USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 711 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 16 ASN : amide:sc= -0.258 K(o=-1.5,f=-8.1!) USER MOD Set 1.2: A 17 THR OG1 : rot 51:sc= 0.0378 USER MOD Set 1.3: A 55 THR OG1 : rot 180:sc= -0.0252 USER MOD Set 1.4: A 87 GLN : amide:sc= -1.23 K(o=-1.5,f=-11!) USER MOD Set 2.1: A 25 MET CE :methyl -175:sc= -1.39 (180deg=-0.623) USER MOD Set 2.2: A 45 MET CE :methyl -137:sc= -7! (180deg=-13!) USER MOD Set 3.1: A 19 TYR OH : rot 104:sc= 0.465 USER MOD Set 3.2: A 51 CYS SG : rot 27:sc= 0.378 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= -0.0153 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0783) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.5!) USER MOD Single : A 56 TYR OH : rot -21:sc= -0.937 USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0128 (180deg=-0.179) USER MOD Single : A 59 MET CE :methyl -164:sc=-0.00212 (180deg=-0.165) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 70 ASN : amide:sc= -0.0596 K(o=-0.06,f=-0.59) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -1.4! C(o=-1.4!,f=-1.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 176:sc= 0 (180deg=-0.0348) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.497 43.252 12.484 1.00 0.00 N ATOM 2 CA GLY A 1 0.750 43.536 11.798 1.00 0.00 C ATOM 3 C GLY A 1 1.686 42.343 11.779 1.00 0.00 C ATOM 4 O GLY A 1 1.890 41.690 12.803 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.102 44.098 12.470 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.986 42.469 12.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.298 42.985 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.536 43.843 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.246 44.375 12.285 1.00 0.00 H new ATOM 8 N SER A 2 2.254 42.057 10.612 1.00 0.00 N ATOM 9 CA SER A 2 3.169 40.931 10.463 1.00 0.00 C ATOM 10 C SER A 2 4.441 41.357 9.737 1.00 0.00 C ATOM 11 O SER A 2 4.386 42.024 8.704 1.00 0.00 O ATOM 12 CB SER A 2 2.490 39.792 9.700 1.00 0.00 C ATOM 13 OG SER A 2 1.440 39.223 10.462 1.00 0.00 O ATOM 0 H SER A 2 2.097 42.589 9.756 1.00 0.00 H new ATOM 0 HA SER A 2 3.440 40.581 11.459 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.096 40.167 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.225 39.024 9.457 1.00 0.00 H new ATOM 0 HG SER A 2 1.021 38.499 9.952 1.00 0.00 H new ATOM 19 N SER A 3 5.587 40.967 10.286 1.00 0.00 N ATOM 20 CA SER A 3 6.875 41.311 9.694 1.00 0.00 C ATOM 21 C SER A 3 6.925 40.899 8.226 1.00 0.00 C ATOM 22 O SER A 3 7.293 41.691 7.359 1.00 0.00 O ATOM 23 CB SER A 3 8.011 40.635 10.464 1.00 0.00 C ATOM 24 OG SER A 3 7.808 39.235 10.549 1.00 0.00 O ATOM 0 H SER A 3 5.650 40.413 11.140 1.00 0.00 H new ATOM 0 HA SER A 3 6.998 42.392 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.961 40.838 9.970 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.077 41.058 11.467 1.00 0.00 H new ATOM 0 HG SER A 3 8.549 38.827 11.044 1.00 0.00 H new ATOM 30 N GLY A 4 6.551 39.652 7.954 1.00 0.00 N ATOM 31 CA GLY A 4 6.561 39.155 6.591 1.00 0.00 C ATOM 32 C GLY A 4 6.232 37.677 6.510 1.00 0.00 C ATOM 33 O GLY A 4 7.065 36.871 6.097 1.00 0.00 O ATOM 0 H GLY A 4 6.241 38.977 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.840 39.717 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.543 39.330 6.151 1.00 0.00 H new ATOM 37 N SER A 5 5.015 37.321 6.907 1.00 0.00 N ATOM 38 CA SER A 5 4.580 35.929 6.883 1.00 0.00 C ATOM 39 C SER A 5 3.677 35.663 5.682 1.00 0.00 C ATOM 40 O SER A 5 2.546 36.144 5.623 1.00 0.00 O ATOM 41 CB SER A 5 3.842 35.581 8.177 1.00 0.00 C ATOM 42 OG SER A 5 4.723 35.598 9.287 1.00 0.00 O ATOM 0 H SER A 5 4.313 37.977 7.249 1.00 0.00 H new ATOM 0 HA SER A 5 5.465 35.299 6.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.033 36.292 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.386 34.595 8.086 1.00 0.00 H new ATOM 0 HG SER A 5 4.227 35.374 10.102 1.00 0.00 H new ATOM 48 N SER A 6 4.186 34.893 4.726 1.00 0.00 N ATOM 49 CA SER A 6 3.429 34.565 3.524 1.00 0.00 C ATOM 50 C SER A 6 4.131 33.474 2.720 1.00 0.00 C ATOM 51 O SER A 6 5.236 33.672 2.217 1.00 0.00 O ATOM 52 CB SER A 6 3.241 35.812 2.657 1.00 0.00 C ATOM 53 OG SER A 6 2.167 35.645 1.749 1.00 0.00 O ATOM 0 H SER A 6 5.120 34.484 4.761 1.00 0.00 H new ATOM 0 HA SER A 6 2.451 34.194 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.052 36.676 3.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.159 36.017 2.106 1.00 0.00 H new ATOM 0 HG SER A 6 2.067 36.456 1.208 1.00 0.00 H new ATOM 59 N GLY A 7 3.480 32.321 2.604 1.00 0.00 N ATOM 60 CA GLY A 7 4.056 31.215 1.861 1.00 0.00 C ATOM 61 C GLY A 7 3.829 29.879 2.541 1.00 0.00 C ATOM 62 O GLY A 7 4.235 29.682 3.686 1.00 0.00 O ATOM 0 H GLY A 7 2.564 32.133 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.623 31.188 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.127 31.381 1.741 1.00 0.00 H new ATOM 66 N GLU A 8 3.177 28.961 1.835 1.00 0.00 N ATOM 67 CA GLU A 8 2.896 27.638 2.380 1.00 0.00 C ATOM 68 C GLU A 8 4.163 26.999 2.940 1.00 0.00 C ATOM 69 O GLU A 8 4.200 26.576 4.096 1.00 0.00 O ATOM 70 CB GLU A 8 2.290 26.736 1.302 1.00 0.00 C ATOM 71 CG GLU A 8 1.446 25.603 1.860 1.00 0.00 C ATOM 72 CD GLU A 8 0.774 24.786 0.773 1.00 0.00 C ATOM 73 OE1 GLU A 8 1.492 24.245 -0.093 1.00 0.00 O ATOM 74 OE2 GLU A 8 -0.471 24.689 0.790 1.00 0.00 O ATOM 0 H GLU A 8 2.834 29.109 0.886 1.00 0.00 H new ATOM 0 HA GLU A 8 2.179 27.753 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.675 27.342 0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.094 26.315 0.698 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.075 24.949 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.685 26.014 2.523 1.00 0.00 H new ATOM 81 N ARG A 9 5.201 26.931 2.112 1.00 0.00 N ATOM 82 CA ARG A 9 6.469 26.343 2.522 1.00 0.00 C ATOM 83 C ARG A 9 6.291 24.875 2.900 1.00 0.00 C ATOM 84 O ARG A 9 6.900 24.391 3.854 1.00 0.00 O ATOM 85 CB ARG A 9 7.056 27.117 3.704 1.00 0.00 C ATOM 86 CG ARG A 9 7.423 28.553 3.369 1.00 0.00 C ATOM 87 CD ARG A 9 7.753 29.350 4.622 1.00 0.00 C ATOM 88 NE ARG A 9 9.093 29.054 5.122 1.00 0.00 N ATOM 89 CZ ARG A 9 10.207 29.468 4.529 1.00 0.00 C ATOM 90 NH1 ARG A 9 10.142 30.193 3.421 1.00 0.00 N ATOM 91 NH2 ARG A 9 11.390 29.158 5.045 1.00 0.00 N ATOM 0 H ARG A 9 5.188 27.277 1.152 1.00 0.00 H new ATOM 0 HA ARG A 9 7.158 26.403 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.335 27.116 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.945 26.598 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.279 28.563 2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.596 29.028 2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.674 30.415 4.405 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.020 29.127 5.397 1.00 0.00 H new ATOM 0 HE ARG A 9 9.178 28.499 5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.235 30.434 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.999 30.510 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.444 28.601 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.245 29.477 4.589 1.00 0.00 H new ATOM 105 N ARG A 10 5.452 24.173 2.146 1.00 0.00 N ATOM 106 CA ARG A 10 5.191 22.762 2.402 1.00 0.00 C ATOM 107 C ARG A 10 5.574 21.910 1.195 1.00 0.00 C ATOM 108 O ARG A 10 4.893 21.927 0.171 1.00 0.00 O ATOM 109 CB ARG A 10 3.716 22.547 2.744 1.00 0.00 C ATOM 110 CG ARG A 10 3.463 21.324 3.611 1.00 0.00 C ATOM 111 CD ARG A 10 2.166 21.455 4.395 1.00 0.00 C ATOM 112 NE ARG A 10 1.002 21.099 3.589 1.00 0.00 N ATOM 113 CZ ARG A 10 -0.229 21.529 3.845 1.00 0.00 C ATOM 114 NH1 ARG A 10 -0.454 22.327 4.881 1.00 0.00 N ATOM 115 NH2 ARG A 10 -1.237 21.161 3.066 1.00 0.00 N ATOM 0 H ARG A 10 4.941 24.559 1.352 1.00 0.00 H new ATOM 0 HA ARG A 10 5.802 22.454 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.339 23.431 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.148 22.450 1.819 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.422 20.434 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.295 21.188 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.208 20.813 5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.060 22.479 4.752 1.00 0.00 H new ATOM 0 HE ARG A 10 1.141 20.487 2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.319 22.612 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.400 22.656 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.068 20.547 2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.181 21.492 3.264 1.00 0.00 H new ATOM 129 N ALA A 11 6.668 21.167 1.325 1.00 0.00 N ATOM 130 CA ALA A 11 7.140 20.308 0.246 1.00 0.00 C ATOM 131 C ALA A 11 5.984 19.552 -0.400 1.00 0.00 C ATOM 132 O ALA A 11 5.032 19.140 0.264 1.00 0.00 O ATOM 133 CB ALA A 11 8.186 19.333 0.767 1.00 0.00 C ATOM 0 H ALA A 11 7.244 21.143 2.167 1.00 0.00 H new ATOM 0 HA ALA A 11 7.596 20.940 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.530 18.698 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.030 19.889 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.748 18.713 1.549 1.00 0.00 H new ATOM 139 N PRO A 12 6.066 19.364 -1.725 1.00 0.00 N ATOM 140 CA PRO A 12 5.034 18.656 -2.489 1.00 0.00 C ATOM 141 C PRO A 12 5.006 17.163 -2.180 1.00 0.00 C ATOM 142 O PRO A 12 5.768 16.386 -2.756 1.00 0.00 O ATOM 143 CB PRO A 12 5.445 18.894 -3.944 1.00 0.00 C ATOM 144 CG PRO A 12 6.914 19.133 -3.889 1.00 0.00 C ATOM 145 CD PRO A 12 7.171 19.827 -2.580 1.00 0.00 C ATOM 0 HA PRO A 12 4.032 19.014 -2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.207 18.033 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.920 19.750 -4.369 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.465 18.194 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.241 19.748 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.141 19.555 -2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.165 20.911 -2.692 1.00 0.00 H new ATOM 153 N ARG A 13 4.123 16.769 -1.269 1.00 0.00 N ATOM 154 CA ARG A 13 3.996 15.368 -0.884 1.00 0.00 C ATOM 155 C ARG A 13 4.075 14.459 -2.106 1.00 0.00 C ATOM 156 O ARG A 13 3.296 14.599 -3.050 1.00 0.00 O ATOM 157 CB ARG A 13 2.676 15.137 -0.147 1.00 0.00 C ATOM 158 CG ARG A 13 2.738 14.015 0.877 1.00 0.00 C ATOM 159 CD ARG A 13 3.563 14.413 2.091 1.00 0.00 C ATOM 160 NE ARG A 13 2.927 15.480 2.858 1.00 0.00 N ATOM 161 CZ ARG A 13 3.125 16.772 2.624 1.00 0.00 C ATOM 162 NH1 ARG A 13 3.936 17.156 1.648 1.00 0.00 N ATOM 163 NH2 ARG A 13 2.510 17.684 3.366 1.00 0.00 N ATOM 0 H ARG A 13 3.485 17.400 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 13 4.823 15.124 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.384 16.059 0.355 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.898 14.910 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.728 13.753 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.170 13.126 0.418 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.708 13.543 2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.551 14.739 1.767 1.00 0.00 H new ATOM 0 HE ARG A 13 2.296 15.219 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.410 16.458 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.086 18.149 1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.884 17.393 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.663 18.676 3.185 1.00 0.00 H new ATOM 177 N LYS A 14 5.020 13.526 -2.084 1.00 0.00 N ATOM 178 CA LYS A 14 5.201 12.592 -3.189 1.00 0.00 C ATOM 179 C LYS A 14 4.835 11.172 -2.767 1.00 0.00 C ATOM 180 O LYS A 14 4.076 10.488 -3.451 1.00 0.00 O ATOM 181 CB LYS A 14 6.648 12.631 -3.685 1.00 0.00 C ATOM 182 CG LYS A 14 7.673 12.374 -2.593 1.00 0.00 C ATOM 183 CD LYS A 14 9.090 12.587 -3.097 1.00 0.00 C ATOM 184 CE LYS A 14 9.507 11.492 -4.066 1.00 0.00 C ATOM 185 NZ LYS A 14 10.103 10.323 -3.360 1.00 0.00 N ATOM 0 H LYS A 14 5.674 13.396 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 14 4.537 12.894 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.774 11.887 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.843 13.605 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.482 13.038 -1.750 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.566 11.353 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.160 13.557 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.778 12.608 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.640 11.166 -4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.229 11.893 -4.