USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 773 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 39 HIS : no HD1:sc= -14.3! C(o=-23!,f=-24!) USER MOD Set 1.2: A 89 CYS SG : rot -136:sc= 0.237 USER MOD Set 1.3: A 92 HIS : no HD1:sc= -9.06! C(o=-23!,f=-25!) USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 74 THR OG1 : rot -142:sc= 0.134 USER MOD Set 3.1: A 67 SER OG : rot -171:sc= -0.159 USER MOD Set 3.2: A 70 GLN :FLIP amide:sc= 0.00199 F(o=-1.3!,f=-0.16) USER MOD Set 4.1: A 40 ASN : amide:sc= -0.155 X(o=-6.1,f=-5.8) USER MOD Set 4.2: A 61 HIS : no HE2:sc= -5.93! C(o=-6.1!,f=-14!) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 20:sc= 0.825 USER MOD Single : A 4 THR OG1 : rot -14:sc= 0.305 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -6.93! C(o=-6.9!,f=-17!) USER MOD Single : A 34 ASN : amide:sc= -1.6! C(o=-1.6!,f=-5.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -4.13! C(o=-4.1!,f=-12!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 53:sc= 0.957 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.147 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.37) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -49:sc= -4.2! USER MOD Single : A 73 SER OG : rot 180:sc= 0.0868 USER MOD Single : A 85 TYR OH : rot 71:sc= -6.05! USER MOD Single : A 86 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 141:sc= -4.96! (180deg=-8.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 76:sc= 0.426 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 3.714 13.716 2.367 1.00 0.00 N ATOM 19 CA THR A 2 2.537 12.961 2.880 1.00 0.00 C ATOM 20 C THR A 2 1.565 12.675 1.735 1.00 0.00 C ATOM 21 O THR A 2 1.097 13.573 1.063 1.00 0.00 O ATOM 22 CB THR A 2 1.826 13.789 3.953 1.00 0.00 C ATOM 23 OG1 THR A 2 2.711 14.787 4.442 1.00 0.00 O ATOM 24 CG2 THR A 2 1.397 12.875 5.101 1.00 0.00 C ATOM 0 HA THR A 2 2.877 12.018 3.309 1.00 0.00 H new ATOM 0 HB THR A 2 0.945 14.265 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.431 14.932 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.891 13.464 5.865 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.718 12.110 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.276 12.398 5.534 1.00 0.00 H new ATOM 32 N TYR A 3 1.253 11.429 1.513 1.00 0.00 N ATOM 33 CA TYR A 3 0.305 11.077 0.420 1.00 0.00 C ATOM 34 C TYR A 3 -0.824 10.225 1.000 1.00 0.00 C ATOM 35 O TYR A 3 -0.767 9.804 2.138 1.00 0.00 O ATOM 36 CB TYR A 3 1.044 10.286 -0.661 1.00 0.00 C ATOM 37 CG TYR A 3 2.318 11.008 -1.030 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.415 10.985 -0.160 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.401 11.704 -2.241 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.595 11.656 -0.502 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.580 12.376 -2.584 1.00 0.00 C ATOM 42 CZ TYR A 3 4.677 12.353 -1.714 1.00 0.00 C ATOM 43 OH TYR A 3 5.840 13.016 -2.052 1.00 0.00 O ATOM 0 H TYR A 3 1.615 10.637 2.043 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.108 11.985 -0.021 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.273 9.283 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.410 10.172 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.351 10.449 0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.555 11.723 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.442 11.636 0.168 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.644 12.912 -3.519 1.00 0.00 H new ATOM 0 HH TYR A 3 5.729 13.447 -2.925 1.00 0.00 H new ATOM 53 N THR A 4 -1.851 9.967 0.237 1.00 0.00 N ATOM 54 CA THR A 4 -2.971 9.143 0.772 1.00 0.00 C ATOM 55 C THR A 4 -3.755 8.507 -0.379 1.00 0.00 C ATOM 56 O THR A 4 -4.353 9.188 -1.187 1.00 0.00 O ATOM 57 CB THR A 4 -3.908 10.030 1.595 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.198 10.563 2.706 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.093 9.201 2.094 1.00 0.00 C ATOM 0 H THR A 4 -1.963 10.288 -0.725 1.00 0.00 H new ATOM 0 HA THR A 4 -2.561 8.354 1.402 1.00 0.00 H new ATOM 0 HB THR A 4 -4.276 10.846 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.355 10.076 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.759 9.834 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.636 8.793 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.729 8.384 2.717 1.00 0.00 H new ATOM 67 N VAL A 5 -3.762 7.202 -0.452 1.00 0.00 N ATOM 68 CA VAL A 5 -4.509 6.516 -1.537 1.00 0.00 C ATOM 69 C VAL A 5 -5.865 6.054 -0.995 1.00 0.00 C ATOM 70 O VAL A 5 -6.119 6.113 0.192 1.00 0.00 O ATOM 71 CB VAL A 5 -3.706 5.304 -2.003 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.276 5.733 -2.332 1.00 0.00 C ATOM 73 CG2 VAL A 5 -3.679 4.252 -0.892 1.00 0.00 C ATOM 0 H VAL A 5 -3.279 6.582 0.198 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.663 7.197 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.172 4.882 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.704 4.867 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.294 6.482 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.809 6.156 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.106 3.386 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.214 4.675 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.698 3.944 -0.658 1.00 0.00 H new ATOM 83 N LYS A 6 -6.739 5.593 -1.849 1.00 0.00 N ATOM 84 CA LYS A 6 -8.072 5.132 -1.365 1.00 0.00 C ATOM 85 C LYS A 6 -8.527 3.917 -2.174 1.00 0.00 C ATOM 86 O LYS A 6 -9.228 4.042 -3.159 1.00 0.00 O ATOM 87 CB LYS A 6 -9.096 6.258 -1.528 1.00 0.00 C ATOM 88 CG LYS A 6 -10.485 5.742 -1.144 1.00 0.00 C ATOM 89 CD LYS A 6 -11.450 6.920 -0.999 1.00 0.00 C ATOM 90 CE LYS A 6 -12.746 6.438 -0.346 1.00 0.00 C ATOM 91 NZ LYS A 6 -13.127 7.372 0.750 1.00 0.00 N ATOM 0 H LYS A 6 -6.589 5.516 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.992 4.858 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.824 7.106 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.100 6.614 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.850 5.052 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.431 5.186 -0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.995 7.705 -0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.662 7.353 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.543 6.387 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.614 5.431 0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.008 7.045 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.369 7.399 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.270 8.325 0.360 1.00 0.00 H new ATOM 105 N LEU A 7 -8.141 2.739 -1.764 1.00 0.00 N ATOM 106 CA LEU A 7 -8.558 1.520 -2.504 1.00 0.00 C ATOM 107 C LEU A 7 -10.074 1.547 -2.707 1.00 0.00 C ATOM 108 O LEU A 7 -10.834 1.225 -1.816 1.00 0.00 O ATOM 109 CB LEU A 7 -8.177 0.274 -1.701 1.00 0.00 C ATOM 110 CG LEU A 7 -8.197 0.584 -0.203 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.869 -0.566 0.548 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.762 0.751 0.301 1.00 0.00 C ATOM 0 H LEU A 7 -7.554 2.571 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.056 1.494 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.872 -0.536 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.185 -0.068 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.754 1.505 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.883 -0.345 1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.891 -0.687 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.313 -1.487 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.775 0.972 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.206 -0.170 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.282 1.571 -0.234 1.00 0.00 H new ATOM 124 N GLY A 8 -10.520 1.930 -3.871 1.00 0.00 N ATOM 125 CA GLY A 8 -11.987 1.977 -4.124 1.00 0.00 C ATOM 126 C GLY A 8 -12.361 3.343 -4.698 1.00 0.00 C ATOM 127 O GLY A 8 -12.513 4.309 -3.977 1.00 0.00 O ATOM 0 H GLY A 8 -9.933 2.212 -4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.272 1.188 -4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.533 1.798 -3.198 1.00 0.00 H new ATOM 131 N SER A 9 -12.510 3.434 -5.992 1.00 0.00 N ATOM 132 CA SER A 9 -12.873 4.741 -6.608 1.00 0.00 C ATOM 133 C SER A 9 -14.046 5.356 -5.840 1.00 0.00 C ATOM 134 O SER A 9 -13.861 6.004 -4.829 1.00 0.00 O ATOM 135 CB SER A 9 -13.270 4.525 -8.070 1.00 0.00 C ATOM 136 OG SER A 9 -13.974 3.295 -8.189 1.00 0.00 O ATOM 0 H SER A 9 -12.396 2.661 -6.648 1.00 0.00 H new ATOM 0 HA SER A 9 -12.018 5.415 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.894 5.349 -8.415 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.382 4.512 -8.702 1.00 0.00 H new ATOM 0 HG SER A 9 -14.231 3.154 -9.124 1.00 0.00 H new ATOM 142 N ASP A 10 -15.251 5.158 -6.306 1.00 0.00 N ATOM 143 CA ASP A 10 -16.427 5.734 -5.593 1.00 0.00 C ATOM 144 C ASP A 10 -17.703 5.426 -6.380 1.00 0.00 C ATOM 145 O ASP A 10 -18.636 6.205 -6.394 1.00 0.00 O ATOM 146 CB ASP A 10 -16.259 7.251 -5.473 1.00 0.00 C ATOM 147 CG ASP A 10 -17.437 7.836 -4.692 1.00 0.00 C ATOM 148 OD1 ASP A 10 -18.116 7.075 -4.024 1.00 0.00 O ATOM 149 OD2 ASP A 10 -17.639 9.037 -4.776 1.00 0.00 O ATOM 0 H ASP A 10 -15.471 4.624 -7.147 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.497 5.295 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.322 7.485 -4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.207 7.701 -6.464 1.00 0.00 H new ATOM 154 N LYS A 11 -17.755 4.298 -7.035 1.00 0.00 N ATOM 155 CA LYS A 11 -18.974 3.948 -7.817 1.00 0.00 C ATOM 156 C LYS A 11 -19.340 2.483 -7.569 1.00 0.00 C ATOM 157 O LYS A 11 -20.493 2.144 -7.389 1.00 0.00 O ATOM 158 CB LYS A 11 -18.702 4.159 -9.309 1.00 0.00 C ATOM 159 CG LYS A 11 -19.969 4.687 -9.986 1.00 0.00 C ATOM 160 CD LYS A 11 -20.134 4.026 -11.357 1.00 0.00 C ATOM 161 CE LYS A 11 -21.506 4.388 -11.934 1.00 0.00 C ATOM 162 NZ LYS A 11 -22.294 3.144 -12.166 1.00 0.00 N ATOM 0 H LYS A 11 -17.007 3.605 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.800 4.586 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.883 4.865 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.394 3.221 -9.770 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.839 4.479 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.909 5.770 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.344 4.359 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.040 2.944 -11.265 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.039 5.045 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.386 4.934 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.225 3.391 -12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.787 2.532 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.420 2.640 -11.265 1.00 0.00 H new ATOM 176 N GLY A 12 -18.369 1.612 -7.561 1.00 0.00 N ATOM 177 CA GLY A 12 -18.664 0.169 -7.327 1.00 0.00 C ATOM 178 C GLY A 12 -17.449 -0.671 -7.728 1.00 0.00 C ATOM 179 O GLY A 12 -17.575 -1.692 -8.374 1.00 0.00 O ATOM 0 H GLY A 12 -17.385 1.836 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.905 0.002 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.536 -0.134 -7.906 1.00 0.00 H new ATOM 183 N LEU A 13 -16.273 -0.250 -7.349 1.00 0.00 N ATOM 184 CA LEU A 13 -15.053 -1.026 -7.709 1.00 0.00 C ATOM 185 C LEU A 13 -13.975 -0.804 -6.645 1.00 0.00 C ATOM 186 O LEU A 13 -14.022 0.145 -5.888 1.00 0.00 O ATOM 187 CB LEU A 13 -14.530 -0.557 -9.069 1.00 0.00 C ATOM 188 CG LEU A 13 -15.209 -1.357 -10.182 1.00 0.00 C ATOM 189 CD1 LEU A 13 -14.793 -0.796 -11.542 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.785 -2.825 -10.087 1.00 0.00 C ATOM 0 H LEU A 13 -16.105 0.597 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 13 -15.301 -2.086 