 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.688 6.494 5.911 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.386 4.036 6.310 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.936 7.485 4.795 1.00 0.00 C ATOM 0 H ILE A 66 -0.160 6.612 3.806 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.138 5.523 6.545 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.262 5.018 4.420 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.642 6.222 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.093 6.975 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.468 3.911 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.899 3.133 5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.087 4.213 7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.446 8.362 5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.984 7.786 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.557 7.022 4.028 1.00 0.00 H new ATOM 970 N ARG A 67 1.157 3.603 5.649 1.00 0.00 N ATOM 971 CA ARG A 67 1.879 2.425 5.186 1.00 0.00 C ATOM 972 C ARG A 67 1.079 1.154 5.458 1.00 0.00 C ATOM 973 O ARG A 67 0.270 1.105 6.385 1.00 0.00 O ATOM 974 CB ARG A 67 3.245 2.336 5.870 1.00 0.00 C ATOM 975 CG ARG A 67 4.330 3.138 5.169 1.00 0.00 C ATOM 976 CD ARG A 67 5.481 3.457 6.110 1.00 0.00 C ATOM 977 NE ARG A 67 6.405 2.334 6.244 1.00 0.00 N ATOM 978 CZ ARG A 67 7.303 2.233 7.218 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.396 3.183 8.139 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.108 1.180 7.274 1.00 0.00 N ATOM 0 H ARG A 67 1.423 3.921 6.581 1.00 0.00 H new ATOM 0 HA ARG A 67 2.024 2.519 4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.151 2.688 6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.551 1.291 5.918 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.703 2.577 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.907 4.065 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.021 4.329 5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.085 3.720 7.091 1.00 0.00 H new ATOM 0 HE ARG A 67 6.358 1.586 5.552 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.777 3.993 8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.086 3.103 8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.038 0.446 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.797 1.104 8.022 1.00 0.00 H new ATOM 994 N TYR A 68 1.309 0.130 4.644 1.00 0.00 N ATOM 995 CA TYR A 68 0.608 -1.139 4.795 1.00 0.00 C ATOM 996 C TYR A 68 -0.898 -0.951 4.638 1.00 0.00 C ATOM 997 O TYR A 68 -1.682 -1.414 5.465 1.00 0.00 O ATOM 998 CB TYR A 68 0.916 -1.757 6.160 1.00 0.00 C ATOM 999 CG TYR A 68 2.369 -1.643 6.562 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.837 -0.522 7.238 1.00 0.00 C ATOM 1001 CD2 TYR A 68 3.274 -2.655 6.266 1.00 0.00 C ATOM 1002 CE1 TYR A 68 4.164 -0.414 7.606 1.00 0.00 C ATOM 1003 CE2 TYR A 68 4.602 -2.555 6.632 1.00 0.00 C ATOM 1004 CZ TYR A 68 5.043 -1.432 7.302 1.00 0.00 C ATOM 1005 OH TYR A 68 6.365 -1.329 7.667 1.00 0.00 O ATOM 0 H TYR A 68 1.976 0.154 3.873 1.00 0.00 H new ATOM 0 HA TYR A 68 0.956 -1.813 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.299 -1.272 6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.633 -2.810 6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.152 0.277 7.479 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.933 -3.535 5.741 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.512 0.464 8.130 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.292 -3.352 6.395 1.00 0.00 H new ATOM 0 HH TYR A 68 6.847 -2.132 7.379 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.294 -0.269 3.568 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.705 -0.022 3.299 1.00 0.00 C ATOM 1017 C ALA A 69 -3.464 -1.330 3.104 1.00 0.00 C ATOM 1018 O ALA A 69 -3.386 -1.953 2.045 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.861 0.869 2.075 1.00 0.00 C ATOM 0 H ALA A 69 -0.657 0.122 2.874 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.130 0.489 4.163 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.920 1.045 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.361 1.821 2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.414 0.380 1.209 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.199 -1.741 4.132 1.00 0.00 N ATOM 1026 CA LYS A 70 -4.973 -2.975 4.075 1.00 0.00 C ATOM 1027 C LYS A 70 -6.236 -2.786 3.241 1.00 0.00 C ATOM 1028 O LYS A 70 -6.682 -1.660 3.017 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.345 -3.434 5.486 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.163 -3.488 6.440 1.00 0.00 C ATOM 1031 CD LYS A 70 -4.617 -3.627 7.883 1.00 0.00 C ATOM 1032 CE LYS A 70 -5.097 -2.298 8.447 1.00 0.00 C ATOM 1033 NZ LYS A 70 -5.547 -2.426 9.861 1.00 0.00 N ATOM 0 H LYS A 70 -4.275 -1.237 5.015 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.357 -3.740 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.098 -2.759 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.801 -4.423 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.520 -4.328 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.565 -2.583 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.421 -4.361 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.794 -4.005 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.292 -1.566 8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.918 -1.920 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.866 -1.499 10.