USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 737 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 73 ASN : amide:sc= -3.18! C(o=-2!,f=-4.9!) USER MOD Set 1.2: A 75 TYR OH : rot -148:sc= 1.17 USER MOD Set 2.1: A 18 GLN : amide:sc= 0.543 K(o=0.6,f=-1.5) USER MOD Set 2.2: A 64 ASN : amide:sc= 0.058 K(o=0.6,f=-2.3) USER MOD Set 3.1: A 32 LYS NZ :NH3+ 159:sc= 0.948 (180deg=0) USER MOD Set 3.2: A 82 SER OG : rot -105:sc= 0.978 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.218 (180deg=-0.839) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.2) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 74:sc= -0.0768 USER MOD Single : A 31 TYR OH : rot -140:sc= -0.0933 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.0592 (180deg=-0.408) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0479 F(o=-0.74,f=-0.048) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.8!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.77 USER MOD Single : A 70 SER OG : rot 16:sc= 0.172 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00577 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 87 THR OG1 : rot -25:sc= 0.724 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 96 THR OG1 : rot -88:sc= 0.724 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= 0.315 (180deg=-3.58!) USER MOD Single : A 101 HIS : no HD1:sc=-0.00516 X(o=-0.0052,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.153 -0.494 3.756 1.00 1.09 N ATOM 2 CA MET A 1 16.901 -0.967 4.386 1.00 0.39 C ATOM 3 C MET A 1 15.697 -0.259 3.784 1.00 0.30 C ATOM 4 O MET A 1 15.664 0.971 3.708 1.00 0.45 O ATOM 5 CB MET A 1 16.935 -0.713 5.895 1.00 1.38 C ATOM 6 CG MET A 1 15.655 -1.124 6.608 1.00 2.13 C ATOM 7 SD MET A 1 15.642 -0.663 8.351 1.00 3.23 S ATOM 8 CE MET A 1 15.732 1.124 8.235 1.00 3.75 C ATOM 0 H1 MET A 1 18.964 -0.989 4.180 1.00 1.09 H new ATOM 0 H2 MET A 1 18.123 -0.690 2.735 1.00 1.09 H new ATOM 0 H3 MET A 1 18.254 0.530 3.909 1.00 1.09 H new ATOM 0 HA MET A 1 16.814 -2.038 4.201 1.00 0.39 H new ATOM 0 HB2 MET A 1 17.774 -1.257 6.328 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.117 0.347 6.073 1.00 1.38 H new ATOM 0 HG2 MET A 1 14.803 -0.662 6.109 1.00 2.13 H new ATOM 0 HG3 MET A 1 15.528 -2.203 6.522 1.00 2.13 H new ATOM 0 HE1 MET A 1 15.350 1.568 9.154 1.00 3.75 H new ATOM 0 HE2 MET A 1 16.769 1.427 8.089 1.00 3.75 H new ATOM 0 HE3 MET A 1 15.132 1.464 7.391 1.00 3.75 H new ATOM 20 N VAL A 2 14.710 -1.032 3.355 1.00 0.15 N ATOM 21 CA VAL A 2 13.463 -0.465 2.882 1.00 0.10 C ATOM 22 C VAL A 2 12.447 -0.401 4.033 1.00 0.09 C ATOM 23 O VAL A 2 12.535 -1.159 4.998 1.00 0.12 O ATOM 24 CB VAL A 2 12.869 -1.259 1.689 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.644 -0.561 1.161 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.876 -1.415 0.568 1.00 0.09 C ATOM 0 H VAL A 2 14.751 -2.051 3.326 1.00 0.15 H new ATOM 0 HA VAL A 2 13.678 0.542 2.524 1.00 0.10 H new ATOM 0 HB VAL A 2 12.603 -2.251 2.055 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.235 -1.127 0.324 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.896 -0.491 1.951 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.912 0.441 0.825 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.425 -1.976 -0.251 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.178 -0.431 0.210 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.751 -1.951 0.937 1.00 0.09 H new ATOM 36 N GLN A 3 11.518 0.530 3.919 1.00 0.09 N ATOM 37 CA GLN A 3 10.480 0.786 4.900 1.00 0.10 C ATOM 38 C GLN A 3 9.137 0.613 4.221 1.00 0.11 C ATOM 39 O GLN A 3 9.078 0.550 2.996 1.00 0.17 O ATOM 40 CB GLN A 3 10.601 2.230 5.388 1.00 0.16 C ATOM 41 CG GLN A 3 11.862 2.548 6.119 1.00 0.79 C ATOM 42 CD GLN A 3 12.038 4.022 6.401 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.560 4.537 7.409 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.753 4.706 5.524 1.00 2.03 N ATOM 0 H GLN A 3 11.464 1.151 3.112 1.00 0.09 H new ATOM 0 HA GLN A 3 10.576 0.102 5.743 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.520 2.895 4.529 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.756 2.448 6.041 1.00 0.16 H new ATOM 0 HG2 GLN A 3 11.874 2.001 7.062 1.00 0.79 H new ATOM 0 HG3 GLN A 3 12.711 2.194 5.534 1.00 0.79 H new ATOM 0 HE21 GLN A 3 13.132 4.239 4.700 1.00 2.03 H new ATOM 0 HE22 GLN A 3 12.926 5.700 5.672 1.00 2.03 H new ATOM 53 N CYS A 4 8.059 0.542 4.981 1.00 0.12 N ATOM 54 CA CYS A 4 6.764 0.388 4.355 1.00 0.13 C ATOM 55 C CYS A 4 5.636 0.940 5.215 1.00 0.17 C ATOM 56 O CYS A 4 5.667 0.878 6.446 1.00 0.29 O ATOM 57 CB CYS A 4 6.514 -1.080 4.016 1.00 0.17 C ATOM 58 SG CYS A 4 5.689 -2.033 5.327 1.00 0.30 S ATOM 0 H CYS A 4 8.053 0.587 6.000 1.00 0.12 H new ATOM 0 HA CYS A 4 6.775 0.972 3.435 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.908 -1.132 3.112 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.469 -1.554 3.787 1.00 0.17 H new ATOM 63 N GLU A 5 4.660 1.487 4.521 1.00 0.14 N ATOM 64 CA GLU A 5 3.447 2.037 5.086 1.00 0.16 C ATOM 65 C GLU A 5 2.311 1.689 4.141 1.00 0.15 C ATOM 66 O GLU A 5 2.542 1.109 3.081 1.00 0.17 O ATOM 67 CB GLU A 5 3.540 3.560 5.223 1.00 0.24 C ATOM 68 CG GLU A 5 4.606 4.041 6.191 1.00 0.33 C ATOM 69 CD GLU A 5 4.317 3.641 7.625 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.131 3.455 7.970 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.274 3.500 8.417 1.00 1.87 O ATOM 0 H GLU A 5 4.692 1.563 3.504 1.00 0.14 H new ATOM 0 HA GLU A 5 3.285 1.623 6.081 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.739 3.989 4.241 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.573 3.943 5.548 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.572 3.635 5.892 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.684 5.126 6.129 1.00 0.33 H new ATOM 78 N VAL A 6 1.099 2.034 4.507 1.00 0.17 N ATOM 79 CA VAL A 6 -0.053 1.721 3.700 1.00 0.18 C ATOM 80 C VAL A 6 -0.969 2.918 3.605 1.00 0.21 C ATOM 81 O VAL A 6 -1.183 3.634 4.586 1.00 0.33 O ATOM 82 CB VAL A 6 -0.813 0.529 4.275 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.212 -0.777 3.779 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.775 0.596 5.789 1.00 0.20 C ATOM 0 H VAL A 6 0.886 2.537 5.368 1.00 0.17 H new ATOM 0 HA VAL A 6 0.296 1.460 2.701 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.850 0.567 3.941 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.767 -1.616 4.199 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.268 -0.813 2.691 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.831 -0.839 4.091 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.317 -0.254 6.205 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.260 0.567 6.129 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.241 1.523 6.124 1.00 0.20 H new ATOM 94 N GLU A 7 -1.486 3.139 2.416 1.00 0.16 N ATOM 95 CA GLU A 7 -2.278 4.322 2.139 1.00 0.16 C ATOM 96 C GLU A 7 -3.497 4.005 1.297 1.00 0.16 C ATOM 97 O GLU A 7 -3.507 3.070 0.504 1.00 0.28 O ATOM 98 CB GLU A 7 -1.434 5.360 1.392 1.00 0.26 C ATOM 99 CG GLU A 7 -0.028 5.498 1.927 1.00 0.24 C ATOM 100 CD GLU A 7 0.280 6.903 2.396 1.00 1.05 C ATOM 101 OE1 GLU A 7 -0.002 7.212 3.570 1.00 1.11 O ATOM 102 OE2 GLU A 7 0.803 7.709 1.595 1.00 2.01 O ATOM 0 H GLU A 7 -1.372 2.512 1.620 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.608 4.714 3.101 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.387 5.087 0.338 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.931 6.328 1.448 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.111 4.803 2.755 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.682 5.214 1.150 1.00 0.24 H new ATOM 109 N ALA A 8 -4.516 4.810 1.479 1.00 0.14 N ATOM 110 CA ALA A 8 -5.680 4.772 0.633 1.00 0.12 C ATOM 111 C ALA A 8 -5.953 6.187 0.139 1.00 0.15 C ATOM 112 O ALA A 8 -6.107 7.105 0.944 1.00 0.17 O ATOM 113 CB ALA A 8 -6.854 4.237 1.420 1.00 0.13 C ATOM 0 H ALA A 8 -4.560 5.510 2.219 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.519 4.116 -0.223 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.737 4.207 0.781 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.627 3.231 1.773 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -7.046 4.886 2.274 1.00 0.13 H new ATOM 119 N ALA A 9 -6.012 6.369 -1.163 1.00 0.16 N ATOM 120 CA ALA A 9 -6.165 7.696 -1.737 1.00 0.19 C ATOM 121 C ALA A 9 -7.550 7.868 -2.333 1.00 0.19 C ATOM 122 O ALA A 9 -7.843 7.353 -3.409 1.00 0.20 O ATOM 123 CB ALA A 9 -5.098 7.930 -2.794 1.00 0.22 C ATOM 0 H ALA A 9 -5.957 5.615 -1.848 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.044 8.434 -0.944 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.219 8.926 -3.219 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.111 7.847 -2.339 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.197 7.184 -3.583 1.00 0.22 H new ATOM 129 N VAL A 10 -8.398 8.599 -1.640 1.00 0.22 N ATOM 130 CA VAL A 10 -9.753 8.804 -2.108 1.00 0.23 C ATOM 131 C VAL A 10 -9.811 9.897 -3.157 1.00 0.27 C ATOM 132 O VAL A 10 -9.346 11.018 -2.941 1.00 0.33 O ATOM 133 CB VAL A 10 -10.722 9.148 -0.964 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.099 9.475 -1.526 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.801 7.995 0.025 1.00 0.27 C ATOM 0 H VAL A 10 -8.176 9.058 -0.757 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.068 7.858 -2.550 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.349 10.025 -0.435 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.778 9.717 -0.708 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.024 10.328 -2.200 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.483 8.614 -2.073 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.490 8.252 0.829 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.157 7.101 -0.486 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.812 7.805 0.442 1.00 0.27 H new ATOM 145 N SER A 11 -10.369 9.547 -4.297 1.00 0.29 N ATOM 146 CA SER A 11 -10.619 10.493 -5.357 1.00 0.36 C ATOM 147 C SER A 11 -12.110 10.477 -5.683 1.00 0.45 C ATOM 148 O SER A 11 -12.858 9.699 -5.086 1.00 0.63 O ATOM 149 CB SER A 11 -9.783 10.138 -6.580 1.00 0.45 C ATOM 150 OG SER A 11 -8.439 9.861 -6.213 1.00 1.22 O ATOM 0 H SER A 11 -10.662 8.594 -4.512 1.00 0.29 H new ATOM 0 HA SER A 11 -10.335 11.497 -5.043 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.214 9.271 -7.080 1.00 0.45 H new ATOM 0 HB3 SER A 11 -9.807 10.962 -7.293 1.00 0.45 H new ATOM 0 HG SER A 11 -7.921 9.634 -7.014 1.00 1.22 H new ATOM 156 N GLY A 12 -12.538 11.327 -6.606 1.00 0.45 N ATOM 157 CA GLY A 12 -13.950 11.427 -6.940 1.00 0.54 C ATOM 158 C GLY A 12 -14.566 10.103 -7.362 1.00 0.49 C ATOM 159 O GLY A 12 -14.353 9.639 -8.484 1.00 0.61 O ATOM 0 H GLY A 12 -11.931 11.954 -7.134 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.493 11.813 -6.078 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.075 12.150 -7.746 1.00 0.54 H new ATOM 163 N GLY A 13 -15.303 9.481 -6.446 1.00 0.45 N ATOM 164 CA GLY A 13 -16.036 8.269 -6.762 1.00 0.48 C ATOM 165 C GLY A 13 -15.198 7.008 -6.655 1.00 0.41 C ATOM 166 O GLY A 13 -15.735 5.901 -6.612 1.00 0.45 O ATOM 0 H GLY A 13 -15.405 9.799 -5.482 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.891 8.186 -6.091 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.432 8.347 -7.774 1.00 0.48 H new ATOM 170 N HIS A 14 -13.885 7.158 -6.586 1.00 0.34 N ATOM 171 CA HIS A 14 -13.002 6.007 -6.598 1.00 0.31 C ATOM 172 C HIS A 14 -11.861 6.191 -5.616 1.00 0.30 C ATOM 173 O HIS A 14 -11.280 7.269 -5.520 1.00 0.43 O ATOM 