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -14.728 0.507 -9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -13.449 -0.689 -9.120 1.00 0.00 H new ATOM 0 HG LEU A 13 -16.291 -1.282 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -15.277 -1.367 -12.334 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -15.094 0.249 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.711 -0.870 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -15.269 -3.395 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.703 -2.899 -10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -15.081 -3.227 -9.118 1.00 0.00 H new ATOM 202 N LEU A 14 -13.005 -1.674 -6.582 1.00 0.00 N ATOM 203 CA LEU A 14 -11.925 -1.517 -5.568 1.00 0.00 C ATOM 204 C LEU A 14 -10.575 -1.395 -6.275 1.00 0.00 C ATOM 205 O LEU A 14 -10.021 -2.368 -6.741 1.00 0.00 O ATOM 206 CB LEU A 14 -11.912 -2.739 -4.651 1.00 0.00 C ATOM 207 CG LEU A 14 -13.241 -2.824 -3.904 1.00 0.00 C ATOM 208 CD1 LEU A 14 -13.523 -4.279 -3.528 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.164 -1.974 -2.634 1.00 0.00 C ATOM 0 H LEU A 14 -12.914 -2.488 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.106 -0.619 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.752 -3.645 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -11.087 -2.667 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.043 -2.453 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.472 -4.340 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.576 -4.885 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.723 -4.651 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.112 -2.033 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.363 -2.346 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.963 -0.937 -2.902 1.00 0.00 H new ATOM 221 N VAL A 15 -10.043 -0.207 -6.363 1.00 0.00 N ATOM 222 CA VAL A 15 -8.732 -0.030 -7.048 1.00 0.00 C ATOM 223 C VAL A 15 -7.978 1.147 -6.424 1.00 0.00 C ATOM 224 O VAL A 15 -8.551 2.177 -6.132 1.00 0.00 O ATOM 225 CB VAL A 15 -8.977 0.254 -8.530 1.00 0.00 C ATOM 226 CG1 VAL A 15 -9.653 -0.955 -9.179 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.888 1.478 -8.667 1.00 0.00 C ATOM 0 H VAL A 15 -10.459 0.647 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.138 -0.937 -6.937 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.025 0.446 -9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.827 -0.751 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.009 -1.829 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.605 -1.148 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.065 1.684 -9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.839 1.281 -8.171 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.410 2.341 -8.205 1.00 0.00 H new ATOM 237 N PHE A 16 -6.694 1.008 -6.225 1.00 0.00 N ATOM 238 CA PHE A 16 -5.912 2.127 -5.629 1.00 0.00 C ATOM 239 C PHE A 16 -6.099 3.376 -6.493 1.00 0.00 C ATOM 240 O PHE A 16 -6.372 3.286 -7.674 1.00 0.00 O ATOM 241 CB PHE A 16 -4.428 1.752 -5.582 1.00 0.00 C ATOM 242 CG PHE A 16 -4.140 0.964 -4.325 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.463 -0.398 -4.263 1.00 0.00 C ATOM 244 CD2 PHE A 16 -3.548 1.593 -3.223 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.194 -1.129 -3.099 1.00 0.00 C ATOM 246 CE2 PHE A 16 -3.280 0.862 -2.059 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.603 -0.499 -1.997 1.00 0.00 C ATOM 0 H PHE A 16 -6.156 0.171 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.261 2.322 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.164 1.163 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.815 2.653 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.919 -0.884 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.298 2.643 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -4.442 -2.179 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.824 1.348 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.396 -1.063 -1.099 1.00 0.00 H new ATOM 257 N GLU A 17 -5.962 4.541 -5.922 1.00 0.00 N ATOM 258 CA GLU A 17 -6.144 5.784 -6.724 1.00 0.00 C ATOM 259 C GLU A 17 -5.150 6.855 -6.256 1.00 0.00 C ATOM 260 O GLU A 17 -5.349 7.465 -5.224 1.00 0.00 O ATOM 261 CB GLU A 17 -7.571 6.301 -6.530 1.00 0.00 C ATOM 262 CG GLU A 17 -8.491 5.668 -7.576 1.00 0.00 C ATOM 263 CD GLU A 17 -8.362 6.425 -8.898 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.466 6.100 -9.659 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.161 7.317 -9.127 1.00 0.00 O ATOM 0 H GLU A 17 -5.733 4.686 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.967 5.565 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.923 6.060 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.591 7.387 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.229 4.620 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.524 5.694 -7.230 1.00 0.00 H new ATOM 272 N PRO A 18 -4.107 7.059 -7.028 1.00 0.00 N ATOM 273 CA PRO A 18 -3.857 6.322 -8.281 1.00 0.00 C ATOM 274 C PRO A 18 -3.269 4.941 -7.981 1.00 0.00 C ATOM 275 O PRO A 18 -3.037 4.589 -6.841 1.00 0.00 O ATOM 276 CB PRO A 18 -2.831 7.195 -9.006 1.00 0.00 C ATOM 277 CG PRO A 18 -2.137 8.051 -7.926 1.00 0.00 C ATOM 278 CD PRO A 18 -3.073 8.062 -6.707 1.00 0.00 C ATOM 0 HA PRO A 18 -4.761 6.150 -8.865 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.105 6.579 -9.538 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.317 7.828 -9.749 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.165 7.632 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.961 9.064 -8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.538 7.803 -5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.511 9.048 -6.551 1.00 0.00 H new ATOM 286 N ALA A 19 -3.021 4.158 -8.994 1.00 0.00 N ATOM 287 CA ALA A 19 -2.442 2.807 -8.765 1.00 0.00 C ATOM 288 C ALA A 19 -0.971 2.949 -8.369 1.00 0.00 C ATOM 289 O ALA A 19 -0.531 2.406 -7.374 1.00 0.00 O ATOM 290 CB ALA A 19 -2.553 1.980 -10.047 1.00 0.00 C ATOM 0 H ALA A 19 -3.195 4.396 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.987 2.305 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.129 0.990 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.602 1.883 -10.327 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.008 2.477 -10.849 1.00 0.00 H new ATOM 296 N LYS A 20 -0.206 3.678 -9.137 1.00 0.00 N ATOM 297 CA LYS A 20 1.234 3.859 -8.799 1.00 0.00 C ATOM 298 C LYS A 20 1.422 5.206 -8.100 1.00 0.00 C ATOM 299 O LYS A 20 0.734 6.166 -8.386 1.00 0.00 O ATOM 300 CB LYS A 20 2.072 3.822 -10.079 1.00 0.00 C ATOM 301 CG LYS A 20 1.443 4.735 -11.133 1.00 0.00 C ATOM 302 CD LYS A 20 2.434 4.946 -12.280 1.00 0.00 C ATOM 303 CE LYS A 20 2.070 4.029 -13.450 1.00 0.00 C ATOM 304 NZ LYS A 20 1.111 4.729 -14.350 1.00 0.00 N ATOM 0 H LYS A 20 -0.517 4.155 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 20 1.557 3.056 -8.137 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.092 4.144 -9.867 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.132 2.801 -10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.522 4.292 -11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.176 5.693 -10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.416 5.987 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.448 4.734 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.968 3.753 -14.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.628 3.105 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.863 4.106 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.250 4.971 -13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.549 5.599 -14.715 1.00 0.00 H new ATOM 318 N LEU A 21 2.343 5.287 -7.180 1.00 0.00 N ATOM 319 CA LEU A 21 2.564 6.574 -6.461 1.00 0.00 C ATOM 320 C LEU A 21 4.063 6.800 -6.250 1.00 0.00 C ATOM 321 O LEU A 21 4.808 5.878 -5.982 1.00 0.00 O ATOM 322 CB LEU A 21 1.863 6.519 -5.103 1.00 0.00 C ATOM 323 CG LEU A 21 0.701 7.513 -5.083 1.00 0.00 C ATOM 324 CD1 LEU A 21 -0.371 7.021 -4.109 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.213 8.881 -4.629 1.00 0.00 C ATOM 0 H LEU A 21 2.951 4.519 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 21 2.158 7.394 -7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.495 5.511 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.570 6.755 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 21 0.274 7.597 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.200 7.728 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.733 6.044 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.056 6.940 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.387 9.592 -4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.638 8.797 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.980 9.230 -5.321 1.00 0.00 H new ATOM 337 N THR A 22 4.508 8.022 -6.362 1.00 0.00 N ATOM 338 CA THR A 22 5.956 8.311 -6.161 1.00 0.00 C ATOM 339 C THR A 22 6.144 9.014 -4.815 1.00 0.00 C ATOM 340 O THR A 22 5.515 10.016 -4.535 1.00 0.00 O ATOM 341 CB THR A 22 6.459 9.218 -7.288 1.00 0.00 C ATOM 342 OG1 THR A 22 6.133 8.636 -8.543 1.00 0.00 O ATOM 343 CG2 THR A 22 7.976 9.377 -7.178 1.00 0.00 C ATOM 0 H THR A 22 3.931 8.833 -6.584 1.00 0.00 H new ATOM 0 HA THR A 22 6.521 7.379 -6.171 1.00 0.00 H new ATOM 0 HB THR A 22 5.986 10.196 -7.206 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.453 9.216 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.333 10.023 -7.980 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.226 9.822 -6.215 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.451 8.399 -7.260 1.00 0.00 H new ATOM 351 N ILE A 23 6.999 8.497 -3.975 1.00 0.00 N ATOM 352 CA ILE A 23 7.215 9.135 -2.650 1.00 0.00 C ATOM 353 C ILE A 23 8.705 9.179 -2.330 1.00 0.00 C ATOM 354 O ILE A 23 9.524 8.645 -3.051 1.00 0.00 O ATOM 355 CB ILE A 23 6.498 8.326 -1.570 1.00 0.00 C ATOM 356 CG1 ILE A 23 6.863 6.845 -1.713 1.00 0.00 C ATOM 357 CG2 ILE A 23 4.991 8.499 -1.730 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.611 6.373 -0.462 1.00 0.00 C ATOM 0 H ILE A 23 7.556 7.661 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 23 6.819 10.150 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 23 6.803 8.679 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.961 6.250 -1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.484 6.697 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.475 7.923 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.733 9.553 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.687 8.144 -2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.869 5.319 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.522 6.959 -0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.975 6.505 0.413 1.00 0.00 H new ATOM 370 N LYS A 24 9.062 9.803 -1.243 1.00 0.00 N ATOM 371 CA LYS A 24 10.496 9.871 -0.865 1.00 0.00 C ATOM 372 C LYS A 24 10.792 8.758 0.144 1.00 0.00 C ATOM 373 O LYS A 24 9.891 8.079 0.594 1.00 0.00 O ATOM 374 CB LYS A 24 10.798 11.233 -0.236 1.00 0.00 C ATOM 375 CG LYS A 24 11.789 11.997 -1.117 1.00 0.00 C ATOM 376 CD LYS A 24 11.066 13.153 -1.813 1.00 0.00 C ATOM 377 CE LYS A 24 10.387 12.640 -3.084 1.00 0.00 C ATOM 378 NZ LYS A 24 8.926 12.929 -3.017 1.00 0.00 N ATOM 0 H LYS A 24 8.421 10.269 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 24 11.120 9.744 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.877 11.806 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.212 11.100 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.611 12.380 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.225 11.327 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.325 13.588 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.775 13.943 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.824 