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.332 -3.106 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.757 -2.762 10.448 1.00 0.00 H new ATOM 1047 N LEU A 71 -6.810 -3.895 2.786 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.024 -3.851 1.978 1.00 0.00 C ATOM 1049 C LEU A 71 -9.094 -2.996 2.649 1.00 0.00 C ATOM 1050 O LEU A 71 -9.811 -2.247 1.986 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.557 -5.266 1.746 1.00 0.00 C ATOM 1052 CG LEU A 71 -7.796 -6.110 0.722 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.195 -7.573 0.834 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -8.047 -5.594 -0.687 1.00 0.00 C ATOM 0 H LEU A 71 -6.455 -4.835 2.963 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.775 -3.401 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.552 -5.795 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.597 -5.193 1.427 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.730 -6.028 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.644 -8.158 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.963 -7.938 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.265 -7.674 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.498 -6.206 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.113 -5.645 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.710 -4.560 -0.761 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.196 -3.113 3.969 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.180 -2.343 4.708 1.00 0.00 C ATOM 1068 C GLY A 72 -9.970 -0.849 4.570 1.00 0.00 C ATOM 1069 O GLY A 72 -10.931 -0.080 4.546 1.00 0.00 O ATOM 0 H GLY A 72 -8.615 -3.727 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.178 -2.601 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.134 -2.617 5.762 1.00 0.00 H new ATOM 1073 N ASP A 73 -8.711 -0.435 4.480 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.378 0.978 4.344 1.00 0.00 C ATOM 1075 C ASP A 73 -9.210 1.629 3.243 1.00 0.00 C ATOM 1076 O ASP A 73 -9.580 2.799 3.338 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.888 1.146 4.041 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.482 2.602 3.921 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.677 3.185 2.834 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.970 3.158 4.915 1.00 0.00 O ATOM 0 H ASP A 73 -7.904 -1.058 4.499 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.607 1.472 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.304 0.673 4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.648 0.627 3.113 1.00 0.00 H new ATOM 1085 N THR A 74 -9.499 0.862 2.195 1.00 0.00 N ATOM 1086 CA THR A 74 -10.285 1.364 1.075 1.00 0.00 C ATOM 1087 C THR A 74 -11.385 2.305 1.553 1.00 0.00 C ATOM 1088 O THR A 74 -12.349 1.877 2.186 1.00 0.00 O ATOM 1089 CB THR A 74 -10.921 0.212 0.275 1.00 0.00 C ATOM 1090 OG1 THR A 74 -9.902 -0.670 -0.209 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.731 0.749 -0.896 1.00 0.00 C ATOM 0 H THR A 74 -9.200 -0.109 2.099 1.00 0.00 H new ATOM 0 HA THR A 74 -9.600 1.911 0.427 1.00 0.00 H new ATOM 0 HB THR A 74 -11.590 -0.336 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.607 -1.258 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.171 -0.083 -1.446 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.524 1.397 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.079 1.318 -1.559 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.234 3.589 1.244 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.224 4.571 1.650 1.00 0.00 C ATOM 1101 C GLY A 75 -12.001 5.921 0.999 1.00 0.00 C ATOM 1102 O GLY A 75 -10.972 6.150 0.364 1.00 0.00 O ATOM 0 H GLY A 75 -10.445 3.967 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.219 4.207 1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.196 4.684 2.734 1.00 0.00 H new ATOM 1106 N ARG A 76 -12.970 6.818 1.155 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.876 8.153 0.575 1.00 0.00 C ATOM 1108 C ARG A 76 -12.261 9.135 1.568 1.00 0.00 C ATOM 1109 O ARG A 76 -12.779 9.326 2.669 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.259 8.644 0.146 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.218 8.855 1.306 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.618 9.191 0.817 1.00 0.00 C ATOM 1113 NE ARG A 76 -17.647 8.742 1.752 1.00 0.00 N ATOM 1114 CZ ARG A 76 -18.895 9.198 1.746 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -19.267 10.109 0.858 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -19.774 8.741 2.629 1.00 0.00 N ATOM 0 H ARG A 76 -13.829 6.645 1.678 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.230 8.097 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.149 9.582 -0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.693 7.922 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.252 7.955 1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.850 9.661 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.703 10.268 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.784 8.726 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.393 8.040 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.595 10.462 0.177 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.226 10.457 0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.492 8.039 3.313 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.732 9.092 2.624 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.155 9.755 1.172 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.469 10.715 2.028 1.00 0.00 C ATOM 1132 C TYR A 77 -10.758 12.145 1.583 1.00 0.00 C ATOM 1133 O TYR A 77 -10.923 12.417 0.394 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.961 10.458 2.011 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.561 9.156 2.666 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.401 9.068 4.043 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -8.343 8.012 1.907 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.034 7.880 4.646 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.978 6.819 2.501 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.825 6.759 3.871 1.00 0.00 C ATOM 1141 OH TYR A 77 -7.461 5.573 4.467 1.00 0.00 O ATOM 0 H TYR A 77 -10.714 9.610 0.264 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.841 10.588 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.613 10.457 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.455 11.280 2.517 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.566 9.944 4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.461 8.056 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.912 7.830 5.718 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.814 5.939 1.897 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.396 5.700 5.437 1.00 0.00 H new ATOM 1151 N THR A 78 -10.817 13.058 2.548 1.00 0.00 N ATOM 