USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 569 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 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -165:sc= 0.0944 (180deg=-0.299) USER MOD Set 3.1: A 14 TYR OH : rot 120:sc= 0.322 USER MOD Set 3.2: A 50 GLN : amide:sc= -0.0124 X(o=0.31,f=-0.042) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 5 SER OG : rot 19:sc= 0.317 USER MOD Single : A 6 SER OG : rot 40:sc= 0.656 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.129 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.9!) USER MOD Single : A 23 GLN : amide:sc=-0.00209 K(o=-0.0021,f=-0.62) USER MOD Single : A 27 GLN : amide:sc= -0.0023 X(o=-0.0023,f=-0.0023) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -115:sc= 0.432 USER MOD Single : A 30 GLN : amide:sc= -7.27! C(o=-7.3!,f=-11!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -167:sc= 0.637 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.8!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.483 1.024 -10.068 1.00 0.00 N ATOM 2 CA GLY A 1 22.547 1.985 -11.154 1.00 0.00 C ATOM 3 C GLY A 1 21.181 2.518 -11.538 1.00 0.00 C ATOM 4 O GLY A 1 20.450 1.883 -12.298 1.00 0.00 O ATOM 0 H1 GLY A 1 23.442 0.690 -9.843 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.068 1.476 -9.228 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.893 0.216 -10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.189 2.816 -10.862 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.008 1.516 -12.023 1.00 0.00 H new ATOM 8 N SER A 2 20.833 3.687 -11.009 1.00 0.00 N ATOM 9 CA SER A 2 19.543 4.303 -11.297 1.00 0.00 C ATOM 10 C SER A 2 19.488 5.728 -10.755 1.00 0.00 C ATOM 11 O SER A 2 19.869 5.985 -9.613 1.00 0.00 O ATOM 12 CB SER A 2 18.411 3.471 -10.690 1.00 0.00 C ATOM 13 OG SER A 2 18.628 3.245 -9.308 1.00 0.00 O ATOM 0 H SER A 2 21.426 4.226 -10.379 1.00 0.00 H new ATOM 0 HA SER A 2 19.419 4.339 -12.379 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.461 3.985 -10.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.338 2.516 -11.211 1.00 0.00 H new ATOM 0 HG SER A 2 17.890 2.713 -8.944 1.00 0.00 H new ATOM 19 N SER A 3 19.012 6.651 -11.585 1.00 0.00 N ATOM 20 CA SER A 3 18.911 8.052 -11.192 1.00 0.00 C ATOM 21 C SER A 3 17.725 8.724 -11.878 1.00 0.00 C ATOM 22 O SER A 3 17.379 8.391 -13.011 1.00 0.00 O ATOM 23 CB SER A 3 20.203 8.795 -11.536 1.00 0.00 C ATOM 24 OG SER A 3 21.328 8.157 -10.958 1.00 0.00 O ATOM 0 H SER A 3 18.691 6.454 -12.533 1.00 0.00 H new ATOM 0 HA SER A 3 18.755 8.091 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.323 8.840 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.141 9.823 -11.179 1.00 0.00 H new ATOM 0 HG SER A 3 22.141 8.651 -11.194 1.00 0.00 H new ATOM 30 N GLY A 4 17.107 9.674 -11.183 1.00 0.00 N ATOM 31 CA GLY A 4 15.968 10.379 -11.740 1.00 0.00 C ATOM 32 C GLY A 4 15.080 10.983 -10.670 1.00 0.00 C ATOM 33 O GLY A 4 15.275 10.737 -9.480 1.00 0.00 O ATOM 0 H GLY A 4 17.375 9.968 -10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.322 11.169 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.381 9.691 -12.349 1.00 0.00 H new ATOM 37 N SER A 5 14.103 11.778 -11.094 1.00 0.00 N ATOM 38 CA SER A 5 13.185 12.424 -10.163 1.00 0.00 C ATOM 39 C SER A 5 11.747 12.328 -10.663 1.00 0.00 C ATOM 40 O SER A 5 11.445 12.706 -11.795 1.00 0.00 O ATOM 41 CB SER A 5 13.572 13.891 -9.968 1.00 0.00 C ATOM 42 OG SER A 5 13.363 14.636 -11.155 1.00 0.00 O ATOM 0 H SER A 5 13.927 11.990 -12.076 1.00 0.00 H new ATOM 0 HA SER A 5 13.254 11.907 -9.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.984 14.321 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.619 13.958 -9.673 1.00 0.00 H new ATOM 0 HG SER A 5 12.755 14.145 -11.746 1.00 0.00 H new ATOM 48 N SER A 6 10.863 11.819 -9.810 1.00 0.00 N ATOM 49 CA SER A 6 9.457 11.669 -10.166 1.00 0.00 C ATOM 50 C SER A 6 8.560 11.961 -8.967 1.00 0.00 C ATOM 51 O SER A 6 8.596 11.252 -7.963 1.00 0.00 O ATOM 52 CB SER A 6 9.188 10.255 -10.686 1.00 0.00 C ATOM 53 OG SER A 6 9.450 9.286 -9.686 1.00 0.00 O ATOM 0 H SER A 6 11.096 11.504 -8.868 1.00 0.00 H new ATOM 0 HA SER A 6 9.228 12.387 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.151 10.175 -11.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.812 10.060 -11.558 1.00 0.00 H new ATOM 0 HG SER A 6 9.138 9.618 -8.819 1.00 0.00 H new ATOM 59 N GLY A 7 7.754 13.012 -9.081 1.00 0.00 N ATOM 60 CA GLY A 7 6.858 13.381 -8.000 1.00 0.00 C ATOM 61 C GLY A 7 6.763 14.882 -7.812 1.00 0.00 C ATOM 62 O GLY A 7 6.977 15.392 -6.712 1.00 0.00 O ATOM 0 H GLY A 7 7.705 13.615 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.865 12.980 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.204 12.923 -7.073 1.00 0.00 H new ATOM 66 N ARG A 8 6.444 15.593 -8.889 1.00 0.00 N ATOM 67 CA ARG A 8 6.325 17.045 -8.838 1.00 0.00 C ATOM 68 C ARG A 8 4.915 17.461 -8.431 1.00 0.00 C ATOM 69 O ARG A 8 4.730 18.215 -7.475 1.00 0.00 O ATOM 70 CB ARG A 8 6.676 17.655 -10.197 1.00 0.00 C ATOM 71 CG ARG A 8 8.166 17.873 -10.400 1.00 0.00 C ATOM 72 CD ARG A 8 8.619 19.203 -9.817 1.00 0.00 C ATOM 73 NE ARG A 8 10.044 19.439 -10.035 1.00 0.00 N ATOM 74 CZ ARG A 8 10.634 20.611 -9.830 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.927 21.648 -9.404 1.00 0.00 N ATOM 76 NH2 ARG A 8 11.936 20.747 -10.050 1.00 0.00 N ATOM 0 H ARG A 8 6.263 15.187 -9.807 1.00 0.00 H new ATOM 0 HA ARG A 8 7.025 17.416 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.302 17.003 -10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.160 18.610 -10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.721 17.061 -9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.397 17.843 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.044 20.011 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.408 19.221 -8.748 1.00 0.00 H new ATOM 0 HE ARG A 8 10.617 18.661 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.927 21.547 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.383 22.547 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.484 19.951 -10.377 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.389 21.647 -9.892 1.00 0.00 H new ATOM 90 N LYS A 9 3.923 16.965 -9.162 1.00 0.00 N ATOM 91 CA LYS A 9 2.528 17.283 -8.878 1.00 0.00 C ATOM 92 C LYS A 9 2.170 16.921 -7.440 1.00 0.00 C ATOM 93 O LYS A 9 2.748 16.014 -6.840 1.00 0.00 O ATOM 94 CB LYS A 9 1.606 16.540 -9.847 1.00 0.00 C ATOM 95 CG LYS A 9 1.800 15.033 -9.836 1.00 0.00 C ATOM 96 CD LYS A 9 0.952 14.354 -10.898 1.00 0.00 C ATOM 97 CE LYS A 9 1.411 12.926 -11.150 1.00 0.00 C ATOM 98 NZ LYS A 9 2.472 12.860 -12.193 1.00 0.00 N ATOM 0 H LYS A 9 4.059 16.340 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 9 2.392 18.357 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.570 16.766 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.778 16.913 -10.857 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.851 14.799 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.539 14.639 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.092 14.352 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.005 14.923 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.787 12.496 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.559 12.320 -11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.758 11.870 -12.