174 CB HIS A 14 -12.468 5.754 -8.014 1.00 0.34 C ATOM 175 CG HIS A 14 -11.668 6.881 -8.602 1.00 0.79 C ATOM 176 ND1 HIS A 14 -12.240 7.921 -9.300 1.00 1.56 N ATOM 177 CD2 HIS A 14 -10.334 7.121 -8.604 1.00 1.57 C ATOM 178 CE1 HIS A 14 -11.298 8.749 -9.706 1.00 1.85 C ATOM 179 NE2 HIS A 14 -10.130 8.289 -9.299 1.00 1.82 N ATOM 0 H HIS A 14 -13.412 8.059 -6.522 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.575 5.133 -6.287 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.847 4.858 -7.997 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -13.311 5.545 -8.672 1.00 0.34 H new ATOM 0 HD1 HIS A 14 -13.238 8.033 -9.476 1.00 1.56 H new ATOM 0 HD2 HIS A 14 -9.573 6.508 -8.145 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -11.456 9.653 -10.276 1.00 1.85 H new ATOM 188 N VAL A 15 -11.553 5.141 -4.884 1.00 0.23 N ATOM 189 CA VAL A 15 -10.480 5.185 -3.916 1.00 0.20 C ATOM 190 C VAL A 15 -9.292 4.377 -4.430 1.00 0.18 C ATOM 191 O VAL A 15 -9.394 3.178 -4.670 1.00 0.17 O ATOM 192 CB VAL A 15 -10.951 4.685 -2.520 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.578 3.296 -2.589 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.804 4.704 -1.523 1.00 0.17 C ATOM 0 H VAL A 15 -12.034 4.243 -4.942 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.167 6.221 -3.788 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.723 5.374 -2.178 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.892 2.988 -1.591 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.444 3.320 -3.250 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.847 2.585 -2.975 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.158 4.350 -0.555 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -9.004 4.054 -1.877 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.427 5.722 -1.422 1.00 0.17 H new ATOM 204 N THR A 16 -8.176 5.051 -4.624 1.00 0.17 N ATOM 205 CA THR A 16 -6.975 4.421 -5.134 1.00 0.16 C ATOM 206 C THR A 16 -6.083 4.036 -3.967 1.00 0.14 C ATOM 207 O THR A 16 -5.623 4.888 -3.225 1.00 0.15 O ATOM 208 CB THR A 16 -6.211 5.380 -6.065 1.00 0.20 C ATOM 209 OG1 THR A 16 -7.028 5.731 -7.191 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.905 4.759 -6.536 1.00 0.19 C ATOM 0 H THR A 16 -8.076 6.048 -4.433 1.00 0.17 H new ATOM 0 HA THR A 16 -7.256 3.534 -5.703 1.00 0.16 H new ATOM 0 HB THR A 16 -5.973 6.283 -5.503 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.534 6.342 -7.776 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.386 5.458 -7.192 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.277 4.535 -5.674 1.00 0.19 H new ATOM 0 HG23 THR A 16 -5.115 3.838 -7.080 1.00 0.19 H new ATOM 218 N LEU A 17 -5.839 2.757 -3.805 1.00 0.12 N ATOM 219 CA LEU A 17 -5.167 2.276 -2.621 1.00 0.10 C ATOM 220 C LEU A 17 -3.785 1.735 -2.955 1.00 0.13 C ATOM 221 O LEU A 17 -3.617 1.023 -3.945 1.00 0.17 O ATOM 222 CB LEU A 17 -6.021 1.214 -1.970 1.00 0.11 C ATOM 223 CG LEU A 17 -5.969 1.206 -0.456 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.350 0.956 0.102 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.976 0.173 0.034 1.00 0.11 C ATOM 0 H LEU A 17 -6.095 2.033 -4.476 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.027 3.104 -1.926 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -7.055 1.354 -2.285 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.706 0.237 -2.337 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.630 2.180 -0.102 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.307 0.951 1.191 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -8.025 1.744 -0.231 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.716 -0.008 -0.251 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.951 0.180 1.124 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.276 -0.815 -0.315 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.985 0.409 -0.353 1.00 0.11 H new ATOM 237 N GLN A 18 -2.800 2.095 -2.135 1.00 0.15 N ATOM 238 CA GLN A 18 -1.415 1.716 -2.364 1.00 0.19 C ATOM 239 C GLN A 18 -0.691 1.514 -1.030 1.00 0.24 C ATOM 240 O GLN A 18 -1.246 1.769 0.035 1.00 0.51 O ATOM 241 CB GLN A 18 -0.677 2.804 -3.144 1.00 0.32 C ATOM 242 CG GLN A 18 -1.415 3.366 -4.345 1.00 0.78 C ATOM 243 CD GLN A 18 -1.987 4.747 -4.079 1.00 1.03 C ATOM 244 OE1 GLN A 18 -2.357 5.079 -2.951 1.00 1.58 O ATOM 245 NE2 GLN A 18 -2.039 5.571 -5.111 1.00 1.77 N ATOM 0 H GLN A 18 -2.943 2.657 -1.296 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.418 0.788 -2.936 1.00 0.19 H new ATOM 0 HB2 GLN A 18 -0.451 3.624 -2.463 1.00 0.32 H new ATOM 0 HB3 GLN A 18 0.277 2.399 -3.483 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -0.735 3.415 -5.195 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -2.223 2.688 -4.621 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -1.723 5.259 -6.029 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -2.395 6.519 -4.989 1.00 1.77 H new ATOM 254 N GLY A 19 0.547 1.050 -1.091 1.00 0.17 N ATOM 255 CA GLY A 19 1.377 0.997 0.097 1.00 0.18 C ATOM 256 C GLY A 19 2.653 1.798 -0.087 1.00 0.18 C ATOM 257 O GLY A 19 3.395 1.571 -1.036 1.00 0.19 O ATOM 0 H GLY A 19 0.994 0.708 -1.942 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.821 1.386 0.950 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.625 -0.040 0.324 1.00 0.18 H new ATOM 261 N VAL A 20 2.910 2.742 0.809 1.00 0.17 N ATOM 262 CA VAL A 20 4.064 3.626 0.678 1.00 0.18 C ATOM 263 C VAL A 20 5.312 3.026 1.296 1.00 0.21 C ATOM 264 O VAL A 20 5.370 2.737 2.476 1.00 0.45 O ATOM 265 CB VAL A 20 3.794 5.021 1.280 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.081 5.696 1.741 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.079 5.898 0.266 1.00 0.20 C ATOM 0 H VAL A 20 2.336 2.916 1.634 1.00 0.17 H new ATOM 0 HA VAL A 20 4.236 3.743 -0.392 1.00 0.18 H new ATOM 0 HB VAL A 20 3.158 4.887 2.155 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.849 6.676 2.159 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.562 5.082 2.502 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.754 5.814 0.892 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.893 6.880 0.701 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.700 6.007 -0.623 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.130 5.437 -0.008 1.00 0.20 H new ATOM 277 N ILE A 21 6.303 2.856 0.469 1.00 0.13 N ATOM 278 CA ILE A 21 7.577 2.317 0.869 1.00 0.11 C ATOM 279 C ILE A 21 8.612 3.422 0.989 1.00 0.13 C ATOM 280 O ILE A 21 9.059 3.975 -0.008 1.00 0.14 O ATOM 281 CB ILE A 21 8.035 1.277 -0.165 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.441 -0.071 0.175 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.547 1.182 -0.267 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.561 -1.035 -0.958 1.00 0.10 C ATOM 0 H ILE A 21 6.250 3.092 -0.522 1.00 0.13 H new ATOM 0 HA ILE A 21 7.471 1.842 1.844 1.00 0.11 H new ATOM 0 HB ILE A 21 7.677 1.603 -1.141 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.944 -0.478 1.052 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.390 0.051 0.438 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.815 0.433 -1.012 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.953 2.149 -0.563 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.960 0.896 0.700 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.122 -1.990 -0.671 1.00 0.10 H new ATOM 0 HD12 ILE A 21 7.036 -0.641 -1.828 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.613 -1.179 -1.204 1.00 0.10 H new ATOM 296 N THR A 22 8.970 3.782 2.195 1.00 0.13 N ATOM 297 CA THR A 22 10.111 4.646 2.361 1.00 0.14 C ATOM 298 C THR A 22 11.349 3.804 2.193 1.00 0.14 C ATOM 299 O THR A 22 11.420 2.713 2.706 1.00 0.18 O ATOM 300 CB THR A 22 10.142 5.330 3.732 1.00 0.16 C ATOM 301 OG1 THR A 22 8.815 5.718 4.114 1.00 0.20 O ATOM 302 CG2 THR A 22 11.039 6.555 3.663 1.00 0.17 C ATOM 0 H THR A 22 8.502 3.500 3.056 1.00 0.13 H new ATOM 0 HA THR A 22 10.055 5.440 1.616 1.00 0.14 H new ATOM 0 HB THR A 22 10.534 4.635 4.475 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.841 6.153 4.992 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.063 7.044 4.637 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.048 6.252 3.384 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.650 7.249 2.918 1.00 0.17 H new ATOM 310 N ALA A 23 12.307 4.259 1.450 1.00 0.12 N ATOM 311 CA ALA A 23 13.497 3.467 1.284 1.00 0.12 C ATOM 312 C ALA A 23 14.702 4.271 1.679 1.00 0.14 C ATOM 313 O ALA A 23 14.956 5.295 1.100 1.00 0.16 O ATOM 314 CB ALA A 23 13.593 3.002 -0.141 1.00 0.11 C ATOM 0 H ALA A 23 12.298 5.152 0.957 1.00 0.12 H new ATOM 0 HA ALA A 23 13.452 2.589 1.929 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.494 2.402 -0.268 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.718 2.400 -0.387 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.636 3.866 -0.804 1.00 0.11 H new ATOM 320 N VAL A 24 15.448 3.798 2.654 1.00 0.16 N ATOM 321 CA VAL A 24 16.538 4.587 3.219 1.00 0.18 C ATOM 322 C VAL A 24 17.699 4.794 2.237 1.00 0.20 C ATOM 323 O VAL A 24 18.564 5.641 2.464 1.00 0.25 O ATOM 324 CB VAL A 24 17.065 3.953 4.523 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.192 4.781 5.116 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.931 3.809 5.520 1.00 0.23 C ATOM 0 H VAL A 24 15.326 2.877 3.075 1.00 0.16 H new ATOM 0 HA VAL A 24 16.116 5.568 3.437 1.00 0.18 H new ATOM 0 HB VAL A 24 17.463 2.965 4.291 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.544 4.311 6.034 1.00 0.25 H new ATOM 0 HG12 VAL A 24 19.013 4.843 4.402 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.828 5.784 5.338 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.309 3.361 6.439 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.514 4.791 5.741 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.154 3.171 5.098 1.00 0.23 H new ATOM 336 N ARG A 25 17.723 4.059 1.134 1.00 0.21 N ATOM 337 CA ARG A 25 18.826 4.188 0.197 1.00 0.24 C ATOM 338 C ARG A 25 18.360 4.263 -1.251 1.00 0.23 C ATOM 339 O ARG A 25 17.483 3.507 -1.680 1.00 0.26 O ATOM 340 CB ARG A 25 19.804 3.046 0.393 1.00 0.33 C ATOM 341 CG ARG A 25 20.529 3.128 1.714 1.00 0.40 C ATOM 342 CD ARG A 25 21.550 4.245 1.701 1.00 0.73 C ATOM 343 NE ARG A 25 22.208 4.408 2.995 1.00 0.80 N ATOM 344 CZ ARG A 25 22.104 5.499 3.758 1.00 1.41 C ATOM 345 NH1 ARG A 25 21.298 6.495 3.399 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.786 5.581 4.894 1.00 1.42 N ATOM 0 H ARG A 25 17.007 3.382 0.871 1.00 0.21 H new ATOM 0 HA ARG A 25 19.327 5.133 0.408 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.268 2.099 0.334 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.532 3.052 -0.418 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.812 3.295 2.517 1.00 0.40 H new ATOM 0 HG3 ARG A 25 21.024 2.179 1.921 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.300 4.040 0.937 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.061 5.179 1.424 1.00 0.73 H new ATOM 0 HE ARG A 25 22.784 3.639 3.338 1.00 0.80 H new ATOM 0 HH11 ARG A 25 20.756 6.427 2.538 1.00 2.18 H new ATOM 0 HH12 ARG A 25 21.222 7.326 3.985 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.389 4.811 5.184 1.00 1.42 H new ATOM 0 HH22 ARG A 25 22.707 6.414 5.477 1.00 1.42 H new ATOM 360 N ASP A 26 18.953 5.205 -1.987 1.00 0.23 N ATOM 361 CA ASP A 26 18.663 5.403 -3.400 1.00 0.25 C ATOM 362 C ASP A 26 19.077 4.182 -4.197 1.00 0.24 C ATOM 363 O ASP A 26 20.212 3.714 -4.096 1.00 0.32 O ATOM 364 CB ASP A 26 19.405 6.616 -3.951 1.00 0.31 C ATOM 365 CG ASP A 26 19.253 