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.233 9.541 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.024 10.592 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.468 10.019 -2.595 1.00 0.00 H new ATOM 199 N GLY A 15 5.380 10.737 -1.635 1.00 0.00 N ATOM 200 CA GLY A 15 5.097 9.402 -1.142 1.00 0.00 C ATOM 201 C GLY A 15 5.797 8.325 -1.948 1.00 0.00 C ATOM 202 O GLY A 15 5.500 8.130 -3.125 1.00 0.00 O ATOM 0 H GLY A 15 6.012 11.285 -1.051 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.407 9.330 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.021 9.229 -1.168 1.00 0.00 H new ATOM 206 N ASN A 16 6.731 7.626 -1.312 1.00 0.00 N ATOM 207 CA ASN A 16 7.478 6.565 -1.979 1.00 0.00 C ATOM 208 C ASN A 16 7.257 5.225 -1.283 1.00 0.00 C ATOM 209 O ASN A 16 7.134 4.187 -1.934 1.00 0.00 O ATOM 210 CB ASN A 16 8.970 6.900 -2.003 1.00 0.00 C ATOM 211 CG ASN A 16 9.595 6.856 -0.622 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.951 7.186 0.374 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.857 6.448 -0.556 1.00 0.00 N ATOM 0 H ASN A 16 6.989 7.775 -0.336 1.00 0.00 H new ATOM 0 HA ASN A 16 7.114 6.487 -3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.487 6.196 -2.655 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.110 7.893 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.331 6.399 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.353 6.184 -1.407 1.00 0.00 H new ATOM 220 N THR A 17 7.208 5.255 0.045 1.00 0.00 N ATOM 221 CA THR A 17 7.003 4.044 0.830 1.00 0.00 C ATOM 222 C THR A 17 5.520 3.710 0.948 1.00 0.00 C ATOM 223 O THR A 17 4.667 4.597 0.900 1.00 0.00 O ATOM 224 CB THR A 17 7.600 4.183 2.243 1.00 0.00 C ATOM 225 OG1 THR A 17 8.848 4.882 2.181 1.00 0.00 O ATOM 226 CG2 THR A 17 7.810 2.816 2.878 1.00 0.00 C ATOM 0 H THR A 17 7.308 6.105 0.600 1.00 0.00 H new ATOM 0 HA THR A 17 7.514 3.237 0.305 1.00 0.00 H new ATOM 0 HB THR A 17 6.898 4.748 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.731 5.716 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.232 2.939 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.854 2.298 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.494 2.231 2.264 1.00 0.00 H new ATOM 234 N LEU A 18 5.219 2.425 1.103 1.00 0.00 N ATOM 235 CA LEU A 18 3.838 1.973 1.229 1.00 0.00 C ATOM 236 C LEU A 18 3.708 0.916 2.321 1.00 0.00 C ATOM 237 O LEU A 18 4.415 -0.093 2.310 1.00 0.00 O ATOM 238 CB LEU A 18 3.341 1.410 -0.104 1.00 0.00 C ATOM 239 CG LEU A 18 3.778 2.169 -1.357 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.403 1.392 -2.610 1.00 0.00 C ATOM 241 CD2 LEU A 18 3.156 3.558 -1.383 1.00 0.00 C ATOM 0 H LEU A 18 5.913 1.678 1.144 1.00 0.00 H new ATOM 0 HA LEU A 18 3.225 2.831 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.683 0.379 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.252 1.383 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 18 4.862 2.278 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.722 1.948 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.895 0.420 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.323 1.251 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.478 4.084 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.070 3.470 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.475 4.116 -0.502 1.00 0.00 H new ATOM 253 N TYR A 19 2.800 1.152 3.261 1.00 0.00 N ATOM 254 CA TYR A 19 2.577 0.220 4.360 1.00 0.00 C ATOM 255 C TYR A 19 1.683 -0.936 3.922 1.00 0.00 C ATOM 256 O TYR A 19 0.533 -0.734 3.532 1.00 0.00 O ATOM 257 CB TYR A 19 1.947 0.944 5.550 1.00 0.00 C ATOM 258 CG TYR A 19 2.022 0.164 6.843 1.00 0.00 C ATOM 259 CD1 TYR A 19 1.029 -0.744 7.189 1.00 0.00 C ATOM 260 CD2 TYR A 19 3.088 0.334 7.719 1.00 0.00 C ATOM 261 CE1 TYR A 19 1.094 -1.459 8.369 1.00 0.00 C ATOM 262 CE2 TYR A 19 3.161 -0.378 8.901 1.00 0.00 C ATOM 263 CZ TYR A 19 2.162 -1.272 9.222 1.00 0.00 C ATOM 264 OH TYR A 19 2.230 -1.983 10.398 1.00 0.00 O ATOM 0 H TYR A 19 2.206 1.981 3.284 1.00 0.00 H new ATOM 0 HA TYR A 19 3.543 -0.186 4.660 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.445 1.904 5.685 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.902 1.156 5.324 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.192 -0.893 6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.872 1.034 7.472 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.313 -2.161 8.622 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.997 -0.235 9.570 1.00 0.00 H new ATOM 0 HH TYR A 19 2.884 -2.707 10.305 1.00 0.00 H new ATOM 274 N VAL A 20 2.221 -2.150 3.989 1.00 0.00 N ATOM 275 CA VAL A 20 1.473 -3.340 3.602 1.00 0.00 C ATOM 276 C VAL A 20 1.217 -4.243 4.803 1.00 0.00 C ATOM 277 O VAL A 20 2.070 -4.385 5.680 1.00 0.00 O ATOM 278 CB VAL A 20 2.218 -4.143 2.519 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.285 -5.151 1.865 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.817 -3.207 1.480 1.00 0.00 C ATOM 0 H VAL A 20 3.172 -2.335 4.308 1.00 0.00 H new ATOM 0 HA VAL A 20 0.520 -2.998 3.199 1.00 0.00 H new ATOM 0 HB VAL A 20 3.032 -4.692 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.829 -5.709 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.908 -5.841 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.449 -4.626 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.340 -3.791 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.022 -2.630 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.520 -2.528 1.964 1.00 0.00 H new ATOM 290 N TYR A 21 0.038 -4.854 4.836 1.00 0.00 N ATOM 291 CA TYR A 21 -0.332 -5.743 5.931 1.00 0.00 C ATOM 292 C TYR A 21 -0.937 -7.039 5.400 1.00 0.00 C ATOM 293 O TYR A 21 -1.906 -7.019 4.642 1.00 0.00 O ATOM 294 CB TYR A 21 -1.323 -5.049 6.866 1.00 0.00 C ATOM 295 CG TYR A 21 -1.962 -5.982 7.871 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.035 -6.789 7.515 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.492 -6.055 9.177 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.622 -7.642 8.429 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.072 -6.906 10.098 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.137 -7.697 9.719 1.00 0.00 C ATOM 301 OH TYR A 21 -3.718 -8.545 10.634 1.00 0.00 O ATOM 0 H TYR A 21 -0.678 -4.750 4.117 1.00 0.00 H new ATOM 0 HA TYR A 21 0.572 -5.988 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.808 -4.251 7.400 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.105 -4.580 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.417 -6.749 6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.659 -5.436 9.477 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.456 -8.262 8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.694 -6.952 11.109 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.257 -8.463 11.495 1.00 0.00 H new ATOM 311 N GLY A 22 -0.358 -8.165 5.804 1.00 0.00 N ATOM 312 CA GLY A 22 -0.852 -9.455 5.361 1.00 0.00 C ATOM 313 C GLY A 22 -0.870 -10.483 6.474 1.00 0.00 C ATOM 314 O GLY A 22 -0.571 -10.166 7.625 1.00 0.00 O ATOM 0 H GLY A 22 0.445 -8.207 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.860 -9.337 4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.228 -9.819 4.545 1.00 0.00 H new ATOM 318 N GLU A 23 -1.224 -11.718 6.132 1.00 0.00 N ATOM 319 CA GLU A 23 -1.281 -12.795 7.113 1.00 0.00 C ATOM 320 C GLU A 23 -0.555 -14.036 6.602 1.00 0.00 C ATOM 321 O GLU A 23 0.174 -14.693 7.345 1.00 0.00 O ATOM 322 CB GLU A 23 -2.736 -13.140 7.439 1.00 0.00 C ATOM 323 CG GLU A 23 -3.638 -13.192 6.218 1.00 0.00 C ATOM 324 CD GLU A 23 -5.106 -13.307 6.581 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.440 -14.154 7.436 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.920 -12.551 6.011 1.00 0.00 O ATOM 0 H GLU A 23 -1.475 -11.997 5.184 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.783 -12.452 8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.767 -14.105 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.128 -12.401 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.485 -12.294 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.354 -14.041 5.597 1.00 0.00 H new ATOM 333 N ASP A 24 -0.761 -14.352 5.328 1.00 0.00 N ATOM 334 CA ASP A 24 -0.127 -15.514 4.716 1.00 0.00 C ATOM 335 C ASP A 24 0.698 -15.105 3.499 1.00 0.00 C ATOM 336 O ASP A 24 0.653 -15.760 2.458 1.00 0.00 O ATOM 337 CB ASP A 24 -1.182 -16.543 4.310 1.00 0.00 C ATOM 338 CG ASP A 24 -1.712 -17.327 5.494 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.274 -16.700 6.416 1.00 0.00 O ATOM 340 OD2 ASP A 24 -1.565 -18.567 5.499 1.00 0.00 O ATOM 0 H ASP A 24 -1.362 -13.820 4.699 1.00 0.00 H new ATOM 0 HA ASP A 24 0.541 -15.962 5.452 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.009 -16.035 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.752 -17.233 3.584 1.00 0.00 H new ATOM 345 N MET A 25 1.448 -14.016 3.637 1.00 0.00 N ATOM 346 CA MET A 25 2.282 -13.520 2.549 1.00 0.00 C ATOM 347 C MET A 25 3.754 -13.519 2.949 1.00 0.00 C ATOM 348 O MET A 25 4.088 -13.396 4.128 1.00 0.00 O ATOM 349 CB MET A 25 1.849 -12.108 2.149 1.00 0.00 C ATOM 350 CG MET A 25 1.264 -11.303 3.299 1.00 0.00 C ATOM 351 SD MET A 25 2.452 -11.026 4.627 1.00 0.00 S ATOM 352 CE MET A 25 2.721 -9.261 4.476 1.00 0.00 C ATOM 0 H MET A 25 1.495 -13.461 4.491 1.00 0.00 H new ATOM 0 HA MET A 25 2.156 -14.186 1.696 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.708 -11.575 1.743 