13.118 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.552 11.568 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.463 12.581 -3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.516 12.453 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.779 13.955 -2.935 1.00 0.00 H new ATOM 392 N PRO A 25 12.047 8.600 0.468 1.00 0.00 N ATOM 393 CA PRO A 25 12.490 7.572 1.422 1.00 0.00 C ATOM 394 C PRO A 25 12.201 8.017 2.858 1.00 0.00 C ATOM 395 O PRO A 25 13.004 8.678 3.486 1.00 0.00 O ATOM 396 CB PRO A 25 13.997 7.472 1.169 1.00 0.00 C ATOM 397 CG PRO A 25 14.418 8.809 0.513 1.00 0.00 C ATOM 398 CD PRO A 25 13.138 9.431 -0.080 1.00 0.00 C ATOM 0 HA PRO A 25 11.980 6.617 1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.538 7.309 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.226 6.630 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.868 9.476 1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.163 8.641 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.029 10.475 0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.150 9.405 -1.170 1.00 0.00 H new ATOM 406 N GLY A 26 11.057 7.663 3.380 1.00 0.00 N ATOM 407 CA GLY A 26 10.719 8.072 4.773 1.00 0.00 C ATOM 408 C GLY A 26 9.406 8.850 4.770 1.00 0.00 C ATOM 409 O GLY A 26 8.822 9.106 5.804 1.00 0.00 O ATOM 0 H GLY A 26 10.344 7.110 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.631 7.192 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.518 8.687 5.187 1.00 0.00 H new ATOM 413 N ASP A 27 8.932 9.225 3.613 1.00 0.00 N ATOM 414 CA ASP A 27 7.653 9.982 3.548 1.00 0.00 C ATOM 415 C ASP A 27 6.558 9.176 4.250 1.00 0.00 C ATOM 416 O ASP A 27 6.800 8.106 4.772 1.00 0.00 O ATOM 417 CB ASP A 27 7.265 10.207 2.084 1.00 0.00 C ATOM 418 CG ASP A 27 8.226 11.215 1.450 1.00 0.00 C ATOM 419 OD1 ASP A 27 9.348 11.309 1.919 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.822 11.875 0.507 1.00 0.00 O ATOM 0 H ASP A 27 9.375 9.040 2.713 1.00 0.00 H new ATOM 0 HA ASP A 27 7.772 10.947 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.299 9.264 1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.241 10.575 2.021 1.00 0.00 H new ATOM 425 N THR A 28 5.356 9.679 4.267 1.00 0.00 N ATOM 426 CA THR A 28 4.254 8.942 4.932 1.00 0.00 C ATOM 427 C THR A 28 3.114 8.724 3.936 1.00 0.00 C ATOM 428 O THR A 28 2.799 9.586 3.140 1.00 0.00 O ATOM 429 CB THR A 28 3.743 9.752 6.127 1.00 0.00 C ATOM 430 OG1 THR A 28 4.800 9.937 7.058 1.00 0.00 O ATOM 431 CG2 THR A 28 2.592 9.005 6.802 1.00 0.00 C ATOM 0 H THR A 28 5.092 10.570 3.848 1.00 0.00 H new ATOM 0 HA THR A 28 4.621 7.977 5.281 1.00 0.00 H new ATOM 0 HB THR A 28 3.387 10.723 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.475 10.457 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.231 9.584 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.781 8.865 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.943 8.033 7.148 1.00 0.00 H new ATOM 439 N VAL A 29 2.493 7.578 3.974 1.00 0.00 N ATOM 440 CA VAL A 29 1.378 7.305 3.032 1.00 0.00 C ATOM 441 C VAL A 29 0.180 6.761 3.809 1.00 0.00 C ATOM 442 O VAL A 29 0.257 5.729 4.445 1.00 0.00 O ATOM 443 CB VAL A 29 1.821 6.276 1.989 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.064 6.514 0.682 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.324 6.419 1.736 1.00 0.00 C ATOM 0 H VAL A 29 2.712 6.819 4.619 1.00 0.00 H new ATOM 0 HA VAL A 29 1.098 8.229 2.527 1.00 0.00 H new ATOM 0 HB VAL A 29 1.606 5.273 2.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.380 5.781 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.007 6.413 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.279 7.518 0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.639 5.686 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.537 7.423 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.867 6.250 2.666 1.00 0.00 H new ATOM 455 N GLU A 30 -0.928 7.448 3.765 1.00 0.00 N ATOM 456 CA GLU A 30 -2.128 6.972 4.502 1.00 0.00 C ATOM 457 C GLU A 30 -3.074 6.261 3.533 1.00 0.00 C ATOM 458 O GLU A 30 -3.324 6.726 2.440 1.00 0.00 O ATOM 459 CB GLU A 30 -2.848 8.165 5.132 1.00 0.00 C ATOM 460 CG GLU A 30 -4.149 7.689 5.780 1.00 0.00 C ATOM 461 CD GLU A 30 -4.801 8.849 6.535 1.00 0.00 C ATOM 462 OE1 GLU A 30 -4.346 9.149 7.627 1.00 0.00 O ATOM 463 OE2 GLU A 30 -5.744 9.416 6.010 1.00 0.00 O ATOM 0 H GLU A 30 -1.053 8.319 3.249 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.820 6.279 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.209 8.637 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.061 8.918 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.829 7.310 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.946 6.865 6.464 1.00 0.00 H new ATOM 470 N PHE A 31 -3.606 5.137 3.925 1.00 0.00 N ATOM 471 CA PHE A 31 -4.537 4.402 3.023 1.00 0.00 C ATOM 472 C PHE A 31 -5.836 4.112 3.782 1.00 0.00 C ATOM 473 O PHE A 31 -5.844 3.999 4.991 1.00 0.00 O ATOM 474 CB PHE A 31 -3.898 3.081 2.565 1.00 0.00 C ATOM 475 CG PHE A 31 -2.396 3.123 2.771 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.852 2.761 4.009 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.551 3.522 1.726 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.466 2.798 4.204 1.00 0.00 C ATOM 479 CE2 PHE A 31 -0.165 3.557 1.922 1.00 0.00 C ATOM 480 CZ PHE A 31 0.377 3.196 3.161 1.00 0.00 C ATOM 0 H PHE A 31 -3.437 4.696 4.829 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.748 5.010 2.144 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.325 2.249 3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.123 2.906 1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.502 2.453 4.815 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.969 3.802 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.048 2.519 5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.486 3.863 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.446 3.225 3.312 1.00 0.00 H new ATOM 490 N LEU A 32 -6.938 4.002 3.088 1.00 0.00 N ATOM 491 CA LEU A 32 -8.228 3.729 3.781 1.00 0.00 C ATOM 492 C LEU A 32 -9.060 2.742 2.957 1.00 0.00 C ATOM 493 O LEU A 32 -8.590 2.165 1.997 1.00 0.00 O ATOM 494 CB LEU A 32 -9.026 5.030 3.952 1.00 0.00 C ATOM 495 CG LEU A 32 -8.102 6.248 3.854 1.00 0.00 C ATOM 496 CD1 LEU A 32 -8.029 6.719 2.401 1.00 0.00 C ATOM 497 CD2 LEU A 32 -8.658 7.377 4.724 1.00 0.00 C ATOM 0 H LEU A 32 -6.999 4.089 2.074 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.012 3.305 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.800 5.091 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.532 5.028 4.917 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.104 5.976 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.371 7.586 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.637 5.916 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.026 6.992 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.002 8.245 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.655 7.647 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.713 7.044 5.760 1.00 0.00 H new ATOM 509 N ASN A 33 -10.299 2.553 3.326 1.00 0.00 N ATOM 510 CA ASN A 33 -11.174 1.614 2.569 1.00 0.00 C ATOM 511 C ASN A 33 -12.299 2.411 1.898 1.00 0.00 C ATOM 512 O ASN A 33 -12.490 3.578 2.174 1.00 0.00 O ATOM 513 CB ASN A 33 -11.764 0.572 3.533 1.00 0.00 C ATOM 514 CG ASN A 33 -13.024 1.108 4.206 1.00 0.00 C ATOM 515 OD1 ASN A 33 -13.234 2.303 4.280 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.873 0.263 4.707 1.00 0.00 N ATOM 0 H ASN A 33 -10.743 3.011 4.122 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.593 1.097 1.805 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.998 -0.342 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.025 0.311 4.290 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.720 0.601 5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.693 -0.739 4.643 1.00 0.00 H new ATOM 523 N ASN A 34 -13.048 1.794 1.027 1.00 0.00 N ATOM 524 CA ASN A 34 -14.157 2.530 0.357 1.00 0.00 C ATOM 525 C ASN A 34 -15.503 2.002 0.866 1.00 0.00 C ATOM 526 O ASN A 34 -15.994 2.424 1.894 1.00 0.00 O ATOM 527 CB ASN A 34 -14.064 2.336 -1.157 1.00 0.00 C ATOM 528 CG ASN A 34 -15.289 2.958 -1.824 1.00 0.00 C ATOM 529 OD1 ASN A 34 -16.099 3.586 -1.171 1.00 0.00 O ATOM 530 ND2 ASN A 34 -15.460 2.809 -3.107 1.00 0.00 N ATOM 0 H ASN A 34 -12.942 0.818 0.751 1.00 0.00 H new ATOM 0 HA ASN A 34 -14.077 3.593 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.154 2.799 -1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.006 1.274 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.274 3.220 -3.564 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.780 2.282 -3.654 1.00 0.00 H new ATOM 537 N LYS A 35 -16.104 1.080 0.162 1.00 0.00 N ATOM 538 CA LYS A 35 -17.414 0.532 0.618 1.00 0.00 C ATOM 539 C LYS A 35 -17.475 -0.962 0.305 1.00 0.00 C ATOM 540 O LYS A 35 -18.522 -1.509 0.021 1.00 0.00 O ATOM 541 CB LYS A 35 -18.555 1.258 -0.099 1.00 0.00 C ATOM 542 CG LYS A 35 -19.739 1.428 0.857 1.00 0.00 C ATOM 543 CD LYS A 35 -20.145 2.903 0.909 1.00 0.00 C ATOM 544 CE LYS A 35 -20.500 3.289 2.347 1.00 0.00 C ATOM 545 NZ LYS A 35 -19.270 3.731 3.063 1.00 0.00 N ATOM 0 H LYS A 35 -15.745 0.684 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.516 0.682 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.215 2.233 -0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.863 0.692 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -20.580 0.820 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.469 1.079 1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.329 3.528 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -20.998 3.079 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -21.241 4.089 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.948 2.439 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.512 3.993 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.577 2.955 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.861 4.553 2.575 1.00 0.00 H new ATOM 559 N VAL A 36 -16.355 -1.625 0.367 1.00 0.00 N ATOM 560 CA VAL A 36 -16.327 -3.088 0.087 1.00 0.00 C ATOM 561 C VAL A 36 -15.177 -3.726 0.873 1.00 0.00 C ATOM 562 O VAL A 36 -14.279 -4.306 0.294 1.00 0.00 O ATOM 563 CB VAL A 36 -16.113 -3.318 -1.410 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.222 -4.812 -1.718 1.00 0.00 C ATOM 565 CG2 VAL A 36 -17.180 -2.556 -2.200 1.00 0.00 C ATOM 0 H VAL A 36 -15.451 -1.214 0.601 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.273 -3.538 0.388 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.124 -2.960 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.069 -4.976 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.463 -5.356 -1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.211 -5.171 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.028 -2.719 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.169 -2.915 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.103 -1.491 -1.981 1.00 0.00 H new ATOM 575 N PRO A 37 -15.236 -3.589 2.174 1.00 0.00 N ATOM 576 CA PRO A 37 -14.207 -4.132 3.081 1.00 0.00 C ATOM 577 C PRO A 37 -14.386 -5.641 3.271 1.00 0.00 C ATOM 578 O PRO A 37 -15.360 -6.212 2.820 1.00 0.00 O ATOM 579 CB PRO A 37 -14.465 -3.390 4.395 1.00 0.00 C ATOM 580 CG PRO A 37 -15.935 -2.913 4.348 1.00 0.00 C ATOM 581 CD PRO A 37 -16.338 -2.883 2.863 1.00 0.00 C ATOM 0 HA PRO A 37 -13.194 -3.995 2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.297 -4.045 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.786 -2.544 4.503 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.580 -3.588 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.037 -1.925 