7.854 -3.099 1.00 0.78 C ATOM 366 OD1 ASP A 26 18.206 8.525 -3.190 1.00 1.54 O ATOM 367 OD2 ASP A 26 20.188 8.164 -2.333 1.00 0.73 O ATOM 0 H ASP A 26 19.649 5.851 -1.615 1.00 0.23 H new ATOM 0 HA ASP A 26 17.589 5.567 -3.493 1.00 0.25 H new ATOM 0 HB2 ASP A 26 20.464 6.374 -4.041 1.00 0.31 H new ATOM 0 HB3 ASP A 26 19.041 6.829 -4.956 1.00 0.31 H new ATOM 372 N GLY A 27 18.157 3.671 -4.977 1.00 0.24 N ATOM 373 CA GLY A 27 18.441 2.533 -5.816 1.00 0.26 C ATOM 374 C GLY A 27 17.173 1.836 -6.229 1.00 0.21 C ATOM 375 O GLY A 27 16.174 2.484 -6.510 1.00 0.23 O ATOM 0 H GLY A 27 17.203 4.026 -5.049 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.987 2.857 -6.702 1.00 0.26 H new ATOM 0 HA3 GLY A 27 19.086 1.835 -5.282 1.00 0.26 H new ATOM 379 N ALA A 28 17.199 0.523 -6.247 1.00 0.19 N ATOM 380 CA ALA A 28 16.024 -0.247 -6.604 1.00 0.18 C ATOM 381 C ALA A 28 15.891 -1.451 -5.688 1.00 0.24 C ATOM 382 O ALA A 28 16.891 -2.043 -5.285 1.00 0.45 O ATOM 383 CB ALA A 28 16.095 -0.683 -8.059 1.00 0.21 C ATOM 0 H ALA A 28 18.021 -0.037 -6.019 1.00 0.19 H new ATOM 0 HA ALA A 28 15.142 0.381 -6.481 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.205 -1.260 -8.310 1.00 0.21 H new ATOM 0 HB2 ALA A 28 16.150 0.197 -8.700 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.981 -1.299 -8.211 1.00 0.21 H new ATOM 389 N GLY A 29 14.660 -1.807 -5.361 1.00 0.15 N ATOM 390 CA GLY A 29 14.420 -2.921 -4.481 1.00 0.19 C ATOM 391 C GLY A 29 13.224 -3.716 -4.933 1.00 0.17 C ATOM 392 O GLY A 29 12.644 -3.421 -5.977 1.00 0.21 O ATOM 0 H GLY A 29 13.818 -1.337 -5.694 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.300 -3.564 -4.454 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.258 -2.559 -3.466 1.00 0.19 H new ATOM 396 N SER A 30 12.842 -4.704 -4.155 1.00 0.15 N ATOM 397 CA SER A 30 11.708 -5.539 -4.508 1.00 0.15 C ATOM 398 C SER A 30 10.750 -5.664 -3.331 1.00 0.13 C ATOM 399 O SER A 30 11.172 -5.819 -2.184 1.00 0.14 O ATOM 400 CB SER A 30 12.184 -6.914 -4.971 1.00 0.20 C ATOM 401 OG SER A 30 13.070 -7.498 -4.028 1.00 0.23 O ATOM 0 H SER A 30 13.296 -4.951 -3.276 1.00 0.15 H new ATOM 0 HA SER A 30 11.172 -5.068 -5.332 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.325 -7.568 -5.119 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.684 -6.822 -5.935 1.00 0.20 H new ATOM 0 HG SER A 30 12.561 -7.810 -3.251 1.00 0.23 H new ATOM 407 N TYR A 31 9.461 -5.585 -3.628 1.00 0.13 N ATOM 408 CA TYR A 31 8.425 -5.565 -2.606 1.00 0.11 C ATOM 409 C TYR A 31 7.085 -6.039 -3.170 1.00 0.13 C ATOM 410 O TYR A 31 6.871 -6.040 -4.383 1.00 0.18 O ATOM 411 CB TYR A 31 8.310 -4.165 -2.005 1.00 0.10 C ATOM 412 CG TYR A 31 8.972 -3.068 -2.817 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.395 -2.625 -3.992 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.159 -2.457 -2.390 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.965 -1.614 -4.729 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.733 -1.431 -3.128 1.00 0.09 C ATOM 417 CZ TYR A 31 10.129 -1.018 -4.295 1.00 0.11 C ATOM 418 OH TYR A 31 10.685 0.003 -5.027 1.00 0.13 O ATOM 0 H TYR A 31 9.104 -5.533 -4.582 1.00 0.13 H new ATOM 0 HA TYR A 31 8.705 -6.258 -1.813 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.254 -3.922 -1.885 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.750 -4.176 -1.008 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.479 -3.081 -4.338 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.632 -2.788 -1.477 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.501 -1.287 -5.648 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.645 -0.961 -2.790 1.00 0.09 H new ATOM 0 HH TYR A 31 11.660 -0.096 -5.038 1.00 0.13 H new ATOM 428 N LYS A 32 6.192 -6.440 -2.277 1.00 0.13 N ATOM 429 CA LYS A 32 4.932 -7.078 -2.649 1.00 0.14 C ATOM 430 C LYS A 32 3.749 -6.440 -1.925 1.00 0.14 C ATOM 431 O LYS A 32 3.598 -6.590 -0.711 1.00 0.13 O ATOM 432 CB LYS A 32 4.993 -8.569 -2.293 1.00 0.16 C ATOM 433 CG LYS A 32 5.783 -8.852 -1.036 1.00 0.17 C ATOM 434 CD LYS A 32 7.249 -9.131 -1.329 1.00 0.25 C ATOM 435 CE LYS A 32 7.433 -10.434 -2.077 1.00 0.40 C ATOM 436 NZ LYS A 32 8.870 -10.759 -2.260 1.00 1.26 N ATOM 0 H LYS A 32 6.319 -6.333 -1.271 1.00 0.13 H new ATOM 0 HA LYS A 32 4.790 -6.947 -3.722 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.978 -8.948 -2.169 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.438 -9.116 -3.124 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.705 -8.000 -0.361 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.348 -9.708 -0.521 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.665 -8.312 -1.917 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.807 -9.167 -0.393 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.943 -11.240 -1.531 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.947 -10.367 -3.051 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.975 -11.778 -2.440 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 9.247 -10.224 -3.068 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.396 -10.503 -1.400 1.00 1.26 H new ATOM 450 N LEU A 33 2.896 -5.755 -2.671 1.00 0.17 N ATOM 451 CA LEU A 33 1.728 -5.110 -2.087 1.00 0.17 C ATOM 452 C LEU A 33 0.478 -5.928 -2.382 1.00 0.19 C ATOM 453 O LEU A 33 0.248 -6.362 -3.513 1.00 0.27 O ATOM 454 CB LEU A 33 1.589 -3.664 -2.610 1.00 0.22 C ATOM 455 CG LEU A 33 0.394 -2.834 -2.087 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.890 -3.204 -2.805 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.214 -2.998 -0.582 1.00 0.49 C ATOM 0 H LEU A 33 2.989 -5.631 -3.679 1.00 0.17 H new ATOM 0 HA LEU A 33 1.854 -5.060 -1.006 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.506 -3.127 -2.366 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.523 -3.703 -3.697 1.00 0.22 H new ATOM 0 HG LEU A 33 0.620 -1.788 -2.294 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.711 -2.603 -2.415 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.777 -3.015 -3.873 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.105 -4.260 -2.644 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.635 -2.400 -0.250 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.032 -4.047 -0.350 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.116 -2.664 -0.069 1.00 0.49 H new ATOM 469 N ALA A 34 -0.315 -6.149 -1.352 1.00 0.16 N ATOM 470 CA ALA A 34 -1.583 -6.842 -1.496 1.00 0.19 C ATOM 471 C ALA A 34 -2.701 -6.068 -0.805 1.00 0.18 C ATOM 472 O ALA A 34 -2.568 -5.675 0.350 1.00 0.25 O ATOM 473 CB ALA A 34 -1.480 -8.247 -0.933 1.00 0.25 C ATOM 0 H ALA A 34 -0.102 -5.856 -0.398 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.822 -6.909 -2.557 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.437 -8.756 -1.047 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.709 -8.799 -1.471 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.219 -8.197 0.124 1.00 0.25 H new ATOM 479 N VAL A 35 -3.800 -5.860 -1.512 1.00 0.16 N ATOM 480 CA VAL A 35 -4.937 -5.127 -0.970 1.00 0.14 C ATOM 481 C VAL A 35 -6.082 -6.088 -0.662 1.00 0.16 C ATOM 482 O VAL A 35 -6.340 -7.026 -1.420 1.00 0.23 O ATOM 483 CB VAL A 35 -5.432 -4.028 -1.944 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.487 -3.149 -1.288 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.271 -3.177 -2.430 1.00 0.21 C ATOM 0 H VAL A 35 -3.931 -6.190 -2.468 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.605 -4.641 -0.053 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.885 -4.525 -2.802 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.816 -2.387 -1.994 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.339 -3.762 -0.992 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -6.063 -2.668 -0.407 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.641 -2.412 -3.112 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.788 -2.700 -1.577 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.550 -3.808 -2.949 1.00 0.21 H new ATOM 495 N ASP A 36 -6.746 -5.855 0.454 1.00 0.19 N ATOM 496 CA ASP A 36 -7.866 -6.677 0.882 1.00 0.24 C ATOM 497 C ASP A 36 -9.138 -5.843 0.894 1.00 0.25 C ATOM 498 O ASP A 36 -9.259 -4.893 1.665 1.00 0.31 O ATOM 499 CB ASP A 36 -7.593 -7.240 2.278 1.00 0.33 C ATOM 500 CG ASP A 36 -8.735 -8.086 2.811 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.972 -9.180 2.264 1.00 1.52 O ATOM 502 OD2 ASP A 36 -9.396 -7.669 3.787 1.00 1.67 O ATOM 0 H ASP A 36 -6.525 -5.090 1.091 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.991 -7.506 0.186 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.685 -7.842 2.250 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.407 -6.415 2.966 1.00 0.33 H new ATOM 507 N LYS A 37 -10.072 -6.183 0.029 1.00 0.28 N ATOM 508 CA LYS A 37 -11.307 -5.447 -0.074 1.00 0.33 C ATOM 509 C LYS A 37 -12.477 -6.297 0.389 1.00 0.46 C ATOM 510 O LYS A 37 -12.544 -7.488 0.092 1.00 0.63 O ATOM 511 CB LYS A 37 -11.493 -4.977 -1.508 1.00 0.42 C ATOM 512 CG LYS A 37 -12.938 -4.819 -1.904 1.00 0.95 C ATOM 513 CD LYS A 37 -13.098 -4.155 -3.267 1.00 0.77 C ATOM 514 CE LYS A 37 -12.689 -5.071 -4.407 1.00 1.13 C ATOM 515 NZ LYS A 37 -13.010 -4.487 -5.734 1.00 1.34 N ATOM 0 H LYS A 37 -9.994 -6.970 -0.615 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.266 -4.573 0.576 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.982 -4.023 -1.639 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -11.016 -5.689 -2.181 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.416 -5.798 -1.922 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.455 -4.225 -1.151 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -14.137 -3.853 -3.402 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.495 -3.247 -3.299 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.619 -5.268 -4.347 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.196 -6.030 -4.301 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.714 -5.145 -6.483 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.035 -4.322 -5.802 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.506 -3.584 -5.847 1.00 1.34 H new ATOM 529 N ALA A 38 -13.379 -5.681 1.133 1.00 0.41 N ATOM 530 CA ALA A 38 -14.558 -6.361 1.629 1.00 0.52 C ATOM 531 C ALA A 38 -15.724 -5.389 1.745 1.00 0.47 C ATOM 532 O ALA A 38 -15.652 -4.393 2.460 1.00 0.43 O ATOM 533 CB ALA A 38 -14.257 -7.009 2.968 1.00 0.60 C ATOM 0 H ALA A 38 -13.314 -4.701 1.408 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.840 -7.142 0.923 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.148 -7.518 3.334 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.449 -7.731 2.849 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.957 -6.243 3.683 1.00 0.60 H new ATOM 539 N GLY A 39 -16.792 -5.673 1.028 1.00 0.57 N ATOM 540 CA GLY A 39 -17.949 -4.809 1.050 1.00 0.60 C ATOM 541 C GLY A 39 -19.216 -5.575 0.763 1.00 0.81 C ATOM 542 O GLY A 39 -19.232 -6.801 0.860 1.00 0.96 O ATOM 0 H GLY A 39 -16.881 -6.492 0.426 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -18.026 -4.328 2.025 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.827 -4.016 0.312 1.00 0.60 H new ATOM 546 N ALA A 40 -20.272 -4.863 0.402 1.00 0.90 N ATOM 547 CA ALA A 40 -21.527 -5.496 0.024 1.00 1.14 C ATOM 548 C ALA A 40 -21.369 -6.244 -1.297 1.00 1.33 C ATOM 549 O ALA A 40 -22.182 -7.099 -1.650 1.00 1.57 O ATOM 550 CB ALA A 40 -22.634 -4.464 -0.075 1.00 1.24 C ATOM 0 H ALA A 40 -20.285 -3.844 0.363 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.798 -6.216 0.796 