USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 ASN : amide:sc= -0.976 X(o=-0.83,f=-0.69) USER MOD Set 1.2: A 82 SER OG : rot -145:sc= 0.15 USER MOD Set 2.1: A 38 TYR OH : rot 150:sc= -1.51 USER MOD Set 2.2: A 58 GLN : amide:sc= -3.78 K(o=-5.3,f=-0.46) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.119 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -0.316 (180deg=-0.925) USER MOD Single : A 20 HIS : no HE2:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -23:sc= 0.0873 USER MOD Single : A 33 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.22) USER MOD Single : A 40 SER OG : rot 180:sc= -0.15 USER MOD Single : A 46 SER OG : rot -118:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 72 HIS : no HE2:sc= -1.21 K(o=-1.2,f=-5.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0116) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -150:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -3.69! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0997 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.672 -13.442 0.450 1.00 0.00 N ATOM 2 CA GLY A 1 25.675 -12.508 1.563 1.00 0.00 C ATOM 3 C GLY A 1 24.376 -12.607 2.365 1.00 0.00 C ATOM 4 O GLY A 1 24.311 -13.323 3.363 1.00 0.00 O ATOM 0 H1 GLY A 1 26.564 -13.355 -0.078 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.577 -14.412 0.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.874 -13.228 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.525 -12.715 2.213 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.799 -11.492 1.189 1.00 0.00 H new ATOM 8 N SER A 2 23.373 -11.877 1.899 1.00 0.00 N ATOM 9 CA SER A 2 22.079 -11.873 2.561 1.00 0.00 C ATOM 10 C SER A 2 20.992 -11.429 1.581 1.00 0.00 C ATOM 11 O SER A 2 21.080 -10.349 0.998 1.00 0.00 O ATOM 12 CB SER A 2 22.092 -10.962 3.789 1.00 0.00 C ATOM 13 OG SER A 2 22.293 -11.694 4.995 1.00 0.00 O ATOM 0 H SER A 2 23.430 -11.284 1.071 1.00 0.00 H new ATOM 0 HA SER A 2 21.863 -12.887 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.882 -10.218 3.680 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.149 -10.419 3.847 1.00 0.00 H new ATOM 0 HG SER A 2 22.960 -12.396 4.844 1.00 0.00 H new ATOM 19 N SER A 3 19.991 -12.284 1.430 1.00 0.00 N ATOM 20 CA SER A 3 18.887 -11.992 0.531 1.00 0.00 C ATOM 21 C SER A 3 19.409 -11.808 -0.896 1.00 0.00 C ATOM 22 O SER A 3 20.602 -11.591 -1.101 1.00 0.00 O ATOM 23 CB SER A 3 18.124 -10.746 0.982 1.00 0.00 C ATOM 24 OG SER A 3 17.460 -10.947 2.226 1.00 0.00 O ATOM 0 H SER A 3 19.921 -13.179 1.915 1.00 0.00 H new ATOM 0 HA SER A 3 18.196 -12.835 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.817 -9.910 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.393 -10.474 0.221 1.00 0.00 H new ATOM 0 HG SER A 3 16.986 -10.128 2.480 1.00 0.00 H new ATOM 30 N GLY A 4 18.489 -11.900 -1.845 1.00 0.00 N ATOM 31 CA GLY A 4 18.842 -11.746 -3.246 1.00 0.00 C ATOM 32 C GLY A 4 17.772 -12.361 -4.151 1.00 0.00 C ATOM 33 O GLY A 4 17.959 -13.452 -4.688 1.00 0.00 O ATOM 0 H GLY A 4 17.500 -12.079 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.958 -10.688 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.803 -12.223 -3.437 1.00 0.00 H new ATOM 37 N SER A 5 16.674 -11.633 -4.293 1.00 0.00 N ATOM 38 CA SER A 5 15.574 -12.093 -5.124 1.00 0.00 C ATOM 39 C SER A 5 14.840 -10.896 -5.731 1.00 0.00 C ATOM 40 O SER A 5 15.031 -9.761 -5.297 1.00 0.00 O ATOM 41 CB SER A 5 14.602 -12.960 -4.321 1.00 0.00 C ATOM 42 OG SER A 5 14.361 -14.216 -4.951 1.00 0.00 O ATOM 0 H SER A 5 16.522 -10.728 -3.847 1.00 0.00 H new ATOM 0 HA SER A 5 15.985 -12.704 -5.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.005 -13.127 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.658 -12.429 -4.199 1.00 0.00 H new ATOM 0 HG SER A 5 13.737 -14.741 -4.407 1.00 0.00 H new ATOM 48 N SER A 6 14.016 -11.189 -6.726 1.00 0.00 N ATOM 49 CA SER A 6 13.253 -10.151 -7.397 1.00 0.00 C ATOM 50 C SER A 6 11.869 -10.022 -6.757 1.00 0.00 C ATOM 51 O SER A 6 11.121 -10.995 -6.688 1.00 0.00 O ATOM 52 CB SER A 6 13.121 -10.444 -8.893 1.00 0.00 C ATOM 53 OG SER A 6 13.923 -9.569 -9.681 1.00 0.00 O ATOM 0 H SER A 6 13.860 -12.131 -7.084 1.00 0.00 H new ATOM 0 HA SER A 6 13.787 -9.208 -7.285 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.412 -11.476 -9.