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.294 -3.381 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.445 -1.861 2.500 1.00 0.00 H new ATOM 589 N PRO A 38 -13.440 -6.238 3.953 1.00 0.00 N ATOM 590 CA PRO A 38 -12.263 -5.532 4.494 1.00 0.00 C ATOM 591 C PRO A 38 -11.197 -5.373 3.407 1.00 0.00 C ATOM 592 O PRO A 38 -11.488 -5.438 2.234 1.00 0.00 O ATOM 593 CB PRO A 38 -11.768 -6.469 5.598 1.00 0.00 C ATOM 594 CG PRO A 38 -12.301 -7.879 5.245 1.00 0.00 C ATOM 595 CD PRO A 38 -13.471 -7.679 4.264 1.00 0.00 C ATOM 0 HA PRO A 38 -12.489 -4.529 4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.679 -6.467 5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.134 -6.148 6.573 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.517 -8.487 4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.633 -8.402 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.345 -8.283 3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.421 -7.969 4.713 1.00 0.00 H new ATOM 603 N HIS A 39 -9.964 -5.172 3.789 1.00 0.00 N ATOM 604 CA HIS A 39 -8.885 -5.022 2.770 1.00 0.00 C ATOM 605 C HIS A 39 -7.527 -5.275 3.426 1.00 0.00 C ATOM 606 O HIS A 39 -7.208 -4.711 4.453 1.00 0.00 O ATOM 607 CB HIS A 39 -8.922 -3.612 2.179 1.00 0.00 C ATOM 608 CG HIS A 39 -10.114 -3.498 1.272 1.00 0.00 C ATOM 609 ND1 HIS A 39 -10.150 -4.100 0.016 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.333 -2.887 1.434 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.360 -3.841 -0.513 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.110 -3.114 0.308 1.00 0.00 N ATOM 0 H HIS A 39 -9.658 -5.105 4.760 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.040 -5.746 1.970 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.982 -2.870 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.005 -3.411 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -11.638 -2.320 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.682 -4.182 -1.486 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.063 -2.789 0.144 1.00 0.00 H new ATOM 620 N ASN A 40 -6.724 -6.121 2.842 1.00 0.00 N ATOM 621 CA ASN A 40 -5.390 -6.409 3.436 1.00 0.00 C ATOM 622 C ASN A 40 -4.317 -5.627 2.677 1.00 0.00 C ATOM 623 O ASN A 40 -3.960 -5.960 1.564 1.00 0.00 O ATOM 624 CB ASN A 40 -5.101 -7.908 3.332 1.00 0.00 C ATOM 625 CG ASN A 40 -4.656 -8.442 4.696 1.00 0.00 C ATOM 626 OD1 ASN A 40 -5.338 -9.248 5.298 1.00 0.00 O ATOM 627 ND2 ASN A 40 -3.533 -8.025 5.212 1.00 0.00 N ATOM 0 H ASN A 40 -6.934 -6.624 1.980 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.384 -6.110 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.992 -8.438 2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.324 -8.088 2.589 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.228 -8.375 6.120 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.960 -7.349 4.707 1.00 0.00 H new ATOM 634 N VAL A 41 -3.798 -4.588 3.271 1.00 0.00 N ATOM 635 CA VAL A 41 -2.747 -3.783 2.587 1.00 0.00 C ATOM 636 C VAL A 41 -1.376 -4.194 3.121 1.00 0.00 C ATOM 637 O VAL A 41 -1.106 -4.101 4.302 1.00 0.00 O ATOM 638 CB VAL A 41 -2.982 -2.298 2.867 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.748 -1.494 2.456 1.00 0.00 C ATOM 640 CG2 VAL A 41 -4.195 -1.820 2.067 1.00 0.00 C ATOM 0 H VAL A 41 -4.057 -4.261 4.202 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.789 -3.958 1.512 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.165 -2.153 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.919 -0.436 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.884 -1.836 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.560 -1.635 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.366 -0.762 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.010 -1.966 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.075 -2.391 2.364 1.00 0.00 H new ATOM 650 N VAL A 42 -0.508 -4.658 2.265 1.00 0.00 N ATOM 651 CA VAL A 42 0.836 -5.081 2.739 1.00 0.00 C ATOM 652 C VAL A 42 1.821 -5.096 1.567 1.00 0.00 C ATOM 653 O VAL A 42 1.436 -5.182 0.417 1.00 0.00 O ATOM 654 CB VAL A 42 0.730 -6.484 3.342 1.00 0.00 C ATOM 655 CG1 VAL A 42 0.276 -6.380 4.799 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.298 -7.301 2.552 1.00 0.00 C ATOM 0 H VAL A 42 -0.671 -4.762 1.264 1.00 0.00 H new ATOM 0 HA VAL A 42 1.196 -4.381 3.493 1.00 0.00 H new ATOM 0 HB VAL A 42 1.703 -6.973 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.200 -7.379 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.001 -5.795 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.697 -5.892 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.375 -8.301 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.269 -6.809 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.018 -7.375 1.512 1.00 0.00 H new ATOM 666 N PHE A 43 3.091 -5.009 1.854 1.00 0.00 N ATOM 667 CA PHE A 43 4.106 -5.014 0.765 1.00 0.00 C ATOM 668 C PHE A 43 4.624 -6.439 0.556 1.00 0.00 C ATOM 669 O PHE A 43 5.227 -7.027 1.432 1.00 0.00 O ATOM 670 CB PHE A 43 5.265 -4.093 1.154 1.00 0.00 C ATOM 671 CG PHE A 43 4.723 -2.893 1.878 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.209 -1.803 1.163 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.737 -2.870 3.271 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.712 -0.691 1.852 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.241 -1.764 3.954 1.00 0.00 C ATOM 676 CZ PHE A 43 3.731 -0.675 3.251 1.00 0.00 C ATOM 0 H PHE A 43 3.469 -4.935 2.798 1.00 0.00 H new ATOM 0 HA PHE A 43 3.655 -4.658 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.972 -4.627 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.810 -3.780 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.196 -1.821 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.133 -3.711 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.315 0.152 1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.251 -1.750 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.350 0.182 3.786 1.00 0.00 H new ATOM 686 N ASP A 44 4.387 -6.999 -0.599 1.00 0.00 N ATOM 687 CA ASP A 44 4.859 -8.386 -0.869 1.00 0.00 C ATOM 688 C ASP A 44 6.356 -8.489 -0.570 1.00 0.00 C ATOM 689 O ASP A 44 7.147 -7.685 -1.022 1.00 0.00 O ATOM 690 CB ASP A 44 4.608 -8.731 -2.339 1.00 0.00 C ATOM 691 CG ASP A 44 4.700 -10.246 -2.532 1.00 0.00 C ATOM 692 OD1 ASP A 44 4.611 -10.955 -1.543 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.857 -10.670 -3.664 1.00 0.00 O ATOM 0 H ASP A 44 3.886 -6.555 -1.368 1.00 0.00 H new ATOM 0 HA ASP A 44 4.315 -9.083 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.624 -8.374 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.340 -8.228 -2.971 1.00 0.00 H new ATOM 698 N ALA A 45 6.752 -9.474 0.189 1.00 0.00 N ATOM 699 CA ALA A 45 8.194 -9.629 0.516 1.00 0.00 C ATOM 700 C ALA A 45 8.904 -10.362 -0.626 1.00 0.00 C ATOM 701 O ALA A 45 10.100 -10.573 -0.590 1.00 0.00 O ATOM 702 CB ALA A 45 8.341 -10.435 1.808 1.00 0.00 C ATOM 0 H ALA A 45 6.137 -10.178 0.596 1.00 0.00 H new ATOM 0 HA ALA A 45 8.642 -8.644 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.398 -10.549 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.839 -9.912 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.891 -11.419 1.676 1.00 0.00 H new ATOM 708 N ALA A 46 8.179 -10.755 -1.638 1.00 0.00 N ATOM 709 CA ALA A 46 8.816 -11.476 -2.775 1.00 0.00 C ATOM 710 C ALA A 46 8.968 -10.526 -3.965 1.00 0.00 C ATOM 711 O ALA A 46 9.244 -10.942 -5.072 1.00 0.00 O ATOM 712 CB ALA A 46 7.942 -12.663 -3.180 1.00 0.00 C ATOM 0 H ALA A 46 7.174 -10.608 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 46 9.799 -11.835 -2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.408 -13.191 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.835 -13.342 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.959 -12.304 -3.483 1.00 0.00 H new ATOM 718 N LEU A 47 8.791 -9.252 -3.747 1.00 0.00 N ATOM 719 CA LEU A 47 8.927 -8.280 -4.869 1.00 0.00 C ATOM 720 C LEU A 47 9.649 -7.026 -4.372 1.00 0.00 C ATOM 721 O LEU A 47 9.176 -5.919 -4.537 1.00 0.00 O ATOM 722 CB LEU A 47 7.538 -7.899 -5.388 1.00 0.00 C ATOM 723 CG LEU A 47 6.913 -9.099 -6.100 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.409 -9.133 -5.820 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.149 -8.977 -7.607 1.00 0.00 C ATOM 0 H LEU A 47 8.558 -8.842 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 47 9.502 -8.735 -5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.903 -7.582 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.613 -7.055 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 47 7.371 -10.018 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.964 -9.989 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.241 -9.220 -4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.950 -8.215 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.704 -9.832 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.691 -8.058 -7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.220 -8.954 -7.807 1.00 0.00 H new ATOM 737 N ASN A 48 10.793 -7.189 -3.765 1.00 0.00 N ATOM 738 CA ASN A 48 11.544 -6.005 -3.261 1.00 0.00 C ATOM 739 C ASN A 48 12.735 -5.725 -4.182 1.00 0.00 C ATOM 740 O ASN A 48 13.114 -6.564 -4.976 1.00 0.00 O ATOM 741 CB ASN A 48 12.049 -6.274 -1.839 1.00 0.00 C ATOM 742 CG ASN A 48 12.370 -7.762 -1.666 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.424 -8.504 -2.626 1.00 0.00 O ATOM 744 ND2 ASN A 48 12.590 -8.230 -0.468 1.00 0.00 N ATOM 0 H ASN A 48 11.240 -8.090 -3.597 1.00 0.00 H new ATOM 0 HA ASN A 48 10.881 -5.140 -3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.939 -5.677 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.294 -5.970 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.807 -9.218 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.545 -7.608 0.339 1.00 0.00 H new ATOM 751 N PRO A 49 13.287 -4.545 -4.049 1.00 0.00 N ATOM 752 CA PRO A 49 14.439 -4.110 -4.858 1.00 0.00 C ATOM 753 C PRO A 49 15.741 -4.725 -4.333 1.00 0.00 C ATOM 754 O PRO A 49 16.726 -4.804 -5.039 1.00 0.00 O ATOM 755 CB PRO A 49 14.446 -2.589 -4.683 1.00 0.00 C ATOM 756 CG PRO A 49 13.681 -2.296 -3.371 1.00 0.00 C ATOM 757 CD PRO A 49 12.812 -3.534 -3.081 1.00 0.00 C ATOM 0 HA PRO A 49 14.364 -4.418 -5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.466 -2.209 -4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.966 -2.099 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.375 -2.109 -2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.063 -1.404 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.937 -3.877 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.752 -3.318 -3.218 1.00 0.00 H new ATOM 765 N ALA A 50 15.759 -5.158 -3.101 1.00 0.00 N ATOM 766 CA ALA A 50 17.007 -5.759 -2.550 1.00 0.00 C ATOM 767 C ALA A 50 16.709 -7.141 -1.976 1.00 0.00 C ATOM 768 O ALA A 50 17.400 -7.619 -1.099 1.00 0.00 O ATOM 769 CB ALA A 50 17.570 -4.855 -1.451 1.00 0.00 C ATOM 0 H ALA A 50 14.969 -5.122 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 50 17.741 -5.856 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.482 -5.296 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.794 -3.873 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.835 -4.752 -0.653 1.00 0.00 H new ATOM 775 N LYS A 51 15.692 -7.781 -2.482 1.00 0.00 N ATOM 776 CA LYS A 51 15.325 -9.147 -1.996 1.00 0.00 C ATOM 777 C LYS A 51 15.609 -9.271 -0.496 1.00 0.00 C ATOM 778 O LYS A 51 16.030 -10.307 -0.019 1.00 0.00 O ATOM 779 CB LYS A 51 16.141 -10.192 -2.759 1.00 0.00 C ATOM 780 CG LYS A 51 15.881 -10.045 -4.261 1.00 0.00 C ATOM 781 CD LYS A 51 14.891 -11.118 -4.718 1.00 0.00 C ATOM 782 CE LYS A 51 14.106 -10.605 -5.928 1.00 0.00 C ATOM 783 NZ LYS A 51 13.281 -11.712 -6.489 