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.105 13.247 -13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.295 13.417 -11.887 1.00 0.00 H new ATOM 112 N PRO A 10 1.194 17.645 -6.872 1.00 0.00 N ATOM 113 CA PRO A 10 0.736 17.417 -5.499 1.00 0.00 C ATOM 114 C PRO A 10 -0.020 16.101 -5.351 1.00 0.00 C ATOM 115 O PRO A 10 -0.401 15.713 -4.246 1.00 0.00 O ATOM 116 CB PRO A 10 -0.197 18.602 -5.234 1.00 0.00 C ATOM 117 CG PRO A 10 -0.676 19.015 -6.583 1.00 0.00 C ATOM 118 CD PRO A 10 0.462 18.742 -7.528 1.00 0.00 C ATOM 0 HA PRO A 10 1.568 17.347 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -1.028 18.315 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.328 19.416 -4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.565 18.454 -6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.948 20.070 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.104 18.452 -8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.092 19.621 -7.663 1.00 0.00 H new ATOM 126 N ARG A 11 -0.234 15.417 -6.471 1.00 0.00 N ATOM 127 CA ARG A 11 -0.945 14.145 -6.465 1.00 0.00 C ATOM 128 C ARG A 11 -0.014 13.004 -6.064 1.00 0.00 C ATOM 129 O ARG A 11 1.163 12.991 -6.426 1.00 0.00 O ATOM 130 CB ARG A 11 -1.546 13.866 -7.844 1.00 0.00 C ATOM 131 CG ARG A 11 -2.534 12.711 -7.855 1.00 0.00 C ATOM 132 CD ARG A 11 -3.949 13.186 -7.564 1.00 0.00 C ATOM 133 NE ARG A 11 -4.791 12.112 -7.045 1.00 0.00 N ATOM 134 CZ ARG A 11 -6.098 12.236 -6.840 1.00 0.00 C ATOM 135 NH1 ARG A 11 -6.709 13.382 -7.108 1.00 0.00 N ATOM 136 NH2 ARG A 11 -6.796 11.212 -6.366 1.00 0.00 N ATOM 0 H ARG A 11 0.075 15.723 -7.394 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.749 14.210 -5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.047 14.765 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.740 13.650 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.507 12.217 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.238 11.970 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.916 14.002 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.392 13.585 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.352 11.217 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.176 14.171 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.712 13.474 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.329 10.329 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.799 11.308 -6.209 1.00 0.00 H new ATOM 150 N THR A 12 -0.550 12.046 -5.313 1.00 0.00 N ATOM 151 CA THR A 12 0.232 10.902 -4.861 1.00 0.00 C ATOM 152 C THR A 12 -0.138 9.642 -5.636 1.00 0.00 C ATOM 153 O THR A 12 -1.240 9.536 -6.176 1.00 0.00 O ATOM 154 CB THR A 12 0.031 10.643 -3.356 1.00 0.00 C ATOM 155 OG1 THR A 12 0.325 11.830 -2.612 1.00 0.00 O ATOM 156 CG2 THR A 12 0.920 9.505 -2.879 1.00 0.00 C ATOM 0 H THR A 12 -1.522 12.040 -5.005 1.00 0.00 H new ATOM 0 HA THR A 12 1.279 11.143 -5.044 1.00 0.00 H new ATOM 0 HB THR A 12 -1.009 10.361 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.193 11.658 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.760 9.341 -1.813 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.673 8.596 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.965 9.762 -3.054 1.00 0.00 H new ATOM 164 N ILE A 13 0.787 8.691 -5.687 1.00 0.00 N ATOM 165 CA ILE A 13 0.556 7.438 -6.394 1.00 0.00 C ATOM 166 C ILE A 13 -0.788 6.829 -6.010 1.00 0.00 C ATOM 167 O ILE A 13 -1.326 5.984 -6.726 1.00 0.00 O ATOM 168 CB ILE A 13 1.671 6.415 -6.106 1.00 0.00 C ATOM 169 CG1 ILE A 13 3.034 6.990 -6.495 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.405 5.117 -6.855 1.00 0.00 C ATOM 171 CD1 ILE A 13 4.201 6.248 -5.882 1.00 0.00 C ATOM 0 H ILE A 13 1.704 8.764 -5.247 1.00 0.00 H new ATOM 0 HA ILE A 13 0.555 7.673 -7.458 1.00 0.00 H new ATOM 0 HB ILE A 13 1.680 6.201 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.131 6.970 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.078 8.036 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.201 4.404 -6.642 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.450 4.701 -6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.373 5.315 -7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.135 6.711 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.128 6.290 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.182 5.208 -6.207 1.00 0.00 H new ATOM 183 N TYR A 14 -1.327 7.266 -4.877 1.00 0.00 N ATOM 184 CA TYR A 14 -2.609 6.764 -4.397 1.00 0.00 C ATOM 185 C TYR A 14 -3.448 7.892 -3.805 1.00 0.00 C ATOM 186 O TYR A 14 -2.932 8.766 -3.109 1.00 0.00 O ATOM 187 CB TYR A 14 -2.392 5.671 -3.349 1.00 0.00 C ATOM 188 CG TYR A 14 -1.983 4.340 -3.938 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.685 4.125 -4.385 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.895 3.297 -4.047 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.308 2.911 -4.925 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.525 2.079 -4.583 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.231 1.891 -5.021 1.00 0.00 C ATOM 194 OH TYR A 14 -0.858 0.679 -5.557 1.00 0.00 O ATOM 0 H TYR A 14 -0.896 7.967 -4.274 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.147 6.342 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.625 5.999 -2.647 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.311 5.539 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.041 4.921 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.910 3.441 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.704 2.761 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.245 1.278 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.992 -0.028 -4.892 1.00 0.00 H new ATOM 204 N SER A 15 -4.747 7.866 -4.089 1.00 0.00 N ATOM 205 CA SER A 15 -5.659 8.887 -3.588 1.00 0.00 C ATOM 206 C SER A 15 -5.795 8.798 -2.071 1.00 0.00 C ATOM 207 O SER A 15 -5.626 7.730 -1.483 1.00 0.00 O ATOM 208 CB SER A 15 -7.033 8.739 -4.244 1.00 0.00 C ATOM 209 OG SER A 15 -7.815 9.906 -4.059 1.00 0.00 O ATOM 0 H SER A 15 -5.191 7.149 -4.663 1.00 0.00 H new ATOM 0 HA SER A 15 -5.246 9.863 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.912 8.544 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.551 7.879 -3.820 1.00 0.00 H new ATOM 0 HG SER A 15 -8.688 9.787 -4.489 1.00 0.00 H new ATOM 215 N SER A 16 -6.100 9.929 -1.443 1.00 0.00 N ATOM 216 CA SER A 16 -6.255 9.982 0.006 1.00 0.00 C ATOM 217 C SER A 16 -7.259 8.937 0.483 1.00 0.00 C ATOM 218 O SER A 16 -7.061 8.293 1.514 1.00 0.00 O ATOM 219 CB SER A 16 -6.707 11.377 0.442 1.00 0.00 C ATOM 220 OG SER A 16 -7.943 11.723 -0.160 1.00 0.00 O ATOM 0 H SER A 16 -6.245 10.821 -1.915 1.00 0.00 H new ATOM 0 HA SER A 16 -5.287 9.764 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.806 11.408 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.948 12.110 0.170 1.00 0.00 H new ATOM 0 HG SER A 16 -8.212 12.618 0.135 1.00 0.00 H new ATOM 226 N PHE A 17 -8.339 8.774 -0.275 1.00 0.00 N ATOM 227 CA PHE A 17 -9.376 7.808 0.070 1.00 0.00 C ATOM 228 C PHE A 17 -8.816 6.389 0.077 1.00 0.00 C ATOM 229 O PHE A 17 -9.028 5.632 1.025 1.00 0.00 O ATOM 230 CB PHE A 17 -10.541 7.904 -0.918 1.00 0.00 C ATOM 231 CG PHE A 17 -11.308 6.622 -1.067 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.223 6.231 -0.102 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.115 5.808 -2.171 1.00 0.00 C ATOM 234 CE1 PHE A 17 -12.930 5.051 -0.236 1.00 0.00 C ATOM 235 CE2 PHE A 17 -11.820 4.627 -2.311 1.00 0.00 C ATOM 236 CZ PHE A 17 -12.729 4.248 -1.342 1.00 0.00 C ATOM 0 H PHE A 17 -8.519 9.298 -1.131 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.738 8.042 1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.222 8.689 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.156 8.203 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.385 6.855 0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.405 6.099 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.639 4.757 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -11.660 4.001 -3.177 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.281 3.326 -1.449 1.00 0.00 H new ATOM 246 N GLN A 18 -8.102 6.035 -0.987 1.00 0.00 N ATOM 247 CA GLN A 18 -7.514 4.706 -1.104 1.00 0.00 C ATOM 248 C GLN A 18 -6.436 4.493 -0.046 1.00 0.00 C ATOM 249 O GLN A 18 -6.291 3.396 0.496 1.00 0.00 O ATOM 250 CB GLN A 18 -6.920 4.509 -2.500 1.00 0.00 C ATOM 251 CG GLN A 18 -7.966 4.439 -3.601 1.00 0.00 C ATOM 252 CD GLN A 18 -7.354 4.267 -4.977 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.179 4.571 -5.189 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.148 3.778 -5.922 1.00 0.00 N ATOM 0 H GLN A 18 -7.917 6.650 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.304 3.972 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.234 5.329 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.332 3.591 -2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.642 3.608 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.566 5.349 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.115 3.539 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.791 3.641 -6.868 1.00 0.00 H new ATOM 263 N LEU A 19 -5.683 5.547 0.245 1.00 0.00 N ATOM 264 CA LEU A 19 -4.617 5.476 1.239 1.00 0.00 C ATOM 265 C LEU A 19 -5.192 5.314 2.642 1.00 0.00 C ATOM 266 O LEU A 19 -4.931 4.319 3.319 1.00 0.00 O ATOM 267 CB LEU A 19 -3.747 6.733 1.174 1.00 0.00 C ATOM 268 CG LEU A 19 -2.578 6.689 0.189 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.679 7.902 0.374 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.783 