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.565 -4.955 -0.359 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.762 -3.974 0.890 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.372 -3.721 -0.828 1.00 1.24 H new ATOM 556 N ALA A 41 -20.306 -5.915 -2.022 1.00 1.28 N ATOM 557 CA ALA A 41 -19.994 -6.578 -3.278 1.00 1.49 C ATOM 558 C ALA A 41 -19.047 -7.753 -3.051 1.00 1.45 C ATOM 559 O ALA A 41 -18.469 -8.293 -3.996 1.00 1.72 O ATOM 560 CB ALA A 41 -19.388 -5.591 -4.262 1.00 1.58 C ATOM 0 H ALA A 41 -19.642 -5.187 -1.757 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.922 -6.965 -3.699 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.160 -6.103 -5.197 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.097 -4.786 -4.453 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.471 -5.176 -3.843 1.00 1.58 H new ATOM 566 N GLY A 42 -18.887 -8.138 -1.792 1.00 1.19 N ATOM 567 CA GLY A 42 -18.064 -9.283 -1.465 1.00 1.21 C ATOM 568 C GLY A 42 -16.641 -8.905 -1.126 1.00 1.01 C ATOM 569 O GLY A 42 -16.319 -7.726 -0.974 1.00 0.86 O ATOM 0 H GLY A 42 -19.314 -7.675 -0.990 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.505 -9.812 -0.620 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.060 -9.974 -2.308 1.00 1.21 H new ATOM 573 N THR A 43 -15.798 -9.913 -1.001 1.00 1.03 N ATOM 574 CA THR A 43 -14.405 -9.718 -0.669 1.00 0.88 C ATOM 575 C THR A 43 -13.535 -9.910 -1.909 1.00 0.82 C ATOM 576 O THR A 43 -13.804 -10.795 -2.725 1.00 0.92 O ATOM 577 CB THR A 43 -13.971 -10.720 0.419 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.329 -12.054 0.032 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.619 -10.391 1.753 1.00 1.00 C ATOM 0 H THR A 43 -16.063 -10.890 -1.128 1.00 1.03 H new ATOM 0 HA THR A 43 -14.279 -8.702 -0.294 1.00 0.88 H new ATOM 0 HB THR A 43 -12.889 -10.648 0.529 1.00 0.97 H new ATOM 0 HG1 THR A 43 -14.048 -12.683 0.729 1.00 1.14 H new ATOM 0 HG21 THR A 43 -14.296 -11.113 2.503 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.324 -9.389 2.064 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.703 -10.434 1.651 1.00 1.00 H new ATOM 587 N SER A 44 -12.514 -9.082 -2.074 1.00 0.73 N ATOM 588 CA SER A 44 -11.583 -9.263 -3.170 1.00 0.69 C ATOM 589 C SER A 44 -10.154 -9.122 -2.678 1.00 0.59 C ATOM 590 O SER A 44 -9.822 -8.165 -1.973 1.00 0.60 O ATOM 591 CB SER A 44 -11.852 -8.244 -4.274 1.00 0.72 C ATOM 592 OG SER A 44 -11.056 -8.496 -5.420 1.00 1.15 O ATOM 0 H SER A 44 -12.313 -8.287 -1.468 1.00 0.73 H new ATOM 0 HA SER A 44 -11.722 -10.266 -3.574 1.00 0.69 H new ATOM 0 HB2 SER A 44 -12.906 -8.274 -4.549 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.648 -7.240 -3.902 1.00 0.72 H new ATOM 0 HG SER A 44 -11.253 -7.827 -6.109 1.00 1.15 H new ATOM 598 N ARG A 45 -9.318 -10.079 -3.039 1.00 0.63 N ATOM 599 CA ARG A 45 -7.914 -10.019 -2.699 1.00 0.60 C ATOM 600 C ARG A 45 -7.113 -9.599 -3.910 1.00 0.51 C ATOM 601 O ARG A 45 -7.141 -10.247 -4.956 1.00 0.65 O ATOM 602 CB ARG A 45 -7.417 -11.357 -2.178 1.00 0.78 C ATOM 603 CG ARG A 45 -5.972 -11.339 -1.719 1.00 1.48 C ATOM 604 CD ARG A 45 -5.839 -10.666 -0.364 1.00 1.56 C ATOM 605 NE ARG A 45 -6.510 -11.433 0.685 1.00 1.96 N ATOM 606 CZ ARG A 45 -6.461 -11.133 1.980 1.00 2.32 C ATOM 607 NH1 ARG A 45 -5.786 -10.071 2.398 1.00 2.28 N ATOM 608 NH2 ARG A 45 -7.093 -11.897 2.858 1.00 3.08 N ATOM 0 H ARG A 45 -9.591 -10.907 -3.568 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.784 -9.282 -1.906 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -8.048 -11.669 -1.346 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -7.530 -12.106 -2.962 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -5.593 -12.359 -1.661 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -5.361 -10.813 -2.452 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -4.784 -10.553 -0.115 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -6.264 -9.664 -0.411 1.00 1.56 H new ATOM 0 HE ARG A 45 -7.051 -12.251 0.405 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -5.300 -9.478 1.725 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -5.753 -9.847 3.393 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -7.616 -12.713 2.541 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -7.057 -11.669 3.852 1.00 3.08 H new ATOM 622 N ILE A 46 -6.404 -8.513 -3.754 1.00 0.38 N ATOM 623 CA ILE A 46 -5.638 -7.928 -4.839 1.00 0.33 C ATOM 624 C ILE A 46 -4.145 -8.044 -4.561 1.00 0.30 C ATOM 625 O ILE A 46 -3.679 -7.654 -3.496 1.00 0.34 O ATOM 626 CB ILE A 46 -6.017 -6.456 -5.064 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.452 -6.344 -5.593 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.044 -5.819 -6.035 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.522 -6.357 -4.517 1.00 0.40 C ATOM 0 H ILE A 46 -6.337 -8.003 -2.873 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.876 -8.482 -5.747 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.964 -5.929 -4.111 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.543 -5.422 -6.167 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.637 -7.168 -6.282 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.317 -4.775 -6.191 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.035 -5.873 -5.627 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.079 -6.350 -6.986 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.505 -6.274 -4.980 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.463 -7.290 -3.956 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.368 -5.517 -3.840 1.00 0.40 H new ATOM 641 N LYS A 47 -3.401 -8.595 -5.507 1.00 0.31 N ATOM 642 CA LYS A 47 -1.962 -8.765 -5.349 1.00 0.38 C ATOM 643 C LYS A 47 -1.190 -8.070 -6.463 1.00 0.41 C ATOM 644 O LYS A 47 -1.542 -8.183 -7.640 1.00 0.51 O ATOM 645 CB LYS A 47 -1.590 -10.248 -5.342 1.00 0.51 C ATOM 646 CG LYS A 47 -1.260 -10.820 -3.971 1.00 0.91 C ATOM 647 CD LYS A 47 -2.485 -10.913 -3.079 1.00 1.56 C ATOM 648 CE LYS A 47 -2.173 -11.644 -1.781 1.00 2.17 C ATOM 649 NZ LYS A 47 -1.730 -13.045 -2.018 1.00 2.74 N ATOM 0 H LYS A 47 -3.770 -8.934 -6.396 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.691 -8.312 -4.395 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.417 -10.817 -5.767 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.731 -10.395 -5.997 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -0.822 -11.811 -4.088 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.508 -10.194 -3.489 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -2.851 -9.911 -2.855 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -3.284 -11.433 -3.608 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -1.395 -11.105 -1.240 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -3.059 -11.647 -1.146 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 -1.837 -13.596 -1.142 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -2.311 -13.471 -2.768 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -0.732 -13.049 -2.310 1.00 2.74 H new ATOM 663 N GLN A 48 -0.153 -7.337 -6.079 1.00 0.40 N ATOM 664 CA GLN A 48 0.827 -6.818 -7.022 1.00 0.47 C ATOM 665 C GLN A 48 2.220 -6.950 -6.422 1.00 0.50 C ATOM 666 O GLN A 48 2.536 -6.314 -5.416 1.00 0.78 O ATOM 667 CB GLN A 48 0.552 -5.352 -7.376 1.00 0.52 C ATOM 668 CG GLN A 48 -0.680 -5.150 -8.242 1.00 0.55 C ATOM 669 CD GLN A 48 -0.819 -3.726 -8.740 1.00 0.82 C ATOM 670 OE1 GLN A 48 -1.519 -2.898 -7.987 1.00 1.63 O flip ATOM 671 NE2 GLN A 48 -0.303 -3.374 -9.799 1.00 1.37 N flip ATOM 0 H GLN A 48 0.032 -7.086 -5.108 1.00 0.40 H new ATOM 0 HA GLN A 48 0.756 -7.400 -7.941 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.434 -4.782 -6.455 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.420 -4.944 -7.895 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.633 -5.826 -9.096 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.568 -5.419 -7.671 1.00 0.55 H new ATOM 0 HE21 GLN A 48 0.231 -4.043 -10.353 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -0.409 -2.413 -10.123 1.00 1.37 H new ATOM 680 N ALA A 49 3.053 -7.767 -7.042 1.00 0.32 N ATOM 681 CA ALA A 49 4.393 -8.008 -6.535 1.00 0.31 C ATOM 682 C ALA A 49 5.426 -7.837 -7.635 1.00 0.31 C ATOM 683 O ALA A 49 5.152 -8.116 -8.806 1.00 0.39 O ATOM 684 CB ALA A 49 4.488 -9.398 -5.927 1.00 0.33 C ATOM 0 H ALA A 49 2.826 -8.275 -7.897 1.00 0.32 H new ATOM 0 HA ALA A 49 4.601 -7.273 -5.757 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.498 -9.563 -5.552 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.777 -9.485 -5.105 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.257 -10.144 -6.687 1.00 0.33 H new ATOM 690 N GLY A 50 6.603 -7.369 -7.257 1.00 0.25 N ATOM 691 CA GLY A 50 7.658 -7.144 -8.216 1.00 0.26 C ATOM 692 C GLY A 50 8.759 -6.286 -7.642 1.00 0.23 C ATOM 693 O GLY A 50 9.006 -6.308 -6.433 1.00 0.25 O ATOM 0 H GLY A 50 6.847 -7.139 -6.294 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.071 -8.101 -8.534 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.247 -6.663 -9.104 1.00 0.26 H new ATOM 697 N ALA A 51 9.406 -5.513 -8.494 1.00 0.23 N ATOM 698 CA ALA A 51 10.498 -4.669 -8.067 1.00 0.21 C ATOM 699 C ALA A 51 10.388 -3.294 -8.709 1.00 0.23 C ATOM 700 O ALA A 51 9.980 -3.167 -9.864 1.00 0.38 O ATOM 701 CB ALA A 51 11.824 -5.318 -8.407 1.00 0.23 C ATOM 0 H ALA A 51 9.190 -5.455 -9.489 1.00 0.23 H new ATOM 0 HA ALA A 51 10.444 -4.544 -6.986 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.639 -4.673 -8.080 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.898 -6.281 -7.901 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.890 -5.468 -9.485 1.00 0.23 H new ATOM 707 N PHE A 52 10.747 -2.270 -7.957 1.00 0.15 N ATOM 708 CA PHE A 52 10.637 -0.899 -8.423 1.00 0.16 C ATOM 709 C PHE A 52 11.800 -0.075 -7.864 1.00 0.14 C ATOM 710 O PHE A 52 12.569 -0.559 -7.026 1.00 0.16 O ATOM 711 CB PHE A 52 9.272 -0.323 -8.013 1.00 0.17 C ATOM 712 CG PHE A 52 9.003 1.082 -8.483 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.999 1.395 -9.832 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.766 2.090 -7.565 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.758 2.690 -10.254 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.528 3.386 -7.980 1.00 0.18 C ATOM 717 CZ PHE A 52 8.523 3.687 -9.327 1.00 0.23 C ATOM 0 H PHE A 52 11.121 -2.363 -7.012 1.00 0.15 H new ATOM 0 HA PHE A 52 10.697 -0.863 -9.511 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.489 -0.975 -8.400 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.197 -0.346 -6.926 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.186 0.621 -10.561 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.767 1.860 -6.510 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.754 2.922 -11.309 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.346 4.162 -7.252 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.336 4.699 -9.655 1.00 0.23 H new ATOM 727 N THR A 53 11.930 1.152 -8.330 1.00 0.15 N ATOM 728 CA THR A 53 13.038 2.005 -7.960 1.00 0.16 C ATOM 729 C THR A 53 12.685 2.829 -6.728 1.00 0.16 C ATOM 730 O THR A 53 11.581 3.363 -6.633 1.00 0.27 O ATOM 731 CB THR A 53 13.391 2.939 -9.115 1.00 0.21 C ATOM 732 OG1 THR A 53 13.197 2.263 -10.368 1.00 0.43 O ATOM 733 CG2 THR A 53 14.830 3.401 -9.010 1.00 0.40 C ATOM 0 H THR A 53 11.269 1.584 -8.976 1.00 0.15 H new ATOM 0 HA THR A 53 13.897 1.374 -7.732 1.00 0.16 H new ATOM 0 HB THR A 53 12.737 3.810 -9.063 1.00 0.21 H new ATOM 0 HG1 THR A 53 13.424 2.868 -11.105 1.00 0.43 H new ATOM 0 HG21 THR A 53 15.060 4.065 -9.843 1.00 