1.00 0.00 N ATOM 0 H LYS A 51 15.091 -7.414 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 51 14.261 -9.312 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.203 -10.064 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.869 -11.194 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.483 -9.053 -4.476 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.816 -10.140 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.424 -12.033 -4.978 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.207 -11.367 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.466 -9.773 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.792 -10.227 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.747 -11.365 -7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.902 -12.493 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.618 -12.052 -5.764 1.00 0.00 H new ATOM 797 N SER A 52 15.386 -8.224 0.251 1.00 0.00 N ATOM 798 CA SER A 52 15.648 -8.287 1.716 1.00 0.00 C ATOM 799 C SER A 52 14.334 -8.517 2.462 1.00 0.00 C ATOM 800 O SER A 52 13.346 -8.933 1.888 1.00 0.00 O ATOM 801 CB SER A 52 16.268 -6.968 2.182 1.00 0.00 C ATOM 802 OG SER A 52 17.454 -6.720 1.441 1.00 0.00 O ATOM 0 H SER A 52 15.034 -7.329 -0.090 1.00 0.00 H new ATOM 0 HA SER A 52 16.334 -9.108 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.560 -6.151 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.494 -7.015 3.247 1.00 0.00 H new ATOM 0 HG SER A 52 17.258 -6.775 0.482 1.00 0.00 H new ATOM 808 N ALA A 53 14.315 -8.250 3.738 1.00 0.00 N ATOM 809 CA ALA A 53 13.068 -8.451 4.525 1.00 0.00 C ATOM 810 C ALA A 53 13.207 -7.752 5.878 1.00 0.00 C ATOM 811 O ALA A 53 13.495 -8.371 6.882 1.00 0.00 O ATOM 812 CB ALA A 53 12.838 -9.948 4.745 1.00 0.00 C ATOM 0 H ALA A 53 15.112 -7.900 4.270 1.00 0.00 H new ATOM 0 HA ALA A 53 12.221 -8.031 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.925 -10.095 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.743 -10.447 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.683 -10.370 5.290 1.00 0.00 H new ATOM 818 N ASP A 54 13.004 -6.464 5.912 1.00 0.00 N ATOM 819 CA ASP A 54 13.123 -5.726 7.197 1.00 0.00 C ATOM 820 C ASP A 54 12.295 -4.442 7.126 1.00 0.00 C ATOM 821 O ASP A 54 11.519 -4.144 8.012 1.00 0.00 O ATOM 822 CB ASP A 54 14.591 -5.376 7.454 1.00 0.00 C ATOM 823 CG ASP A 54 14.699 -4.533 8.725 1.00 0.00 C ATOM 824 OD1 ASP A 54 13.827 -4.655 9.570 1.00 0.00 O ATOM 825 OD2 ASP A 54 15.652 -3.779 8.834 1.00 0.00 O ATOM 0 H ASP A 54 12.761 -5.892 5.104 1.00 0.00 H new ATOM 0 HA ASP A 54 12.754 -6.351 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.180 -6.287 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.999 -4.827 6.605 1.00 0.00 H new ATOM 830 N LEU A 55 12.450 -3.678 6.078 1.00 0.00 N ATOM 831 CA LEU A 55 11.666 -2.418 5.958 1.00 0.00 C ATOM 832 C LEU A 55 10.173 -2.756 5.907 1.00 0.00 C ATOM 833 O LEU A 55 9.326 -1.910 6.114 1.00 0.00 O ATOM 834 CB LEU A 55 12.083 -1.673 4.681 1.00 0.00 C ATOM 835 CG LEU A 55 11.368 -2.271 3.465 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.063 -1.511 3.219 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.268 -2.150 2.234 1.00 0.00 C ATOM 0 H LEU A 55 13.084 -3.872 5.303 1.00 0.00 H new ATOM 0 HA LEU A 55 11.860 -1.779 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.839 -0.615 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.163 -1.741 4.547 1.00 0.00 H new ATOM 0 HG LEU A 55 11.148 -3.322 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.553 -1.935 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.422 -1.596 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.284 -0.460 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.760 -2.575 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.488 -1.099 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.199 -2.689 2.409 1.00 0.00 H new ATOM 849 N ALA A 56 9.847 -3.989 5.628 1.00 0.00 N ATOM 850 CA ALA A 56 8.413 -4.386 5.561 1.00 0.00 C ATOM 851 C ALA A 56 7.947 -4.854 6.940 1.00 0.00 C ATOM 852 O ALA A 56 6.794 -4.712 7.297 1.00 0.00 O ATOM 853 CB ALA A 56 8.246 -5.527 4.556 1.00 0.00 C ATOM 0 H ALA A 56 10.513 -4.739 5.443 1.00 0.00 H new ATOM 0 HA ALA A 56 7.815 -3.531 5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.197 -5.818 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.578 -5.196 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.845 -6.381 4.872 1.00 0.00 H new ATOM 859 N LYS A 57 8.832 -5.413 7.718 1.00 0.00 N ATOM 860 CA LYS A 57 8.437 -5.891 9.073 1.00 0.00 C ATOM 861 C LYS A 57 7.557 -4.839 9.749 1.00 0.00 C ATOM 862 O LYS A 57 6.406 -5.080 10.054 1.00 0.00 O ATOM 863 CB LYS A 57 9.690 -6.125 9.916 1.00 0.00 C ATOM 864 CG LYS A 57 9.766 -7.599 10.319 1.00 0.00 C ATOM 865 CD LYS A 57 9.235 -7.766 11.745 1.00 0.00 C ATOM 866 CE LYS A 57 10.025 -8.863 12.459 1.00 0.00 C ATOM 867 NZ LYS A 57 9.419 -9.121 13.796 1.00 0.00 N ATOM 0 H LYS A 57 9.812 -5.560 7.474 1.00 0.00 H new ATOM 0 HA LYS A 57 7.881 -6.824 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.579 -5.845 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.666 -5.495 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.181 -8.207 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.796 -7.951 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.324 -6.826 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.176 -8.022 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.020 -9.776 11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.066 -8.561 12.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.956 -9.867 14.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.446 -8.250 14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.432 -9.426 13.677 1.00 0.00 H new ATOM 881 N SER A 58 8.090 -3.674 9.986 1.00 0.00 N ATOM 882 CA SER A 58 7.287 -2.605 10.643 1.00 0.00 C ATOM 883 C SER A 58 6.661 -1.709 9.573 1.00 0.00 C ATOM 884 O SER A 58 6.751 -0.499 9.630 1.00 0.00 O ATOM 885 CB SER A 58 8.195 -1.768 11.544 1.00 0.00 C ATOM 886 OG SER A 58 8.272 -2.375 12.827 1.00 0.00 O ATOM 0 H SER A 58 9.049 -3.415 9.753 1.00 0.00 H new ATOM 0 HA SER A 58 6.498 -3.058 11.244 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.190 -1.690 11.106 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.805 -0.754 11.632 1.00 0.00 H new ATOM 0 HG SER A 58 8.855 -1.842 13.407 1.00 0.00 H new ATOM 892 N LEU A 59 6.026 -2.297 8.597 1.00 0.00 N ATOM 893 CA LEU A 59 5.392 -1.485 7.519 1.00 0.00 C ATOM 894 C LEU A 59 4.003 -2.043 7.216 1.00 0.00 C ATOM 895 O LEU A 59 3.005 -1.360 7.336 1.00 0.00 O ATOM 896 CB LEU A 59 6.245 -1.566 6.249 1.00 0.00 C ATOM 897 CG LEU A 59 6.097 -0.282 5.433 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.820 0.860 6.142 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.719 -0.488 4.049 1.00 0.00 C ATOM 0 H LEU A 59 5.918 -3.307 8.499 1.00 0.00 H new ATOM 0 HA LEU A 59 5.314 -0.448 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.291 -1.719 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.939 -2.424 5.650 1.00 0.00 H new ATOM 0 HG LEU A 59 5.040 -0.037 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.714 1.775 5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.386 1.007 7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.877 0.614 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.615 0.426 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.776 -0.731 4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.209 -1.305 3.539 1.00 0.00 H new ATOM 911 N SER A 60 3.938 -3.275 6.792 1.00 0.00 N ATOM 912 CA SER A 60 2.625 -3.880 6.442 1.00 0.00 C ATOM 913 C SER A 60 1.872 -4.274 7.711 1.00 0.00 C ATOM 914 O SER A 60 2.459 -4.562 8.736 1.00 0.00 O ATOM 915 CB SER A 60 2.865 -5.127 5.591 1.00 0.00 C ATOM 916 OG SER A 60 4.233 -5.504 5.689 1.00 0.00 O ATOM 0 H SER A 60 4.743 -3.890 6.673 1.00 0.00 H new ATOM 0 HA SER A 60 2.030 -3.154 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.226 -5.942 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.604 -4.928 4.552 1.00 0.00 H new ATOM 0 HG SER A 60 4.391 -6.304 5.146 1.00 0.00 H new ATOM 922 N HIS A 61 0.569 -4.283 7.645 1.00 0.00 N ATOM 923 CA HIS A 61 -0.243 -4.649 8.836 1.00 0.00 C ATOM 924 C HIS A 61 -0.641 -6.125 8.744 1.00 0.00 C ATOM 925 O HIS A 61 -0.139 -6.862 7.920 1.00 0.00 O ATOM 926 CB HIS A 61 -1.499 -3.775 8.872 1.00 0.00 C ATOM 927 CG HIS A 61 -2.446 -4.203 7.784 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.335 -5.259 7.949 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.659 -3.723 6.515 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.033 -5.374 6.802 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.659 -4.465 5.902 1.00 0.00 N ATOM 0 H HIS A 61 0.030 -4.051 6.811 1.00 0.00 H new ATOM 0 HA HIS A 61 0.337 -4.490 9.745 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.985 -3.859 9.844 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.229 -2.727 8.741 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.439 -5.838 8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.130 -2.896 6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.802 -6.113 6.633 1.00 0.00 H new ATOM 939 N LYS A 62 -1.542 -6.562 9.582 1.00 0.00 N ATOM 940 CA LYS A 62 -1.969 -7.988 9.536 1.00 0.00 C ATOM 941 C LYS A 62 -3.471 -8.077 9.806 1.00 0.00 C ATOM 942 O LYS A 62 -4.197 -8.764 9.115 1.00 0.00 O ATOM 943 CB LYS A 62 -1.213 -8.786 10.600 1.00 0.00 C ATOM 944 CG LYS A 62 -0.664 -10.071 9.979 1.00 0.00 C ATOM 945 CD LYS A 62 -1.818 -10.897 9.408 1.00 0.00 C ATOM 946 CE LYS A 62 -1.504 -12.386 9.563 1.00 0.00 C ATOM 947 NZ LYS A 62 -1.237 -12.981 8.222 1.00 0.00 N ATOM 0 H LYS A 62 -1.999 -5.994 10.295 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.749 -8.400 8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.397 -8.188 11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.877 -9.026 11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.049 -9.830 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.126 -10.649 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.745 -10.654 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.968 -10.654 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.638 -12.520 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.341 -12.897 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.024 -13.993 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.075 -12.865 7.