5.403 0.362 1.00 0.00 C ATOM 0 H LEU A 19 -5.790 6.462 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.002 4.604 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.384 7.578 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.350 6.928 2.170 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.980 6.711 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.853 7.854 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.254 8.811 0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.285 7.911 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.955 5.389 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.392 5.351 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.432 4.547 0.179 1.00 0.00 H new ATOM 282 N ALA A 20 -5.976 6.296 3.072 1.00 0.00 N ATOM 283 CA ALA A 20 -6.592 6.260 4.393 1.00 0.00 C ATOM 284 C ALA A 20 -6.946 4.833 4.795 1.00 0.00 C ATOM 285 O ALA A 20 -6.716 4.423 5.932 1.00 0.00 O ATOM 286 CB ALA A 20 -7.831 7.142 4.422 1.00 0.00 C ATOM 0 H ALA A 20 -6.200 7.127 2.525 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.870 6.644 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.281 7.105 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.552 8.169 4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.550 6.784 3.685 1.00 0.00 H new ATOM 292 N ALA A 21 -7.508 4.080 3.854 1.00 0.00 N ATOM 293 CA ALA A 21 -7.892 2.698 4.111 1.00 0.00 C ATOM 294 C ALA A 21 -6.678 1.776 4.085 1.00 0.00 C ATOM 295 O ALA A 21 -6.481 0.966 4.991 1.00 0.00 O ATOM 296 CB ALA A 21 -8.926 2.241 3.092 1.00 0.00 C ATOM 0 H ALA A 21 -7.707 4.404 2.908 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.331 2.648 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.205 1.207 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.810 2.875 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.505 2.313 2.089 1.00 0.00 H new ATOM 302 N LEU A 22 -5.866 1.904 3.041 1.00 0.00 N ATOM 303 CA LEU A 22 -4.670 1.081 2.896 1.00 0.00 C ATOM 304 C LEU A 22 -3.841 1.097 4.177 1.00 0.00 C ATOM 305 O LEU A 22 -3.593 0.053 4.778 1.00 0.00 O ATOM 306 CB LEU A 22 -3.825 1.577 1.722 1.00 0.00 C ATOM 307 CG LEU A 22 -4.274 1.122 0.333 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.475 1.836 -0.747 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.133 -0.386 0.194 1.00 0.00 C ATOM 0 H LEU A 22 -6.014 2.570 2.283 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.985 0.056 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.817 2.667 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.797 1.248 1.876 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.326 1.381 0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.808 1.499 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.628 2.912 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.416 1.609 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.457 -0.692 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.090 -0.669 0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.750 -0.880 0.944 1.00 0.00 H new ATOM 321 N GLN A 23 -3.418 2.288 4.587 1.00 0.00 N ATOM 322 CA GLN A 23 -2.618 2.439 5.797 1.00 0.00 C ATOM 323 C GLN A 23 -3.338 1.846 7.003 1.00 0.00 C ATOM 324 O GLN A 23 -2.727 1.179 7.838 1.00 0.00 O ATOM 325 CB GLN A 23 -2.308 3.915 6.048 1.00 0.00 C ATOM 326 CG GLN A 23 -1.186 4.458 5.177 1.00 0.00 C ATOM 327 CD GLN A 23 -0.731 5.840 5.604 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.634 6.133 6.796 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.451 6.698 4.631 1.00 0.00 N ATOM 0 H GLN A 23 -3.616 3.162 4.100 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.683 1.898 5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.210 4.502 5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.040 4.048 7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.339 3.773 5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.521 4.494 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.545 6.412 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.141 7.643 4.858 1.00 0.00 H new ATOM 338 N ARG A 24 -4.641 2.094 7.089 1.00 0.00 N ATOM 339 CA ARG A 24 -5.445 1.587 8.194 1.00 0.00 C ATOM 340 C ARG A 24 -5.211 0.092 8.394 1.00 0.00 C ATOM 341 O ARG A 24 -4.960 -0.363 9.511 1.00 0.00 O ATOM 342 CB ARG A 24 -6.929 1.852 7.938 1.00 0.00 C ATOM 343 CG ARG A 24 -7.745 2.029 9.208 1.00 0.00 C ATOM 344 CD ARG A 24 -9.045 2.769 8.936 1.00 0.00 C ATOM 345 NE ARG A 24 -10.133 1.857 8.594 1.00 0.00 N ATOM 346 CZ ARG A 24 -11.336 2.262 8.204 1.00 0.00 C ATOM 347 NH1 ARG A 24 -11.604 3.557 8.105 1.00 0.00 N ATOM 348 NH2 ARG A 24 -12.274 1.371 7.910 1.00 0.00 N ATOM 0 H ARG A 24 -5.162 2.643 6.406 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.142 2.110 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.029 2.748 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.343 1.024 7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.964 1.053 9.640 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.159 2.579 9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.322 3.350 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.895 3.477 8.121 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.959 0.854 8.658 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.885 4.245 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.529 3.865 7.805 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.071 0.374 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.198 1.683 7.611 1.00 0.00 H new ATOM 362 N ARG A 25 -5.296 -0.666 7.306 1.00 0.00 N ATOM 363 CA ARG A 25 -5.095 -2.109 7.362 1.00 0.00 C ATOM 364 C ARG A 25 -3.617 -2.446 7.530 1.00 0.00 C ATOM 365 O ARG A 25 -3.258 -3.357 8.277 1.00 0.00 O ATOM 366 CB ARG A 25 -5.640 -2.771 6.095 1.00 0.00 C ATOM 367 CG ARG A 25 -5.960 -4.246 6.268 1.00 0.00 C ATOM 368 CD ARG A 25 -7.237 -4.449 7.068 1.00 0.00 C ATOM 369 NE ARG A 25 -8.432 -4.203 6.264 1.00 0.00 N ATOM 370 CZ ARG A 25 -9.625 -4.714 6.546 1.00 0.00 C ATOM 371 NH1 ARG A 25 -9.782 -5.494 7.606 1.00 0.00 N ATOM 372 NH2 ARG A 25 -10.664 -4.443 5.766 1.00 0.00 N ATOM 0 H ARG A 25 -5.503 -0.305 6.375 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.637 -2.493 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.542 -2.247 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.910 -2.658 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.064 -4.714 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.131 -4.743 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.264 -5.468 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.235 -3.781 7.929 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.345 -3.606 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.985 -5.703 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.699 -5.885 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.546 -3.842 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.580 -4.835 5.982 1.00 0.00 H new ATOM 386 N PHE A 26 -2.763 -1.707 6.830 1.00 0.00 N ATOM 387 CA PHE A 26 -1.323 -1.928 6.900 1.00 0.00 C ATOM 388 C PHE A 26 -0.837 -1.890 8.345 1.00 0.00 C ATOM 389 O PHE A 26 -0.247 -2.851 8.838 1.00 0.00 O ATOM 390 CB PHE A 26 -0.583 -0.875 6.073 1.00 0.00 C ATOM 391 CG PHE A 26 0.880 -1.169 5.900 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.302 -2.398 5.421 1.00 0.00 C ATOM 393 CD2 PHE A 26 1.833 -0.214 6.217 1.00 0.00 C ATOM 394 CE1 PHE A 26 2.647 -2.671 5.261 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.180 -0.481 6.058 1.00 0.00 C ATOM 396 CZ PHE A 26 3.588 -1.712 5.581 1.00 0.00 C ATOM 0 H PHE A 26 -3.043 -0.949 6.207 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.112 -2.916 6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.050 -0.802 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.696 0.097 6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.571 -3.152 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.520 0.749 6.592 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.962 -3.634 4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.913 0.272 6.306 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.640 -1.924 5.459 1.00 0.00 H new ATOM 406 N GLN A 27 -1.089 -0.773 9.019 1.00 0.00 N ATOM 407 CA GLN A 27 -0.676 -0.608 10.408 1.00 0.00 C ATOM 408 C GLN A 27 -1.041 -1.837 11.233 1.00 0.00 C ATOM 409 O GLN A 27 -0.218 -2.362 11.983 1.00 0.00 O ATOM 410 CB GLN A 27 -1.326 0.638 11.011 1.00 0.00 C ATOM 411 CG GLN A 