1152 CA THR A 78 -11.086 14.460 2.258 1.00 0.00 C ATOM 1153 C THR A 78 -10.256 15.376 3.151 1.00 0.00 C ATOM 1154 O THR A 78 -10.136 15.144 4.355 1.00 0.00 O ATOM 1155 CB THR A 78 -12.578 14.796 2.444 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.346 14.217 1.384 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.794 16.302 2.470 1.00 0.00 C ATOM 0 H THR A 78 -10.682 12.851 3.538 1.00 0.00 H new ATOM 0 HA THR A 78 -10.810 14.625 1.216 1.00 0.00 H new ATOM 0 HB THR A 78 -12.905 14.381 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.224 14.743 0.566 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.855 16.515 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.231 16.736 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.451 16.735 1.530 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.684 16.416 2.555 1.00 0.00 N ATOM 1166 CA CYS A 79 -8.865 17.368 3.296 1.00 0.00 C ATOM 1167 C CYS A 79 -9.679 18.596 3.690 1.00 0.00 C ATOM 1168 O CYS A 79 -10.446 19.129 2.887 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.655 17.791 2.460 1.00 0.00 C ATOM 1170 SG CYS A 79 -7.994 19.152 1.298 1.00 0.00 S ATOM 0 H CYS A 79 -9.772 16.621 1.560 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.517 16.878 4.205 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.851 18.092 3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -7.296 16.929 1.898 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.507 19.041 4.930 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.225 20.207 5.430 1.00 0.00 C ATOM 1177 C ILE A 80 -9.259 21.269 5.943 1.00 0.00 C ATOM 1178 O ILE A 80 -8.346 20.973 6.712 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.199 19.826 6.561 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -11.975 18.560 6.191 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.155 20.975 6.846 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.270 17.282 6.590 1.00 0.00 C ATOM 0 H ILE A 80 -8.876 18.612 5.607 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.794 20.611 4.592 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.623 19.625 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.954 18.590 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.147 18.550 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.837 20.691 7.647 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.587 21.855 7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.727 21.204 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.877 16.425 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.303 17.229 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.122 17.270 7.670 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.468 22.509 5.511 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.618 23.617 5.930 1.00 0.00 C ATOM 1196 C ALA A 81 -9.422 24.673 6.680 1.00 0.00 C ATOM 1197 O ALA A 81 -10.113 25.489 6.071 1.00 0.00 O ATOM 1198 CB ALA A 81 -7.927 24.236 4.724 1.00 0.00 C ATOM 0 H ALA A 81 -10.218 22.771 4.872 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.861 23.225 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.295 25.062 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.313 23.483 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.677 24.607 4.026 1.00 0.00 H new ATOM 1204 N SER A 82 -9.328 24.650 8.006 1.00 0.00 N ATOM 1205 CA SER A 82 -10.051 25.603 8.840 1.00 0.00 C ATOM 1206 C SER A 82 -9.197 26.836 9.122 1.00 0.00 C ATOM 1207 O SER A 82 -8.028 26.725 9.493 1.00 0.00 O ATOM 1208 CB SER A 82 -10.468 24.946 10.157 1.00 0.00 C ATOM 1209 OG SER A 82 -10.859 25.919 11.111 1.00 0.00 O ATOM 0 H SER A 82 -8.758 23.982 8.525 1.00 0.00 H new ATOM 0 HA SER A 82 -10.944 25.917 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.293 24.256 9.978 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.640 24.357 10.552 1.00 0.00 H new ATOM 0 HG SER A 82 -11.122 25.474 11.943 1.00 0.00 H new ATOM 1215 N THR A 83 -9.789 28.012 8.941 1.00 0.00 N ATOM 1216 CA THR A 83 -9.084 29.266 9.174 1.00 0.00 C ATOM 1217 C THR A 83 -10.025 30.331 9.726 1.00 0.00 C ATOM 1218 O THR A 83 -11.246 30.239 9.603 1.00 0.00 O ATOM 1219 CB THR A 83 -8.433 29.793 7.881 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.198 29.379 6.743 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.005 29.286 7.750 1.00 0.00 C ATOM 0 H THR A 83 -10.755 28.122 8.634 1.00 0.00 H new ATOM 0 HA THR A 83 -8.304 29.059 9.907 1.00 0.00 H new ATOM 0 HB THR A 83 -8.413 30.882 7.928 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.150 29.368 6.975 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.565 29.671 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.418 29.627 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.007 28.196 7.723 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.445 31.369 10.348 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.214 32.473 10.930 1.00 0.00 C ATOM 1231 C PRO A 84 -10.867 33.349 9.866 1.00 0.00 C ATOM 1232 O PRO A 84 -11.523 34.341 10.182 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.161 33.268 11.705 1.00 0.00 C ATOM 1234 CG PRO A 84 -7.874 32.961 11.021 1.00 0.00 C ATOM 1235 CD PRO A 84 -7.995 31.544 10.530 1.00 0.00 C ATOM 0 HA PRO A 84 -11.038 32.115 11.548 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.376 34.336 11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.133 32.970 12.753 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.699 33.648 10.193 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.033 33.066 11.706 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.452 31.394 9.597 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.592 30.833 11.251 1.00 0.00 H new ATOM 1243 N SER A 85 -10.683 32.975 8.604 1.00 0.00 N ATOM 1244 CA SER A 85 -11.251 33.730 7.493 1.00 0.00 C ATOM 1245 C SER A 85 -12.290 32.898 6.746 1.00 0.00 C ATOM 1246 O SER A 85 -13.217 33.437 6.145 1.00 0.00 O ATOM 1247 CB SER A 85 -10.147 34.171 6.530 1.00 0.00 C ATOM 1248 OG SER A 85 -10.626 35.139 5.613 1.00 0.00 O ATOM 0 H SER A 85 -10.145 32.154 8.325 1.00 0.00 H new ATOM 0 HA SER A 85 -11.742 34.614 