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.426 -12.500 7.784 1.00 0.00 H new ATOM 961 N GLN A 63 -3.945 -7.387 10.806 1.00 0.00 N ATOM 962 CA GLN A 63 -5.400 -7.433 11.117 1.00 0.00 C ATOM 963 C GLN A 63 -6.186 -6.799 9.967 1.00 0.00 C ATOM 964 O GLN A 63 -5.855 -5.733 9.490 1.00 0.00 O ATOM 965 CB GLN A 63 -5.669 -6.657 12.409 1.00 0.00 C ATOM 966 CG GLN A 63 -6.408 -7.556 13.400 1.00 0.00 C ATOM 967 CD GLN A 63 -6.254 -6.992 14.813 1.00 0.00 C ATOM 968 OE1 GLN A 63 -5.155 -6.719 15.253 1.00 0.00 O ATOM 969 NE2 GLN A 63 -7.316 -6.803 15.547 1.00 0.00 N ATOM 0 H GLN A 63 -3.388 -6.794 11.421 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.714 -8.469 11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.729 -6.315 12.843 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.263 -5.768 12.195 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.463 -7.617 13.135 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.009 -8.569 13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.239 -7.032 15.178 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.224 -6.426 16.490 1.00 0.00 H new ATOM 978 N LEU A 64 -7.226 -7.447 9.517 1.00 0.00 N ATOM 979 CA LEU A 64 -8.030 -6.878 8.398 1.00 0.00 C ATOM 980 C LEU A 64 -8.568 -5.505 8.807 1.00 0.00 C ATOM 981 O LEU A 64 -8.483 -5.112 9.954 1.00 0.00 O ATOM 982 CB LEU A 64 -9.201 -7.813 8.084 1.00 0.00 C ATOM 983 CG LEU A 64 -8.675 -9.089 7.422 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.305 -10.109 8.500 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.759 -9.679 6.516 1.00 0.00 C ATOM 0 H LEU A 64 -7.553 -8.344 9.875 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.402 -6.774 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.737 -8.061 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.911 -7.315 7.424 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.793 -8.851 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.931 -11.017 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.533 -9.691 9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.187 -10.346 9.095 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.384 -10.588 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.641 -9.916 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.024 -8.954 5.747 1.00 0.00 H new ATOM 997 N LEU A 65 -9.122 -4.771 7.880 1.00 0.00 N ATOM 998 CA LEU A 65 -9.665 -3.423 8.224 1.00 0.00 C ATOM 999 C LEU A 65 -11.180 -3.421 8.015 1.00 0.00 C ATOM 1000 O LEU A 65 -11.671 -3.775 6.961 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.029 -2.340 7.336 1.00 0.00 C ATOM 1002 CG LEU A 65 -8.022 -2.962 6.363 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.588 -1.911 5.339 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -6.798 -3.451 7.140 1.00 0.00 C ATOM 0 H LEU A 65 -9.222 -5.044 6.902 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.429 -3.205 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.806 -1.817 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.530 -1.598 7.959 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.486 -3.803 5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.872 -2.352 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.459 -1.561 4.786 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.124 -1.071 5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.081 -3.894 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.334 -2.610 7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.106 -4.198 7.871 1.00 0.00 H new ATOM 1016 N MET A 66 -11.925 -3.026 9.010 1.00 0.00 N ATOM 1017 CA MET A 66 -13.407 -3.004 8.865 1.00 0.00 C ATOM 1018 C MET A 66 -13.922 -1.579 9.075 1.00 0.00 C ATOM 1019 O MET A 66 -15.111 -1.346 9.175 1.00 0.00 O ATOM 1020 CB MET A 66 -14.034 -3.934 9.904 1.00 0.00 C ATOM 1021 CG MET A 66 -14.756 -5.077 9.188 1.00 0.00 C ATOM 1022 SD MET A 66 -15.274 -6.320 10.397 1.00 0.00 S ATOM 1023 CE MET A 66 -15.769 -7.594 9.209 1.00 0.00 C ATOM 0 H MET A 66 -11.572 -2.718 9.916 1.00 0.00 H new ATOM 0 HA MET A 66 -13.679 -3.342 7.865 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.264 -4.332 10.565 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.735 -3.380 10.529 1.00 0.00 H new ATOM 0 HG2 MET A 66 -15.624 -4.693 8.652 1.00 0.00 H new ATOM 0 HG3 MET A 66 -14.097 -5.529 8.446 1.00 0.00 H new ATOM 0 HE1 MET A 66 -16.130 -8.471 9.746 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.563 -7.207 8.570 1.00 0.00 H new ATOM 0 HE3 MET A 66 -14.912 -7.871 8.595 1.00 0.00 H new ATOM 1033 N SER A 67 -13.038 -0.622 9.139 1.00 0.00 N ATOM 1034 CA SER A 67 -13.479 0.787 9.340 1.00 0.00 C ATOM 1035 C SER A 67 -13.619 1.475 7.975 1.00 0.00 C ATOM 1036 O SER A 67 -12.792 1.289 7.105 1.00 0.00 O ATOM 1037 CB SER A 67 -12.441 1.531 10.180 1.00 0.00 C ATOM 1038 OG SER A 67 -12.912 2.844 10.453 1.00 0.00 O ATOM 0 H SER A 67 -12.030 -0.755 9.061 1.00 0.00 H new ATOM 0 HA SER A 67 -14.439 0.799 9.856 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.259 0.996 11.112 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.491 1.576 9.648 1.00 0.00 H new ATOM 0 HG SER A 67 -12.193 3.371 10.860 1.00 0.00 H new ATOM 1044 N PRO A 68 -14.667 2.249 7.828 1.00 0.00 N ATOM 1045 CA PRO A 68 -14.946 2.978 6.578 1.00 0.00 C ATOM 1046 C PRO A 68 -14.095 4.248 6.493 1.00 0.00 C ATOM 1047 O PRO A 68 -14.456 5.282 7.021 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.431 3.330 6.694 1.00 0.00 C ATOM 1049 CG PRO A 68 -16.770 3.301 8.204 1.00 0.00 C ATOM 1050 CD PRO A 68 -15.670 2.468 8.889 1.00 0.00 C ATOM 0 HA PRO A 68 -14.715 2.397 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.631 4.314 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.044 2.615 6.145 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.802 4.311 8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -17.752 2.858 8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -15.241 2.998 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.063 1.524 9.267 1.00 0.00 H new ATOM 1058 N GLY A 69 -12.974 4.184 5.828 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.114 5.396 5.707 1.00 0.00 C ATOM 1060 C GLY A 69 -10.968 5.330 6.718 1.00 0.00 C ATOM 1061 O GLY A 69 -10.702 6.278 7.430 1.00 0.00 O ATOM 0 H GLY A 69 -12.617 3.348 5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.714 5.468 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.710 6.293 5.879 1.00 0.00 H new ATOM 1065 N GLN A 70 -10.281 4.223 6.784 1.00 0.00 N ATOM 1066 CA GLN A 70 -9.148 4.107 7.744 1.00 0.00 C ATOM 1067 C GLN A 70 -8.506 2.726 7.605 1.00 0.00 C ATOM 1068 O GLN A 70 -9.003 1.748 8.125 1.00 0.00 O ATOM 1069 CB GLN A 70 -9.666 4.287 9.174 1.00 0.00 C ATOM 1070 CG GLN A 70 -8.482 4.486 10.125 1.00 0.00 C ATOM 1071 CD GLN A 70 -8.963 4.458 11.581 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.228 4.258 11.848 1.00 0.00 O flip ATOM 1073 NE2 GLN A 70 -8.175 4.622 12.492 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.455 3.395 6.215 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.408 4.878 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.335 5.146 9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.245 3.414 9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.741 3.703 9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.992 5.437 9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.187 4.778 12.290 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.501 4.603 13.458 1.00 0.00 H new ATOM 1082 N SER A 71 -7.406 2.634 6.905 1.00 0.00 N ATOM 1083 CA SER A 71 -6.750 1.308 6.743 1.00 0.00 C ATOM 1084 C SER A 71 -5.518 1.225 7.654 1.00 0.00 C ATOM 1085 O SER A 71 -5.564 0.636 8.716 1.00 0.00 O ATOM 1086 CB SER A 71 -6.348 1.100 5.278 1.00 0.00 C ATOM 1087 OG SER A 71 -5.145 1.802 4.999 1.00 0.00 O ATOM 0 H SER A 71 -6.938 3.414 6.443 1.00 0.00 H new ATOM 0 HA SER A 71 -7.450 0.522 7.027 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.213 0.037 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.144 1.450 4.621 1.00 0.00 H new ATOM 0 HG SER A 71 -5.222 2.724 5.321 1.00 0.00 H new ATOM 1093 N THR A 72 -4.418 1.804 7.255 1.00 0.00 N ATOM 1094 CA THR A 72 -3.197 1.748 8.108 1.00 0.00 C ATOM 1095 C THR A 72 -2.226 2.855 7.694 1.00 0.00 C ATOM 1096 O THR A 72 -1.600 2.786 6.657 1.00 0.00 O ATOM 1097 CB THR A 72 -2.520 0.387 7.932 1.00 0.00 C ATOM 1098 OG1 THR A 72 -1.178 0.464 8.394 1.00 0.00 O ATOM 1099 CG2 THR A 72 -2.530 -0.001 6.453 1.00 0.00 C ATOM 0 H THR A 72 -4.312 2.312 6.377 1.00 0.00 H new ATOM 0 HA THR A 72 -3.478 1.888 9.152 1.00 0.00 H new ATOM 0 HB THR A 72 -3.060 -0.365 8.507 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.743 -0.407 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.048 -0.970 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.559 -0.059 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.990 0.750 5.876 1.00 0.00 H new ATOM 1107 N SER A 73 -2.083 3.871 8.500 1.00 0.00 N ATOM 1108 CA SER A 73 -1.141 4.968 8.143 1.00 0.00 C ATOM 1109 C SER A 73 0.284 4.520 8.469 1.00 0.00 C ATOM 1110 O SER A 73 0.715 4.565 9.604 1.00 0.00 O ATOM 1111 CB SER A 73 -1.481 6.222 8.950 1.00 0.00 C ATOM 1112 OG SER A 73 -2.715 6.025 9.629 1.00 0.00 O ATOM 0 H SER A 73 -2.575 3.989 9.386 1.00 0.00 H new ATOM 0 HA SER A 73 -1.225 5.195 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.688 6.433 9.667 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.551 7.086 8.289 1.00 0.00 H new ATOM 0 HG SER A 73 -2.934 6.827 10.148 1.00 0.00 H new ATOM 1118 N THR A 74 1.015 4.077 7.482 1.00 0.00 N ATOM 1119 CA THR A 74 2.407 3.613 7.737 1.00 0.00 C ATOM 1120 C THR A 74 3.406 4.678 7.283 1.00 0.00 C ATOM 1121 O THR A 74 3.403 5.103 6.145 1.00 0.00 O ATOM 1122 CB THR A 74 2.662 2.319 6.959 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.552 1.445 7.115 1.00 0.00 O ATOM 1124 CG2 THR A 74 3.926 1.644 7.493 1.00 0.00 C ATOM 0 H THR A 74 0.708 4.017 6.511 1.00 0.00 H new ATOM 0 HA THR A 74 2.533 3.435 8.805 1.00 0.00 H new ATOM 0 HB THR A 74 2.794 2.550 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.871 0.522 7.195 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.108 0.723 6.940 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.776 2.315 7.370 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.796 1.412 8.550 1.00 0.00 H new ATOM 1132 N THR A 75 4.273 5.099 8.163 1.00 0.00 N ATOM 1133 CA THR A 75 5.285 6.121 7.781 1.00 0.00 C ATOM 1134 C THR A 75 6.530 5.407 7.257 1.00 0.00 C ATOM 1135 O THR A 75 7.397 5.020 8.015 1.00 0.00 O ATOM 1136 CB THR A 75 5.657 6.962 9.006 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.855 7.678 8.739 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.864 6.046 10.214 1.00 0.00 C ATOM 0 H THR A 75 4.323 4.779 9.130 1.00 0.00 H new ATOM 0 HA THR A 75 4.877 6.775 7.010 1.00 0.00 H new ATOM 0 HB THR A 75 4.853 7.666 9.223 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.094 8.218 9.521 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.129 6.646 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.944 5.498 10.417 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.667 5.340 10.002 1.00 0.00 H new ATOM 1146 N PHE A 76 6.619 5.221 5.967 1.00 0.00 N ATOM 1147 CA PHE A 76 7.802 4.523 5.386 1.00 0.00 C ATOM 1148 C PHE A 76 9.074 4.974 6.112 1.00 0.00 C ATOM 1149 O PHE A 76 9.099 6.028 6.718 1.00 0.00 O ATOM 1150 CB PHE A 76 7.893 4.843 3.894 1.00 0.00 C ATOM 1151 CG PHE A 76 6.924 3.954 3.145 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.551 4.235 3.167 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.398 2.842 2.437 1.00 0.00 C ATOM 1154 CE1 PHE A 76 4.656 3.404 2.482 1.00 0.00 C ATOM 1155 CE2 PHE A 76 6.502 2.014 1.751 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.131 2.296 1.774 1.00 0.00 C ATOM 0 H PHE A 76 5.920 5.524 5.288 1.00 0.00 H new ATOM 0 HA PHE A 76 7.695 3.445 5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.656 5.892 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.909 4.681 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.184 5.092 3.712 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.456 2.623 2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.598 3.619 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.868 1.158 1.204 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.440 1.657 1.244 1.00 0.00 H new ATOM 1166 N PRO A 77 10.085 4.146 6.049 1.00 0.00 N ATOM 1167 CA PRO A 77 11.373 4.409 6.717 1.00 0.00 C ATOM 1168 C PRO A 77 12.186 5.461 5.959 1.00 0.00 C ATOM 1169 O PRO A 77 11.951 5.729 4.798 1.00 0.00 O ATOM 1170 CB PRO A 77 12.076 3.049 6.690 1.00 0.00 C ATOM 1171 CG PRO A 77 11.424 2.242 5.544 1.00 0.00 C ATOM 1172 CD PRO A 77 10.041 2.874 5.297 1.00 0.00 C ATOM 0 HA PRO A 77 11.251 4.805 7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.146 3.169 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.960 2.533 7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.036 2.283 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.327 1.191 5.816 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.865 