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.077 -10.346 -9.191 1.00 0.00 H new ATOM 0 HG SER A 6 13.812 -9.789 -10.630 1.00 0.00 H new ATOM 59 N GLY A 7 11.572 -8.812 -6.306 1.00 0.00 N ATOM 60 CA GLY A 7 10.291 -8.544 -5.674 1.00 0.00 C ATOM 61 C GLY A 7 9.289 -7.981 -6.684 1.00 0.00 C ATOM 62 O GLY A 7 9.192 -8.473 -7.807 1.00 0.00 O ATOM 0 H GLY A 7 12.196 -8.007 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.897 -9.462 -5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.426 -7.836 -4.856 1.00 0.00 H new ATOM 66 N GLU A 8 8.568 -6.959 -6.247 1.00 0.00 N ATOM 67 CA GLU A 8 7.577 -6.324 -7.099 1.00 0.00 C ATOM 68 C GLU A 8 7.046 -5.050 -6.438 1.00 0.00 C ATOM 69 O GLU A 8 6.624 -5.076 -5.283 1.00 0.00 O ATOM 70 CB GLU A 8 6.435 -7.289 -7.425 1.00 0.00 C ATOM 71 CG GLU A 8 6.461 -7.692 -8.901 1.00 0.00 C ATOM 72 CD GLU A 8 5.659 -8.974 -9.134 1.00 0.00 C ATOM 73 OE1 GLU A 8 6.053 -10.004 -8.545 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.671 -8.895 -9.895 1.00 0.00 O ATOM 0 H GLU A 8 8.650 -6.555 -5.314 1.00 0.00 H new ATOM 0 HA GLU A 8 8.057 -6.050 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.516 -8.178 -6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.480 -6.820 -7.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.050 -6.886 -9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.492 -7.840 -9.223 1.00 0.00 H new ATOM 81 N VAL A 9 7.084 -3.967 -7.200 1.00 0.00 N ATOM 82 CA VAL A 9 6.612 -2.686 -6.702 1.00 0.00 C ATOM 83 C VAL A 9 5.529 -2.147 -7.639 1.00 0.00 C ATOM 84 O VAL A 9 5.704 -2.140 -8.857 1.00 0.00 O ATOM 85 CB VAL A 9 7.790 -1.724 -6.535 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.300 -0.296 -6.283 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.723 -2.189 -5.415 1.00 0.00 C ATOM 0 H VAL A 9 7.434 -3.950 -8.158 1.00 0.00 H new ATOM 0 HA VAL A 9 6.161 -2.802 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 9 8.358 -1.724 -7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.157 0.368 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.695 0.035 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.698 -0.273 -5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.552 -1.488 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.171 -2.232 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 9 9.112 -3.179 -5.653 1.00 0.00 H new ATOM 97 N ARG A 10 4.433 -1.710 -7.036 1.00 0.00 N ATOM 98 CA ARG A 10 3.322 -1.171 -7.801 1.00 0.00 C ATOM 99 C ARG A 10 3.432 0.352 -7.897 1.00 0.00 C ATOM 100 O ARG A 10 4.237 0.965 -7.197 1.00 0.00 O ATOM 101 CB ARG A 10 1.982 -1.539 -7.161 1.00 0.00 C ATOM 102 CG ARG A 10 1.820 -0.859 -5.800 1.00 0.00 C ATOM 103 CD ARG A 10 0.634 -1.447 -5.031 1.00 0.00 C ATOM 104 NE ARG A 10 1.106 -2.082 -3.781 1.00 0.00 N ATOM 105 CZ ARG A 10 0.298 -2.646 -2.873 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.027 -2.657 -3.071 1.00 0.00 N ATOM 107 NH2 ARG A 10 0.815 -3.199 -1.768 1.00 0.00 N ATOM 0 H ARG A 10 4.291 -1.718 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 10 3.366 -1.606 -8.800 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.166 -1.241 -7.820 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.917 -2.620 -7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.733 -0.982 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.673 0.212 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.086 -0.662 -4.800 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.117 -2.181 -5.649 1.00 0.00 H new ATOM 0 HE ARG A 10 2.110 -2.091 -3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.420 -2.236 -3.913 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.642 -3.086 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.824 -3.191 