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.110 -12.176 1.351 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.914 -10.342 2.923 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.394 -11.825 3.698 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.500 -8.951 5.172 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.030 -9.026 3.457 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.797 -8.731 4.706 1.00 0.00 H new ATOM 362 N THR A 26 4.631 -13.659 1.960 1.00 0.00 N ATOM 363 CA THR A 26 6.067 -13.676 2.209 1.00 0.00 C ATOM 364 C THR A 26 6.774 -12.572 1.430 1.00 0.00 C ATOM 365 O THR A 26 6.268 -12.065 0.428 1.00 0.00 O ATOM 366 CB THR A 26 6.687 -15.034 1.830 1.00 0.00 C ATOM 367 OG1 THR A 26 6.124 -15.503 0.600 1.00 0.00 O ATOM 368 CG2 THR A 26 6.451 -16.061 2.927 1.00 0.00 C ATOM 0 H THR A 26 4.372 -13.762 0.979 1.00 0.00 H new ATOM 0 HA THR A 26 6.204 -13.508 3.277 1.00 0.00 H new ATOM 0 HB THR A 26 7.761 -14.897 1.708 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.525 -16.366 0.365 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.898 -17.012 2.637 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.906 -15.714 3.854 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.380 -16.194 3.077 1.00 0.00 H new ATOM 376 N PRO A 27 7.972 -12.191 1.897 1.00 0.00 N ATOM 377 CA PRO A 27 8.774 -11.144 1.257 1.00 0.00 C ATOM 378 C PRO A 27 8.885 -11.339 -0.251 1.00 0.00 C ATOM 379 O PRO A 27 8.549 -10.446 -1.030 1.00 0.00 O ATOM 380 CB PRO A 27 10.146 -11.295 1.918 1.00 0.00 C ATOM 381 CG PRO A 27 9.862 -11.907 3.246 1.00 0.00 C ATOM 382 CD PRO A 27 8.636 -12.752 3.085 1.00 0.00 C ATOM 0 HA PRO A 27 8.331 -10.156 1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.804 -11.928 1.323 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.642 -10.330 2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.705 -12.511 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.703 -11.136 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.891 -13.802 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.995 -12.697 3.965 1.00 0.00 H new ATOM 390 N THR A 28 9.358 -12.513 -0.658 1.00 0.00 N ATOM 391 CA THR A 28 9.514 -12.825 -2.073 1.00 0.00 C ATOM 392 C THR A 28 8.188 -12.698 -2.814 1.00 0.00 C ATOM 393 O THR A 28 8.156 -12.366 -4.000 1.00 0.00 O ATOM 394 CB THR A 28 10.068 -14.248 -2.277 1.00 0.00 C ATOM 395 OG1 THR A 28 11.366 -14.358 -1.682 1.00 0.00 O ATOM 396 CG2 THR A 28 10.153 -14.589 -3.757 1.00 0.00 C ATOM 0 H THR A 28 9.640 -13.263 -0.027 1.00 0.00 H new ATOM 0 HA THR A 28 10.224 -12.104 -2.478 1.00 0.00 H new ATOM 0 HB THR A 28 9.387 -14.951 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.711 -15.266 -1.814 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.547 -15.598 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.159 -14.533 -4.201 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.814 -13.881 -4.256 1.00 0.00 H new ATOM 404 N LEU A 29 7.094 -12.963 -2.108 1.00 0.00 N ATOM 405 CA LEU A 29 5.763 -12.877 -2.699 1.00 0.00 C ATOM 406 C LEU A 29 5.432 -11.440 -3.090 1.00 0.00 C ATOM 407 O LEU A 29 4.964 -11.179 -4.199 1.00 0.00 O ATOM 408 CB LEU A 29 4.713 -13.406 -1.720 1.00 0.00 C ATOM 409 CG LEU A 29 3.362 -13.787 -2.325 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.591 -14.696 -1.380 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.552 -12.541 -2.649 1.00 0.00 C ATOM 0 H LEU A 29 7.102 -13.239 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 29 5.753 -13.491 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.123 -14.282 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.545 -12.648 -0.955 1.00 0.00 H new ATOM 0 HG LEU A 29 3.541 -14.330 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.632 -14.957 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.166 -15.604 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.422 -14.179 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.593 -12.832 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.382 -11.970 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.099 -11.927 -3.364 1.00 0.00 H new ATOM 423 N LEU A 30 5.680 -10.511 -2.173 1.00 0.00 N ATOM 424 CA LEU A 30 5.411 -9.100 -2.423 1.00 0.00 C ATOM 425 C LEU A 30 6.287 -8.570 -3.554 1.00 0.00 C ATOM 426 O LEU A 30 5.891 -7.661 -4.285 1.00 0.00 O ATOM 427 CB LEU A 30 5.650 -8.282 -1.152 1.00 0.00 C ATOM 428 CG LEU A 30 5.150 -8.907 0.151 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.382 -7.962 1.320 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.675 -9.267 0.039 1.00 0.00 C ATOM 0 H LEU A 30 6.067 -10.710 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 30 4.367 -9.002 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.720 -8.100 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.171 -7.311 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 30 5.714 -9.822 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.020 -8.424 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.448 -7.754 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.845 -7.030 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.337 -9.710 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.095 -8.367 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.535 -9.982 -0.772 1.00 0.00 H new ATOM 442 N ARG A 31 7.477 -9.145 -3.693 1.00 0.00 N ATOM 443 CA ARG A 31 8.408 -8.731 -4.735 1.00 0.00 C ATOM 444 C ARG A 31 7.761 -8.833 -6.114 1.00 0.00 C ATOM 445 O ARG A 31 7.942 -7.961 -6.962 1.00 0.00 O ATOM 446 CB ARG A 31 9.673 -9.590 -4.689 1.00 0.00 C ATOM 447 CG ARG A 31 10.728 -9.069 -3.726 1.00 0.00 C ATOM 448 CD ARG A 31 12.130 -9.450 -4.176 1.00 0.00 C ATOM 449 NE ARG A 31 12.568 -8.664 -5.326 1.00 0.00 N ATOM 450 CZ ARG A 31 13.776 -8.767 -5.870 1.00 0.00 C ATOM 451 NH1 ARG A 31 14.660 -9.619 -5.371 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.100 -8.017 -6.915 1.00 0.00 N ATOM 0 H ARG A 31 7.819 -9.899 -3.097 1.00 0.00 H new ATOM 0 HA ARG A 31 8.677 -7.690 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.402 -10.606 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.102 -9.644 -5.690 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.651 -7.984 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.543 -9.470 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.827 -9.305 -3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.154 -10.510 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 31 11.911 -7.999 -5.734 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.414 -10.197 -4.568 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.587 -9.696 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.422 -7.361 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.027 -8.097 -7.332 1.00 0.00 H new ATOM 466 N GLY A 32 7.007 -9.907 -6.330 1.00 0.00 N ATOM 467 CA GLY A 32 6.345 -10.104 -7.606 1.00 0.00 C ATOM 468 C GLY A 32 4.938 -9.542 -7.623 1.00 0.00 C ATOM 469 O GLY A 32 4.279 -9.530 -8.663 1.00 0.00 O ATOM 0 H GLY A 32 6.843 -10.644 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.932 -9.630 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.310 -11.170 -7.833 1.00 0.00 H new ATOM 473 N ALA A 33 4.474 -9.076 -6.468 1.00 0.00 N ATOM 474 CA ALA A 33 3.136 -8.510 -6.354 1.00 0.00 C ATOM 475 C ALA A 33 3.162 -6.997 -6.542 1.00 0.00 C ATOM 476 O ALA A 33 2.222 -6.412 -7.080 1.00 0.00 O ATOM 477 CB ALA A 33 2.525 -8.865 -5.007 1.00 0.00 C ATOM 0 H ALA A 33 5.006 -9.080 -5.598 1.00 0.00 H new ATOM 0 HA ALA A 33 2.519 -8.938 -7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.526 -8.435 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.462 -9.949 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.149 -8.465 -4.208 1.00 0.00 H new ATOM 483 N PHE A 34 4.244 -6.368 -6.095 1.00 0.00 N ATOM 484 CA PHE A 34 4.392 -4.922 -6.213 1.00 0.00 C ATOM 485 C PHE A 34 5.195 -4.557 -7.458 1.00 0.00 C ATOM 486 O PHE A 34 5.006 -3.490 -8.041 1.00 0.00 O ATOM 487 CB PHE A 34 5.075 -4.355 -4.967 1.00 0.00 C ATOM 488 CG PHE A 34 4.174 -4.288 -3.767 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.812 -5.442 -3.091 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.688 -3.072 -3.315 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.982 -5.384 -1.987 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.858 -3.007 -2.211 1.00 0.00 C ATOM 493 CZ PHE A 34 2.506 -4.165 -1.546 1.00 0.00 C ATOM 0 H PHE A 34 5.031 -6.837 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 34 3.397 -4.486 -6.304 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.942 -4.970 -4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.446 -3.354 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.183 -6.398 -3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.961 -2.163 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.706 -6.291 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.486 -2.052 -1.869 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.859 -4.117 -0.682 1.00 0.00 H new ATOM 503 N SER A 35 6.093 -5.451 -7.859 1.00 0.00 N ATOM 504 CA SER A 35 6.929 -5.222 -9.031 1.00 0.00 C ATOM 505 C SER A 35 6.079 -4.831 -10.236 1.00 0.00 C ATOM 506 O SER A 35 6.387 -3.887 -10.965 1.00 0.00 O ATOM 507 CB SER A 35 7.745 -6.475 -9.354 1.00 0.00 C ATOM 508 OG SER A 35 7.951 -6.604 -10.750 1.00 0.00 O ATOM 0 H SER A 35 6.260 -6.341 -7.389 1.00 0.00 H new ATOM 0 HA SER A 35 7.610 -4.401 -8.806 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.707 -6.427 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.228 -7.357 -8.977 1.00 0.00 H new ATOM 0 HG SER A 35 8.476 -7.412 -10.930 1.00 0.00 H new ATOM 514 N PRO A 36 4.983 -5.572 -10.452 1.00 0.00 N ATOM 515 CA PRO A 36 4.065 -5.322 -11.567 1.00 0.00 C ATOM 516 C PRO A 36 3.681 -3.851 -11.683 1.00 0.00 C ATOM 517 O PRO A 36 3.245 -3.394 -12.740 1.00 0.00 O ATOM 518 CB PRO A 36 2.839 -6.168 -11.214 1.00 0.00 C ATOM 519 CG PRO A 36 3.369 -7.263 -10.355 1.00 0.00 C ATOM 520 CD PRO A 36 4.555 -6.712 -9.624 1.00 0.00 C ATOM 0 HA PRO A 36 4.513 -5.576 -12.528 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.090 -5.578 -10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.360 -6.564 -12.110 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.608 -7.605 -9.653 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.655 -8.124 -10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.291 -6.396 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.346 -7.456 -9.528 1.00 0.00 H new ATOM 528 N PHE A 37 3.847 -3.113 -10.591 1.00 0.00 N ATOM 529 CA PHE A 37 3.518 -1.692 -10.570 1.00 0.00 C ATOM 530 C PHE A 37 4.735 -0.846 -10.933 1.00 0.00 C ATOM 531 O PHE A 37 4.613 0.188 -11.588 1.00 0.00 O ATOM 532 CB PHE A 37 2.995 -1.288 -9.190 1.00 0.00 C ATOM 533 CG PHE A 37 1.636 -1.847 -8.877 1.00 0.00 C ATOM 534 CD1 PHE A 37 1.500 -3.132 -8.376 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.496 -1.088 -9.084 1.00 0.00 C ATOM 536 CE1 PHE A 37 0.252 -3.649 -8.086 