3.045 4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.238 2.228 5.653 1.00 0.00 H new ATOM 1180 N ALA A 78 13.150 6.050 6.615 1.00 0.00 N ATOM 1181 CA ALA A 78 13.993 7.085 5.951 1.00 0.00 C ATOM 1182 C ALA A 78 14.972 6.418 4.980 1.00 0.00 C ATOM 1183 O ALA A 78 15.817 7.069 4.397 1.00 0.00 O ATOM 1184 CB ALA A 78 14.778 7.853 7.015 1.00 0.00 C ATOM 0 H ALA A 78 13.391 5.857 7.587 1.00 0.00 H new ATOM 0 HA ALA A 78 13.352 7.770 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.396 8.611 6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.083 8.334 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.415 7.162 7.567 1.00 0.00 H new ATOM 1190 N ASP A 79 14.870 5.129 4.796 1.00 0.00 N ATOM 1191 CA ASP A 79 15.797 4.439 3.862 1.00 0.00 C ATOM 1192 C ASP A 79 15.101 4.243 2.517 1.00 0.00 C ATOM 1193 O ASP A 79 15.480 4.836 1.528 1.00 0.00 O ATOM 1194 CB ASP A 79 16.184 3.076 4.440 1.00 0.00 C ATOM 1195 CG ASP A 79 17.662 2.801 4.157 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.493 3.409 4.811 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.937 1.985 3.293 1.00 0.00 O ATOM 0 H ASP A 79 14.185 4.527 5.253 1.00 0.00 H new ATOM 0 HA ASP A 79 16.695 5.042 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.000 3.059 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.567 2.294 3.998 1.00 0.00 H new ATOM 1202 N ALA A 80 14.083 3.418 2.473 1.00 0.00 N ATOM 1203 CA ALA A 80 13.365 3.186 1.185 1.00 0.00 C ATOM 1204 C ALA A 80 14.398 3.097 0.056 1.00 0.00 C ATOM 1205 O ALA A 80 14.589 4.040 -0.685 1.00 0.00 O ATOM 1206 CB ALA A 80 12.400 4.345 0.926 1.00 0.00 C ATOM 0 H ALA A 80 13.721 2.898 3.272 1.00 0.00 H new ATOM 0 HA ALA A 80 12.796 2.258 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.874 4.178 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.677 4.406 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.960 5.278 0.868 1.00 0.00 H new ATOM 1212 N PRO A 81 15.058 1.967 -0.013 1.00 0.00 N ATOM 1213 CA PRO A 81 16.115 1.717 -1.011 1.00 0.00 C ATOM 1214 C PRO A 81 15.529 1.421 -2.394 1.00 0.00 C ATOM 1215 O PRO A 81 14.803 0.465 -2.582 1.00 0.00 O ATOM 1216 CB PRO A 81 16.847 0.491 -0.455 1.00 0.00 C ATOM 1217 CG PRO A 81 15.853 -0.221 0.492 1.00 0.00 C ATOM 1218 CD PRO A 81 14.803 0.830 0.897 1.00 0.00 C ATOM 0 HA PRO A 81 16.766 2.580 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.159 -0.173 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.749 0.787 0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.381 -1.068 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.367 -0.614 1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.790 0.446 0.780 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.915 1.123 1.941 1.00 0.00 H new ATOM 1226 N ALA A 82 15.862 2.229 -3.365 1.00 0.00 N ATOM 1227 CA ALA A 82 15.354 2.003 -4.749 1.00 0.00 C ATOM 1228 C ALA A 82 13.836 1.824 -4.739 1.00 0.00 C ATOM 1229 O ALA A 82 13.323 0.798 -4.340 1.00 0.00 O ATOM 1230 CB ALA A 82 16.004 0.745 -5.323 1.00 0.00 C ATOM 0 H ALA A 82 16.469 3.042 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 82 15.603 2.869 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.636 0.575 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.086 0.873 -5.347 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.754 -0.112 -4.697 1.00 0.00 H new ATOM 1236 N GLY A 83 13.113 2.812 -5.184 1.00 0.00 N ATOM 1237 CA GLY A 83 11.637 2.701 -5.210 1.00 0.00 C ATOM 1238 C GLY A 83 11.222 1.383 -5.855 1.00 0.00 C ATOM 1239 O GLY A 83 11.259 1.231 -7.060 1.00 0.00 O ATOM 0 H GLY A 83 13.487 3.695 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.242 2.759 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.211 3.537 -5.766 1.00 0.00 H new ATOM 1243 N GLU A 84 10.815 0.431 -5.066 1.00 0.00 N ATOM 1244 CA GLU A 84 10.387 -0.867 -5.645 1.00 0.00 C ATOM 1245 C GLU A 84 9.518 -1.621 -4.637 1.00 0.00 C ATOM 1246 O GLU A 84 9.770 -2.767 -4.318 1.00 0.00 O ATOM 1247 CB GLU A 84 11.619 -1.704 -5.993 1.00 0.00 C ATOM 1248 CG GLU A 84 11.421 -2.356 -7.363 1.00 0.00 C ATOM 1249 CD GLU A 84 11.878 -1.391 -8.458 1.00 0.00 C ATOM 1250 OE1 GLU A 84 13.059 -1.090 -8.500 1.00 0.00 O ATOM 1251 OE2 GLU A 84 11.038 -0.969 -9.236 1.00 0.00 O ATOM 0 H GLU A 84 10.761 0.496 -4.050 1.00 0.00 H new ATOM 0 HA GLU A 84 9.808 -0.684 -6.550 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.509 -1.074 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.778 -2.469 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.989 -3.284 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.372 -2.615 -7.506 1.00 0.00 H new ATOM 1258 N TYR A 85 8.490 -0.990 -4.142 1.00 0.00 N ATOM 1259 CA TYR A 85 7.597 -1.670 -3.165 1.00 0.00 C ATOM 1260 C TYR A 85 6.243 -1.908 -3.825 1.00 0.00 C ATOM 1261 O TYR A 85 5.649 -1.007 -4.383 1.00 0.00 O ATOM 1262 CB TYR A 85 7.415 -0.787 -1.929 1.00 0.00 C ATOM 1263 CG TYR A 85 8.716 -0.093 -1.616 1.00 0.00 C ATOM 1264 CD1 TYR A 85 9.931 -0.735 -1.879 1.00 0.00 C ATOM 1265 CD2 TYR A 85 8.709 1.194 -1.064 1.00 0.00 C ATOM 1266 CE1 TYR A 85 11.140 -0.092 -1.590 1.00 0.00 C ATOM 1267 CE2 TYR A 85 9.917 1.837 -0.775 1.00 0.00 C ATOM 1268 CZ TYR A 85 11.133 1.194 -1.038 1.00 0.00 C ATOM 1269 OH TYR A 85 12.324 1.828 -0.754 1.00 0.00 O ATOM 0 H TYR A 85 8.230 -0.031 -4.373 1.00 0.00 H new ATOM 0 HA TYR A 85 8.037 -2.620 -2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.631 -0.051 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.099 -1.392 -1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.936 -1.727 -2.305 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.771 1.690 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 85 12.078 -0.588 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.912 2.829 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 85 12.767 2.083 -1.590 1.00 0.00 H new ATOM 1279 N THR A 86 5.753 -3.112 -3.783 1.00 0.00 N ATOM 1280 CA THR A 86 4.443 -3.388 -4.427 1.00 0.00 C ATOM 1281 C THR A 86 3.482 -4.008 -3.416 1.00 0.00 C ATOM 1282 O THR A 86 3.682 -5.111 -2.945 1.00 0.00 O ATOM 1283 CB THR A 86 4.645 -4.355 -5.596 1.00 0.00 C ATOM 1284 OG1 THR A 86 5.453 -3.734 -6.587 1.00 0.00 O ATOM 1285 CG2 THR A 86 3.288 -4.726 -6.199 1.00 0.00 C ATOM 0 H THR A 86 6.199 -3.912 -3.334 1.00 0.00 H new ATOM 0 HA THR A 86 4.021 -2.452 -4.792 1.00 0.00 H new ATOM 0 HB THR A 86 5.137 -5.259 -5.238 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.585 -4.352 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.436 -5.415 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.670 -5.203 -5.438 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.791 -3.825 -6.558 1.00 0.00 H new ATOM 1293 N PHE A 87 2.427 -3.315 -3.094 1.00 0.00 N ATOM 1294 CA PHE A 87 1.439 -3.870 -2.135 1.00 0.00 C ATOM 1295 C PHE A 87 0.259 -4.434 -2.924 1.00 0.00 C ATOM 1296 O PHE A 87 0.092 -4.151 -4.094 1.00 0.00 O ATOM 1297 CB PHE A 87 0.950 -2.785 -1.172 1.00 0.00 C ATOM 1298 CG PHE A 87 1.002 -1.450 -1.858 1.00 0.00 C ATOM 1299 CD1 PHE A 87 2.197 -0.727 -1.872 1.00 0.00 C ATOM 1300 CD2 PHE A 87 -0.134 -0.945 -2.492 1.00 0.00 C ATOM 1301 CE1 PHE A 87 2.257 0.508 -2.519 1.00 0.00 C ATOM 1302 CE2 PHE A 87 -0.078 0.289 -3.143 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.119 1.018 -3.157 1.00 0.00 C ATOM 0 H PHE A 87 2.208 -2.387 -3.455 1.00 0.00 H new ATOM 0 HA PHE A 87 1.910 -4.657 -1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.069 -3.001 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.571 -2.771 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.074 -1.124 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.056 -1.508 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.179 1.070 -2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.956 0.681 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.164 1.973 -3.660 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.560 -5.232 -2.304 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.717 -5.809 -3.033 1.00 0.00 C ATOM 1315 C TYR A 88 -2.819 -6.172 -2.042 1.00 0.00 C ATOM 1316 O TYR A 88 -2.836 -5.712 -0.918 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.272 -7.069 -3.776 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.801 -8.093 -2.772 1.00 0.00 C ATOM 1319 CD1 TYR A 88 -1.712 -8.998 -2.215 1.00 0.00 C ATOM 1320 CD2 TYR A 88 0.546 -8.132 -2.394 1.00 0.00 C ATOM 1321 CE1 TYR A 88 -1.274 -9.944 -1.280 1.00 0.00 C ATOM 1322 CE2 TYR A 88 0.983 -9.077 -1.460 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.074 -9.984 -0.903 1.00 0.00 C ATOM 1324 OH TYR A 88 0.506 -10.917 0.018 1.00 0.00 O ATOM 0 H TYR A 88 -0.478 -5.509 -1.326 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.096 -5.076 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.098 -7.470 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.470 -6.830 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.752 -8.967 -2.506 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.248 -7.433 -2.823 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.976 -10.643 -0.850 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.022 -9.107 -1.168 1.00 0.00 H new ATOM 0 HH TYR A 88 1.469 -10.809 0.167 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.738 -6.996 -2.455 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.844 -7.396 -1.545 1.00 0.00 C ATOM 1336 C CYS A 89 -5.031 -8.912 -1.604 1.00 0.00 C ATOM 1337 O CYS A 89 -5.231 -9.484 -2.657 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.131 -6.705 -1.985 1.00 0.00 C ATOM 1339 SG CYS A 89 -6.920 -5.938 -0.552 1.00 0.00 S ATOM 0 H CYS A 89 -3.771 -7.411 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.602 -7.102 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.912 -5.951 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.807 -7.428 -2.443 1.00 0.00 H new ATOM 0 HG CYS A 89 -8.196 -6.186 -0.575 1.00 0.00 H new ATOM 1344 N GLU A 90 -4.966 -9.567 -0.479 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.137 -11.047 -0.464 1.00 0.00 C ATOM 1346 C GLU A 90 -6.532 -11.440 -0.984 1.00 0.00 C ATOM 1347 O GLU A 90 -6.648 -12.369 -1.760 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.942 -11.569 0.963 1.00 0.00 C ATOM 1349 CG GLU A 90 -4.807 -13.092 0.936 1.00 0.00 C ATOM 1350 CD GLU A 90 -3.800 -13.534 1.999 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -3.965 -13.142 3.143 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -2.880 -14.256 1.651 1.00 0.00 O ATOM 0 H GLU A 90 -4.801 -9.141 0.433 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.390 -11.494 -1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.052 -11.122 1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.788 -11.279 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.775 -13.557 1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.479 -13.421 -0.050 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.555 -10.737 -0.549 1.00 0.00 N ATOM 1360 CA PRO A 91 -8.939 -11.023 -0.972 1.00 0.00 C ATOM 1361 C PRO A 91 -9.213 -10.439 -2.363 1.00 0.00 C ATOM 1362 O PRO A 91 -9.420 -11.161 -3.318 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.791 -10.325 0.090 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.898 -9.226 0.715 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.439 -9.605 0.396 1.00 0.00 C ATOM 0 HA PRO A 91 -9.149 -12.090 -1.048 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.687 -9.891 -0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.123 -11.034 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.143 -8.247 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.055 -9.166 1.792 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.899 -8.769 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.896 -9.892 1.297 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.219 -9.139 -2.485 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.482 -8.518 -3.816 1.00 0.00 C ATOM 1375 C HIS A 92 -8.233 -8.653 -4.692 1.00 0.00 C ATOM 1376 O HIS A 92 -7.706 -7.680 -5.193 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.825 -7.035 -3.636 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.764 -6.877 -2.471 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.308 -6.876 -1.160 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.131 -6.748 -2.400 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.392 -6.769 -0.366 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.514 -6.685 -1.073 1.00 0.00 N ATOM 0 H HIS A 92 -9.054 -8.481 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.321 -9.024 -4.294 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.916 -6.458 -3.465 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.285 -6.644 -4.544 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.800 -6.703 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.353 -6.753 0.713 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.463 -6.593 -0.711 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.755 -9.855 -4.876 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.539 -10.057 -5.715 1.00 0.00 C ATOM 1392 C ARG A 93 -6.933 -10.084 -7.193 1.00 0.00 C ATOM 1393 O ARG A 93 -7.556 -11.016 -7.661 1.00 0.00 O ATOM 1394 CB ARG A 93 -5.881 -11.388 -5.344 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.661 -11.624 -6.238 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.386 -11.501 -5.403 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.198 -11.694 -6.281 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.971 -12.859 -6.824 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -2.012 -13.939 -6.093 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -1.705 -12.943 -8.100 1.00 0.00 N ATOM 0 H ARG A 93 -8.155 -10.706 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.840 -9.239 -5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.580 -11.377 -4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.594 -12.204 -5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.716 -12.613 -6.693 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.647 -10.899 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.344 -10.522 -4.926 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.387 -12.244 -4.606 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.562 -10.916 -6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.222 -13.873 -5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.835 -14.849 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.675 -12.099 -8.671 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.527 -13.853 -8.525 1.00 0.00 H new ATOM 1414 N GLY A 94 -6.573 -9.072 -7.933 1.00 0.00 N ATOM 1415 CA GLY A 94 -6.926 -9.048 -9.380 1.00 0.00 C ATOM 1416 C GLY A 94 -7.974 -7.963 -9.637 1.00 0.00 C ATOM 1417 O GLY A 94 -8.396 -7.750 -10.756 1.00 0.00 O ATOM 0 H GLY A 94 -6.051 -8.262 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.035 -8.856 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.312 -10.020 -9.686 1.00 0.00 H new ATOM 1421 N ALA A 95 -8.399 -7.276 -8.613 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.419 -6.208 -8.809 1.00 0.00 C ATOM 1423 C ALA A 95 -8.733 -4.843 -8.811 1.00 0.00 C ATOM 1424 O ALA A 95 -9.277 -3.864 -8.344 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.447 -6.264 -7.678 1.00 0.00 C ATOM 0 H ALA A 95 -8.085 -7.407 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 95 -9.925 -6.361 -9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.192 -5.482 -7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.938 -7.237 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.945 -6.113 -6.722 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.545 -4.771 -9.339 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.822 -3.468 -9.377 1.00 0.00 C ATOM 1433 C GLY A 96 -6.396 -3.068 -7.963 1.00 0.00 C ATOM 1434 O GLY A 96 -6.115 -1.917 -7.693 1.00 0.00 O ATOM 0 H GLY A 96 -7.041 -5.559 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.946 -3.547 -10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -7.464 -2.698 -9.804 1.00 0.00 H new ATOM 1438 N MET A 97 -6.341 -4.006 -7.056 1.00 0.00 N ATOM 1439 CA MET A 97 -5.927 -3.669 -5.663 1.00 0.00 C ATOM 1440 C MET A 97 -4.415 -3.859 -5.524 1.00 0.00 C ATOM 1441 O MET A 97 -3.926 -4.301 -4.503 1.00 0.00 O ATOM 1442 CB MET A 97 -6.649 -4.589 -4.673 1.00 0.00 C ATOM 1443 CG MET A 97 -8.160 -4.507 -4.901 1.00 0.00 C ATOM 1444 SD MET A 97 -8.980 -3.976 -3.374 1.00 0.00 S ATOM 1445 CE MET A 97 -8.530 -2.226 -3.461 1.00 0.00 C ATOM 0 H MET A 97 -6.564 -4.988 -7.218 1.00 0.00 H new ATOM 0 HA MET A 97 -6.188 -2.633 -5.448 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.307 -5.616 -4.801 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.409 -4.298 -3.650 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.379 -3.805 -5.706 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.544 -5.478 -5.213 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.371 -1.617 -3.128 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.670 -2.039 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.278 -1.966 -4.489 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.668 -3.528 -6.544 1.00 0.00 N ATOM 1456 CA VAL A 98 -2.188 -3.693 -6.466 1.00 0.00 C ATOM 1457 C VAL A 98 -1.503 -2.364 -6.794 1.00 0.00 C ATOM 1458 O VAL A 98 -1.516 -1.909 -7.920 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.741 -4.757 -7.470 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -0.217 -4.876 -7.441 1.00 0.00 C ATOM 1461 CG2 VAL A 98 -2.365 -6.103 -7.095 1.00 0.00 C ATOM 0 H VAL A 98 -4.018 -3.152 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.912 -4.002 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.064 -4.472 -8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.102 -5.634 -8.156 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.228 -3.917 -7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.107 -5.162 -6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.048 -6.863 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.041 -6.388 -6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.452 -6.018 -7.114 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.899 -1.739 -5.819 1.00 0.00 N ATOM 1472 CA GLY A 99 -0.212 -0.446 -6.074 1.00 0.00 C ATOM 1473 C GLY A 99 1.280 -0.593 -5.768 1.00 0.00 C ATOM 1474 O GLY A 99 1.723 -1.607 -5.267 1.00 0.00 O ATOM 0 H GLY A 99 -0.853 -2.071 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.353 -0.145 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.646 0.338 -5.453 1.00 0.00 H new ATOM 1478 N LYS A 100 2.062 0.410 -6.065 1.00 0.00 N ATOM 1479 CA LYS A 100 3.524 0.318 -5.790 1.00 0.00 C ATOM 1480 C LYS A 100 4.077 1.705 -5.452 1.00 0.00 C ATOM 1481 O LYS A 100 3.861 2.661 -6.169 1.00 0.00 O ATOM 1482 CB LYS A 100 4.243 -0.219 -7.029 1.00 0.00 C ATOM 1483 CG LYS A 100 3.652 -1.575 -7.419 1.00 0.00 C ATOM 1484 CD LYS A 100 4.312 -2.071 -8.707 1.00 0.00 C ATOM 1485 CE LYS A 100 3.500 -1.598 -9.914 1.00 0.00 C ATOM 1486 NZ LYS A 100 2.909 -2.776 -10.608 1.00 0.00 N ATOM 0 H LYS A 100 1.752 1.286 -6.485 1.00 0.00 H new ATOM 0 HA LYS A 100 3.687 -0.354 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.140 0.485 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 100 5.309 -0.320 -6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.809 -2.296 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.575 -1.486 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.333 -1.695 -8.773 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.373 -3.159 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.711 -0.919 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.139 -1.041 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.357 -2.455 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.670 -3.408 -10.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.287 -3.289 -9.952 1.00 0.00 H new ATOM 1500 N ILE A 101 4.800 1.818 -4.371 1.00 0.00 N ATOM 1501 CA ILE A 101 5.377 3.139 -3.996 1.00 0.00 C ATOM 1502 C ILE A 101 6.687 3.340 -4.769 1.00 0.00 C ATOM 1503 O ILE A 101 7.557 2.492 -4.761 1.00 0.00 O ATOM 1504 CB ILE A 101 5.624 3.170 -2.469 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.631 4.141 -1.820 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.056 3.625 -2.141 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.054 4.414 -0.373 1.00 0.00 C ATOM 0 H ILE A 101 5.016 1.053 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 101 4.690 3.946 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 101 5.487 2.161 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.598 5.074 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.626 3.719 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.196 3.636 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 101 7.769 2.935 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.219 4.627 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.348 5.104 0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.064 3.478 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.051 4.854 -0.362 1.00 0.00 H new ATOM 1519 N THR A 102 6.838 4.455 -5.426 1.00 0.00 N ATOM 1520 CA THR A 102 8.097 4.700 -6.179 1.00 0.00 C ATOM 1521 C THR A 102 9.006 5.600 -5.347 1.00 0.00 C ATOM 1522 O THR A 102 8.889 6.809 -5.363 1.00 0.00 O ATOM 1523 CB THR A 102 7.783 5.375 -7.515 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.605 4.805 -8.068 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.954 5.164 -8.477 1.00 0.00 C ATOM 0 H THR A 102 6.147 5.204 -5.474 1.00 0.00 H new ATOM 0 HA THR A 102 8.597 3.751 -6.374 1.00 0.00 H new ATOM 0 HB THR A 102 7.629 6.443 -7.358 1.00 0.00 H new ATOM 0 HG1 THR A 102 5.821 5.143 -7.587 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.733 5.644 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.858 5.601 -8.052 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.107 4.096 -8.635 1.00 0.00 H new ATOM 1533 N VAL A 103 9.904 5.014 -4.609 1.00 0.00 N ATOM 1534 CA VAL A 103 10.819 5.821 -3.759 1.00 0.00 C ATOM 1535 C VAL A 103 12.162 5.997 -4.471 1.00 0.00 C ATOM 1536 O VAL A 103 13.004 5.122 -4.454 1.00 0.00 O ATOM 1537 CB VAL A 103 11.041 5.092 -2.435 1.00 0.00 C ATOM 1538 CG1 VAL A 103 11.975 5.914 -1.550 1.00 0.00 C ATOM 1539 CG2 VAL A 103 9.697 4.905 -1.727 1.00 0.00 C ATOM 0 H VAL A 103 10.044 4.005 -4.558 1.00 0.00 H new ATOM 0 HA VAL A 103 10.378 6.801 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 103 11.490 4.117 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.133 5.393 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.932 6.047 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.528 6.889 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.853 4.385 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.248 5.880 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.031 4.317 -2.359 1.00 0.00 H new ATOM 1549 N ALA A 104 12.366 7.124 -5.096 1.00 0.00 N ATOM 1550 CA ALA A 104 13.652 7.360 -5.811 1.00 0.00 C ATOM 1551 C ALA A 104 14.818 7.207 -4.833 1.00 0.00 C ATOM 1552 O ALA A 104 14.846 7.817 -3.783 1.00 0.00 O ATOM 1553 CB ALA A 104 13.658 8.775 -6.393 1.00 0.00 C ATOM 0 H ALA A 104 11.697 7.892 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 104 13.757 6.633 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.598 8.949 -6.916 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.828 8.885 -7.091 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.552 9.501 -5.587 1.00 0.00 H new