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.311 34.583 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.768 33.306 5.986 1.00 0.00 H new ATOM 0 HG SER A 85 -9.901 35.405 5.010 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.125 31.579 6.790 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.055 30.693 6.115 1.00 0.00 C ATOM 1256 C GLY A 86 -12.636 29.239 6.200 1.00 0.00 C ATOM 1257 O GLY A 86 -11.850 28.863 7.069 1.00 0.00 O ATOM 0 H GLY A 86 -11.364 31.109 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.046 30.809 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.135 30.984 5.068 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.162 28.418 5.296 1.00 0.00 N ATOM 1262 CA GLU A 87 -12.839 26.997 5.276 1.00 0.00 C ATOM 1263 C GLU A 87 -13.130 26.392 3.905 1.00 0.00 C ATOM 1264 O GLU A 87 -14.001 26.868 3.177 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.634 26.254 6.352 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.165 24.827 6.579 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.275 23.920 7.072 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.171 23.588 6.267 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -14.249 23.541 8.262 1.00 0.00 O ATOM 0 H GLU A 87 -13.813 28.713 4.569 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.774 26.890 5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.562 26.805 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.687 26.241 6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.762 24.429 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.352 24.827 7.305 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.394 25.341 3.560 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.573 24.670 2.278 1.00 0.00 C ATOM 1278 C ALA A 88 -12.267 23.181 2.390 1.00 0.00 C ATOM 1279 O ALA A 88 -11.638 22.736 3.351 1.00 0.00 O ATOM 1280 CB ALA A 88 -11.691 25.314 1.218 1.00 0.00 C ATOM 0 H ALA A 88 -11.668 24.935 4.150 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.616 24.778 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.835 24.803 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.960 26.365 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -10.646 25.236 1.518 1.00 0.00 H new ATOM 1286 N THR A 89 -12.716 22.413 1.403 1.00 0.00 N ATOM 1287 CA THR A 89 -12.493 20.973 1.391 1.00 0.00 C ATOM 1288 C THR A 89 -12.249 20.465 -0.025 1.00 0.00 C ATOM 1289 O THR A 89 -12.450 21.192 -0.998 1.00 0.00 O ATOM 1290 CB THR A 89 -13.688 20.214 1.998 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.905 20.636 1.373 1.00 0.00 O ATOM 1292 CG2 THR A 89 -13.773 20.450 3.499 1.00 0.00 C ATOM 0 H THR A 89 -13.237 22.765 0.600 1.00 0.00 H new ATOM 0 HA THR A 89 -11.607 20.786 1.998 1.00 0.00 H new ATOM 0 HB THR A 89 -13.541 19.148 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.660 20.148 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.624 19.904 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.857 20.100 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.899 21.515 3.693 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.816 19.214 -0.134 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.546 18.609 -1.433 1.00 0.00 C ATOM 1302 C TRP A 90 -12.073 17.179 -1.488 1.00 0.00 C ATOM 1303 O TRP A 90 -12.291 16.548 -0.454 1.00 0.00 O ATOM 1304 CB TRP A 90 -10.045 18.624 -1.723 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.720 18.490 -3.180 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -9.538 17.329 -3.876 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.536 19.555 -4.119 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -9.253 17.608 -5.191 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -9.247 18.966 -5.366 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.591 20.948 -4.029 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -9.011 19.724 -6.510 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.357 21.699 -5.165 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -9.071 21.086 -6.393 1.00 0.00 C ATOM 0 H TRP A 90 -11.644 18.599 0.661 1.00 0.00 H new ATOM 0 HA TRP A 90 -12.062 19.195 -2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.619 19.554 -1.347 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.568 17.811 -1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -9.608 16.337 -3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -9.075 16.916 -5.919 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.813 21.429 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.788 19.253 -7.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.395 22.777 -5.106 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.895 21.701 -7.263 1.00 0.00 H new ATOM 1324 N SER A 91 -12.275 16.674 -2.701 1.00 0.00 N ATOM 1325 CA SER A 91 -12.780 15.319 -2.889 1.00 0.00 C ATOM 1326 C SER A 91 -11.663 14.380 -3.335 1.00 0.00 C ATOM 1327 O SER A 91 -11.027 14.600 -4.366 1.00 0.00 O ATOM 1328 CB SER A 91 -13.910 15.312 -3.921 1.00 0.00 C ATOM 1329 OG SER A 91 -13.396 15.366 -5.241 1.00 0.00 O ATOM 0 H SER A 91 -12.097 17.182 -3.567 1.00 0.00 H new ATOM 0 HA SER A 91 -13.168 14.966 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.513 14.412 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.569 16.163 -3.749 1.00 0.00 H new ATOM 0 HG SER A 91 -12.417 15.349 -5.212 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.430 13.333 -2.551 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.392 12.360 -2.864 1.00 0.00 C ATOM 1337 C ALA A 92 -10.800 10.959 -2.419 1.00 0.00 C ATOM 1338 O ALA A 92 -11.493 10.794 -1.415 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.077 12.761 -2.211 1.00 0.00 C ATOM 0 H ALA A 92 -11.947 13.137 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.258 12.345 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.311 12.025 -2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.770 13.739 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.207 12.807 -1.130 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.368 9.955 -3.173 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.691 8.568 -2.858 1.00 0.00 C ATOM 1347 C TYR A 93 -9.494 7.658 -3.114 1.00 0.00 C ATOM 1348 O TYR A 93 -8.761 7.837 -4.087 1.00 0.00 O ATOM 1349 CB TYR A 93 -11.888 8.101 -3.687 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.615 6.918 -3.088 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -12.004 5.673 -3.001 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.913 7.045 -2.608 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.664 4.589 -2.456 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.580 5.967 -2.060 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.952 4.741 -1.986 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.613 3.665 -1.440 1.00 0.00 O ATOM 0 H TYR A 93 -9.793 10.075 -4.007 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.946 8.512 -1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.588 8.929 -3.797 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.546 7.838 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.995 5.551 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.409 8.003 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.175 3.628 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.588 6.083 -1.691 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.510 3.941 -1.157 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.303 6.681 -2.234 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.197 5.741 -2.364 1.00 0.00 C ATOM 1368 C ILE A 94 -8.697 4.300 -2.362 1.00 0.00 C ATOM 1369 O ILE A 94 -9.380 3.872 -1.433 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.171 5.918 -1.229 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.713 7.376 -1.149 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -5.981 4.995 -1.443 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.922 7.829 -2.356 1.00 0.00 C ATOM 0 H ILE A 94 -9.900 6.520 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.713 5.954 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.646 5.654 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.587 8.017 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.104 7.508 -0.255 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.264 5.131 -0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.321 3.960 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.503 5.232 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.631 8.872 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.029 7.213 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.536 7.730 -3.251 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.349 3.558 -3.408 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.762 2.164 -3.526 1.00 0.00 C ATOM 1387 C GLU A 95 -7.589 1.225 -3.259 1.00 0.00 C ATOM 1388 O GLU A 95 -6.446 1.528 -3.600 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.338 1.895 -4.918 1.00 0.00 C ATOM 1390 CG GLU A 95 -9.988 0.529 -5.054 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.386 0.487 -4.468 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -12.101 1.506 -4.564 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -11.765 -0.565 -3.912 1.00 0.00 O ATOM 0 H GLU A 95 -7.783 3.898 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.533 1.976 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.075 2.663 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.540 1.983 -5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.032 0.255 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.367 -0.216 -4.556 1.00 0.00 H new ATOM 1400 N VAL A 96 -7.881 0.082 -2.645 1.00 0.00 N ATOM 1401 CA VAL A 96 -6.852 -0.902 -2.332 1.00 0.00 C ATOM 1402 C VAL A 96 -7.107 -2.215 -3.064 1.00 0.00 C ATOM 1403 O VAL A 96 -8.032 -2.954 -2.728 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.781 -1.177 -0.818 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.714 -2.219 -0.514 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.511 0.111 -0.055 1.00 0.00 C ATOM 0 H VAL A 96 -8.822 -0.185 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.902 -0.483 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.744 -1.571 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.678 -2.400 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.955 -3.148 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.744 -1.856 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.464 -0.102 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.562 0.536 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.313 0.823 -0.248 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.280 -2.498 -4.066 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.417 -3.722 -4.846 1.00 0.00 C ATOM 1418 C GLN A 97 -5.513 -4.821 -4.296 1.00 0.00 C ATOM 1419 O GLN A 97 -4.370 -4.566 -3.921 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.081 -3.456 -6.314 1.00 0.00 C ATOM 1421 CG GLN A 97 -6.902 -2.336 -6.933 1.00 0.00 C ATOM 1422 CD GLN A 97 -8.392 -2.612 -6.889 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -8.820 -3.731 -6.605 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -9.192 -1.590 -7.170 1.00 0.00 N ATOM 0 H GLN A 97 -5.509 -1.897 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.452 -4.057 -4.772 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.023 -3.208 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.240 -4.370 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.693 -1.404 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.593 -2.194 -7.969 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.794 -0.679 -7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -10.204 -1.716 -7.156 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.036 -6.043 -4.252 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.275 -7.180 -3.747 1.00 0.00 C ATOM 1435 C GLU A 98 -4.560 -7.904 -4.884 1.00 0.00 C ATOM 1436 O GLU A 98 -5.163 -8.219 -5.910 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.198 -8.152 -3.009 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.465 -9.089 -2.065 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.386 -10.112 -1.427 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -6.958 -10.937 -2.168 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -6.533 -10.087 -0.187 1.00 0.00 O ATOM 0 H GLU A 98 -6.982 -6.270 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.525 -6.803 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.934 -7.582 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.748 -8.744 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.677 -9.606 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.980 -8.505 -1.283 1.00 0.00 H new ATOM 1448 N PHE A 99 -3.271 -8.165 -4.693 1.00 0.00 N ATOM 1449 CA PHE A 99 -2.472 -8.851 -5.702 1.00 0.00 C ATOM 1450 C PHE A 99 -1.326 -9.623 -5.056 1.00 0.00 C ATOM 1451 O PHE A 99 -0.443 -9.037 -4.431 1.00 0.00 O ATOM 1452 CB PHE A 99 -1.919 -7.846 -6.715 1.00 0.00 C ATOM 1453 CG PHE A 99 -2.972 -7.248 -7.603 1.00 0.00 C ATOM 1454 CD1 PHE A 99 -3.703 -8.047 -8.467 1.00 0.00 C ATOM 1455 CD2 PHE A 99 -3.232 -5.888 -7.574 1.00 0.00 C ATOM 1456 CE1 PHE A 99 -4.672 -7.500 -9.286 1.00 0.00 C ATOM 1457 CE2 PHE A 99 -4.200 -5.334 -8.390 1.00 0.00 C ATOM 1458 CZ PHE A 99 -4.922 -6.142 -9.247 1.00 0.00 C ATOM 0 H PHE A 99 -2.757 -7.912 -3.849 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.117 -9.560 -6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.410 -7.045 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.171 -8.341 -7.334 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.513 -9.110 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.671 -5.252 -6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.234 -8.134 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.392 -4.272 -8.358 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.680 -5.713 -9.885 1.00 0.00 H new ATOM 1468 N GLY A 100 -1.347 -10.943 -5.211 1.00 0.00 N ATOM 1469 CA GLY A 100 -0.306 -11.775 -4.637 1.00 0.00 C ATOM 1470 C GLY A 100 0.206 -11.234 -3.316 1.00 0.00 C ATOM 1471 O GLY A 100 1.400 -10.977 -3.163 1.00 0.00 O ATOM 0 H GLY A 100 -2.067 -11.451 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.692 -12.783 -4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.523 -11.852 -5.341 1.00 0.00 H new ATOM 1475 N VAL A 101 -0.700 -11.059 -2.359 1.00 0.00 N ATOM 1476 CA VAL A 101 -0.334 -10.544 -1.045 1.00 0.00 C ATOM 1477 C VAL A 101 0.170 -11.661 -0.139 1.00 0.00 C ATOM 1478 O VAL A 101 -0.484 -12.688 0.046 1.00 0.00 O ATOM 1479 CB VAL A 101 -1.525 -9.844 -0.365 1.00 0.00 C ATOM 1480 CG1 VAL A 101 -1.174 -9.461 1.065 1.00 0.00 C ATOM 1481 CG2 VAL A 101 -1.950 -8.621 -1.164 1.00 0.00 C ATOM 0 H VAL A 101 -1.693 -11.266 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 101 0.464 -9.818 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.364 -10.539 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.028 -8.968 1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.922 -10.358 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.321 -8.783 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.793 -8.138 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.117 -7.921 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.245 -8.927 -2.168 1.00 0.00 H new ATOM 1491 N PRO A 102 1.362 -11.459 0.443 1.00 0.00 N ATOM 1492 CA PRO A 102 1.981 -12.438 1.342 1.00 0.00 C ATOM 1493 C PRO A 102 1.242 -12.553 2.671 1.00 0.00 C ATOM 1494 O PRO A 102 0.627 -11.592 3.135 1.00 0.00 O ATOM 1495 CB PRO A 102 3.389 -11.880 1.559 1.00 0.00 C ATOM 1496 CG PRO A 102 3.256 -10.415 1.324 1.00 0.00 C ATOM 1497 CD PRO A 102 2.197 -10.259 0.268 1.00 0.00 C ATOM 0 HA PRO A 102 1.967 -13.444 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.746 -12.088 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.103 -12.328 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.973 -9.897 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 102 4.202 -9.985 0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.621 -9.344 0.409 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.630 -10.213 -0.731 1.00 0.00 H new ATOM 1505 N VAL A 103 1.307 -13.733 3.279 1.00 0.00 N ATOM 1506 CA VAL A 103 0.645 -13.972 4.556 1.00 0.00 C ATOM 1507 C VAL A 103 1.577 -14.680 5.533 1.00 0.00 C ATOM 1508 O VAL A 103 1.741 -15.899 5.476 1.00 0.00 O ATOM 1509 CB VAL A 103 -0.631 -14.815 4.378 1.00 0.00 C ATOM 1510 CG1 VAL A 103 -1.298 -15.065 5.721 1.00 0.00 C ATOM 1511 CG2 VAL A 103 -1.591 -14.131 3.416 1.00 0.00 C ATOM 0 H VAL A 103 1.811 -14.538 2.908 1.00 0.00 H new ATOM 0 HA VAL A 103 0.373 -12.997 4.959 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.352 -15.779 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.198 -15.662 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.610 -15.600 6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.565 -14.112 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.487 -14.740 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.865 -13.152 3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.109 -14.009 2.446 1.00 0.00 H new ATOM 1521 N GLN A 104 2.183 -13.908 6.429 1.00 0.00 N ATOM 1522 CA GLN A 104 3.099 -14.463 7.419 1.00 0.00 C ATOM 1523 C GLN A 104 2.553 -14.274 8.831 1.00 0.00 C ATOM 1524 O GLN A 104 2.014 -13.223 9.179 1.00 0.00 O ATOM 1525 CB GLN A 104 4.474 -13.804 7.298 1.00 0.00 C ATOM 1526 CG GLN A 104 4.443 -12.294 7.476 1.00 0.00 C ATOM 1527 CD GLN A 104 4.575 -11.874 8.926 1.00 0.00 C ATOM 1528 OE1 GLN A 104 5.321 -12.481 9.695 1.00 0.00 O ATOM 1529 NE2 GLN A 104 3.850 -10.830 9.309 1.00 0.00 N ATOM 0 H GLN A 104 2.057 -12.898 6.490 1.00 0.00 H new ATOM 0 HA GLN A 104 3.198 -15.531 7.228 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.141 -14.236 8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.895 -14.038 6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.252 -11.847 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.509 -11.904 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.245 -10.356 8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 104 3.898 -10.502 10.274 1.00 0.00 H new ATOM 1538 N PRO A 105 2.695 -15.315 9.665 1.00 0.00 N ATOM 1539 CA PRO A 105 2.223 -15.288 11.052 1.00 0.00 C ATOM 1540 C PRO A 105 3.047 -14.349 11.927 1.00 0.00 C ATOM 1541 O PRO A 105 4.135 -13.910 11.554 1.00 0.00 O ATOM 1542 CB PRO A 105 2.395 -16.737 11.514 1.00 0.00 C ATOM 1543 CG PRO A 105 3.475 -17.285 10.647 1.00 0.00 C ATOM 1544 CD PRO A 105 3.328 -16.598 9.317 1.00 0.00 C ATOM 0 HA PRO A 105 1.199 -14.921 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.670 -16.787 12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.470 -17.302 11.399 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.457 -17.093 11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.379 -18.366 10.541 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.293 -16.452 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.711 -17.178 8.631 1.00 0.00 H new ATOM 1552 N PRO A 106 2.520 -14.034 13.119 1.00 0.00 N ATOM 1553 CA PRO A 106 3.191 -13.145 14.072 1.00 0.00 C ATOM 1554 C PRO A 106 4.436 -13.782 14.681 1.00 0.00 C ATOM 1555 O PRO A 106 4.640 -14.991 14.575 1.00 0.00 O ATOM 1556 CB PRO A 106 2.129 -12.911 15.148 1.00 0.00 C ATOM 1557 CG PRO A 106 1.245 -14.108 15.074 1.00 0.00 C ATOM 1558 CD PRO A 106 1.227 -14.521 13.629 1.00 0.00 C ATOM 0 HA PRO A 106 3.544 -12.230 13.597 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.581 -12.813 16.135 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.570 -11.994 14.960 1.00 0.00 H new ATOM 0 HG2 PRO A 106 1.624 -14.912 15.705 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.240 -13.873 15.425 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.134 -15.602 13.521 1.00 0.00 H new ATOM 0 HD3 PRO A 106 0.390 -14.074 13.094 1.00 0.00 H new ATOM 1566 N ARG A 107 5.263 -12.961 15.319 1.00 0.00 N ATOM 1567 CA ARG A 107 6.487 -13.445 15.945 1.00 0.00 C ATOM 1568 C ARG A 107 6.337 -13.501 17.463 1.00 0.00 C ATOM 1569 O ARG A 107 6.364 -12.481 18.152 1.00 0.00 O ATOM 1570 CB ARG A 107 7.666 -12.544 15.572 1.00 0.00 C ATOM 1571 CG ARG A 107 8.710 -12.421 16.670 1.00 0.00 C ATOM 1572 CD ARG A 107 10.003 -11.818 16.144 1.00 0.00 C ATOM 1573 NE ARG A 107 10.943 -11.514 17.220 1.00 0.00 N ATOM 1574 CZ ARG A 107 12.078 -10.849 17.039 1.00 0.00 C ATOM 1575 NH1 ARG A 107 12.414 -10.422 15.829 1.00 0.00 N ATOM 1576 NH2 ARG A 107 12.881 -10.611 18.068 1.00 0.00 N ATOM 0 H ARG A 107 5.108 -11.958 15.416 1.00 0.00 H new ATOM 0 HA ARG A 107 6.678 -14.454 15.579 1.00 0.00 H new ATOM 0 HB2 ARG A 107 8.141 -12.936 14.673 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.290 -11.551 15.327 1.00 0.00 H new ATOM 0 HG2 ARG A 107 8.320 -11.801 17.477 1.00 0.00 H new ATOM 0 HG3 ARG A 107 8.912 -13.405 17.094 1.00 0.00 H new ATOM 0 HD2 ARG A 107 10.467 -12.511 15.442 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.779 -10.906 15.590 1.00 0.00 H new ATOM 0 HE ARG A 107 10.715 -11.830 18.163 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.800 -10.604 15.035 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.286 -9.911 15.692 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.627 -10.939 19.000 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.753 -10.100 17.927 1.00 0.00 H new ATOM 1590 N PRO A 108 6.175 -14.721 17.997 1.00 0.00 N ATOM 1591 CA PRO A 108 6.017 -14.940 19.438 1.00 0.00 C ATOM 1592 C PRO A 108 7.303 -14.665 20.210 1.00 0.00 C ATOM 1593 O PRO A 108 8.323 -15.320 19.991 1.00 0.00 O ATOM 1594 CB PRO A 108 5.642 -16.420 19.533 1.00 0.00 C ATOM 1595 CG PRO A 108 6.215 -17.036 18.303 1.00 0.00 C ATOM 1596 CD PRO A 108 6.134 -15.980 17.235 1.00 0.00 C ATOM 0 HA PRO A 108 5.276 -14.270 19.873 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.055 -16.876 20.433 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.561 -16.553 19.575 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.247 -17.347 18.467 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.655 -17.926 18.015 1.00 0.00 H new ATOM 0 HD2 PRO A 108 6.965 -16.053 16.534 1.00 0.00 H new ATOM 0 HD3 PRO A 108 5.217 -16.067 16.652 1.00 0.00 H new ATOM 1604 N THR A 109 7.248 -13.693 21.115 1.00 0.00 N ATOM 1605 CA THR A 109 8.409 -13.331 21.919 1.00 0.00 C ATOM 1606 C THR A 109 7.997 -12.945 23.335 1.00 0.00 C ATOM 1607 O THR A 109 7.265 -11.977 23.537 1.00 0.00 O ATOM 1608 CB THR A 109 9.188 -12.163 21.287 1.00 0.00 C ATOM 1609 OG1 THR A 109 10.414 -11.951 21.997 1.00 0.00 O ATOM 1610 CG2 THR A 109 8.360 -10.887 21.304 1.00 0.00 C ATOM 0 H THR A 109 6.412 -13.142 21.310 1.00 0.00 H new ATOM 0 HA THR A 109 9.054 -14.209 21.957 1.00 0.00 H new ATOM 0 HB THR A 109 9.408 -12.421 20.251 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.905 -11.208 21.588 1.00 0.00 H new ATOM 0 HG21 THR A 109 8.932 -10.076 20.852 1.00 0.00 H new ATOM 0 HG22 THR A 109 7.441 -11.042 20.739 1.00 0.00 H new ATOM 0 HG23 THR A 109 8.113 -10.627 22.333 1.00 0.00 H new ATOM 1618 N ASP A 110 8.474 -13.708 24.313 1.00 0.00 N ATOM 1619 CA ASP A 110 8.156 -13.445 25.712 1.00 0.00 C ATOM 1620 C ASP A 110 9.368 -12.879 26.446 1.00 0.00 C ATOM 1621 O ASP A 110 10.146 -13.606 27.064 1.00 0.00 O ATOM 1622 CB ASP A 110 7.681 -14.726 26.399 1.00 0.00 C ATOM 1623 CG ASP A 110 8.517 -15.932 26.019 1.00 0.00 C ATOM 1624 OD1 ASP A 110 9.651 -15.738 25.534 1.00 0.00 O ATOM 1625 OD2 ASP A 110 8.037 -17.070 26.206 1.00 0.00 O ATOM 0 H ASP A 110 9.082 -14.513 24.163 1.00 0.00 H new ATOM 0 HA ASP A 110 7.355 -12.706 25.745 1.00 0.00 H new ATOM 0 HB2 ASP A 110 7.716 -14.589 27.480 1.00 0.00 H new ATOM 0 HB3 ASP A 110 6.640 -14.912 26.135 1.00 0.00 H new ATOM 1630 N PRO A 111 9.533 -11.549 26.379 1.00 0.00 N ATOM 1631 CA PRO A 111 10.648 -10.856 27.031 1.00 0.00 C ATOM 1632 C PRO A 111 10.524 -10.861 28.551 1.00 0.00 C ATOM 1633 O PRO A 111 11.526 -10.878 29.264 1.00 0.00 O ATOM 1634 CB PRO A 111 10.542 -9.428 26.491 1.00 0.00 C ATOM 1635 CG PRO A 111 9.107 -9.267 26.123 1.00 0.00 C ATOM 1636 CD PRO A 111 8.644 -10.621 25.660 1.00 0.00 C ATOM 0 HA PRO A 111 11.604 -11.336 26.822 1.00 0.00 H new ATOM 0 HB2 PRO A 111 10.842 -8.698 27.242 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.191 -9.282 25.627 1.00 0.00 H new ATOM 0 HG2 PRO A 111 8.521 -8.925 26.976 1.00 0.00 H new ATOM 0 HG3 PRO A 111 8.987 -8.523 25.335 1.00 0.00 H new ATOM 0 HD2 PRO A 111 7.597 -10.794 25.908 1.00 0.00 H new ATOM 0 HD3 PRO A 111 8.738 -10.730 24.580 1.00 0.00 H new ATOM 1644 N ASN A 112 9.288 -10.848 