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.755 -1.600 -8.795 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.878 -2.883 -8.297 1.00 0.00 C ATOM 0 H PHE A 37 4.208 -3.475 -9.708 1.00 0.00 H new ATOM 0 HA PHE A 37 2.740 -1.514 -11.312 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.701 -1.623 -8.430 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.955 -0.200 -9.130 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.380 -3.736 -8.210 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.586 -0.085 -9.475 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.160 -4.651 -7.695 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.636 -0.997 -8.958 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.855 -3.286 -8.073 1.00 0.00 H new ATOM 548 N GLY A 38 5.910 -1.295 -10.501 1.00 0.00 N ATOM 549 CA GLY A 38 7.132 -0.568 -10.788 1.00 0.00 C ATOM 550 C GLY A 38 8.370 -1.308 -10.322 1.00 0.00 C ATOM 551 O GLY A 38 8.483 -2.519 -10.505 1.00 0.00 O ATOM 0 H GLY A 38 6.037 -2.149 -9.958 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.201 -0.390 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.092 0.408 -10.305 1.00 0.00 H new ATOM 555 N ASN A 39 9.303 -0.577 -9.720 1.00 0.00 N ATOM 556 CA ASN A 39 10.541 -1.172 -9.228 1.00 0.00 C ATOM 557 C ASN A 39 10.653 -1.021 -7.714 1.00 0.00 C ATOM 558 O ASN A 39 10.607 0.091 -7.187 1.00 0.00 O ATOM 559 CB ASN A 39 11.748 -0.524 -9.908 1.00 0.00 C ATOM 560 CG ASN A 39 13.058 -1.169 -9.499 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.196 -2.392 -9.526 1.00 0.00 O ATOM 562 ND2 ASN A 39 14.028 -0.347 -9.116 1.00 0.00 N ATOM 0 H ASN A 39 9.226 0.428 -9.561 1.00 0.00 H new ATOM 0 HA ASN A 39 10.525 -2.235 -9.469 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.633 -0.595 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.775 0.537 -9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.932 -0.723 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.870 0.661 -9.109 1.00 0.00 H new ATOM 569 N ILE A 40 10.802 -2.145 -7.022 1.00 0.00 N ATOM 570 CA ILE A 40 10.924 -2.137 -5.570 1.00 0.00 C ATOM 571 C ILE A 40 12.362 -1.870 -5.139 1.00 0.00 C ATOM 572 O ILE A 40 13.223 -2.745 -5.241 1.00 0.00 O ATOM 573 CB ILE A 40 10.455 -3.471 -4.958 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.024 -3.785 -5.399 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.548 -3.419 -3.440 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.627 -5.228 -5.180 1.00 0.00 C ATOM 0 H ILE A 40 10.841 -3.073 -7.444 1.00 0.00 H new ATOM 0 HA ILE A 40 10.284 -1.334 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 40 11.108 -4.267 -5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.335 -3.140 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.917 -3.544 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.213 -4.368 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.581 -3.237 -3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.916 -2.614 -3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.601 -5.378 -5.515 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.293 -5.879 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.701 -5.469 -4.120 1.00 0.00 H new ATOM 588 N ILE A 41 12.615 -0.658 -4.657 1.00 0.00 N ATOM 589 CA ILE A 41 13.948 -0.278 -4.208 1.00 0.00 C ATOM 590 C ILE A 41 14.131 -0.567 -2.722 1.00 0.00 C ATOM 591 O ILE A 41 15.255 -0.608 -2.221 1.00 0.00 O ATOM 592 CB ILE A 41 14.225 1.215 -4.468 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.002 2.055 -4.097 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.605 1.437 -5.924 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.280 3.541 -4.051 1.00 0.00 C ATOM 0 H ILE A 41 11.914 0.078 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 41 14.657 -0.876 -4.781 1.00 0.00 H new ATOM 0 HB ILE A 41 15.061 1.529 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.208 1.864 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.632 1.733 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.798 2.497 -6.092 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.502 0.864 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.788 1.110 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.368 4.074 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.052 3.744 -3.308 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.621 3.878 -5.030 1.00 0.00 H new ATOM 607 N ASP A 42 13.020 -0.767 -2.023 1.00 0.00 N ATOM 608 CA ASP A 42 13.057 -1.055 -0.594 1.00 0.00 C ATOM 609 C ASP A 42 11.856 -1.899 -0.178 1.00 0.00 C ATOM 610 O ASP A 42 10.719 -1.425 -0.186 1.00 0.00 O ATOM 611 CB ASP A 42 13.086 0.246 0.210 1.00 0.00 C ATOM 612 CG ASP A 42 13.770 0.082 1.553 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.187 -0.577 2.440 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.888 0.611 1.717 1.00 0.00 O ATOM 0 H ASP A 42 12.082 -0.735 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 42 13.965 -1.621 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.602 1.014 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.066 0.596 0.366 1.00 0.00 H new ATOM 619 N LEU A 43 12.115 -3.150 0.184 1.00 0.00 N ATOM 620 CA LEU A 43 11.055 -4.061 0.603 1.00 0.00 C ATOM 621 C LEU A 43 11.448 -4.806 1.874 1.00 0.00 C ATOM 622 O LEU A 43 12.326 -5.669 1.854 1.00 0.00 O ATOM 623 CB LEU A 43 10.745 -5.060 -0.513 1.00 0.00 C ATOM 624 CG LEU A 43 9.974 -6.313 -0.096 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.690 -5.934 0.626 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.670 -7.181 -1.309 1.00 0.00 C ATOM 0 H LEU A 43 13.050 -3.557 0.196 1.00 0.00 H new ATOM 0 HA LEU A 43 10.163 -3.470 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.173 -4.546 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.686 -5.371 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 43 10.596 -6.888 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.155 -6.838 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.931 -5.354 1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.063 -5.337 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.121 -8.068 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.067 -6.615 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.604 -7.482 -1.784 1.00 0.00 H new ATOM 638 N SER A 44 10.790 -4.469 2.979 1.00 0.00 N ATOM 639 CA SER A 44 11.072 -5.106 4.260 1.00 0.00 C ATOM 640 C SER A 44 9.827 -5.797 4.809 1.00 0.00 C ATOM 641 O SER A 44 8.703 -5.354 4.573 1.00 0.00 O ATOM 642 CB SER A 44 11.580 -4.071 5.267 1.00 0.00 C ATOM 643 OG SER A 44 11.975 -4.690 6.479 1.00 0.00 O ATOM 0 H SER A 44 10.058 -3.759 3.013 1.00 0.00 H new ATOM 0 HA SER A 44 11.844 -5.859 4.101 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.423 -3.528 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.798 -3.339 5.467 1.00 0.00 H new ATOM 0 HG SER A 44 12.297 -4.008 7.105 1.00 0.00 H new ATOM 649 N MET A 45 10.037 -6.886 5.541 1.00 0.00 N ATOM 650 CA MET A 45 8.933 -7.639 6.125 1.00 0.00 C ATOM 651 C MET A 45 9.119 -7.799 7.630 1.00 0.00 C ATOM 652 O MET A 45 10.236 -7.996 8.109 1.00 0.00 O ATOM 653 CB MET A 45 8.819 -9.014 5.464 1.00 0.00 C ATOM 654 CG MET A 45 7.904 -9.031 4.250 1.00 0.00 C ATOM 655 SD MET A 45 6.194 -9.412 4.674 1.00 0.00 S ATOM 656 CE MET A 45 5.739 -10.485 3.314 1.00 0.00 C ATOM 0 H MET A 45 10.961 -7.267 5.744 1.00 0.00 H new ATOM 0 HA MET A 45 8.013 -7.082 5.948 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.813 -9.348 5.165 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.450 -9.731 6.197 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.944 -8.060 3.756 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.270 -9.768 3.535 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.742 -10.221 2.960 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.456 -10.366 2.501 1.00 0.00 H new ATOM 0 HE3 MET A 45 5.742 -11.521 3.652 1.00 0.00 H new ATOM 666 N ASP A 46 8.020 -7.714 8.370 1.00 0.00 N ATOM 667 CA ASP A 46 8.062 -7.850 9.822 1.00 0.00 C ATOM 668 C ASP A 46 7.021 -8.855 10.304 1.00 0.00 C ATOM 669 O ASP A 46 5.851 -8.527 10.504 1.00 0.00 O ATOM 670 CB ASP A 46 7.829 -6.495 10.490 1.00 0.00 C ATOM 671 CG ASP A 46 9.100 -5.676 10.598 1.00 0.00 C ATOM 672 OD1 ASP A 46 10.195 -6.277 10.590 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.001 -4.434 10.691 1.00 0.00 O ATOM 0 H ASP A 46 7.088 -7.551 7.989 1.00 0.00 H new ATOM 0 HA ASP A 46 9.050 -8.217 10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.087 -5.935 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.415 -6.651 11.486 1.00 0.00 H new ATOM 678 N PRO A 47 7.453 -10.111 10.494 1.00 0.00 N ATOM 679 CA PRO A 47 6.573 -11.189 10.955 1.00 0.00 C ATOM 680 C PRO A 47 5.736 -10.780 12.162 1.00 0.00 C ATOM 681 O PRO A 47 4.541 -11.062 12.243 1.00 0.00 O ATOM 682 CB PRO A 47 7.550 -12.305 11.335 1.00 0.00 C ATOM 683 CG PRO A 47 8.757 -12.053 10.500 1.00 0.00 C ATOM 684 CD PRO A 47 8.834 -10.574 10.276 1.00 0.00 C ATOM 0 HA PRO A 47 5.849 -11.478 10.193 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.791 -12.275 12.398 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.126 -13.288 11.131 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.655 -12.414 11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.687 -12.584 9.550 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.528 -10.100 10.970 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.180 -10.340 9.269 1.00 0.00 H new ATOM 692 N PRO A 48 6.376 -10.097 13.123 1.00 0.00 N ATOM 693 CA PRO A 48 5.709 -9.633 14.343 1.00 0.00 C ATOM 694 C PRO A 48 4.389 -8.928 14.049 1.00 0.00 C ATOM 695 O PRO A 48 3.320 -9.409 14.426 1.00 0.00 O ATOM 696 CB PRO A 48 6.717 -8.652 14.947 1.00 0.00 C ATOM 697 CG PRO A 48 8.040 -9.105 14.434 1.00 0.00 C ATOM 698 CD PRO A 48 7.801 -9.726 13.092 1.00 0.00 C ATOM 0 HA PRO A 48 5.449 -10.459 15.005 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.504 -7.627 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.686 -8.673 16.036 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.730 -8.265 14.353 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.492 -9.824 15.117 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.014 -9.026 12.284 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.437 -10.597 12.936 1.00 0.00 H new ATOM 706 N ARG A 49 4.471 -7.786 13.374 1.00 0.00 N ATOM 707 CA ARG A 49 3.283 -7.015 13.031 1.00 0.00 C ATOM 708 C ARG A 49 2.671 -7.511 11.724 1.00 0.00 C ATOM 709 O ARG A 49 1.666 -6.978 11.256 1.00 0.00 O ATOM 710 CB ARG A 49 3.630 -5.530 12.912 1.00 0.00 C ATOM 711 CG ARG A 49 3.631 -4.796 14.243 1.00 0.00 C ATOM 712 CD ARG A 49 2.222 -4.629 14.789 1.00 0.00 C ATOM 713 NE ARG A 49 1.589 -3.405 14.306 1.00 0.00 N ATOM 714 CZ ARG A 49 1.936 -2.189 14.712 1.00 0.00 C ATOM 715 NH1 ARG A 49 2.905 -2.035 15.604 1.00 0.00 N ATOM 716 NH2 ARG A 49 1.313 -1.123 14.227 1.00 0.00 N ATOM 0 H ARG A 49 5.348 -7.375 