0.40 H new ATOM 0 HG22 THR A 53 14.973 3.934 -8.070 1.00 0.40 H new ATOM 0 HG23 THR A 53 15.493 2.536 -9.042 1.00 0.40 H new ATOM 741 N ALA A 54 13.618 2.938 -5.795 1.00 0.13 N ATOM 742 CA ALA A 54 13.343 3.609 -4.540 1.00 0.13 C ATOM 743 C ALA A 54 14.434 4.626 -4.190 1.00 0.14 C ATOM 744 O ALA A 54 15.619 4.382 -4.404 1.00 0.23 O ATOM 745 CB ALA A 54 13.173 2.582 -3.425 1.00 0.15 C ATOM 0 H ALA A 54 14.566 2.572 -5.884 1.00 0.13 H new ATOM 0 HA ALA A 54 12.412 4.165 -4.650 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.967 3.095 -2.486 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.343 1.918 -3.666 1.00 0.15 H new ATOM 0 HB3 ALA A 54 14.088 1.998 -3.326 1.00 0.15 H new ATOM 751 N ILE A 55 14.015 5.768 -3.660 1.00 0.17 N ATOM 752 CA ILE A 55 14.929 6.847 -3.291 1.00 0.18 C ATOM 753 C ILE A 55 15.134 6.885 -1.790 1.00 0.16 C ATOM 754 O ILE A 55 14.197 6.654 -1.025 1.00 0.14 O ATOM 755 CB ILE A 55 14.390 8.199 -3.762 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.374 8.224 -5.281 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.216 9.347 -3.209 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.265 9.281 -5.882 1.00 0.33 C ATOM 0 H ILE A 55 13.034 5.974 -3.473 1.00 0.17 H new ATOM 0 HA ILE A 55 15.884 6.654 -3.779 1.00 0.18 H new ATOM 0 HB ILE A 55 13.375 8.327 -3.386 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.682 7.247 -5.654 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.352 8.387 -5.622 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.807 10.293 -3.563 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.188 9.324 -2.120 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.248 9.249 -3.547 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.200 9.236 -6.969 1.00 0.33 H new ATOM 0 HD12 ILE A 55 14.945 10.265 -5.539 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.296 9.107 -5.573 1.00 0.33 H new ATOM 770 N ALA A 56 16.360 7.190 -1.387 1.00 0.17 N ATOM 771 CA ALA A 56 16.734 7.194 0.027 1.00 0.18 C ATOM 772 C ALA A 56 15.933 8.196 0.841 1.00 0.17 C ATOM 773 O ALA A 56 15.949 9.400 0.571 1.00 0.20 O ATOM 774 CB ALA A 56 18.211 7.457 0.219 1.00 0.22 C ATOM 0 H ALA A 56 17.119 7.440 -2.021 1.00 0.17 H new ATOM 0 HA ALA A 56 16.501 6.194 0.393 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.446 7.452 1.283 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.787 6.680 -0.284 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.465 8.429 -0.204 1.00 0.22 H new ATOM 780 N GLU A 57 15.238 7.667 1.844 1.00 0.16 N ATOM 781 CA GLU A 57 14.428 8.444 2.762 1.00 0.18 C ATOM 782 C GLU A 57 13.316 9.157 2.007 1.00 0.19 C ATOM 783 O GLU A 57 12.789 10.183 2.441 1.00 0.28 O ATOM 784 CB GLU A 57 15.306 9.405 3.542 1.00 0.23 C ATOM 785 CG GLU A 57 16.421 8.686 4.292 1.00 0.27 C ATOM 786 CD GLU A 57 17.391 9.636 4.955 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.235 10.216 4.247 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.317 9.799 6.193 1.00 0.75 O ATOM 0 H GLU A 57 15.225 6.666 2.041 1.00 0.16 H new ATOM 0 HA GLU A 57 13.952 7.780 3.483 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.741 10.133 2.858 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.693 9.961 4.251 1.00 0.23 H new ATOM 0 HG2 GLU A 57 15.982 8.036 5.049 1.00 0.27 H new ATOM 0 HG3 GLU A 57 16.965 8.045 3.598 1.00 0.27 H new ATOM 795 N GLN A 58 12.983 8.574 0.869 1.00 0.16 N ATOM 796 CA GLN A 58 11.881 8.994 0.057 1.00 0.18 C ATOM 797 C GLN A 58 10.801 7.954 0.118 1.00 0.17 C ATOM 798 O GLN A 58 11.066 6.767 0.305 1.00 0.19 O ATOM 799 CB GLN A 58 12.294 9.176 -1.373 1.00 0.20 C ATOM 800 CG GLN A 58 12.103 10.589 -1.864 1.00 0.28 C ATOM 801 CD GLN A 58 10.858 11.247 -1.296 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.903 11.895 -0.252 1.00 1.38 O ATOM 803 NE2 GLN A 58 9.735 11.066 -1.972 1.00 1.48 N ATOM 0 H GLN A 58 13.491 7.777 0.485 1.00 0.16 H new ATOM 0 HA GLN A 58 11.522 9.950 0.439 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.342 8.898 -1.481 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.717 8.497 -2.002 1.00 0.20 H new ATOM 0 HG2 GLN A 58 12.977 11.183 -1.596 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.042 10.585 -2.952 1.00 0.28 H new ATOM 0 HE21 GLN A 58 9.741 10.521 -2.834 1.00 1.48 H new ATOM 0 HE22 GLN A 58 8.863 11.471 -1.631 1.00 1.48 H new ATOM 812 N ARG A 59 9.598 8.415 -0.018 1.00 0.16 N ATOM 813 CA ARG A 59 8.447 7.546 -0.051 1.00 0.17 C ATOM 814 C ARG A 59 8.209 7.027 -1.460 1.00 0.17 C ATOM 815 O ARG A 59 8.161 7.796 -2.421 1.00 0.22 O ATOM 816 CB ARG A 59 7.212 8.283 0.438 1.00 0.24 C ATOM 817 CG ARG A 59 7.025 8.245 1.941 1.00 0.30 C ATOM 818 CD ARG A 59 8.230 8.766 2.688 1.00 0.44 C ATOM 819 NE ARG A 59 8.451 10.196 2.487 1.00 1.37 N ATOM 820 CZ ARG A 59 8.999 10.996 3.399 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.303 10.525 4.605 1.00 1.51 N ATOM 822 NH2 ARG A 59 9.223 12.271 3.111 1.00 2.72 N ATOM 0 H ARG A 59 9.377 9.407 -0.110 1.00 0.16 H new ATOM 0 HA ARG A 59 8.642 6.700 0.609 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.271 9.323 0.116 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.332 7.851 -0.038 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.151 8.838 2.210 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.824 7.220 2.253 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.104 8.569 3.753 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.115 8.218 2.366 1.00 0.44 H new ATOM 0 HE ARG A 59 8.169 10.605 1.596 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.116 9.549 4.833 1.00 1.51 H new ATOM 0 HH12 ARG A 59 9.723 11.140 5.302 1.00 1.51 H new ATOM 0 HH21 ARG A 59 8.975 12.637 2.192 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.643 12.885 3.809 1.00 2.72 H new ATOM 836 N VAL A 60 8.079 5.724 -1.572 1.00 0.13 N ATOM 837 CA VAL A 60 7.805 5.076 -2.834 1.00 0.14 C ATOM 838 C VAL A 60 6.503 4.309 -2.727 1.00 0.13 C ATOM 839 O VAL A 60 6.434 3.290 -2.053 1.00 0.12 O ATOM 840 CB VAL A 60 8.960 4.118 -3.209 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.577 3.217 -4.373 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.196 4.927 -3.548 1.00 0.15 C ATOM 0 H VAL A 60 8.161 5.081 -0.785 1.00 0.13 H new ATOM 0 HA VAL A 60 7.719 5.831 -3.616 1.00 0.14 H new ATOM 0 HB VAL A 60 9.170 3.476 -2.354 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.411 2.556 -4.611 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.707 2.620 -4.100 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.338 3.828 -5.243 1.00 0.15 H new ATOM 0 HG21 VAL A 60 11.011 4.253 -3.812 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.981 5.584 -4.390 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.487 5.526 -2.685 1.00 0.15 H new ATOM 852 N THR A 61 5.470 4.781 -3.390 1.00 0.15 N ATOM 853 CA THR A 61 4.180 4.157 -3.235 1.00 0.15 C ATOM 854 C THR A 61 4.019 3.008 -4.201 1.00 0.16 C ATOM 855 O THR A 61 4.220 3.148 -5.407 1.00 0.19 O ATOM 856 CB THR A 61 3.027 5.149 -3.391 1.00 0.17 C ATOM 857 OG1 THR A 61 3.402 6.433 -2.876 1.00 0.19 O ATOM 858 CG2 THR A 61 1.814 4.636 -2.645 1.00 0.19 C ATOM 0 H THR A 61 5.497 5.577 -4.027 1.00 0.15 H new ATOM 0 HA THR A 61 4.139 3.772 -2.216 1.00 0.15 H new ATOM 0 HB THR A 61 2.789 5.251 -4.450 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.656 7.059 -2.983 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.992 5.343 -2.756 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.518 3.669 -3.052 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.057 4.525 -1.588 1.00 0.19 H new ATOM 866 N VAL A 62 3.657 1.872 -3.650 1.00 0.15 N ATOM 867 CA VAL A 62 3.667 0.638 -4.383 1.00 0.15 C ATOM 868 C VAL A 62 2.309 -0.050 -4.357 1.00 0.15 C ATOM 869 O VAL A 62 1.621 -0.049 -3.337 1.00 0.16 O ATOM 870 CB VAL A 62 4.772 -0.282 -3.814 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.505 -1.760 -4.080 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.124 0.141 -4.374 1.00 0.16 C ATOM 0 H VAL A 62 3.349 1.783 -2.682 1.00 0.15 H new ATOM 0 HA VAL A 62 3.882 0.856 -5.429 1.00 0.15 H new ATOM 0 HB VAL A 62 4.774 -0.167 -2.730 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.313 -2.357 -3.658 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.561 -2.048 -3.617 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.450 -1.932 -5.155 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.903 -0.507 -3.973 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.109 0.061 -5.461 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.329 1.173 -4.089 1.00 0.16 H new ATOM 882 N GLY A 63 1.928 -0.618 -5.497 1.00 0.18 N ATOM 883 CA GLY A 63 0.684 -1.348 -5.586 1.00 0.21 C ATOM 884 C GLY A 63 -0.510 -0.436 -5.749 1.00 0.20 C ATOM 885 O GLY A 63 -1.338 -0.330 -4.854 1.00 0.28 O ATOM 0 H GLY A 63 2.465 -0.583 -6.364 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.730 -2.036 -6.430 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.556 -1.953 -4.688 1.00 0.21 H new ATOM 889 N ASN A 64 -0.599 0.218 -6.897 1.00 0.33 N ATOM 890 CA ASN A 64 -1.718 1.101 -7.183 1.00 0.40 C ATOM 891 C ASN A 64 -2.929 0.283 -7.586 1.00 0.37 C ATOM 892 O ASN A 64 -2.954 -0.331 -8.653 1.00 0.52 O ATOM 893 CB ASN A 64 -1.361 2.096 -8.295 1.00 0.67 C ATOM 894 CG ASN A 64 -0.469 3.225 -7.813 1.00 1.31 C ATOM 895 OD1 ASN A 64 -0.954 4.277 -7.395 1.00 2.17 O ATOM 896 ND2 ASN A 64 0.840 3.024 -7.871 1.00 1.98 N ATOM 0 H ASN A 64 0.091 0.154 -7.646 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.949 1.667 -6.281 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.860 1.564 -9.104 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -2.278 2.516 -8.708 1.00 0.67 H new ATOM 0 HD21 ASN A 64 1.482 3.754 -7.563 1.00 1.98 H new ATOM 0 HD22 ASN A 64 1.205 2.139 -8.223 1.00 1.98 H new ATOM 903 N VAL A 65 -3.906 0.248 -6.705 1.00 0.25 N ATOM 904 CA VAL A 65 -5.151 -0.460 -6.959 1.00 0.33 C ATOM 905 C VAL A 65 -6.332 0.468 -6.730 1.00 0.27 C ATOM 906 O VAL A 65 -6.501 1.003 -5.641 1.00 0.35 O ATOM 907 CB VAL A 65 -5.297 -1.687 -6.042 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.522 -2.504 -6.425 1.00 1.29 C ATOM 909 CG2 VAL A 65 -4.038 -2.538 -6.081 1.00 1.10 C ATOM 0 H VAL A 65 -3.864 0.706 -5.795 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.133 -0.798 -7.995 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.435 -1.336 -5.019 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.605 -3.366 -5.764 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.415 -1.886 -6.331 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.424 -2.845 -7.456 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.161 -3.401 -5.426 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.861 -2.879 -7.101 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.188 -1.945 -5.744 1.00 1.10 H new ATOM 919 N VAL A 66 -7.141 0.671 -7.753 1.00 0.25 N ATOM 920 CA VAL A 66 -8.271 1.579 -7.642 1.00 0.23 C ATOM 921 C VAL A 66 -9.564 0.824 -7.361 1.00 0.24 C ATOM 922 O VAL A 66 -9.966 -0.069 -8.112 1.00 0.27 O ATOM 923 CB VAL A 66 -8.431 2.451 -8.902 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.594 3.418 -8.740 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.144 3.210 -9.183 1.00 0.29 C ATOM 0 H VAL A 66 -7.040 0.224 -8.664 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.063 2.237 -6.799 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.644 1.799 -9.749 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.691 4.025 -9.640 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.515 