27 -0.783 1.941 10.447 1.00 0.00 C ATOM 412 CD GLN A 27 0.584 2.292 11.000 1.00 0.00 C ATOM 413 OE1 GLN A 27 0.699 2.867 12.083 1.00 0.00 O ATOM 414 NE2 GLN A 27 1.630 1.949 10.258 1.00 0.00 N ATOM 0 H GLN A 27 -1.577 0.032 8.626 1.00 0.00 H new ATOM 0 HA GLN A 27 0.407 -0.489 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.401 0.597 10.837 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.177 0.629 12.091 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.723 1.865 9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.480 2.748 10.672 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.489 1.474 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.575 2.161 10.579 1.00 0.00 H new ATOM 423 N LYS A 28 -2.282 -2.292 11.091 1.00 0.00 N ATOM 424 CA LYS A 28 -2.757 -3.460 11.823 1.00 0.00 C ATOM 425 C LYS A 28 -1.917 -4.689 11.492 1.00 0.00 C ATOM 426 O LYS A 28 -1.475 -5.411 12.386 1.00 0.00 O ATOM 427 CB LYS A 28 -4.227 -3.730 11.493 1.00 0.00 C ATOM 428 CG LYS A 28 -4.776 -4.987 12.146 1.00 0.00 C ATOM 429 CD LYS A 28 -6.062 -5.446 11.479 1.00 0.00 C ATOM 430 CE LYS A 28 -6.781 -6.493 12.316 1.00 0.00 C ATOM 431 NZ LYS A 28 -8.028 -6.969 11.656 1.00 0.00 N ATOM 0 H LYS A 28 -2.977 -1.869 10.475 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.661 -3.253 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.825 -2.875 11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.339 -3.814 10.412 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.032 -5.782 12.090 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.961 -4.798 13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.718 -4.590 11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.836 -5.857 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.116 -7.339 12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.024 -6.073 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.489 -7.681 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.674 -6.166 11.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.794 -7.392 10.735 1.00 0.00 H new ATOM 445 N THR A 29 -1.698 -4.920 10.201 1.00 0.00 N ATOM 446 CA THR A 29 -0.910 -6.061 9.752 1.00 0.00 C ATOM 447 C THR A 29 -0.268 -5.787 8.397 1.00 0.00 C ATOM 448 O THR A 29 -0.905 -5.237 7.499 1.00 0.00 O ATOM 449 CB THR A 29 -1.772 -7.334 9.651 1.00 0.00 C ATOM 450 OG1 THR A 29 -0.943 -8.466 9.367 1.00 0.00 O ATOM 451 CG2 THR A 29 -2.828 -7.188 8.565 1.00 0.00 C ATOM 0 H THR A 29 -2.055 -4.332 9.448 1.00 0.00 H new ATOM 0 HA THR A 29 -0.129 -6.218 10.496 1.00 0.00 H new ATOM 0 HB THR A 29 -2.274 -7.482 10.607 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.165 -8.820 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.424 -8.099 8.512 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.476 -6.343 8.799 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.341 -7.017 7.605 1.00 0.00 H new ATOM 459 N GLN A 30 0.995 -6.175 8.257 1.00 0.00 N ATOM 460 CA GLN A 30 1.723 -5.970 7.010 1.00 0.00 C ATOM 461 C GLN A 30 1.397 -7.068 6.003 1.00 0.00 C ATOM 462 O GLN A 30 1.656 -6.924 4.808 1.00 0.00 O ATOM 463 CB GLN A 30 3.229 -5.935 7.274 1.00 0.00 C ATOM 464 CG GLN A 30 3.625 -5.020 8.422 1.00 0.00 C ATOM 465 CD GLN A 30 3.226 -3.577 8.182 1.00 0.00 C ATOM 466 OE1 GLN A 30 2.041 -3.257 8.081 1.00 0.00 O ATOM 467 NE2 GLN A 30 4.216 -2.696 8.089 1.00 0.00 N ATOM 0 H GLN A 30 1.536 -6.633 8.991 1.00 0.00 H new ATOM 0 HA GLN A 30 1.413 -5.013 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.575 -6.946 7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.741 -5.610 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.158 -5.374 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.703 -5.075 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.184 -3.005 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.008 -1.710 7.928 1.00 0.00 H new ATOM 476 N TYR A 31 0.828 -8.163 6.493 1.00 0.00 N ATOM 477 CA TYR A 31 0.469 -9.287 5.636 1.00 0.00 C ATOM 478 C TYR A 31 -1.044 -9.477 5.591 1.00 0.00 C ATOM 479 O TYR A 31 -1.715 -9.454 6.624 1.00 0.00 O ATOM 480 CB TYR A 31 1.141 -10.569 6.132 1.00 0.00 C ATOM 481 CG TYR A 31 2.525 -10.347 6.698 1.00 0.00 C ATOM 482 CD1 TYR A 31 3.427 -9.498 6.068 1.00 0.00 C ATOM 483 CD2 TYR A 31 2.931 -10.987 7.863 1.00 0.00 C ATOM 484 CE1 TYR A 31 4.693 -9.293 6.582 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.195 -10.786 8.384 1.00 0.00 C ATOM 486 CZ TYR A 31 5.072 -9.939 7.740 1.00 0.00 C ATOM 487 OH TYR A 31 6.332 -9.738 8.255 1.00 0.00 O ATOM 0 H TYR A 31 0.605 -8.297 7.479 1.00 0.00 H new ATOM 0 HA TYR A 31 0.819 -9.068 4.627 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.513 -11.025 6.897 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.204 -11.279 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.133 -8.990 5.161 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.247 -11.652 8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.382 -8.630 6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.494 -11.290 9.291 1.00 0.00 H new ATOM 0 HH TYR A 31 6.439 -10.266 9.074 1.00 0.00 H new ATOM 497 N LEU A 32 -1.575 -9.664 4.388 1.00 0.00 N ATOM 498 CA LEU A 32 -3.009 -9.858 4.206 1.00 0.00 C ATOM 499 C LEU A 32 -3.298 -11.217 3.576 1.00 0.00 C ATOM 500 O LEU A 32 -2.562 -11.677 2.703 1.00 0.00 O ATOM 501 CB LEU A 32 -3.588 -8.744 3.333 1.00 0.00 C ATOM 502 CG LEU A 32 -3.569 -7.339 3.936 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.144 -6.329 2.956 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.342 -7.312 5.247 1.00 0.00 C ATOM 0 H LEU A 32 -1.034 -9.685 3.524 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.483 -9.825 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.035 -8.722 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.619 -8.999 3.090 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.534 -7.066 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.122 -5.335 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.549 -6.329 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.173 -6.598 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.318 -6.305 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.376 -7.606 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.886 -8.006 5.953 1.00 0.00 H new ATOM 516 N ALA A 33 -4.377 -11.852 4.022 1.00 0.00 N ATOM 517 CA ALA A 33 -4.766 -13.156 3.498 1.00 0.00 C ATOM 518 C ALA A 33 -5.252 -13.046 2.057 1.00 0.00 C ATOM 519 O ALA A 33 -5.201 -11.973 1.454 1.00 0.00 O ATOM 520 CB ALA A 33 -5.845 -13.776 4.375 1.00 0.00 C ATOM 0 H ALA A 33 -4.997 -11.485 4.744 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.888 -13.802 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.126 -14.749 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.464 -13.899 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.719 -13.124 4.392 1.00 0.00 H new ATOM 526 N LEU A 34 -5.722 -14.161 1.510 1.00 0.00 N ATOM 527 CA LEU A 34 -6.216 -14.191 0.137 1.00 0.00 C ATOM 528 C LEU A 34 -7.394 -13.237 -0.037 1.00 0.00 C ATOM 529 O LEU A 34 -7.351 -12.298 -0.832 1.00 0.00 O ATOM 530 CB LEU A 34 -6.634 -15.612 -0.245 1.00 0.00 C ATOM 531 CG LEU A 34 -7.813 -15.727 -1.212 1.00 0.00 C ATOM 532 CD1 LEU A 34 -7.411 -15.256 -2.601 1.00 0.00 C ATOM 533 CD2 LEU A 34 -8.325 -17.160 -1.260 1.00 0.00 C ATOM 0 H LEU A 34 -5.772 -15.057 1.996 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.410 -13.868 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.775 -16.115 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.884 -16.154 0.667 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.618 -15.086 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.262 -15.345 -3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.092 -14.215 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.590 -15.870 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.164 -17.224 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.526 -17.821 -1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.652 -17.463 -0.265 1.00 0.00 H new ATOM 545 N PRO A 35 -8.471 -13.482 0.723 1.00 0.00 N ATOM 546 CA PRO A 35 -9.681 -12.655 0.673 1.00 0.00 C ATOM 547 C PRO A 35 -9.458 -11.266 1.262 1.00 0.00 C ATOM 548 O PRO A 35 -10.126 -10.306 0.879 1.00 0.00 O ATOM 549 CB PRO A 35 -10.684 -13.441 1.520 1.00 0.00 C ATOM 550 CG PRO A 35 -9.845 -14.246 2.451 1.00 0.00 C ATOM 551 CD PRO A 35 -8.592 -14.585 1.692 1.00 0.00 C ATOM 0 HA PRO A 35 -10.013 -12.480 -0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.351 -12.773 2.