13.054 1.00 0.00 H new ATOM 0 HA ARG A 49 2.552 -7.148 13.828 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.613 -5.431 12.451 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.915 -5.051 12.243 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.238 -5.346 14.962 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.093 -3.816 14.119 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.617 -5.488 14.500 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.255 -4.614 15.878 1.00 0.00 H new ATOM 0 HE ARG A 49 0.839 -3.488 13.619 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.386 -2.852 15.980 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.169 -1.100 15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.566 -1.237 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.581 -0.190 14.540 1.00 0.00 H new ATOM 730 N ASN A 50 3.285 -8.536 11.141 1.00 0.00 N ATOM 731 CA ASN A 50 2.801 -9.104 9.888 1.00 0.00 C ATOM 732 C ASN A 50 2.565 -8.011 8.850 1.00 0.00 C ATOM 733 O ASN A 50 1.499 -7.942 8.238 1.00 0.00 O ATOM 734 CB ASN A 50 1.508 -9.886 10.124 1.00 0.00 C ATOM 735 CG ASN A 50 1.759 -11.240 10.760 1.00 0.00 C ATOM 736 OD1 ASN A 50 2.788 -11.871 10.518 1.00 0.00 O ATOM 737 ND2 ASN A 50 0.817 -11.693 11.579 1.00 0.00 N ATOM 0 H ASN A 50 4.118 -8.990 11.516 1.00 0.00 H new ATOM 0 HA ASN A 50 3.564 -9.783 9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.846 -9.304 10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.991 -10.024 9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.931 -12.598 12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.020 -11.136 11.751 1.00 0.00 H new ATOM 744 N CYS A 51 3.566 -7.159 8.658 1.00 0.00 N ATOM 745 CA CYS A 51 3.467 -6.068 7.695 1.00 0.00 C ATOM 746 C CYS A 51 4.731 -5.977 6.845 1.00 0.00 C ATOM 747 O CYS A 51 5.696 -6.707 7.070 1.00 0.00 O ATOM 748 CB CYS A 51 3.228 -4.741 8.418 1.00 0.00 C ATOM 749 SG CYS A 51 4.623 -4.188 9.427 1.00 0.00 S ATOM 0 H CYS A 51 4.455 -7.203 9.156 1.00 0.00 H new ATOM 0 HA CYS A 51 2.622 -6.272 7.038 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.001 -3.973 7.679 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.349 -4.840 9.055 1.00 0.00 H new ATOM 0 HG CYS A 51 5.729 -4.666 8.938 1.00 0.00 H new ATOM 755 N ALA A 52 4.717 -5.077 5.867 1.00 0.00 N ATOM 756 CA ALA A 52 5.861 -4.891 4.984 1.00 0.00 C ATOM 757 C ALA A 52 5.893 -3.476 4.417 1.00 0.00 C ATOM 758 O ALA A 52 4.854 -2.830 4.276 1.00 0.00 O ATOM 759 CB ALA A 52 5.830 -5.913 3.857 1.00 0.00 C ATOM 0 H ALA A 52 3.926 -4.465 5.667 1.00 0.00 H new ATOM 0 HA ALA A 52 6.768 -5.040 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.691 -5.762 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.864 -6.918 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.913 -5.792 3.281 1.00 0.00 H new ATOM 765 N PHE A 53 7.090 -2.999 4.095 1.00 0.00 N ATOM 766 CA PHE A 53 7.257 -1.659 3.545 1.00 0.00 C ATOM 767 C PHE A 53 7.832 -1.718 2.133 1.00 0.00 C ATOM 768 O PHE A 53 9.029 -1.936 1.946 1.00 0.00 O ATOM 769 CB PHE A 53 8.172 -0.825 4.445 1.00 0.00 C ATOM 770 CG PHE A 53 7.832 -0.929 5.905 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.683 -0.338 6.406 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.662 -1.615 6.776 1.00 0.00 C ATOM 773 CE1 PHE A 53 6.367 -0.431 7.748 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.352 -1.712 8.119 1.00 0.00 C ATOM 775 CZ PHE A 53 7.203 -1.118 8.606 1.00 0.00 C ATOM 0 H PHE A 53 7.960 -3.521 4.205 1.00 0.00 H new ATOM 0 HA PHE A 53 6.275 -1.188 3.500 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.204 -1.144 4.297 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.114 0.220 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.027 0.202 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.562 -2.080 6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.468 0.033 8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.007 -2.251 8.787 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.959 -1.191 9.656 1.00 0.00 H new ATOM 785 N VAL A 54 6.968 -1.523 1.141 1.00 0.00 N ATOM 786 CA VAL A 54 7.389 -1.554 -0.255 1.00 0.00 C ATOM 787 C VAL A 54 7.534 -0.143 -0.816 1.00 0.00 C ATOM 788 O VAL A 54 6.563 0.612 -0.889 1.00 0.00 O ATOM 789 CB VAL A 54 6.390 -2.340 -1.125 1.00 0.00 C ATOM 790 CG1 VAL A 54 6.841 -2.354 -2.577 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.224 -3.757 -0.596 1.00 0.00 C ATOM 0 H VAL A 54 5.974 -1.342 1.278 1.00 0.00 H new ATOM 0 HA VAL A 54 8.357 -2.055 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 54 5.422 -1.842 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.123 -2.914 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.904 -1.331 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.820 -2.827 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.515 -4.298 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.187 -4.267 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.851 -3.722 0.428 1.00 0.00 H new ATOM 801 N THR A 55 8.753 0.207 -1.214 1.00 0.00 N ATOM 802 CA THR A 55 9.027 1.527 -1.768 1.00 0.00 C ATOM 803 C THR A 55 9.233 1.457 -3.277 1.00 0.00 C ATOM 804 O THR A 55 9.936 0.579 -3.777 1.00 0.00 O ATOM 805 CB THR A 55 10.271 2.162 -1.120 1.00 0.00 C ATOM 806 OG1 THR A 55 10.033 2.396 0.273 1.00 0.00 O ATOM 807 CG2 THR A 55 10.630 3.471 -1.805 1.00 0.00 C ATOM 0 H THR A 55 9.567 -0.406 -1.163 1.00 0.00 H new ATOM 0 HA THR A 55 8.158 2.148 -1.551 1.00 0.00 H new ATOM 0 HB THR A 55 11.105 1.470 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.830 2.799 0.678 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.512 3.901 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.840 3.285 -2.858 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.796 4.167 -1.719 1.00 0.00 H new ATOM 815 N TYR A 56 8.617 2.388 -3.997 1.00 0.00 N ATOM 816 CA TYR A 56 8.731 2.431 -5.450 1.00 0.00 C ATOM 817 C TYR A 56 9.720 3.508 -5.886 1.00 0.00 C ATOM 818 O TYR A 56 9.831 4.557 -5.252 1.00 0.00 O ATOM 819 CB TYR A 56 7.364 2.692 -6.083 1.00 0.00 C ATOM 820 CG TYR A 56 6.455 1.483 -6.081 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.853 0.290 -6.672 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.199 1.534 -5.488 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.026 -0.816 -6.673 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.367 0.432 -5.483 1.00 0.00 C ATOM 825 CZ TYR A 56 4.784 -0.741 -6.077 1.00 0.00 C ATOM 826 OH TYR A 56 3.957 -1.840 -6.076 1.00 0.00 O ATOM 0 H TYR A 56 8.033 3.123 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 56 9.101 1.463 -5.789 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.874 3.505 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.507 3.027 -7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.825 0.227 -7.138 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.868 2.451 -5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.350 -1.735 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.395 0.488 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 56 4.226 -2.452 -6.793 1.00 0.00 H new ATOM 836 N GLU A 57 10.435 3.240 -6.974 1.00 0.00 N ATOM 837 CA GLU A 57 11.415 4.186 -7.496 1.00 0.00 C ATOM 838 C GLU A 57 10.749 5.506 -7.874 1.00 0.00 C ATOM 839 O GLU A 57 11.414 6.533 -8.013 1.00 0.00 O ATOM 840 CB GLU A 57 12.128 3.595 -8.714 1.00 0.00 C ATOM 841 CG GLU A 57 12.940 4.613 -9.497 1.00 0.00 C ATOM 842 CD GLU A 57 13.692 3.992 -10.658 1.00 0.00 C ATOM 843 OE1 GLU A 57 14.819 3.502 -10.441 1.00 0.00 O ATOM 844 OE2 GLU A 57 13.152 3.995 -11.784 1.00 0.00 O ATOM 0 H GLU A 57 10.354 2.376 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 57 12.148 4.380 -6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.788 2.793 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.387 3.147 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.275 5.390 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.650 5.098 -8.827 1.00 0.00 H new ATOM 851 N LYS A 58 9.431 5.471 -8.040 1.00 0.00 N ATOM 852 CA LYS A 58 8.673 6.663 -8.401 1.00 0.00 C ATOM 853 C LYS A 58 7.489 6.860 -7.460 1.00 0.00 C ATOM 854 O LYS A 58 7.018 5.912 -6.832 1.00 0.00 O ATOM 855 CB LYS A 58 8.178 6.559 -9.846 1.00 0.00 C ATOM 856 CG LYS A 58 9.294 6.600 -10.875 1.00 0.00 C ATOM 857 CD LYS A 58 8.758 6.897 -12.266 1.00 0.00 C ATOM 858 CE LYS A 58 8.649 8.393 -12.514 1.00 0.00 C ATOM 859 NZ LYS A 58 9.986 9.029 -12.671 1.00 0.00 N ATOM 0 H LYS A 58 8.865 4.629 -7.930 1.00 0.00 H new ATOM 0 HA LYS A 58 9.334 7.525 -8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.620 5.630 -9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.483 7.375 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.022 7.361 -10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.819 5.645 -10.882 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.414 6.450 -13.013 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.778 6.435 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.055 8.570 -13.411 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.120 8.861 -11.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.880 9.948 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.415 9.171 -11.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.599 8.413 -13.243 1.00 0.00 H new ATOM 873 N MET A 59 7.011 8.097 -7.369 1.00 0.00 N ATOM 874 CA MET A 59 5.880 8.417 -6.506 1.00 0.00 C ATOM 875 C MET A 59 4.566 7.989 -7.151 1.00 0.00 C ATOM 876 O MET A 59 3.604 7.658 -6.459 1.00 0.00 O ATOM 877 CB MET A 59 5.849 9.917 -6.205 1.00 0.00 C ATOM 878 CG MET A 59 5.539 10.775 -7.421 1.00 0.00 C ATOM 879 SD MET A 59 7.022 11.257 -8.327 1.00 0.00 S ATOM 880 CE MET A 59 7.509 12.724 -7.422 1.00 0.00 C ATOM 0 H MET A 59 7.389 8.893 -7.882 1.00 0.00 H new ATOM 0 HA MET A 59 6.001 7.869 -5.572 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.102 10.109 -5.435 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.814 10.217 -5.795 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.873 10.227 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.005 11.670 -7.103 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.226 13.295 -8.013 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.630 13.338 -7.225 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.968 12.433 -6.477 1.00 0.00 H new ATOM 890 N GLU A 60 4.533 7.999 -8.480 1.00 0.00 N ATOM 891 CA GLU A 60 3.336 7.612 -9.217 1.00 0.00 C ATOM 892 C GLU A 60 2.931 6.179 -8.884 1.00 0.00 C ATOM 893 O GLU A 60 1.745 5.849 -8.851 1.00 0.00 O ATOM 894 CB GLU A 60 3.570 7.751 -10.723 1.00 0.00 C ATOM 895 CG GLU A 60 4.985 7.406 -11.153 1.00 0.00 C ATOM 896 CD GLU A 60 5.109 7.213 -12.652 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.406 6.338 -13.198 1.00 0.00 O ATOM 898 OE2 GLU A 60 5.909 7.939 -13.279 1.00 0.00 O ATOM 0 H GLU A 60 5.321 8.271 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 60 2.526 8.278 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.870 