29.039 1.00 0.00 N ATOM 1645 CA ASN A 112 9.034 -10.851 30.475 1.00 0.00 C ATOM 1646 C ASN A 112 8.867 -12.276 30.995 1.00 0.00 C ATOM 1647 O ASN A 112 8.131 -12.516 31.953 1.00 0.00 O ATOM 1648 CB ASN A 112 7.784 -10.029 30.795 1.00 0.00 C ATOM 1649 CG ASN A 112 8.099 -8.565 31.033 1.00 0.00 C ATOM 1650 OD1 ASN A 112 9.030 -8.015 30.444 1.00 0.00 O ATOM 1651 ND2 ASN A 112 7.323 -7.927 31.901 1.00 0.00 N ATOM 0 H ASN A 112 8.447 -10.835 28.462 1.00 0.00 H new ATOM 0 HA ASN A 112 9.893 -10.400 30.972 1.00 0.00 H new ATOM 0 HB2 ASN A 112 7.075 -10.116 29.972 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.298 -10.441 31.679 1.00 0.00 H new ATOM 0 HD21 ASN A 112 7.487 -6.941 32.103 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.563 -8.423 32.366 1.00 0.00 H new ATOM 1658 N LEU A 113 9.555 -13.216 30.357 1.00 0.00 N ATOM 1659 CA LEU A 113 9.483 -14.618 30.755 1.00 0.00 C ATOM 1660 C LEU A 113 10.686 -15.004 31.610 1.00 0.00 C ATOM 1661 O LEU A 113 11.830 -14.711 31.258 1.00 0.00 O ATOM 1662 CB LEU A 113 9.413 -15.516 29.519 1.00 0.00 C ATOM 1663 CG LEU A 113 9.836 -16.972 29.722 1.00 0.00 C ATOM 1664 CD1 LEU A 113 8.701 -17.777 30.335 1.00 0.00 C ATOM 1665 CD2 LEU A 113 10.278 -17.588 28.402 1.00 0.00 C ATOM 0 H LEU A 113 10.168 -13.034 29.563 1.00 0.00 H new ATOM 0 HA LEU A 113 8.579 -14.756 31.349 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.390 -15.505 29.144 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.042 -15.081 28.742 1.00 0.00 H new ATOM 0 HG LEU A 113 10.681 -16.992 30.410 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.020 -18.810 30.472 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.432 -17.349 31.301 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.836 -17.749 29.672 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.575 -18.624 28.565 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.453 -17.555 27.691 1.00 0.00 H new ATOM 0 HD23 LEU A 113 11.123 -17.027 28.003 1.00 0.00 H new ATOM 1677 N ILE A 114 10.421 -15.663 32.732 1.00 0.00 N ATOM 1678 CA ILE A 114 11.482 -16.091 33.635 1.00 0.00 C ATOM 1679 C ILE A 114 12.689 -16.608 32.859 1.00 0.00 C ATOM 1680 O ILE A 114 12.561 -17.214 31.795 1.00 0.00 O ATOM 1681 CB ILE A 114 10.994 -17.192 34.596 1.00 0.00 C ATOM 1682 CG1 ILE A 114 10.711 -18.483 33.825 1.00 0.00 C ATOM 1683 CG2 ILE A 114 9.751 -16.731 35.342 1.00 0.00 C ATOM 1684 CD1 ILE A 114 11.924 -19.373 33.672 1.00 0.00 C ATOM 0 H ILE A 114 9.480 -15.912 33.038 1.00 0.00 H new ATOM 0 HA ILE A 114 11.774 -15.216 34.216 1.00 0.00 H new ATOM 0 HB ILE A 114 11.779 -17.391 35.326 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.925 -19.038 34.338 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.329 -18.230 32.836 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.418 -17.520 36.017 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.983 -15.835 35.917 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.959 -16.508 34.627 1.00 0.00 H new ATOM 0 HD11 ILE A 114 11.650 -20.269 33.116 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.704 -18.836 33.132 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.294 -19.656 34.657 1.00 0.00 H new ATOM 1696 N PRO A 115 13.891 -16.365 33.404 1.00 0.00 N ATOM 1697 CA PRO A 115 15.144 -16.799 32.780 1.00 0.00 C ATOM 1698 C PRO A 115 15.321 -18.313 32.826 1.00 0.00 C ATOM 1699 O PRO A 115 15.574 -18.886 33.886 1.00 0.00 O ATOM 1700 CB PRO A 115 16.218 -16.110 33.626 1.00 0.00 C ATOM 1701 CG PRO A 115 15.575 -15.892 34.952 1.00 0.00 C ATOM 1702 CD PRO A 115 14.118 -15.648 34.670 1.00 0.00 C ATOM 0 HA PRO A 115 15.183 -16.540 31.722 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.110 -16.731 33.716 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.530 -15.167 33.178 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.708 -16.760 35.598 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.021 -15.041 35.467 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.484 -16.033 35.469 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.900 -14.584 34.574 1.00 0.00 H new ATOM 1710 N SER A 116 15.185 -18.955 31.670 1.00 0.00 N ATOM 1711 CA SER A 116 15.326 -20.404 31.580 1.00 0.00 C ATOM 1712 C SER A 116 16.538 -20.882 32.373 1.00 0.00 C ATOM 1713 O SER A 116 17.608 -20.276 32.319 1.00 0.00 O ATOM 1714 CB SER A 116 15.457 -20.834 30.118 1.00 0.00 C ATOM 1715 OG SER A 116 14.269 -20.557 29.396 1.00 0.00 O ATOM 0 H SER A 116 14.978 -18.495 30.783 1.00 0.00 H new ATOM 0 HA SER A 116 14.432 -20.859 32.007 1.00 0.00 H new ATOM 0 HB2 SER A 116 16.296 -20.314 29.657 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.676 -21.900 30.068 1.00 0.00 H new ATOM 0 HG SER A 116 14.379 -20.840 28.464 1.00 0.00 H new ATOM 1721 N ALA A 117 16.362 -21.975 33.110 1.00 0.00 N ATOM 1722 CA ALA A 117 17.441 -22.537 33.913 1.00 0.00 C ATOM 1723 C ALA A 117 17.739 -23.975 33.503 1.00 0.00 C ATOM 1724 O ALA A 117 16.856 -24.719 33.075 1.00 0.00 O ATOM 1725 CB ALA A 117 17.088 -22.470 35.391 1.00 0.00 C ATOM 0 H ALA A 117 15.482 -22.488 33.167 1.00 0.00 H new ATOM 0 HA ALA A 117 18.338 -21.944 33.737 1.00 0.00 H new ATOM 0 HB1 ALA A 117 17.902 -22.893 35.979 1.00 0.00 H new ATOM 0 HB2 ALA A 117 16.932 -21.431 35.681 1.00 0.00 H new ATOM 0 HB3 ALA A 117 16.176 -23.038 35.573 1.00 0.00 H new ATOM 1731 N PRO A 118 19.011 -24.377 33.634 1.00 0.00 N ATOM 1732 CA PRO A 118 19.455 -25.729 33.282 1.00 0.00 C ATOM 1733 C PRO A 118 18.919 -26.784 34.244 1.00 0.00 C ATOM 1734 O PRO A 118 18.030 -27.561 33.897 1.00 0.00 O ATOM 1735 CB PRO A 118 20.980 -25.639 33.381 1.00 0.00 C ATOM 1736 CG PRO A 118 21.232 -24.529 34.342 1.00 0.00 C ATOM 1737 CD PRO A 118 20.116 -23.543 34.137 1.00 0.00 C ATOM 0 HA PRO A 118 19.096 -26.033 32.299 1.00 0.00 H new ATOM 0 HB2 PRO A 118 21.410 -26.576 33.736 1.00 0.00 H new ATOM 0 HB3 PRO A 118 21.428 -25.431 32.409 1.00 0.00 H new ATOM 0 HG2 PRO A 118 21.245 -24.896 35.368 1.00 0.00 H new ATOM 0 HG3 PRO A 118 22.201 -24.065 34.158 1.00 0.00 H new ATOM 0 HD2 PRO A 118 19.849 -23.040 35.066 1.00 0.00 H new ATOM 0 HD3 PRO A 118 20.391 -22.767 33.422 1.00 0.00 H new TER 1745 PRO A 118