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.200 -3.628 -1.077 1.00 0.00 H new ATOM 121 N LEU A 11 2.612 0.919 -8.769 1.00 0.00 N ATOM 122 CA LEU A 11 2.607 2.359 -8.965 1.00 0.00 C ATOM 123 C LEU A 11 1.202 2.901 -8.696 1.00 0.00 C ATOM 124 O LEU A 11 0.302 2.736 -9.518 1.00 0.00 O ATOM 125 CB LEU A 11 3.148 2.713 -10.352 1.00 0.00 C ATOM 126 CG LEU A 11 4.626 2.398 -10.596 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.068 2.879 -11.979 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.501 2.975 -9.481 1.00 0.00 C ATOM 0 H LEU A 11 1.946 0.407 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 11 3.277 2.843 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.556 2.182 -11.098 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.991 3.778 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 11 4.752 1.316 -10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.122 2.643 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.474 2.380 -12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.924 3.957 -12.053 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.546 2.737 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.376 4.057 -9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.205 2.542 -8.525 1.00 0.00 H new ATOM 140 N VAL A 12 1.058 3.538 -7.543 1.00 0.00 N ATOM 141 CA VAL A 12 -0.222 4.106 -7.156 1.00 0.00 C ATOM 142 C VAL A 12 -0.236 5.598 -7.492 1.00 0.00 C ATOM 143 O VAL A 12 0.787 6.273 -7.381 1.00 0.00 O ATOM 144 CB VAL A 12 -0.494 3.823 -5.678 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.742 4.568 -5.198 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.620 2.320 -5.421 1.00 0.00 C ATOM 0 H VAL A 12 1.807 3.673 -6.864 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.032 3.640 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 12 0.357 4.190 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.913 4.350 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.598 5.641 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.605 4.245 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.813 2.147 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.444 1.918 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.307 1.823 -5.707 1.00 0.00 H new ATOM 156 N SER A 13 -1.406 6.071 -7.897 1.00 0.00 N ATOM 157 CA SER A 13 -1.566 7.471 -8.249 1.00 0.00 C ATOM 158 C SER A 13 -2.751 8.070 -7.490 1.00 0.00 C ATOM 159 O SER A 13 -3.865 7.554 -7.565 1.00 0.00 O ATOM 160 CB SER A 13 -1.761 7.640 -9.757 1.00 0.00 C ATOM 161 OG SER A 13 -0.943 6.746 -10.505 1.00 0.00 O ATOM 0 H SER A 13 -2.252 5.509 -7.989 1.00 0.00 H new ATOM 0 HA SER A 13 -0.657 8.001 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.808 7.470 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.528 8.667 -10.040 1.00 0.00 H new ATOM 0 HG SER A 13 -1.098 6.884 -11.463 1.00 0.00 H new ATOM 167 N LEU A 14 -2.471 9.150 -6.776 1.00 0.00 N ATOM 168 CA LEU A 14 -3.501 9.824 -6.003 1.00 0.00 C ATOM 169 C LEU A 14 -3.536 11.304 -6.391 1.00 0.00 C ATOM 170 O LEU A 14 -2.492 11.939 -6.525 1.00 0.00 O ATOM 171 CB LEU A 14 -3.290 9.586 -4.507 1.00 0.00 C ATOM 172 CG LEU A 14 -3.861 8.280 -3.948 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.368 8.191 -4.197 1.00 0.00 C ATOM 174 CD2 LEU A 14 -3.114 7.070 -4.512 1.00 0.00 C ATOM 0 H LEU A 14 -1.546 9.575 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.483 9.410 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.219 9.608 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.735 10.417 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.712 8.275 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.749 7.254 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.867 9.028 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.562 8.227 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.539 6.155 -4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.210 7.057 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.060 7.135 -4.242 1.00 0.00 H new ATOM 186 N ARG A 15 -4.749 