7.104 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.347 8.775 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.661 8.200 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.303 6.495 -10.646 1.00 0.00 H new ATOM 905 N SER A 61 3.925 5.332 -8.638 1.00 0.00 N ATOM 906 CA SER A 61 3.674 3.933 -8.311 1.00 0.00 C ATOM 907 C SER A 61 3.068 3.801 -6.917 1.00 0.00 C ATOM 908 O SER A 61 2.213 2.949 -6.678 1.00 0.00 O ATOM 909 CB SER A 61 4.971 3.127 -8.395 1.00 0.00 C ATOM 910 OG SER A 61 5.379 2.956 -9.741 1.00 0.00 O ATOM 0 H SER A 61 4.912 5.590 -8.659 1.00 0.00 H new ATOM 0 HA SER A 61 2.962 3.538 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.756 3.636 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.828 2.152 -7.928 1.00 0.00 H new ATOM 0 HG SER A 61 6.211 2.439 -9.767 1.00 0.00 H new ATOM 916 N ALA A 62 3.519 4.650 -6.000 1.00 0.00 N ATOM 917 CA ALA A 62 3.021 4.631 -4.630 1.00 0.00 C ATOM 918 C ALA A 62 1.500 4.729 -4.597 1.00 0.00 C ATOM 919 O ALA A 62 0.827 3.895 -3.991 1.00 0.00 O ATOM 920 CB ALA A 62 3.643 5.763 -3.827 1.00 0.00 C ATOM 0 H ALA A 62 4.229 5.360 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 62 3.307 3.681 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.262 5.737 -2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.727 5.647 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.386 6.718 -4.285 1.00 0.00 H new ATOM 926 N ASP A 63 0.964 5.753 -5.252 1.00 0.00 N ATOM 927 CA ASP A 63 -0.479 5.960 -5.298 1.00 0.00 C ATOM 928 C ASP A 63 -1.169 4.817 -6.035 1.00 0.00 C ATOM 929 O ASP A 63 -2.165 4.273 -5.561 1.00 0.00 O ATOM 930 CB ASP A 63 -0.803 7.292 -5.978 1.00 0.00 C ATOM 931 CG ASP A 63 -0.956 7.152 -7.480 1.00 0.00 C ATOM 932 OD1 ASP A 63 -1.969 6.571 -7.922 1.00 0.00 O ATOM 933 OD2 ASP A 63 -0.063 7.626 -8.213 1.00 0.00 O ATOM 0 H ASP A 63 1.507 6.453 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.851 5.984 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.724 7.697 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.011 8.009 -5.761 1.00 0.00 H new ATOM 938 N GLN A 64 -0.632 4.460 -7.198 1.00 0.00 N ATOM 939 CA GLN A 64 -1.198 3.383 -8.001 1.00 0.00 C ATOM 940 C GLN A 64 -1.388 2.122 -7.164 1.00 0.00 C ATOM 941 O GLN A 64 -2.513 1.671 -6.951 1.00 0.00 O ATOM 942 CB GLN A 64 -0.295 3.083 -9.199 1.00 0.00 C ATOM 943 CG GLN A 64 -0.486 4.044 -10.361 1.00 0.00 C ATOM 944 CD GLN A 64 -0.037 3.457 -11.684 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.985 2.774 -11.759 1.00 0.00 O ATOM 946 NE2 GLN A 64 -0.801 3.719 -12.738 1.00 0.00 N ATOM 0 H GLN A 64 0.193 4.901 -7.604 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.174 3.707 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.746 3.118 -8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.488 2.067 -9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.538 4.321 -10.429 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.073 4.959 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.640 4.290 -12.631 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.549 3.350 -13.655 1.00 0.00 H new ATOM 955 N ALA A 65 -0.281 1.558 -6.693 1.00 0.00 N ATOM 956 CA ALA A 65 -0.326 0.350 -5.878 1.00 0.00 C ATOM 957 C ALA A 65 -1.394 0.458 -4.795 1.00 0.00 C ATOM 958 O ALA A 65 -2.346 -0.322 -4.767 1.00 0.00 O ATOM 959 CB ALA A 65 1.036 0.083 -5.255 1.00 0.00 C ATOM 0 H ALA A 65 0.658 1.918 -6.862 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.587 -0.487 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.988 -0.822 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.777 -0.047 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.320 0.926 -4.626 1.00 0.00 H new ATOM 965 N VAL A 66 -1.229 1.430 -3.903 1.00 0.00 N ATOM 966 CA VAL A 66 -2.180 1.640 -2.817 1.00 0.00 C ATOM 967 C VAL A 66 -3.608 1.720 -3.345 1.00 0.00 C ATOM 968 O VAL A 66 -4.567 1.524 -2.600 1.00 0.00 O ATOM 969 CB VAL A 66 -1.861 2.928 -2.034 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.075 3.383 -1.238 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.664 2.712 -1.120 1.00 0.00 C ATOM 0 H VAL A 66 -0.446 2.084 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.091 0.784 -2.148 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.608 3.713 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.831 4.294 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.904 3.579 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.361 2.602 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.452 3.632 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.886 1.913 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.205 2.436 -1.718 1.00 0.00 H new ATOM 981 N ALA A 67 -3.741 2.008 -4.635 1.00 0.00 N ATOM 982 CA ALA A 67 -5.052 2.111 -5.264 1.00 0.00 C ATOM 983 C ALA A 67 -5.535 0.750 -5.752 1.00 0.00 C ATOM 984 O ALA A 67 -6.727 0.448 -5.695 1.00 0.00 O ATOM 985 CB ALA A 67 -5.008 3.102 -6.417 1.00 0.00 C ATOM 0 H ALA A 67 -2.957 2.174 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.759 2.472 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.994 3.169 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.715 4.083 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.283 2.766 -7.159 1.00 0.00 H new ATOM 991 N GLU A 68 -4.602 -0.067 -6.231 1.00 0.00 N ATOM 992 CA GLU A 68 -4.935 -1.396 -6.731 1.00 0.00 C ATOM 993 C GLU A 68 -4.672 -2.459 -5.667 1.00 0.00 C ATOM 994 O GLU A 68 -5.574 -3.200 -5.277 1.00 0.00 O ATOM 995 CB GLU A 68 -4.127 -1.709 -7.991 1.00 0.00 C ATOM 996 CG GLU A 68 -4.379 -0.738 -9.133 1.00 0.00 C ATOM 997 CD GLU A 68 -5.653 -1.050 -9.894 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.591 -1.846 -10.854 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.712 -0.499 -9.528 1.00 0.00 O ATOM 0 H GLU A 68 -3.611 0.168 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.997 -1.408 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.065 -1.698 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.366 -2.719 -8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.436 0.276 -8.737 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.534 -0.765 -9.821 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.429 -2.527 -5.203 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.045 -3.499 -4.185 1.00 0.00 C ATOM 1008 C LEU A 69 -3.940 -3.382 -2.956 1.00 0.00 C ATOM 1009 O LEU A 69 -4.051 -4.319 -2.166 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.582 -3.297 -3.786 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.538 -3.834 -4.767 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.811 -3.984 -4.082 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -0.991 -5.163 -5.353 1.00 0.00 C ATOM 0 H LEU A 69 -2.670 -1.921 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.166 -4.497 -4.606 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.408 -2.230 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.421 -3.773 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.431 -3.118 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.541 -4.367 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.141 -3.013 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.720 -4.679 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.236 -5.530 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.127 -5.887 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.935 -5.025 -5.881 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.578 -2.226 -2.802 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.465 -1.988 -1.669 1.00 0.00 C ATOM 1027 C ASN A 70 -6.654 -2.943 -1.699 1.00 0.00 C ATOM 1028 O ASN A 70 -7.446 -2.935 -2.640 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.959 -0.540 -1.678 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.342 -0.398 -1.072 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.351 -0.522 -1.766 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.394 -0.135 0.229 1.00 0.00 N ATOM 0 H ASN A 70 -4.497 -1.440 -3.447 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.901 -2.167 -0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.257 0.084 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.975 -0.171 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.297 -0.028 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.531 -0.041 0.765 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.772 -3.766 -0.661 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.867 -4.715 -0.588 1.00 0.00 C ATOM 1041 C GLY A 71 -7.791 -5.773 -1.671 1.00 0.00 C ATOM 1042 O GLY A 71 -8.753 -6.505 -1.904 1.00 0.00 O ATOM 0 H GLY A 71 -6.129 -3.792 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.860 -5.198 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.813 -4.180 -0.672 1.00 0.00 H new ATOM 1046 N THR A 72 -6.643 -5.855 -2.337 1.00 0.00 N ATOM 1047 CA THR A 72 -6.445 -6.829 -3.403 1.00 0.00 C ATOM 1048 C THR A 72 -6.235 -8.228 -2.837 1.00 0.00 C ATOM 1049 O THR A 72 -5.860 -8.388 -1.676 1.00 0.00 O ATOM 1050 CB THR A 72 -5.239 -6.458 -4.286 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.431 -6.958 -5.613 1.00 0.00 O ATOM 1052 CG2 THR A 72 -3.951 -7.024 -3.707 1.00 0.00 C ATOM 0 H THR A 72 -5.836 -5.258 -2.156 1.00 0.00 H new ATOM 0 HA THR A 72 -7.349 -6.819 -4.012 1.00 0.00 H new ATOM 0 HB THR A 72 -5.159 -5.371 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.661 -6.716 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.113 -6.749 -4.347 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.792 -6.619 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.024 -8.110 -3.651 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.479 -9.239 -3.665 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.316 -10.626 -3.245 1.00 0.00 C ATOM 1062 C GLN A 73 -5.295 -11.344 -4.122 1.00 0.00 C ATOM 1063 O GLN A 73 -5.629 -11.853 -5.191 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.658 -11.359 -3.300 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.617 -12.750 -2.690 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.999 -13.318 -2.438 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.985 -12.582 -2.379 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -9.080 -14.635 -2.288 1.00 0.00 N ATOM 0 H GLN A 73 -6.790 -9.124 -4.630 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.951 -10.628 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.409 -10.765 -2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.978 -11.436 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.070 -13.418 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.066 -12.714 -1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.238 -15.207 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.985 -15.074 -2.116 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.049 -11.380 -3.661 1.00 0.00 N ATOM 1078 CA VAL A 74 -2.979 -12.036 -4.403 1.00 0.00 C ATOM 1079 C VAL A 74 -2.493 -13.285 -3.677 1.00 0.00 C ATOM 1080 O VAL A 74 -2.401 -13.306 -2.451 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.785 -11.087 -4.624 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.268 -9.719 -5.081 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.955 -10.972 -3.355 1.00 0.00 C ATOM 0 H VAL A 74 -3.756 -10.963 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.393 -12.319 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.152 -11.503 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.411 -9.062 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.817 -9.821 -6.017 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.923 -9.292 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.116 -10.298 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.575 -10.579 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.578 -11.956 -3.076 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.182 -14.326 -4.445 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.705 -15.580 -3.874 1.00 0.00 C ATOM 1095 C GLU A 75 -2.651 -16.076 -2.784 1.00 0.00 C ATOM 1096 O GLU A 75 -2.214 -16.588 -1.754 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.297 -15.402 -3.300 1.00 0.00 C ATOM 1098 CG GLU A 75 0.715 -14.901 -4.316 1.00 0.00 C ATOM 1099 CD GLU A 75 1.035 -15.933 -5.379 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.095 -16.401 -6.055 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.227 -16.272 -5.536 1.00 0.00 O ATOM 0 H GLU A 75 -2.252 -14.325 -5.463 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.674 -16.324 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.340 -14.701 -2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.046 -16.355 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.329 -14.001 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.633 -14.620 -3.800 1.00 0.00 H new ATOM 1108 N SER A 76 -3.950 -15.919 -3.020 1.00 0.00 N ATOM 1109 CA SER A 76 -4.959 -16.346 -2.058 1.00 0.00 C ATOM 1110 C SER A 76 -4.762 -15.646 -0.717 1.00 0.00 C ATOM 1111 O SER A 76 -5.103 -16.186 0.335 1.00 0.00 O ATOM 1112 CB SER A 76 -4.901 -17.863 -1.866 1.00 0.00 C ATOM 1113 OG SER A 76 -5.536 -18.537 -2.939 1.00 0.00 O ATOM 0 H SER A 76 -4.328 -15.499 -3.869 1.00 0.00 H new ATOM 0 HA SER A 76 -5.938 -16.073 -2.451 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.862 -18.184 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.383 -18.133 -0.926 1.00 0.00 H new ATOM 0 HG SER A 76 -5.484 -19.505 -2.794 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.209 -14.438 -0.763 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.967 -13.661 0.447 1.00 0.00 C ATOM 1121 C VAL A 77 -4.327 -12.194 0.240 1.00 0.00 C ATOM 1122 O VAL A 77 -3.739 -11.514 -0.600 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.495 -13.759 0.891 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.240 -12.863 2.094 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -2.128 -15.202 1.203 1.00 0.00 C ATOM 0 H VAL A 77 -3.920 -13.976 -1.625 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.603 -14.081 1.226 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.862 -13.416 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.195 -12.945 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.462 -11.829 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.880 -13.172 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.085 -15.253 1.515 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.765 -15.574 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.271 -15.814 0.313 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.297 -11.714 1.011 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.736 -10.327 0.912 1.00 0.00 C ATOM 1137 C GLN A 78 -4.662 -9.378 1.432 1.00 0.00 C ATOM 1138 O GLN A 78 -4.376 -9.343 2.630 1.00 0.00 O ATOM 1139 CB GLN A 78 -7.035 -10.124 1.693 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.287 -10.377 0.869 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.451 -10.864 1.710 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -10.247 -10.067 2.208 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -9.556 -12.177 1.872 1.00 0.00 N ATOM 0 H GLN A 78 -5.794 -12.265 1.711 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.914 -10.103 -0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.038 -10.790 2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.063 -9.104 2.077 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.573 -9.458 0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.067 -11.115 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.873 -12.800 1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.319 -12.563 2.428 1.00 0.00 H new ATOM 1152 N LEU A 79 -4.070 -8.609 0.525 1.00 0.00 N ATOM 1153 CA LEU A 79 -3.026 -7.658 0.892 1.00 0.00 C ATOM 1154 C LEU A 79 -3.610 -6.267 1.114 1.00 0.00 C ATOM 1155 O LEU A 79 -4.398 -5.775 0.305 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.952 -7.605 -0.196 1.00 0.00 C ATOM 1157 CG LEU A 79 -0.980 -8.785 -0.238 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.196 -8.475 -1.150 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.496 -9.127 1.163 1.00 0.00 C ATOM 0 H LEU A 79 -4.295 -8.625 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.574 -7.995 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.447 -7.534 -1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.375 -6.689 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.506 -9.651 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.877 -9.326 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.167 -8.280 -2.159 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.723 -7.596 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.195 -9.969 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.013 -8.264 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.349 -9.393 1.788 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.218 -5.635 2.215 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.700 -4.298 2.543 1.00 0.00 C ATOM 1173 C LYS A 80 -2.562 -3.283 2.497 1.00 0.00 C ATOM 1174 O LYS A 80 -1.706 -3.254 3.382 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.346 -4.292 3.930 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.721 -4.937 3.963 1.00 0.00 C ATOM 1177 CD LYS A 80 -6.079 -5.417 5.359 1.00 0.00 C ATOM 1178 CE LYS A 80 -6.604 -4.280 6.223 1.00 0.00 C ATOM 1179 NZ LYS A 80 -7.313 -4.782 7.432 1.00 0.00 N ATOM 0 H LYS A 80 -2.567 -6.027 2.896 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.446 -4.016 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.692 -4.814 4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.428 -3.263 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.468 -4.221 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.746 -5.778 3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.832 -6.202 5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.200 -5.857 5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.774 -3.643 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.282 -3.661 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.655 -3.976 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.121 -5.370 7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.659 -5.352 8.006 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.558 -2.451 1.461 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.527 -1.433 1.301 1.00 0.00 C ATOM 1195 C VAL A 81 -2.068 -0.046 1.629 1.00 0.00 C ATOM 1196 O VAL A 81 -3.251 0.231 1.436 1.00 0.00 O ATOM 1197 CB VAL A 81 -0.962 -1.426 -0.132 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.283 -0.556 -0.211 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.663 -2.844 -0.593 1.00 0.00 C ATOM 0 H VAL A 81 -3.258 -2.462 0.719 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.727 -1.682 1.998 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.714 -1.003 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.668 -0.563 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.032 0.465 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.043 -0.946 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.265 -2.820 -1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.070 -3.297 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.580 -3.433 -0.577 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.194 0.822 2.126 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.584 2.182 2.481 1.00 0.00 C ATOM 1211 C ASN A 82 -0.396 3.133 2.377 1.00 0.00 C ATOM 1212 O ASN A 82 0.750 2.738 2.594 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.156 2.216 3.900 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.108 1.066 4.167 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.687 -0.024 4.558 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.397 1.303 3.956 1.00 0.00 N ATOM 0 H ASN A 82 -0.211 0.608 2.292 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.351 2.509 1.779 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.338 2.182 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.678 3.160 4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.084 0.567 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.700 2.221 3.632 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.678 4.389 2.046 1.00 0.00 N ATOM 1224 CA ILE A 83 0.367 5.397 1.915 1.00 0.00 C ATOM 1225 C ILE A 83 0.978 5.735 3.271 1.00 0.00 C ATOM 1226 O ILE A 83 0.455 6.571 4.007 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.174 6.688 1.272 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -0.965 6.359 0.004 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.969 7.642 0.958 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.091 5.993 -1.175 1.00 0.00 C ATOM 0 H ILE A 83 -1.621 4.733 1.864 1.00 0.00 H new ATOM 0 HA ILE A 83 1.135 4.973 1.269 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.845 7.176 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.644 5.532 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.581 7.218 -0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.571 8.550 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.494 7.897 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.662 7.164 0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.719 5.772 -2.038 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.570 6.827 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.506 5.116 -0.927 1.00 0.00 H new ATOM 1242 N ALA A 84 2.088 5.080 3.593 1.00 0.00 N ATOM 1243 CA ALA A 84 2.773 5.313 4.859 1.00 0.00 C ATOM 1244 C ALA A 84 2.716 6.786 5.250 1.00 0.00 C ATOM 1245 O ALA A 84 3.402 7.621 4.659 1.00 0.00 O ATOM 1246 CB ALA A 84 4.217 4.843 4.772 1.00 0.00 C ATOM 0 H ALA A 84 2.533 4.384 2.995 1.00 0.00 H new ATOM 0 HA ALA A 84 2.262 4.739 5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.716 5.023 5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.240 