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.311 -14.081 0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.613 -13.682 3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.368 -15.150 2.765 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.725 -14.638 2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.673 -15.551 1.193 1.00 0.00 H new ATOM 559 N GLU A 36 -8.516 -11.168 2.194 1.00 0.00 N ATOM 560 CA GLU A 36 -8.206 -9.896 2.836 1.00 0.00 C ATOM 561 C GLU A 36 -7.633 -8.903 1.828 1.00 0.00 C ATOM 562 O GLU A 36 -8.054 -7.747 1.772 1.00 0.00 O ATOM 563 CB GLU A 36 -7.215 -10.105 3.983 1.00 0.00 C ATOM 564 CG GLU A 36 -7.865 -10.587 5.269 1.00 0.00 C ATOM 565 CD GLU A 36 -7.068 -10.209 6.502 1.00 0.00 C ATOM 566 OE1 GLU A 36 -5.828 -10.108 6.400 1.00 0.00 O ATOM 567 OE2 GLU A 36 -7.686 -10.014 7.570 1.00 0.00 O ATOM 0 H GLU A 36 -7.954 -11.954 2.521 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.133 -9.486 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.461 -10.829 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.695 -9.167 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.867 -10.165 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.977 -11.671 5.231 1.00 0.00 H new ATOM 574 N ARG A 37 -6.671 -9.363 1.036 1.00 0.00 N ATOM 575 CA ARG A 37 -6.038 -8.516 0.031 1.00 0.00 C ATOM 576 C ARG A 37 -7.055 -8.052 -1.007 1.00 0.00 C ATOM 577 O ARG A 37 -7.107 -6.873 -1.356 1.00 0.00 O ATOM 578 CB ARG A 37 -4.898 -9.269 -0.656 1.00 0.00 C ATOM 579 CG ARG A 37 -4.230 -8.478 -1.770 1.00 0.00 C ATOM 580 CD ARG A 37 -3.224 -9.328 -2.530 1.00 0.00 C ATOM 581 NE ARG A 37 -3.626 -10.731 -2.588 1.00 0.00 N ATOM 582 CZ ARG A 37 -3.361 -11.611 -1.629 1.00 0.00 C ATOM 583 NH1 ARG A 37 -2.700 -11.235 -0.544 1.00 0.00 N ATOM 584 NH2 ARG A 37 -3.760 -12.871 -1.755 1.00 0.00 N ATOM 0 H ARG A 37 -6.312 -10.317 1.070 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.633 -7.638 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.148 -9.535 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.285 -10.202 -1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.988 -8.106 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.728 -7.607 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.114 -8.940 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.248 -9.250 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.138 -11.052 -3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.393 -10.267 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.498 -11.913 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.270 -13.163 -2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.556 -13.547 -1.018 1.00 0.00 H new ATOM 598 N ALA A 38 -7.862 -8.988 -1.497 1.00 0.00 N ATOM 599 CA ALA A 38 -8.878 -8.675 -2.495 1.00 0.00 C ATOM 600 C ALA A 38 -9.874 -7.652 -1.960 1.00 0.00 C ATOM 601 O ALA A 38 -10.418 -6.849 -2.717 1.00 0.00 O ATOM 602 CB ALA A 38 -9.600 -9.942 -2.928 1.00 0.00 C ATOM 0 H ALA A 38 -7.832 -9.969 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.380 -8.240 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.356 -9.694 -3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.882 -10.641 -3.358 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.080 -10.401 -2.064 1.00 0.00 H new ATOM 608 N GLU A 39 -10.109 -7.688 -0.652 1.00 0.00 N ATOM 609 CA GLU A 39 -11.042 -6.764 -0.018 1.00 0.00 C ATOM 610 C GLU A 39 -10.669 -5.317 -0.327 1.00 0.00 C ATOM 611 O GLU A 39 -11.522 -4.509 -0.696 1.00 0.00 O ATOM 612 CB GLU A 39 -11.064 -6.985 1.496 1.00 0.00 C ATOM 613 CG GLU A 39 -12.359 -6.543 2.157 1.00 0.00 C ATOM 614 CD GLU A 39 -12.381 -5.057 2.460 1.00 0.00 C ATOM 615 OE1 GLU A 39 -11.296 -4.478 2.672 1.00 0.00 O ATOM 616 OE2 GLU A 39 -13.486 -4.474 2.484 1.00 0.00 O ATOM 0 H GLU A 39 -9.666 -8.347 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.036 -6.958 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.903 -8.043 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.233 -6.442 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.198 -6.790 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.499 -7.101 3.083 1.00 0.00 H new ATOM 623 N LEU A 40 -9.389 -4.997 -0.172 1.00 0.00 N ATOM 624 CA LEU A 40 -8.902 -3.647 -0.433 1.00 0.00 C ATOM 625 C LEU A 40 -9.016 -3.304 -1.915 1.00 0.00 C ATOM 626 O LEU A 40 -9.305 -2.164 -2.278 1.00 0.00 O ATOM 627 CB LEU A 40 -7.447 -3.512 0.022 1.00 0.00 C ATOM 628 CG LEU A 40 -7.125 -4.064 1.411 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.757 -3.585 1.871 1.00 0.00 C ATOM 630 CD2 LEU A 40 -8.198 -3.656 2.409 1.00 0.00 C ATOM 0 H LEU A 40 -8.670 -5.653 0.133 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.520 -2.949 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.811 -4.018 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.177 -2.456 0.001 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.106 -5.152 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.545 -3.988 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.997 -3.928 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.748 -2.496 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.952 -4.058 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.249 -2.569 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.162 -4.049 2.087 1.00 0.00 H new ATOM 642 N ALA A 41 -8.791 -4.299 -2.767 1.00 0.00 N ATOM 643 CA ALA A 41 -8.873 -4.103 -4.209 1.00 0.00 C ATOM 644 C ALA A 41 -10.315 -3.880 -4.651 1.00 0.00 C ATOM 645 O ALA A 41 -10.582 -3.084 -5.550 1.00 0.00 O ATOM 646 CB ALA A 41 -8.273 -5.296 -4.938 1.00 0.00 C ATOM 0 H ALA A 41 -8.551 -5.249 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.301 -3.211 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.341 -5.137 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.227 -5.408 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.821 -6.199 -4.670 1.00 0.00 H new ATOM 652 N ALA A 42 -11.241 -4.590 -4.014 1.00 0.00 N ATOM 653 CA ALA A 42 -12.656 -4.468 -4.342 1.00 0.00 C ATOM 654 C ALA A 42 -13.295 -3.305 -3.591 1.00 0.00 C ATOM 655 O ALA A 42 -14.279 -2.723 -4.049 1.00 0.00 O ATOM 656 CB ALA A 42 -13.384 -5.766 -4.026 1.00 0.00 C ATOM 0 H ALA A 42 -11.036 -5.255 -3.268 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.740 -4.267 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.440 -5.661 -4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.952 -6.577 -4.611 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.283 -5.991 -2.964 1.00 0.00 H new ATOM 662 N SER A 43 -12.730 -2.971 -2.435 1.00 0.00 N ATOM 663 CA SER A 43 -13.248 -1.879 -1.618 1.00 0.00 C ATOM 664 C SER A 43 -12.725 -0.534 -2.114 1.00 0.00 C ATOM 665 O SER A 43 -13.501 0.360 -2.452 1.00 0.00 O ATOM 666 CB SER A 43 -12.859 -2.082 -0.153 1.00 0.00 C ATOM 667 OG SER A 43 -13.585 -3.153 0.424 1.00 0.00 O ATOM 0 H SER A 43 -11.914 -3.441 -2.043 1.00 0.00 H new ATOM 0 HA SER A 43 -14.335 -1.879 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.790 -2.283 -0.082 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.049 -1.166 0.407 1.00 0.00 H new ATOM 0 HG SER A 43 -13.482 -3.131 1.398 1.00 0.00 H new ATOM 673 N LEU A 44 -11.404 -0.399 -2.154 1.00 0.00 N ATOM 674 CA LEU A 44 -10.775 0.836 -2.608 1.00 0.00 C ATOM 675 C LEU A 44 -10.884 0.978 -4.123 1.00 0.00 C ATOM 676 O LEU A 44 -10.571 2.028 -4.682 1.00 0.00 O ATOM 677 CB LEU A 44 -9.305 0.868 -2.186 1.00 0.00 C ATOM 678 CG LEU A 44 -9.018 0.509 -0.727 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.539 0.681 -0.416 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.864 1.359 0.208 1.00 0.00 C ATOM 0 H LEU A 44 -10.748 -1.129 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.298 1.673 -2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.749 0.181 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.914 1.868 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.282 -0.537 -0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.354 0.421 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.953 0.028 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.249 1.717 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.646 1.090 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.633 2.413 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.920 1.185 0.002 1.00 0.00 H new ATOM 692 N GLY A 45 -11.332 -0.087 -4.781 1.00 0.00 N ATOM 693 CA GLY A 45 -11.476 -0.060 -6.225 1.00 0.00 C ATOM 694 C GLY A 45 -10.159 -0.274 -6.944 1.00 0.00 C ATOM 695 O GLY A 45 -9.976 0.185 -8.072 1.00 0.00 O ATOM 0 H GLY A 45 -11.598 -0.968 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.183 -0.831 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.899 0.898 -6.527 1.00 0.00 H new ATOM 699 N LEU A 46 -9.237 -0.972 -6.290 1.00 0.00 N ATOM 700 CA LEU A 46 -7.928 -1.246 -6.873 1.00 0.00 C ATOM 701 C LEU A 46 -7.794 -2.719 -7.242 1.00 0.00 C ATOM 702 O LEU A 46 -8.695 -3.520 -6.989 1.00 0.00 O ATOM 703 CB LEU A 46 -6.820 -0.850 -5.895 1.00 0.00 C ATOM 704 CG LEU A 46 -6.825 0.606 -5.428 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.154 0.733 -4.070 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.135 1.496 -6.452 1.00 0.00 C ATOM 0 H LEU A 46 -9.372 -1.359 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.831 -0.653 -7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.891 -1.492 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.858 -1.057 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.860 0.933 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.167 1.776 -3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.691 0.126 -3.341 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.122 0.388 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.148 2.529 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.103 1.169 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.659 1.428 -7.405 1.00 0.00 H new ATOM 718 N THR A 47 -6.661 -3.073 -7.841 1.00 0.00 N ATOM 719 CA THR A 47 -6.407 -4.450 -8.245 1.00 0.00 C ATOM 720 C THR A 47 -5.395 -5.117 -7.320 1.00 0.00 C ATOM 721 O THR A 47 -4.614 -4.441 -6.651 1.00 0.00 O ATOM 722 CB THR A 47 -5.888 -4.525 -9.693 1.00 0.00 C ATOM 723 OG1 THR A 47 -6.011 -5.863 -10.189 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.435 -4.081 -9.771 1.00 0.00 C ATOM 0 H THR A 47 -5.904 -2.424 -8.057 1.00 0.00 H new ATOM 0 HA THR A 47 -7.358 -4.978 -8.180 1.00 0.00 H new ATOM 0 HB THR A 47 -6.489 -3.854 -10.306 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.680 -5.902 -11.111 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.091 -4.143 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.350 -3.052 -9.421 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.822 -4.730 -9.145 1.00 0.00 H new ATOM 732 N GLN A 48 -5.415 -6.446 -7.288 1.00 0.00 N ATOM 733 CA GLN A 48 -4.498 -7.203 -6.444 1.00 0.00 C ATOM 734 C GLN A 48 -3.051 -6.820 -6.732 1.00 0.00 C ATOM 735 O GLN A 48 -2.205 -6.827 -5.837 1.00 0.00 O ATOM 736 CB GLN A 48 -4.694 -8.704 -6.661 1.00 0.00 C ATOM 737 CG GLN A 48 -5.929 -9.263 -5.973 1.00 0.00 C ATOM 738 CD GLN A 48 -6.402 -10.565 -6.588 1.00 0.00 C ATOM 739 OE1 GLN A 48 -5.835 -11.042 -7.572 1.00 0.00 O ATOM 740 NE2 GLN A 48 -7.446 -11.148 -6.011 1.00 0.00 N ATOM 0 H GLN A 48 -6.056 -7.020 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.718 -6.962 -5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.764 -8.902 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.814 -9.233 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.711 -9.423 -4.917 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.733 -8.528 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.885 -10.718 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.809 -12.026 -6.381 1.00 0.00 H new ATOM 749 N THR A 49 -2.771 -6.485 -7.988 1.00 0.00 N ATOM 750 CA THR A 49 -1.426 -6.101 -8.395 1.00 0.00 C ATOM 751 C THR A 49 -1.068 -4.714 -7.873 1.00 0.00 C ATOM 752 O THR A 49 0.095 -4.314 -7.894 1.00 0.00 O ATOM 753 CB THR A 49 -1.277 -6.114 -9.929 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.883 -7.293 -10.469 1.00 0.00 O ATOM 755 CG2 THR A 49 0.189 -6.060 -10.331 1.00 0.00 C ATOM 0 H THR A 49 -3.459 -6.472 -8.741 1.00 0.00 H new ATOM 0 HA THR A 49 -0.745 -6.835 -7.965 1.00 0.00 H new ATOM 0 HB THR A 49 -1.779 -5.233 -10.329 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.786 -7.293 -11.444 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.269 -6.070 -11.418 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.639 -5.146 -9.943 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.711 -6.925 -9.921 1.00 0.00 H new ATOM 763 N GLN A 50 -2.077 -3.985 -7.405 1.00 0.00 N ATOM 764 CA GLN A 50 -1.867 -2.642 -6.877 1.00 0.00 C ATOM 765 C GLN A 50 -1.696 -2.673 -5.362 1.00 0.00 C ATOM 766 O GLN A 50 -0.746 -2.106 -4.823 1.00 0.00 O ATOM 767 CB GLN A 50 -3.041 -1.736 -7.252 1.00 0.00 C ATOM 768 CG GLN A 50 -2.974 -1.211 -8.677 1.00 0.00 C ATOM 769 CD GLN A 50 -3.618 0.154 -8.827 1.00 0.00 C ATOM 770 OE1 GLN A 50 -3.175 1.132 -8.224 1.00 0.00 O ATOM 771 NE2 GLN A 50 -4.670 0.226 -9.634 1.00 0.00 N ATOM 0 H GLN A 50 -3.046 -4.302 -7.381 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.954 -2.243 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.972 -2.288 -7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.072 -0.891 -6.564 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.932 -1.153 -8.990 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.469 -1.917 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.003 -0.610 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.145 1.118 -9.774 1.00 0.00 H new ATOM 780 N VAL A 51 -2.623 -3.339 -4.680 1.00 0.00 N ATOM 781 CA VAL A 51 -2.574 -3.444 -3.227 1.00 0.00 C ATOM 782 C VAL A 51 -1.376 -4.271 -2.776 1.00 0.00 C ATOM 783 O VAL A 51 -0.922 -4.158 -1.637 1.00 0.00 O ATOM 784 CB VAL A 51 -3.862 -4.078 -2.667 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.682 -4.446 -1.202 1.00 0.00 C ATOM 786 CG2 VAL A 51 -5.042 -3.135 -2.848 1.00 0.00 C ATOM 0 H VAL A 51 -3.416 -3.814 -5.111 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.478 -2.430 -2.839 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.069 -4.992 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.602 -4.892 -0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.865 -5.161 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.451 -3.549 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.943 -3.599 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.847 -2.203 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.182 -2.927 -3.909 1.00 0.00 H new ATOM 796 N LYS A 52 -0.866 -5.104 -3.677 1.00 0.00 N ATOM 797 CA LYS A 52 0.282 -5.951 -3.374 1.00 0.00 C ATOM 798 C LYS A 52 1.566 -5.129 -3.327 1.00 0.00 C ATOM 799 O LYS A 52 2.299 -5.162 -2.338 1.00 0.00 O ATOM 800 CB LYS A 52 0.412 -7.061 -4.418 1.00 0.00 C ATOM 801 CG LYS A 52 -0.345 -8.328 -4.057 1.00 0.00 C ATOM 802 CD LYS A 52 -0.568 -9.210 -5.274 1.00 0.00 C ATOM 803 CE LYS A 52 0.716 -9.904 -5.703 1.00 0.00 C ATOM 804 NZ LYS A 52 0.451 -11.040 -6.627 1.00 0.00 N ATOM 0 H LYS A 52 -1.230 -5.211 -4.624 1.00 0.00 H new ATOM 0 HA LYS A 52 0.123 -6.400 -2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.048 -6.691 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.467 -7.303 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.212 -8.883 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.306 -8.065 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.329 -9.957 -5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.949 -8.606 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.372 -9.184 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.244 -10.268 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.351 -11.486 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.154 -11.740 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.030 -10.689 -7.480 1.00 0.00 H new ATOM 818 N ILE A 53 1.832 -4.393 -4.401 1.00 0.00 N ATOM 819 CA ILE A 53 3.027 -3.562 -4.480 1.00 0.00 C ATOM 820 C ILE A 53 3.038 -2.509 -3.376 1.00 0.00 C ATOM 821 O ILE A 53 4.086 -2.201 -2.809 1.00 0.00 O ATOM 822 CB ILE A 53 3.134 -2.858 -5.846 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.095 -3.887 -6.978 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.409 -2.032 -5.917 1.00 0.00 C ATOM 825 CD1 ILE A 53 2.968 -3.268 -8.352 1.00 0.00 C ATOM 0 H ILE A 53 1.236 -4.355 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 53 3.882 -4.226 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 53 2.283 -2.187 -5.961 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.003 -4.489 -6.942 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.257 -4.564 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.471 -1.541 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.399 -1.279 -5.129 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.273 -2.684 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.946 -4.056 -9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.046 -2.689 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.820 -2.613 -8.536 1.00 0.00 H new ATOM 837 N TRP A 54 1.865 -1.963 -3.076 1.00 0.00 N ATOM 838 CA TRP A 54 1.739 -0.945 -2.039 1.00 0.00 C ATOM 839 C TRP A 54 2.205 -1.483 -0.690 1.00 0.00 C ATOM 840 O TRP A 54 2.978 -0.833 0.015 1.00 0.00 O ATOM 841 CB TRP A 54 0.290 -0.466 -1.938 1.00 0.00 C ATOM 842 CG TRP A 54 0.109 0.683 -0.994 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.034 2.001 -1.325 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.052 0.618 0.435 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.175 2.759 -0.188 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.127 1.934 0.905 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.133 -0.423 1.363 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.225 2.233 2.261 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.036 -0.125 2.709 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.142 1.194 3.148 1.00 0.00 C ATOM 0 H TRP A 54 0.988 -2.208 -3.536 1.00 0.00 H new ATOM 0 HA TRP A 54 2.374 -0.102 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.058 -0.172 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.338 -1.296 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.036 2.390 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.296 3.771 -0.162 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.269 -1.443 1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.362 3.249 2.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.098 -0.922 3.435 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.215 1.394 4.207 1.00 0.00 H new ATOM 861 N PHE A 55 1.731 -2.672 -0.336 1.00 0.00 N ATOM 862 CA PHE A 55 2.098 -3.297 0.929 1.00 0.00 C ATOM 863 C PHE A 55 3.564 -3.722 0.920 1.00 0.00 C ATOM 864 O PHE A 55 4.179 -3.885 1.973 1.00 0.00 O ATOM 865 CB PHE A 55 1.206 -4.509 1.203 1.00 0.00 C ATOM 866 CG PHE A 55 -0.041 -4.174 1.970 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.060 -3.445 1.378 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.195 -4.589 3.283 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.208 -3.135 2.082 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.341 -4.282 3.992 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.349 -3.555 3.391 1.00 0.00 C ATOM 0 H PHE A 55 1.091 -3.223 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 55 1.955 -2.563 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.927 -4.967 0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.777 -5.252 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.956 -3.115 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.590 -5.159 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.994 -2.565 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.448 -4.611 5.015 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.246 -3.315 3.943 1.00 0.00 H new ATOM 881 N GLN A 56 4.115 -3.899 -0.276 1.00 0.00 N ATOM 882 CA GLN A 56 5.507 -4.307 -0.422 1.00 0.00 C ATOM 883 C GLN A 56 6.444 -3.117 -0.242 1.00 0.00 C ATOM 884 O GLN A 56 7.334 -3.138 0.607 1.00 0.00 O ATOM 885 CB GLN A 56 5.733 -4.946 -1.794 1.00 0.00 C ATOM 886 CG GLN A 56 5.633 -6.462 -1.782 1.00 0.00 C ATOM 887 CD GLN A 56 6.187 -7.093 -3.045 1.00 0.00 C ATOM 888 OE1 GLN A 56 5.436 -7.461 -3.949 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.506 -7.222 -3.113 1.00 0.00 N ATOM 0 H GLN A 56 3.619 -3.766 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 56 5.727 -5.041 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.001 -4.547 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.718 -4.658 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.173 -6.851 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.589 -6.753 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.090 -6.903 -2.340 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.936 -7.640 -3.938 1.00 0.00 H new ATOM 898 N ASN A 57 6.238 -2.080 -1.048 1.00 0.00 N ATOM 899 CA ASN A 57 7.065 -0.881 -0.978 1.00 0.00 C ATOM 900 C ASN A 57 6.987 -0.246 0.407 1.00 0.00 C ATOM 901 O ASN A 57 7.925 0.415 0.853 1.00 0.00 O ATOM 902 CB ASN A 57 6.626 0.129 -2.040 1.00 0.00 C ATOM 903 CG ASN A 57 7.053 -0.278 -3.437 1.00 0.00 C ATOM 904 OD1 ASN A 57 7.559 -1.381 -3.647 1.00 0.00 O ATOM 905 ND2 ASN A 57 6.851 0.613 -4.401 1.00 0.00 N ATOM 0 H ASN A 57 5.505 -2.046 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 57 8.098 -1.171 -1.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.541 0.234 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.048 1.106 -1.804 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.118 0.395 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.428 1.515 -4.181 1.00 0.00 H new ATOM 912 N LYS A 58 5.862 -0.452 1.083 1.00 0.00 N ATOM 913 CA LYS A 58 5.661 0.097 2.419 1.00 0.00 C ATOM 914 C LYS A 58 6.526 -0.630 3.443 1.00 0.00 C ATOM 915 O LYS A 58 7.141 -0.004 4.307 1.00 0.00 O ATOM 916 CB LYS A 58 4.187 -0.004 2.817 1.00 0.00 C ATOM 917 CG LYS A 58 3.378 1.235 2.476 1.00 0.00 C ATOM 918 CD LYS A 58 3.431 2.262 3.595 1.00 0.00 C ATOM 919 CE LYS A 58 2.256 3.224 3.525 1.00 0.00 C ATOM 920 NZ LYS A 58 2.606 4.567 4.065 1.00 0.00 N ATOM 0 H LYS A 58 5.075 -0.995 0.728 1.00 0.00 H new ATOM 0 HA LYS A 58 5.956 1.146 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.743 -0.866 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.121 -0.187 3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.760 1.678 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.342 0.954 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.428 1.752 4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.365 2.821 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.929 3.323 2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.417 2.814 4.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.779 5.194 4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.894 4.477 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.390 4.970 3.513 1.00 0.00 H new ATOM 934 N ARG A 59 6.571 -1.954 3.340 1.00 0.00 N ATOM 935 CA ARG A 59 7.361 -2.766 4.257 1.00 0.00 C ATOM 936 C ARG A 59 8.823 -2.329 4.247 1.00 0.00 C ATOM 937 O ARG A 59 9.447 -2.191 5.299 1.00 0.00 O ATOM 938 CB ARG A 59 7.258 -4.245 3.881 1.00 0.00 C ATOM 939 CG ARG A 59 6.113 -4.970 4.571 1.00 0.00 C ATOM 940 CD ARG A 59 6.551 -5.565 5.900 1.00 0.00 C ATOM 941 NE ARG A 59 7.584 -6.584 5.730 1.00 0.00 N ATOM 942 CZ ARG A 59 8.318 -7.061 6.729 1.00 0.00 C ATOM 943 NH1 ARG A 59 8.132 -6.615 7.964 1.00 0.00 N ATOM 944 NH2 ARG A 59 9.238 -7.987 6.494 1.00 0.00 N ATOM 0 H ARG A 59 6.069 -2.487 2.630 1.00 0.00 H new ATOM 0 HA ARG A 59 6.963 -2.625 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.132 -4.329 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.195 -4.741 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.288 -4.276 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.739 -5.762 3.922 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.927 -4.772 6.546 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.689 -6.003 6.403 1.00 0.00 H new ATOM 0 HE ARG A 59 7.751 -6.949 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.424 -5.904 8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.697 -6.983 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.382 -8.333 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.801 -8.353 7.262 1.00 0.00 H new ATOM 958 N SER A 60 9.363 -2.114 3.052 1.00 0.00 N ATOM 959 CA SER A 60 10.753 -1.697 2.905 1.00 0.00 C ATOM 960 C SER A 60 11.057 -0.496 3.795 1.00 0.00 C ATOM 961 O SER A 60 12.079 -0.458 4.481 1.00 0.00 O ATOM 962 CB SER A 60 11.053 -1.353 1.445 1.00 0.00 C ATOM 963 OG SER A 60 12.401 -0.946 1.283 1.00 0.00 O ATOM 0 H SER A 60 8.860 -2.222 2.171 1.00 0.00 H new ATOM 0 HA SER A 60 11.390 -2.526 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.854 -2.220 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.387 -0.557 1.111 1.00 0.00 H new ATOM 0 HG SER A 60 12.568 -0.733 0.341 1.00 0.00 H new ATOM 969 N LYS A 61 10.162 0.486 3.780 1.00 0.00 N ATOM 970 CA LYS A 61 10.331 1.689 4.585 1.00 0.00 C ATOM 971 C LYS A 61 10.341 1.351 6.073 1.00 0.00 C ATOM 