11.809 -6.560 1.00 0.00 N ATOM 187 CA ARG A 15 -4.935 13.202 -6.930 1.00 0.00 C ATOM 188 C ARG A 15 -5.877 13.892 -5.942 1.00 0.00 C ATOM 189 O ARG A 15 -6.832 13.285 -5.461 1.00 0.00 O ATOM 190 CB ARG A 15 -5.510 13.325 -8.343 1.00 0.00 C ATOM 191 CG ARG A 15 -4.434 13.771 -9.335 1.00 0.00 C ATOM 192 CD ARG A 15 -4.633 15.234 -9.737 1.00 0.00 C ATOM 193 NE ARG A 15 -4.295 15.417 -11.166 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.921 14.791 -12.172 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.922 13.939 -11.911 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.548 15.018 -13.439 1.00 0.00 N ATOM 0 H ARG A 15 -5.613 11.279 -6.448 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.958 13.685 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.924 12.366 -8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.331 14.042 -8.344 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.448 13.643 -8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.467 13.138 -10.222 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.666 15.531 -9.558 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.005 15.878 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.538 16.060 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.207 13.767 -10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.399 13.462 -12.676 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.787 15.668 -13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.025 14.541 -14.204 1.00 0.00 H new ATOM 210 N ARG A 16 -5.575 15.153 -5.668 1.00 0.00 N ATOM 211 CA ARG A 16 -6.383 15.933 -4.746 1.00 0.00 C ATOM 212 C ARG A 16 -7.483 16.678 -5.503 1.00 0.00 C ATOM 213 O ARG A 16 -7.300 17.828 -5.899 1.00 0.00 O ATOM 214 CB ARG A 16 -5.525 16.943 -3.981 1.00 0.00 C ATOM 215 CG ARG A 16 -4.801 17.887 -4.944 1.00 0.00 C ATOM 216 CD ARG A 16 -3.286 17.824 -4.737 1.00 0.00 C ATOM 217 NE ARG A 16 -2.654 19.060 -5.249 1.00 0.00 N ATOM 218 CZ ARG A 16 -2.292 19.245 -6.526 1.00 0.00 C ATOM 219 NH1 ARG A 16 -2.497 18.275 -7.428 1.00 0.00 N ATOM 220 NH2 ARG A 16 -1.724 20.399 -6.902 1.00 0.00 N ATOM 0 H ARG A 16 -4.782 15.654 -6.069 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.833 15.242 -4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.154 17.521 -3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.796 16.415 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.043 17.619 -5.972 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.151 18.908 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.060 17.702 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.876 16.956 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.483 19.819 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.929 17.396 -7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.221 18.416 -8.400 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.567 21.137 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.449 20.539 -7.874 1.00 0.00 H new ATOM 234 N ALA A 17 -8.603 15.992 -5.683 1.00 0.00 N ATOM 235 CA ALA A 17 -9.733 16.575 -6.386 1.00 0.00 C ATOM 236 C ALA A 17 -10.751 15.477 -6.704 1.00 0.00 C ATOM 237 O ALA A 17 -11.114 15.279 -7.863 1.00 0.00 O ATOM 238 CB ALA A 17 -9.237 17.292 -7.643 1.00 0.00 C ATOM 0 H ALA A 17 -8.752 15.038 -5.354 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.232 17.317 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.085 17.729 -8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.539 18.080 -7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.733 16.578 -8.294 1.00 0.00 H new ATOM 244 N LYS A 18 -11.182 14.793 -5.655 1.00 0.00 N ATOM 245 CA LYS A 18 -12.151 13.721 -5.808 1.00 0.00 C ATOM 246 C LYS A 18 -12.817 13.445 -4.458 1.00 0.00 C ATOM 247 O LYS A 18 -13.077 12.293 -4.115 1.00 0.00 O ATOM 248 CB LYS A 18 -11.493 12.489 -6.433 1.00 0.00 C ATOM 249 CG LYS A 18 -10.392 11.936 -5.525 1.00 0.00 C ATOM 250 CD LYS A 18 -9.321 11.212 -6.343 1.00 0.00 C ATOM 251 CE LYS A 18 -8.679 12.154 -7.362 1.00 0.00 C ATOM 252 NZ LYS A 