3.777 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.731 5.392 3.983 1.00 0.00 H new ATOM 1252 N ARG A 85 1.896 7.098 6.247 1.00 0.00 N ATOM 1253 CA ARG A 85 1.749 8.471 6.715 1.00 0.00 C ATOM 1254 C ARG A 85 3.047 8.973 7.342 1.00 0.00 C ATOM 1255 O ARG A 85 3.253 10.178 7.487 1.00 0.00 O ATOM 1256 CB ARG A 85 0.609 8.567 7.731 1.00 0.00 C ATOM 1257 CG ARG A 85 0.841 7.742 8.987 1.00 0.00 C ATOM 1258 CD ARG A 85 1.675 8.502 10.006 1.00 0.00 C ATOM 1259 NE ARG A 85 1.350 8.116 11.376 1.00 0.00 N ATOM 1260 CZ ARG A 85 0.180 8.365 11.953 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -0.772 8.998 11.281 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -0.040 7.982 13.204 1.00 0.00 N ATOM 0 H ARG A 85 1.323 6.418 6.747 1.00 0.00 H new ATOM 0 HA ARG A 85 1.514 9.098 5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.472 9.611 8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.317 8.240 7.258 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.118 7.472 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.344 6.811 8.725 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.733 8.318 9.819 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.511 9.573 9.882 1.00 0.00 H new ATOM 0 HE ARG A 85 2.061 7.628 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.606 9.295 10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.670 9.188 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.690 7.495 13.724 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.939 8.174 13.646 1.00 0.00 H new ATOM 1276 N LYS A 86 3.918 8.041 7.714 1.00 0.00 N ATOM 1277 CA LYS A 86 5.196 8.387 8.324 1.00 0.00 C ATOM 1278 C LYS A 86 6.331 8.275 7.312 1.00 0.00 C ATOM 1279 O LYS A 86 7.019 7.256 7.248 1.00 0.00 O ATOM 1280 CB LYS A 86 5.475 7.477 9.522 1.00 0.00 C ATOM 1281 CG LYS A 86 6.711 7.872 10.311 1.00 0.00 C ATOM 1282 CD LYS A 86 6.477 9.138 11.118 1.00 0.00 C ATOM 1283 CE LYS A 86 7.478 9.267 12.256 1.00 0.00 C ATOM 1284 NZ LYS A 86 6.996 8.600 13.497 1.00 0.00 N ATOM 0 H LYS A 86 3.762 7.039 7.603 1.00 0.00 H new ATOM 0 HA LYS A 86 5.139 9.421 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.611 7.490 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.591 6.452 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.991 7.059 10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.547 8.024 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.554 10.007 10.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.465 9.131 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.429 8.829 11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.663 10.322 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.706 8.710 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.101 9.035 13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.844 7.588 13.311 1.00 0.00 H new ATOM 1298 N GLN A 87 6.521 9.328 6.524 1.00 0.00 N ATOM 1299 CA GLN A 87 7.574 9.347 5.515 1.00 0.00 C ATOM 1300 C GLN A 87 8.526 10.516 5.743 1.00 0.00 C ATOM 1301 O GLN A 87 8.395 11.582 5.140 1.00 0.00 O ATOM 1302 CB GLN A 87 6.966 9.434 4.114 1.00 0.00 C ATOM 1303 CG GLN A 87 6.471 8.099 3.581 1.00 0.00 C ATOM 1304 CD GLN A 87 6.183 8.136 2.093 1.00 0.00 C ATOM 1305 OE1 GLN A 87 6.978 8.654 1.307 1.00 0.00 O ATOM 1306 NE2 GLN A 87 5.041 7.585 1.697 1.00 0.00 N ATOM 0 H GLN A 87 5.960 10.179 6.564 1.00 0.00 H new ATOM 0 HA GLN A 87 8.140 8.420 5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.135 10.140 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.712 9.836 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.218 7.332 3.784 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.566 7.812 4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.412 7.167 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.793 7.580 0.708 1.00 0.00 H new ATOM 1315 N PRO A 88 9.508 10.315 6.634 1.00 0.00 N ATOM 1316 CA PRO A 88 10.501 11.342 6.963 1.00 0.00 C ATOM 1317 C PRO A 88 11.466 11.604 5.811 1.00 0.00 C ATOM 1318 O PRO A 88 11.362 10.989 4.750 1.00 0.00 O ATOM 1319 CB PRO A 88 11.246 10.746 8.160 1.00 0.00 C ATOM 1320 CG PRO A 88 11.077 9.273 8.015 1.00 0.00 C ATOM 1321 CD PRO A 88 9.724 9.070 7.390 1.00 0.00 C ATOM 0 HA PRO A 88 10.037 12.306 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.299 11.027 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.830 11.102 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.863 8.850 7.390 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.138 8.776 8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.709 8.196 6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.952 8.918 8.144 1.00 0.00 H new ATOM 1329 N MET A 89 12.405 12.519 6.029 1.00 0.00 N ATOM 1330 CA MET A 89 13.390 12.860 5.009 1.00 0.00 C ATOM 1331 C MET A 89 14.416 11.743 4.848 1.00 0.00 C ATOM 1332 O MET A 89 15.115 11.387 5.798 1.00 0.00 O ATOM 1333 CB MET A 89 14.096 14.169 5.369 1.00 0.00 C ATOM 1334 CG MET A 89 14.814 14.815 4.195 1.00 0.00 C ATOM 1335 SD MET A 89 15.164 16.562 4.471 1.00 0.00 S ATOM 1336 CE MET A 89 16.300 16.465 5.852 1.00 0.00 C ATOM 0 H MET A 89 12.505 13.037 6.902 1.00 0.00 H new ATOM 0 HA MET A 89 12.866 12.987 4.062 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.362 14.871 5.766 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.817 13.977 6.164 1.00 0.00 H new ATOM 0 HG2 MET A 89 15.749 14.286 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 89 14.204 14.708 3.298 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.664 17.463 6.095 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.786 16.046 6.717 1.00 0.00 H new ATOM 0 HE3 MET A 89 17.143 15.827 5.586 1.00 0.00 H new ATOM 1346 N LEU A 90 14.500 11.193 3.642 1.00 0.00 N ATOM 1347 CA LEU A 90 15.441 10.115 3.357 1.00 0.00 C ATOM 1348 C LEU A 90 16.880 10.586 3.537 1.00 0.00 C ATOM 1349 O LEU A 90 17.314 11.547 2.901 1.00 0.00 O ATOM 1350 CB LEU A 90 15.237 9.596 1.933 1.00 0.00 C ATOM 1351 CG LEU A 90 13.967 8.779 1.692 1.00 0.00 C ATOM 1352 CD1 LEU A 90 12.746 9.684 1.667 1.00 0.00 C ATOM 1353 CD2 LEU A 90 14.077 7.993 0.393 1.00 0.00 C ATOM 0 H LEU A 90 13.928 11.475 2.846 1.00 0.00 H new ATOM 0 HA LEU A 90 15.252 9.306 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.231 10.449 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.097 8.982 1.665 1.00 0.00 H new ATOM 0 HG LEU A 90 13.852 8.072 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.852 9.084 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.657 10.201 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 90 12.852 10.416 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.164 7.417 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 90 14.217 8.683 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.929 7.315 0.449 1.00 0.00 H new ATOM 1365 N ASP A 91 17.617 9.903 4.407 1.00 0.00 N ATOM 1366 CA ASP A 91 19.009 10.249 4.668 1.00 0.00 C ATOM 1367 C ASP A 91 19.893 9.007 4.636 1.00 0.00 C ATOM 1368 O ASP A 91 19.793 8.138 5.502 1.00 0.00 O ATOM 1369 CB ASP A 91 19.137 10.946 6.024 1.00 0.00 C ATOM 1370 CG ASP A 91 18.963 12.449 5.921 1.00 0.00 C ATOM 1371 OD1 ASP A 91 19.782 13.095 5.235 1.00 0.00 O ATOM 1372 OD2 ASP A 91 18.008 12.979 6.527 1.00 0.00 O ATOM 0 H ASP A 91 17.273 9.106 4.943 1.00 0.00 H new ATOM 0 HA ASP A 91 19.342 10.930 3.884 1.00 0.00 H new ATOM 0 HB2 ASP A 91 18.391 10.543 6.708 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.115 10.725 6.452 1.00 0.00 H new ATOM 1377 N SER A 92 20.759 8.929 3.630 1.00 0.00 N ATOM 1378 CA SER A 92 21.658 7.791 3.481 1.00 0.00 C ATOM 1379 C SER A 92 22.492 7.589 4.742 1.00 0.00 C ATOM 1380 O SER A 92 22.512 6.503 5.320 1.00 0.00 O ATOM 1381 CB SER A 92 22.577 7.994 2.275 1.00 0.00 C ATOM 1382 OG SER A 92 23.356 6.836 2.027 1.00 0.00 O ATOM 0 H SER A 92 20.857 9.641 2.906 1.00 0.00 H new ATOM 0 HA SER A 92 21.052 6.899 3.320 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.980 8.230 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 92 23.233 8.846 2.453 1.00 0.00 H new ATOM 0 HG SER A 92 23.934 6.990 1.251 1.00 0.00 H new ATOM 1388 N GLY A 93 23.181 8.645 5.164 1.00 0.00 N ATOM 1389 CA GLY A 93 24.008 8.565 6.353 1.00 0.00 C ATOM 1390 C GLY A 93 24.671 9.886 6.689 1.00 0.00 C ATOM 1391 O GLY A 93 25.032 10.666 5.807 1.00 0.00 O ATOM 0 H GLY A 93 23.181 9.555 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 93 23.396 8.244 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 93 24.775 7.804 6.208 1.00 0.00 H new ATOM 1395 N PRO A 94 24.839 10.154 7.992 1.00 0.00 N ATOM 1396 CA PRO A 94 25.463 11.391 8.472 1.00 0.00 C ATOM 1397 C PRO A 94 26.956 11.442 8.169 1.00 0.00 C ATOM 1398 O PRO A 94 27.531 12.520 8.017 1.00 0.00 O ATOM 1399 CB PRO A 94 25.225 11.345 9.984 1.00 0.00 C ATOM 1400 CG PRO A 94 25.083 9.896 10.301 1.00 0.00 C ATOM 1401 CD PRO A 94 24.433 9.270 9.098 1.00 0.00 C ATOM 0 HA PRO A 94 25.045 12.273 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 94 26.057 11.790 10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 94 24.329 11.901 10.261 1.00 0.00 H new ATOM 0 HG2 PRO A 94 26.054 9.443 10.500 1.00 0.00 H new ATOM 0 HG3 PRO A 94 24.475 9.750 11.194 1.00 0.00 H new ATOM 0 HD2 PRO A 94 24.777 8.247 8.942 1.00 0.00 H new ATOM 0 HD3 PRO A 94 23.349 9.229 9.203 1.00 0.00 H new ATOM 1409 N SER A 95 27.579 10.271 8.083 1.00 0.00 N ATOM 1410 CA SER A 95 29.007 10.183 7.801 1.00 0.00 C ATOM 1411 C SER A 95 29.315 10.689 6.395 1.00 0.00 C ATOM 1412 O SER A 95 28.462 10.650 5.509 1.00 0.00 O ATOM 1413 CB SER A 95 29.490 8.740 7.954 1.00 0.00 C ATOM 1414 OG SER A 95 30.900 8.659 7.836 1.00 0.00 O ATOM 0 H SER A 95 27.117 9.370 8.205 1.00 0.00 H new ATOM 0 HA SER A 95 29.534 10.813 8.518 1.00 0.00 H new ATOM 0 HB2 SER A 95 29.180 8.350 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 95 29.022 8.114 7.194 1.00 0.00 H new ATOM 0 HG SER A 95 31.184 7.727 7.939 1.00 0.00 H new ATOM 1420 N SER A 96 30.541 11.162 6.199 1.00 0.00 N ATOM 1421 CA SER A 96 30.963 11.680 4.903 1.00 0.00 C ATOM 1422 C SER A 96 32.029 10.783 4.281 1.00 0.00 C ATOM 1423 O SER A 96 33.161 10.722 4.759 1.00 0.00 O ATOM 1424 CB SER A 96 31.501 13.104 5.049 1.00 0.00 C ATOM 1425 OG SER A 96 30.451 14.054 4.986 1.00 0.00 O ATOM 0 H SER A 96 31.260 11.197 6.921 1.00 0.00 H new ATOM 0 HA SER A 96 30.094 11.694 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 96 32.028 13.202 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 96 32.226 13.305 4.260 1.00 0.00 H new ATOM 0 HG SER A 96 30.820 14.957 5.084 1.00 0.00 H new ATOM 1431 N GLY A 97 31.658 10.087 3.210 1.00 0.00 N ATOM 1432 CA GLY A 97 32.593 9.203 2.540 1.00 0.00 C ATOM 1433 C GLY A 97 31.950 8.436 1.400 1.00 0.00 C ATOM 1434 O GLY A 97 32.499 8.371 0.300 1.00 0.00 O ATOM 0 H GLY A 97 30.727 10.120 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 97 33.429 9.787 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 97 33.003 8.498 3.263 1.00 0.00 H new TER 1438 GLY A 97