972 O LYS A 61 11.169 1.861 6.829 1.00 0.00 O ATOM 973 CB LYS A 61 9.212 2.689 4.286 1.00 0.00 C ATOM 974 CG LYS A 61 9.548 3.663 3.170 1.00 0.00 C ATOM 975 CD LYS A 61 9.378 3.023 1.802 1.00 0.00 C ATOM 976 CE LYS A 61 10.671 2.384 1.321 1.00 0.00 C ATOM 977 NZ LYS A 61 10.501 1.710 0.004 1.00 0.00 N ATOM 0 H LYS A 61 9.311 0.472 3.218 1.00 0.00 H new ATOM 0 HA LYS A 61 11.290 2.138 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.308 2.141 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.987 3.251 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.905 4.540 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.575 4.010 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.593 2.268 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.054 3.777 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.445 3.147 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.014 1.658 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.310 1.081 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.623 1.152 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.451 2.426 -0.748 1.00 0.00 H new ATOM 991 N ILE A 62 9.418 0.489 6.485 1.00 0.00 N ATOM 992 CA ILE A 62 9.324 0.081 7.881 1.00 0.00 C ATOM 993 C ILE A 62 10.703 0.009 8.528 1.00 0.00 C ATOM 994 O ILE A 62 11.497 -0.882 8.224 1.00 0.00 O ATOM 995 CB ILE A 62 8.630 -1.286 8.023 1.00 0.00 C ATOM 996 CG1 ILE A 62 7.231 -1.240 7.406 1.00 0.00 C ATOM 997 CG2 ILE A 62 8.555 -1.693 9.487 1.00 0.00 C ATOM 998 CD1 ILE A 62 6.321 -0.215 8.047 1.00 0.00 C ATOM 0 H ILE A 62 8.725 0.060 5.872 1.00 0.00 H new ATOM 0 HA ILE A 62 8.726 0.837 8.390 1.00 0.00 H new ATOM 0 HB ILE A 62 9.218 -2.032 7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.319 -1.021 6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.772 -2.225 7.492 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.062 -2.661 9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.562 -1.762 9.897 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.987 -0.947 10.043 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.346 -0.238 7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.203 -0.445 9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.758 0.778 7.938 1.00 0.00 H new ATOM 1010 N LYS A 63 10.982 0.951 9.421 1.00 0.00 N ATOM 1011 CA LYS A 63 12.264 0.994 10.114 1.00 0.00 C ATOM 1012 C LYS A 63 12.671 -0.396 10.593 1.00 0.00 C ATOM 1013 O LYS A 63 11.876 -1.111 11.205 1.00 0.00 O ATOM 1014 CB LYS A 63 12.193 1.954 11.304 1.00 0.00 C ATOM 1015 CG LYS A 63 11.917 3.394 10.908 1.00 0.00 C ATOM 1016 CD LYS A 63 13.205 4.158 10.653 1.00 0.00 C ATOM 1017 CE LYS A 63 13.721 4.820 11.922 1.00 0.00 C ATOM 1018 NZ LYS A 63 15.061 5.439 11.720 1.00 0.00 N ATOM 0 H LYS A 63 10.337 1.696 9.683 1.00 0.00 H new ATOM 0 HA LYS A 63 13.016 1.352 9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.412 1.617 11.986 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.134 1.911 11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.298 3.413 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.350 3.887 11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.962 3.477 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.034 4.917 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.014 5.583 12.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.780 4.080 12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.377 5.879 12.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.742 4.707 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.000 6.164 10.977 1.00 0.00 H new ATOM 1032 N LYS A 64 13.913 -0.774 10.311 1.00 0.00 N ATOM 1033 CA LYS A 64 14.427 -2.077 10.715 1.00 0.00 C ATOM 1034 C LYS A 64 14.721 -2.107 12.211 1.00 0.00 C ATOM 1035 O LYS A 64 15.107 -1.095 12.798 1.00 0.00 O ATOM 1036 CB LYS A 64 15.696 -2.414 9.928 1.00 0.00 C ATOM 1037 CG LYS A 64 16.356 -3.710 10.366 1.00 0.00 C ATOM 1038 CD LYS A 64 15.632 -4.922 9.805 1.00 0.00 C ATOM 1039 CE LYS A 64 16.550 -6.132 9.722 1.00 0.00 C ATOM 1040 NZ LYS A 64 15.943 -7.235 8.928 1.00 0.00 N ATOM 0 H LYS A 64 14.583 -0.196 9.804 1.00 0.00 H new ATOM 0 HA LYS A 64 13.663 -2.824 10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.449 -2.481 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.409 -1.597 10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.395 -3.720 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.368 -3.764 11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.774 -5.158 10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.245 -4.689 8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.498 -5.839 9.271 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.773 -6.488 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.599 -8.041 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.051 -7.533 9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.754 -6.903 7.961 1.00 0.00 H new ATOM 1054 N SER A 65 14.537 -3.272 12.823 1.00 0.00 N ATOM 1055 CA SER A 65 14.781 -3.432 14.252 1.00 0.00 C ATOM 1056 C SER A 65 16.255 -3.212 14.580 1.00 0.00 C ATOM 1057 O SER A 65 17.137 -3.762 13.923 1.00 0.00 O ATOM 1058 CB SER A 65 14.347 -4.825 14.712 1.00 0.00 C ATOM 1059 OG SER A 65 13.921 -4.806 16.064 1.00 0.00 O ATOM 0 H SER A 65 14.220 -4.119 12.352 1.00 0.00 H new ATOM 0 HA SER A 65 14.193 -2.682 14.782 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.537 -5.185 14.077 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.176 -5.524 14.598 1.00 0.00 H new ATOM 0 HG SER A 65 13.647 -5.708 16.333 1.00 0.00 H new ATOM 1065 N GLY A 66 16.513 -2.402 15.602 1.00 0.00 N ATOM 1066 CA GLY A 66 17.880 -2.122 16.001 1.00 0.00 C ATOM 1067 C GLY A 66 18.139 -0.639 16.182 1.00 0.00 C ATOM 1068 O GLY A 66 17.215 0.173 16.231 1.00 0.00 O ATOM 0 H GLY A 66 15.799 -1.934 16.161 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.097 -2.642 16.934 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.563 -2.518 15.249 1.00 0.00 H new ATOM 1072 N PRO A 67 19.423 -0.268 16.287 1.00 0.00 N ATOM 1073 CA PRO A 67 19.831 1.129 16.468 1.00 0.00 C ATOM 1074 C PRO A 67 19.588 1.969 15.219 1.00 0.00 C ATOM 1075 O PRO A 67 19.249 3.149 15.309 1.00 0.00 O ATOM 1076 CB PRO A 67 21.330 1.026 16.760 1.00 0.00 C ATOM 1077 CG PRO A 67 21.753 -0.253 16.123 1.00 0.00 C ATOM 1078 CD PRO A 67 20.576 -1.182 16.238 1.00 0.00 C ATOM 0 HA PRO A 67 19.262 1.621 17.257 1.00 0.00 H new ATOM 0 HB2 PRO A 67 21.874 1.874 16.344 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.525 1.018 17.832 1.00 0.00 H new ATOM 0 HG2 PRO A 67 22.027 -0.097 15.079 1.00 0.00 H new ATOM 0 HG3 PRO A 67 22.628 -0.668 16.624 1.00 0.00 H new ATOM 0 HD2 PRO A 67 20.515 -1.860 15.387 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.638 -1.799 17.134 1.00 0.00 H new ATOM 1086 N SER A 68 19.763 1.354 14.054 1.00 0.00 N ATOM 1087 CA SER A 68 19.566 2.047 12.786 1.00 0.00 C ATOM 1088 C SER A 68 20.538 3.216 12.649 1.00 0.00 C ATOM 1089 O SER A 68 20.252 4.199 11.966 1.00 0.00 O ATOM 1090 CB SER A 68 18.126 2.551 12.674 1.00 0.00 C ATOM 1091 OG SER A 68 17.722 2.645 11.319 1.00 0.00 O ATOM 0 H SER A 68 20.041 0.377 13.962 1.00 0.00 H new ATOM 0 HA SER A 68 19.759 1.339 11.980 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.459 1.876 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.041 3.528 13.151 1.00 0.00 H new ATOM 0 HG SER A 68 16.798 2.968 11.275 1.00 0.00 H new ATOM 1097 N SER A 69 21.689 3.100 13.304 1.00 0.00 N ATOM 1098 CA SER A 69 22.702 4.147 13.259 1.00 0.00 C ATOM 1099 C SER A 69 24.012 3.612 12.688 1.00 0.00 C ATOM 1100 O SER A 69 24.168 2.409 12.486 1.00 0.00 O ATOM 1101 CB SER A 69 22.939 4.717 14.659 1.00 0.00 C ATOM 1102 OG SER A 69 21.723 5.147 15.247 1.00 0.00 O ATOM 0 H SER A 69 21.943 2.292 13.872 1.00 0.00 H new ATOM 0 HA SER A 69 22.339 4.941 12.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.404 3.959 15.290 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.635 5.554 14.601 1.00 0.00 H new ATOM 0 HG SER A 69 21.901 5.505 16.142 1.00 0.00 H new ATOM 1108 N GLY A 70 24.951 4.517 12.430 1.00 0.00 N ATOM 1109 CA GLY A 70 26.235 4.118 11.884 1.00 0.00 C ATOM 1110 C GLY A 70 26.616 4.917 10.653 1.00 0.00 C ATOM 1111 O GLY A 70 26.409 6.129 10.604 1.00 0.00 O ATOM 0 H GLY A 70 24.846 5.519 12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.004 4.242 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 70 26.205 3.058 11.630 1.00 0.00 H new TER 1115 GLY A 70