2.857 -8.580 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.411 4.066 -7.883 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.270 3.822 -10.076 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.907 3.851 -8.334 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.331 2.502 -9.341 1.00 0.29 H new ATOM 935 N LEU A 67 -10.193 1.184 -6.256 1.00 0.22 N ATOM 936 CA LEU A 67 -11.462 0.609 -5.848 1.00 0.23 C ATOM 937 C LEU A 67 -12.554 1.651 -6.036 1.00 0.24 C ATOM 938 O LEU A 67 -12.261 2.833 -6.223 1.00 0.26 O ATOM 939 CB LEU A 67 -11.443 0.207 -4.367 1.00 0.21 C ATOM 940 CG LEU A 67 -10.273 -0.660 -3.869 1.00 0.19 C ATOM 941 CD1 LEU A 67 -10.063 -1.875 -4.762 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.988 0.149 -3.734 1.00 0.18 C ATOM 0 H LEU A 67 -9.834 1.889 -5.612 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.645 -0.278 -6.455 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.458 1.121 -3.773 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.369 -0.327 -4.154 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.540 -1.018 -2.875 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.229 -2.466 -4.382 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.967 -2.484 -4.766 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.842 -1.546 -5.777 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.186 -0.499 -3.380 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.717 0.566 -4.704 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.141 0.959 -3.021 1.00 0.18 H new ATOM 954 N ASP A 68 -13.808 1.231 -5.989 1.00 0.26 N ATOM 955 CA ASP A 68 -14.902 2.186 -5.921 1.00 0.28 C ATOM 956 C ASP A 68 -14.935 2.766 -4.514 1.00 0.28 C ATOM 957 O ASP A 68 -14.845 2.030 -3.531 1.00 0.30 O ATOM 958 CB ASP A 68 -16.250 1.543 -6.294 1.00 0.32 C ATOM 959 CG ASP A 68 -16.684 0.443 -5.344 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.310 -0.727 -5.572 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.420 0.735 -4.381 1.00 1.25 O ATOM 0 H ASP A 68 -14.091 0.251 -5.996 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.736 2.980 -6.649 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -17.018 2.316 -6.316 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.181 1.134 -7.302 1.00 0.32 H new ATOM 966 N TYR A 69 -15.017 4.080 -4.412 1.00 0.28 N ATOM 967 CA TYR A 69 -14.894 4.733 -3.118 1.00 0.27 C ATOM 968 C TYR A 69 -16.174 4.638 -2.311 1.00 0.27 C ATOM 969 O TYR A 69 -17.234 5.096 -2.740 1.00 0.30 O ATOM 970 CB TYR A 69 -14.490 6.200 -3.268 1.00 0.29 C ATOM 971 CG TYR A 69 -14.769 7.013 -2.028 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.219 6.655 -0.804 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.595 8.127 -2.080 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.495 7.386 0.342 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.870 8.862 -0.948 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.322 8.487 0.257 1.00 0.30 C ATOM 977 OH TYR A 69 -15.612 9.207 1.383 1.00 0.33 O ATOM 0 H TYR A 69 -15.167 4.712 -5.199 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.108 4.203 -2.579 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.427 6.257 -3.503 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.027 6.636 -4.111 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.568 5.796 -0.744 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.029 8.423 -3.024 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -14.067 7.096 1.290 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.512 9.728 -1.006 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.206 9.951 1.152 1.00 0.33 H new ATOM 987 N SER A 70 -16.057 4.037 -1.140 1.00 0.25 N ATOM 988 CA SER A 70 -17.126 4.015 -0.177 1.00 0.27 C ATOM 989 C SER A 70 -16.551 4.146 1.226 1.00 0.29 C ATOM 990 O SER A 70 -15.684 3.367 1.625 1.00 0.28 O ATOM 991 CB SER A 70 -17.928 2.739 -0.325 1.00 0.30 C ATOM 992 OG SER A 70 -18.834 2.822 -1.410 1.00 0.99 O ATOM 0 H SER A 70 -15.213 3.551 -0.836 1.00 0.25 H new ATOM 0 HA SER A 70 -17.797 4.856 -0.353 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.252 1.898 -0.477 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.477 2.544 0.596 1.00 0.30 H new ATOM 0 HG SER A 70 -18.585 3.574 -1.987 1.00 0.99 H new ATOM 998 N SER A 71 -17.018 5.144 1.960 1.00 0.36 N ATOM 999 CA SER A 71 -16.526 5.407 3.303 1.00 0.42 C ATOM 1000 C SER A 71 -16.874 4.265 4.254 1.00 0.43 C ATOM 1001 O SER A 71 -16.161 4.010 5.226 1.00 0.50 O ATOM 1002 CB SER A 71 -17.101 6.720 3.808 1.00 0.50 C ATOM 1003 OG SER A 71 -18.509 6.762 3.639 1.00 0.54 O ATOM 0 H SER A 71 -17.742 5.789 1.645 1.00 0.36 H new ATOM 0 HA SER A 71 -15.439 5.482 3.266 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.855 6.846 4.862 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.643 7.551 3.272 1.00 0.50 H new ATOM 0 HG SER A 71 -18.853 7.616 3.974 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.958 3.565 3.950 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.419 2.460 4.775 1.00 0.43 C ATOM 1011 C ALA A 72 -17.906 1.122 4.252 1.00 0.40 C ATOM 1012 O ALA A 72 -18.323 0.060 4.714 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.933 2.453 4.830 1.00 0.47 C ATOM 0 H ALA A 72 -18.538 3.746 3.131 1.00 0.39 H new ATOM 0 HA ALA A 72 -18.021 2.600 5.780 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -20.271 1.622 5.450 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.286 3.392 5.257 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.333 2.340 3.822 1.00 0.47 H new ATOM 1019 N ASN A 73 -17.001 1.173 3.285 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.454 -0.037 2.695 1.00 0.30 C ATOM 1021 C ASN A 73 -15.178 -0.449 3.412 1.00 0.33 C ATOM 1022 O ASN A 73 -14.451 0.400 3.933 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.163 0.174 1.217 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.837 -0.878 0.358 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -17.061 -1.996 0.805 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -17.171 -0.531 -0.874 1.00 0.95 N ATOM 0 H ASN A 73 -16.631 2.039 2.894 1.00 0.32 H new ATOM 0 HA ASN A 73 -17.194 -0.830 2.802 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.506 1.164 0.916 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.086 0.145 1.050 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.631 -1.204 -1.486 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.968 0.410 -1.212 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.910 -1.744 3.451 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.696 -2.240 4.072 1.00 0.35 C ATOM 1035 C ARG A 74 -12.606 -2.405 3.024 1.00 0.27 C ATOM 1036 O ARG A 74 -12.680 -3.281 2.164 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.957 -3.572 4.776 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.929 -3.470 5.939 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.319 -2.742 7.127 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.315 -2.464 8.159 1.00 1.49 N ATOM 1041 CZ ARG A 74 -15.031 -2.238 9.442 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.781 -2.327 9.881 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -16.007 -1.940 10.293 1.00 2.50 N ATOM 0 H ARG A 74 -15.515 -2.467 3.061 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.366 -1.516 4.817 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.347 -4.286 4.050 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -13.010 -3.972 5.140 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.828 -2.946 5.615 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.235 -4.470 6.245 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.515 -3.345 7.550 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.873 -1.806 6.790 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.295 -2.441 7.879 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.030 -2.570 9.235 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.572 -2.153 10.864 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.971 -1.885 9.964 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.792 -1.767 11.275 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.610 -1.544 3.096 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.457 -1.623 2.222 1.00 0.14 C ATOM 1059 C TYR A 75 -9.199 -1.614 3.053 1.00 0.13 C ATOM 1060 O TYR A 75 -8.903 -0.630 3.724 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.419 -0.454 1.249 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.570 -0.427 0.286 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.931 -1.567 -0.401 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.295 0.736 0.063 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.984 -1.557 -1.285 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.353 0.755 -0.824 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.692 -0.398 -1.497 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.744 -0.393 -2.382 1.00 0.35 O ATOM 0 H TYR A 75 -11.577 -0.771 3.761 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.528 -2.547 1.648 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.410 0.477 1.815 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.487 -0.493 0.685 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.378 -2.481 -0.242 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -12.027 1.639 0.591 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.255 -2.460 -1.813 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.910 1.666 -0.989 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.813 0.489 -2.804 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.482 -2.708 3.023 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.239 -2.822 3.756 1.00 0.13 C ATOM 1080 C ALA A 76 -6.117 -3.192 2.819 1.00 0.12 C ATOM 1081 O ALA A 76 -6.351 -3.550 1.673 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.343 -3.833 4.874 1.00 0.16 C ATOM 0 H ALA A 76 -8.738 -3.542 2.495 1.00 0.14 H new ATOM 0 HA ALA A 76 -7.026 -1.852 4.206 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.391 -3.891 5.402 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.125 -3.528 5.569 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.588 -4.811 4.459 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.905 -3.099 3.303 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.746 -3.342 2.483 1.00 0.13 C ATOM 1090 C ALA A 77 -2.658 -3.978 3.305 1.00 0.14 C ATOM 1091 O ALA A 77 -2.713 -3.964 4.524 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.258 -2.048 1.867 1.00 0.12 C ATOM 0 H ALA A 77 -4.694 -2.854 4.271 1.00 0.13 H new ATOM 0 HA ALA A 77 -4.019 -4.024 1.678 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.382 -2.247 1.250 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -4.047 -1.619 1.249 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.993 -1.346 2.658 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.693 -4.551 2.630 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.545 -5.136 3.275 1.00 0.16 C ATOM 1100 C ARG A 78 0.609 -5.149 2.294 1.00 0.14 C ATOM 1101 O ARG A 78 0.474 -5.624 1.168 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.873 -6.537 3.796 1.00 0.23 C ATOM 1103 CG ARG A 78 -0.983 -7.592 2.726 1.00 0.56 C ATOM 1104 CD ARG A 78 0.352 -8.278 2.532 1.00 1.56 C ATOM 1105 NE ARG A 78 0.224 -9.573 1.864 1.00 2.06 N ATOM 1106 CZ ARG A 78 1.152 -10.100 1.065 1.00 2.77 C ATOM 1107 NH1 ARG A 78 2.264 -9.428 0.792 1.00 3.25 N ATOM 1108 NH2 ARG A 78 0.963 -11.298 0.526 1.00 3.35 N ATOM 0 H ARG A 78 -1.682 -4.625 1.613 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.259 -4.541 4.142 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.102 -6.837 4.506 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.813 -6.496 4.346 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.740 -8.325 3.004 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.307 -7.138 1.789 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.006 -7.633 1.945 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.829 -8.419 3.502 1.00 1.56 H new ATOM 0 HE ARG A 78 -0.631 -10.107 2.020 1.00 2.06 H new ATOM 0 HH11 ARG A 78 2.412 -8.503 1.194 1.00 3.25 H new ATOM 0 HH12 ARG A 78 2.970 -9.837 0.180 1.00 3.25 H new ATOM 0 HH21 ARG A 78 0.107 -11.817 0.723 1.00 3.35 H new ATOM 0 HH22 ARG A 78 1.674 -11.700 -0.085 1.00 3.35 H new ATOM 1122 N LEU A 79 1.727 -4.586 2.684 1.00 0.17 N ATOM 1123 CA LEU A 79 2.877 -4.594 1.815 1.00 0.15 C ATOM 1124 C LEU A 79 4.038 -5.262 2.506 1.00 0.15 C ATOM 1125 O LEU A 79 4.447 -4.863 3.591 1.00 0.22 O ATOM 1126 CB LEU A 79 3.260 -3.185 1.367 1.00 0.16 C ATOM 1127 CG LEU A 79 3.860 -3.105 -0.046 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.101 -1.665 -0.446 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.145 -3.924 -0.158 1.00 0.16 C ATOM 0 H LEU A 79 1.864 -4.124 3.583 1.00 0.17 H new ATOM 0 HA LEU A 79 2.617 -5.159 0.920 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.374 -2.551 1.408 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.978 -2.775 2.077 1.00 0.16 H new ATOM 0 HG LEU A 79 3.136 -3.536 -0.737 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.526 -1.632 -1.449 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.156 -1.121 -0.434 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.794 -1.203 0.257 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.541 -3.844 -1.171 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.881 -3.544 0.550 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.931 -4.969 0.066 1.00 0.16 H new ATOM 1141 N ASP A 80 4.542 -6.292 1.870 1.00 0.12 N ATOM 1142 CA ASP A 80 5.707 -6.990 2.347 1.00 0.12 C ATOM 1143 C ASP A 80 6.909 -6.537 1.538 1.00 0.11 C ATOM 1144 O ASP A 80 6.902 -6.604 0.318 1.00 0.15 O ATOM 1145 CB ASP A 80 5.492 -8.497 2.224 1.00 0.15 C ATOM 1146 CG ASP A 80 6.665 -9.316 2.731 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.598 -9.598 1.944 1.00 2.22 O ATOM 1148 OD2 ASP A 80 6.641 -9.713 3.914 1.00 1.06 O ATOM 0 H ASP A 80 4.154 -6.669 1.005 1.00 0.12 H new ATOM 0 HA ASP A 80 5.883 -6.764 3.399 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.597 -8.775 2.780 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.309 -8.746 1.179 1.00 0.15 H new ATOM 1153 N VAL A 81 7.913 -6.007 2.193 1.00 0.09 N ATOM 1154 CA VAL A 81 9.111 -5.623 1.482 1.00 0.10 C ATOM 1155 C VAL A 81 10.221 -6.590 1.838 1.00 0.12 C ATOM 1156 O VAL A 81 10.773 -6.540 2.931 1.00 0.13 O ATOM 1157 CB VAL A 81 9.556 -4.187 1.806 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.603 -3.732 0.811 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.374 -3.228 1.816 1.00 0.09 C ATOM 0 H VAL A 81 7.928 -5.833 3.198 1.00 0.09 H new ATOM 0 HA VAL A 81 8.891 -5.657 0.415 1.00 0.10 H new ATOM 0 HB VAL A 81 9.991 -4.183 2.806 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.912 -2.714 1.048 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.467 -4.395 0.863 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.185 -3.759 -0.195 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.724 -2.222 2.048 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.896 -3.229 0.836 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.654 -3.545 2.571 1.00 0.09 H new ATOM 1169 N SER A 82 10.532 -7.467 0.908 1.00 0.14 N ATOM 1170 CA SER A 82 11.571 -8.454 1.091 1.00 0.17 C ATOM 1171 C SER A 82 12.588 -8.336 -0.036 1.00 0.20 C ATOM 1172 O SER A 82 12.341 -8.757 -1.168 1.00 0.25 O ATOM 1173 CB SER A 82 10.958 -9.853 1.137 1.00 0.21 C ATOM 1174 OG SER A 82 9.792 -9.933 0.327 1.00 0.82 O ATOM 0 H SER A 82 10.069 -7.515 0.001 1.00 0.14 H new ATOM 0 HA SER A 82 12.083 -8.279 2.037 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.691 -10.585 0.797 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.707 -10.109 2.166 1.00 0.21 H new ATOM 0 HG SER A 82 8.996 -9.945 0.899 1.00 0.82 H new ATOM 1180 N PHE A 83 13.724 -7.743 0.279 1.00 0.21 N ATOM 1181 CA PHE A 83 14.749 -7.474 -0.712 1.00 0.24 C ATOM 1182 C PHE A 83 16.128 -7.600 -0.083 1.00 0.24 C ATOM 1183 O PHE A 83 16.643 -6.653 0.512 1.00 0.23 O ATOM 1184 CB PHE A 83 14.542 -6.076 -1.309 1.00 0.26 C ATOM 1185 CG PHE A 83 15.642 -5.624 -2.230 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.900 -6.296 -3.413 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.419 -4.526 -1.906 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.912 -5.880 -4.256 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.433 -4.105 -2.743 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.679 -4.783 -3.920 1.00 0.34 C ATOM 0 H PHE A 83 13.962 -7.436 1.222 1.00 0.21 H new ATOM 0 HA PHE A 83 14.675 -8.205 -1.517 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.599 -6.064 -1.856 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.448 -5.357 -0.495 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.303 -7.156 -3.680 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.230 -3.992 -0.987 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.103 -6.412 -5.176 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.033 -3.247 -2.477 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.471 -4.455 -4.577 1.00 0.34 H new ATOM 1200 N GLY A 84 16.702 -8.788 -0.186 1.00 0.30 N ATOM 1201 CA GLY A 84 18.033 -9.016 0.326 1.00 0.34 C ATOM 1202 C GLY A 84 18.102 -8.911 1.835 1.00 0.34 C ATOM 1203 O GLY A 84 17.685 -9.824 2.551 1.00 0.41 O ATOM 0 H GLY A 84 16.265 -9.602 -0.618 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.372 -10.005 0.018 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.718 -8.292 -0.117 1.00 0.34 H new ATOM 1207 N SER A 85 18.616 -7.791 2.315 1.00 0.32 N ATOM 1208 CA SER A 85 18.823 -7.590 3.737 1.00 0.36 C ATOM 1209 C SER A 85 17.565 -7.072 4.432 1.00 0.31 C ATOM 1210 O SER A 85 17.468 -7.103 5.661 1.00 0.35 O ATOM 1211 CB SER A 85 19.974 -6.621 3.942 1.00 0.43 C ATOM 1212 OG SER A 85 19.770 -5.422 3.210 1.00 0.42 O ATOM 0 H SER A 85 18.899 -7.002 1.734 1.00 0.32 H new ATOM 0 HA SER A 85 19.062 -8.554 4.185 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.075 -6.390 5.003 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.907 -7.088 3.627 1.00 0.43 H new ATOM 0 HG SER A 85 20.524 -4.815 3.360 1.00 0.42 H new ATOM 1218 N VAL A 86 16.596 -6.615 3.653 1.00 0.24 N ATOM 1219 CA VAL A 86 15.375 -6.075 4.226 1.00 0.20 C ATOM 1220 C VAL A 86 14.207 -7.043 4.064 1.00 0.17 C ATOM 1221 O VAL A 86 14.062 -7.693 3.027 1.00 0.18 O ATOM 1222 CB VAL A 86 14.999 -4.712 3.598 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.614 -4.856 2.131 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.873 -4.058 4.386 1.00 0.19 C ATOM 0 H VAL A 86 16.631 -6.607 2.634 1.00 0.24 H new ATOM 0 HA VAL A 86 15.572 -5.928 5.288 1.00 0.20 H new ATOM 0 HB VAL A 86 15.879 -4.071 3.644 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.356 -3.878 1.725 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.454 -5.271 1.573 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.756 -5.522 2.044 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.620 -3.100 3.932 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.997 -4.707 4.376 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.194 -3.898 5.415 1.00 0.19 H new ATOM 1234 N THR A 87 13.407 -7.167 5.112 1.00 0.17 N ATOM 1235 CA THR A 87 12.145 -7.884 5.043 1.00 0.17 C ATOM 1236 C THR A 87 11.192 -7.331 6.098 1.00 0.15 C ATOM 1237 O THR A 87 11.467 -7.405 7.296 1.00 0.18 O ATOM 1238 CB THR A 87 12.327 -9.400 5.255 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.342 -9.909 4.378 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.022 -10.118 4.983 1.00 0.23 C ATOM 0 H THR A 87 13.614 -6.775 6.031 1.00 0.17 H new ATOM 0 HA THR A 87 11.733 -7.739 4.044 1.00 0.17 H new ATOM 0 HB THR A 87 12.630 -9.572 6.288 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.417 -9.328 3.593 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.157 -11.189 5.135 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.255 -9.749 5.664 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.713 -9.933 3.954 1.00 0.23 H new ATOM 1248 N ILE A 88 10.079 -6.776 5.640 1.00 0.12 N ATOM 1249 CA ILE A 88 9.132 -6.070 6.503 1.00 0.11 C ATOM 1250 C ILE A 88 7.729 -6.180 5.939 1.00 0.10 C ATOM 1251 O ILE A 88 7.554 -6.597 4.796 1.00 0.11 O ATOM 1252 CB ILE A 88 9.454 -4.578 6.625 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.151 -3.881 5.313 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.900 -4.358 7.031 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.518 -2.424 5.315 1.00 0.09 C ATOM 0 H ILE A 88 9.803 -6.800 4.658 1.00 0.12 H new ATOM 0 HA ILE A 88 9.207 -6.537 7.485 1.00 0.11 H new ATOM 0 HB ILE A 88 8.827 -4.151 7.408 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.690 -4.383 4.510 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.088 -3.980 5.094 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.097 -3.289 7.109 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.083 -4.832 7.995 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.559 -4.795 6.281 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.275 -1.986 4.347 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.959 -1.909 6.096 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.586 -2.318 5.503 1.00 0.09 H new ATOM 1267 N GLN A 89 6.735 -5.818 6.731 1.00 0.11 N ATOM 1268 CA GLN A 89 5.375 -5.738 6.231 1.00 0.14 C ATOM 1269 C GLN A 89 4.560 -4.701 7.006 1.00 0.14 C ATOM 1270 O GLN A 89 4.909 -4.326 8.127 1.00 0.20 O ATOM 1271 CB GLN A 89 4.685 -7.104 6.286 1.00 0.22 C ATOM 1272 CG GLN A 89 4.607 -7.701 7.681 1.00 0.68 C ATOM 1273 CD GLN A 89 3.873 -9.024 7.695 1.00 1.04 C ATOM 1274 OE1 GLN A 89 4.473 -10.084 7.515 1.00 1.53 O ATOM 1275 NE2 GLN A 89 2.568 -8.975 7.907 1.00 1.88 N ATOM 0 H GLN A 89 6.843 -5.576 7.716 1.00 0.11 H new ATOM 0 HA GLN A 89 5.429 -5.422 5.189 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.675 -7.006 5.887 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.219 -7.796 5.635 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.615 -7.842 8.071 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.103 -7.000 8.347 1.00 0.68 H new ATOM 0 HE21 GLN A 89 2.108 -8.076 8.052 1.00 1.88 H new ATOM 0 HE22 GLN A 89 2.022 -9.836 7.926 1.00 1.88 H new ATOM 1284 N CYS A 90 3.487 -4.238 6.386 1.00 0.20 N ATOM 1285 CA CYS A 90 2.565 -3.283 6.994 1.00 0.21 C ATOM 1286 C CYS A 90 1.155 -3.570 6.511 1.00 0.23 C ATOM 1287 O CYS A 90 0.981 -4.286 5.528 1.00 0.31 O ATOM 1288 CB CYS A 90 2.965 -1.854 6.631 1.00 0.22 C ATOM 1289 SG CYS A 90 3.713 -1.712 4.979 1.00 0.97 S ATOM 0 H CYS A 90 3.226 -4.514 5.439 1.00 0.20 H new ATOM 0 HA CYS A 90 2.605 -3.386 8.078 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.084 -1.214 6.679 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.670 -1.482 7.374 1.00 0.22 H new ATOM 1294 N ASN A 91 0.155 -3.015 7.183 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.238 -3.280 6.823 1.00 0.18 C ATOM 1296 C ASN A 91 -2.105 -2.036 7.009 1.00 0.16 C ATOM 1297 O ASN A 91 -1.945 -1.287 7.977 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.795 -4.456 7.642 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.974 -4.136 9.116 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -3.048 -3.714 9.546 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.928 -4.344 9.900 1.00 1.82 N ATOM 0 H ASN A 91 0.277 -2.383 7.974 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.264 -3.550 5.767 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.756 -4.757 7.224 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.123 -5.309 7.542 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.994 -4.154 10.900 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -0.056 -4.695 9.504 1.00 1.82 H new ATOM 1308 N LEU A 92 -3.001 -1.802 6.048 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.864 -0.623 6.059 1.00 0.13 C ATOM 1310 C LEU A 92 -5.038 -0.801 7.011 1.00 0.14 C ATOM 1311 O LEU A 92 -5.645 -1.870 7.075 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.391 -0.287 4.652 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.680 0.547 4.612 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.462 1.959 5.149 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.222 0.621 3.205 1.00 0.12 C ATOM 0 H LEU A 92 -3.147 -2.419 5.249 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.249 0.207 6.407 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.613 0.251 4.110 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.565 -1.220 4.116 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.404 0.046 5.255 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.399 2.515 5.103 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.122 1.906 6.183 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.709 2.466 4.545 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.135 1.216 3.198 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.481 1.085 2.554 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.441 -0.385 2.846 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.337 0.256 7.748 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.550 0.325 8.549 1.00 0.19 C ATOM 1329 C ASP A 93 -7.710 0.758 7.664 1.00 0.17 C ATOM 1330 O ASP A 93 -7.770 1.904 7.236 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.369 1.325 9.687 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.554 1.347 10.630 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -8.565 2.005 10.304 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -7.489 0.707 11.695 1.00 1.02 O ATOM 0 H ASP A 93 -4.749 1.087 7.809 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.759 -0.657 8.974 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.467 1.075 10.246 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.220 2.322 9.271 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.645 -0.148 7.370 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.737 0.121 6.426 1.00 0.19 C ATOM 1341 C PRO A 94 -10.622 1.296 6.845 1.00 0.23 C ATOM 1342 O PRO A 94 -11.329 1.885 6.024 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.545 -1.185 6.425 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.140 -1.893 7.673 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.717 -1.505 7.924 1.00 0.21 C ATOM 0 HA PRO A 94 -9.351 0.405 5.447 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.617 -0.986 6.415 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.324 -1.785 5.542 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.776 -1.604 8.509 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.236 -2.973 7.558 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.475 -1.521 8.987 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.020 -2.181 7.429 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.567 1.647 8.118 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.359 2.741 8.639 1.00 0.34 C ATOM 1355 C GLU A 95 -10.657 4.079 8.424 1.00 0.32 C ATOM 1356 O GLU A 95 -11.163 5.125 8.828 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.658 2.502 10.115 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.400 1.215 10.352 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.626 0.916 11.816 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.595 1.445 12.398 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -11.841 0.134 12.388 1.00 1.42 O ATOM 0 H GLU A 95 -9.978 1.186 8.811 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.303 2.783 8.095 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.722 2.486 10.674 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -12.247 3.334 10.502 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.364 1.261 9.845 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.842 0.394 9.903 1.00 0.69 H new ATOM 1368 N THR A 96 -9.500 4.049 7.776 1.00 0.23 N ATOM 1369 CA THR A 96 -8.783 5.272 7.467 1.00 0.24 C ATOM 1370 C THR A 96 -9.060 5.735 6.040 1.00 0.23 C ATOM 1371 O THR A 96 -8.680 6.839 5.649 1.00 0.30 O ATOM 1372 CB THR A 96 -7.277 5.101 7.657 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.758 4.176 6.705 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.964 4.625 9.065 1.00 0.31 C ATOM 0 H THR A 96 -9.043 3.195 7.457 1.00 0.23 H new ATOM 0 HA THR A 96 -9.144 6.030 8.163 1.00 0.24 H new ATOM 0 HB THR A 96 -6.803 6.071 7.503 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.826 3.266 7.062 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.886 4.510 9.179 1.00 0.31 H new ATOM 0 HG22 THR A 96 -7.329 5.357 9.786 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.452 3.667 9.242 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.714 4.868 5.270 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.246 5.214 3.938 1.00 0.23 C ATOM 1384 C VAL A 97 -11.148 6.459 3.990 1.00 0.29 C ATOM 1385 O VAL A 97 -11.542 7.006 2.960 1.00 0.64 O ATOM 1386 CB VAL A 97 -11.049 4.025 3.354 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.710 4.380 2.024 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.150 2.811 3.186 1.00 0.51 C ATOM 0 H VAL A 97 -9.894 3.903 5.545 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.393 5.435 3.297 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.843 3.789 4.063 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.262 3.518 1.651 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.396 5.215 2.170 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.944 4.661 1.301 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.729 1.984 2.775 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.333 3.055 2.507 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.743 2.523 4.155 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.464 6.916 5.194 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.359 8.044 5.371 1.00 0.38 C ATOM 1400 C LYS A 98 -11.687 9.353 4.988 1.00 0.40 C ATOM 1401 O LYS A 98 -11.338 10.160 5.856 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.881 8.123 6.804 1.00 0.55 C ATOM 1403 CG LYS A 98 -14.144 7.313 7.068 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.858 5.878 7.485 1.00 0.53 C ATOM 1405 CE LYS A 98 -13.348 5.030 6.339 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.760 3.608 6.472 1.00 2.40 N ATOM 0 H LYS A 98 -11.110 6.519 6.064 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.206 7.884 4.704 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.098 7.780 7.481 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.078 9.167 7.047 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.726 7.803 7.849 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.759 7.308 6.168 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.122 5.877 8.289 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.768 5.432 7.886 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -13.724 5.430 5.397 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -12.260 5.090 6.300 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.979 2.991 6.171 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.998 3.407 7.464 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.592 3.430 5.874 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.486 9.526 3.680 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.055 10.788 3.088 1.00 0.58 C ATOM 1422 C LEU A 99 -9.587 11.096 3.371 1.00 0.73 C ATOM 1423 O LEU A 99 -8.794 11.237 2.442 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.953 11.934 3.552 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.348 11.995 2.907 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.244 12.009 1.388 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.224 10.841 3.373 1.00 0.76 C ATOM 0 H LEU A 99 -11.621 8.782 2.996 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.150 10.683 2.007 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -12.076 11.859 4.632 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.440 12.875 3.354 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.819 12.924 3.228 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.243 12.052 0.955 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.673 12.881 1.070 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.741 11.103 1.049 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.203 10.913 2.899 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.757 9.895 3.098 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.341 10.887 4.456 1.00 0.76 H new ATOM 1439 N GLU A 100 -9.233 11.207 4.641 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.861 11.491 5.033 1.00 1.25 C ATOM 1441 C GLU A 100 -7.658 11.116 6.497 1.00 2.09 C ATOM 1442 O GLU A 100 -6.998 10.124 6.808 1.00 2.87 O ATOM 1443 CB GLU A 100 -7.543 12.973 4.786 1.00 2.15 C ATOM 1444 CG GLU A 100 -6.061 13.333 4.855 1.00 2.70 C ATOM 1445 CD GLU A 100 -5.528 13.446 6.270 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -5.992 14.331 7.020 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -4.651 12.639 6.644 1.00 4.13 O ATOM 0 H GLU A 100 -9.880 11.104 5.422 1.00 1.05 H new ATOM 0 HA GLU A 100 -7.175 10.895 4.430 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.924 13.253 3.804 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -8.082 13.572 5.520 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -5.487 12.577 4.319 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -5.901 14.280 4.339 1.00 2.70 H new ATOM 1454 N HIS A 101 -8.252 11.894 7.391 1.00 2.68 N ATOM 1455 CA HIS A 101 -8.126 11.652 8.819 1.00 3.89 C ATOM 1456 C HIS A 101 -9.327 12.246 9.540 1.00 4.59 C ATOM 1457 O HIS A 101 -9.288 13.447 9.867 1.00 5.06 O ATOM 1458 CB HIS A 101 -6.825 12.273 9.345 1.00 4.61 C ATOM 1459 CG HIS A 101 -6.421 11.809 10.713 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -5.335 10.988 10.934 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -6.946 12.069 11.933 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -5.212 10.764 12.229 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -6.176 11.409 12.856 1.00 6.64 N ATOM 0 H HIS A 101 -8.828 12.701 7.150 1.00 2.68 H new ATOM 0 HA HIS A 101 -8.094 10.578 9.004 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -6.020 12.045 8.646 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -6.936 13.357 9.361 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -7.810 12.682 12.141 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -4.451 10.156 12.696 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -6.325 11.416 13.865 1.00 6.64 H new TER 1472 HIS A 101