18 -9.150 11.838 -8.729 1.00 0.00 N ATOM 0 H LYS A 18 -10.878 14.960 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.941 14.017 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -12.245 11.720 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.072 12.750 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.936 12.751 -4.962 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.826 11.249 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.555 10.816 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.766 10.361 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.925 13.187 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.594 12.065 -7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.200 12.712 -9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.488 11.175 -9.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.094 11.405 -8.679 1.00 0.00 H new ATOM 266 N ALA A 19 -13.073 14.521 -3.729 1.00 0.00 N ATOM 267 CA ALA A 19 -13.703 14.409 -2.425 1.00 0.00 C ATOM 268 C ALA A 19 -12.648 14.027 -1.385 1.00 0.00 C ATOM 269 O ALA A 19 -12.921 13.244 -0.476 1.00 0.00 O ATOM 270 CB ALA A 19 -14.846 13.394 -2.495 1.00 0.00 C ATOM 0 H ALA A 19 -12.855 15.475 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.133 15.364 -2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.319 13.310 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.583 13.726 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.452 12.422 -2.792 1.00 0.00 H new ATOM 276 N HIS A 20 -11.464 14.598 -1.552 1.00 0.00 N ATOM 277 CA HIS A 20 -10.367 14.328 -0.639 1.00 0.00 C ATOM 278 C HIS A 20 -9.186 15.242 -0.970 1.00 0.00 C ATOM 279 O HIS A 20 -8.837 15.413 -2.137 1.00 0.00 O ATOM 280 CB HIS A 20 -9.993 12.844 -0.664 1.00 0.00 C ATOM 281 CG HIS A 20 -9.053 12.466 -1.784 1.00 0.00 C ATOM 282 ND1 HIS A 20 -7.807 13.048 -1.945 1.00 0.00 N ATOM 283 CD2 HIS A 20 -9.189 11.560 -2.794 1.00 0.00 C ATOM 284 CE1 HIS A 20 -7.229 12.509 -3.009 1.00 0.00 C ATOM 285 NE2 HIS A 20 -8.087 11.588 -3.534 1.00 0.00 N ATOM 0 H HIS A 20 -11.241 15.247 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.677 14.549 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.532 12.580 0.288 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -10.904 12.252 -0.752 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -7.403 13.769 -1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -10.048 10.927 -2.963 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.250 12.756 -3.393 1.00 0.00 H new ATOM 293 N GLU A 21 -8.604 15.807 0.078 1.00 0.00 N ATOM 294 CA GLU A 21 -7.470 16.700 -0.087 1.00 0.00 C ATOM 295 C GLU A 21 -6.262 16.173 0.690 1.00 0.00 C ATOM 296 O GLU A 21 -6.162 16.375 1.900 1.00 0.00 O ATOM 297 CB GLU A 21 -7.824 18.123 0.349 1.00 0.00 C ATOM 298 CG GLU A 21 -8.156 19.000 -0.860 1.00 0.00 C ATOM 299 CD GLU A 21 -9.211 20.049 -0.503 1.00 0.00 C ATOM 300 OE1 GLU A 21 -10.280 19.633 -0.008 1.00 0.00 O ATOM 301 OE2 GLU A 21 -8.924 21.244 -0.734 1.00 0.00 O ATOM 0 H GLU A 21 -8.897 15.663 1.044 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.210 16.734 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.675 18.098 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.989 18.557 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.252 19.495 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.520 18.377 -1.677 1.00 0.00 H new ATOM 308 N GLY A 22 -5.375 15.508 -0.036 1.00 0.00 N ATOM 309 CA GLY A 22 -4.178 14.951 0.571 1.00 0.00 C ATOM 310 C GLY A 22 -3.975 13.495 0.146 1.00 0.00 C ATOM 311 O GLY A 22 -3.725 12.629 0.983 1.00 0.00 O ATOM 0 H GLY A 22 -5.461 15.342 -1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.310 15.543 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.255 15.009 1.657 1.00 0.00 H new ATOM 315 N LEU A 23 -4.090 13.270 -1.155 1.00 0.00 N ATOM 316 CA LEU A 23 -3.922 11.934 -1.701 1.00 0.00 C ATOM 317 C LEU A 23 -5.095 11.057 -1.261 1.00 0.00 C ATOM 318 O LEU A 23 -5.857 10.568 -2.094 1.00 0.00 O ATOM 319 CB LEU A 23 -2.553 11.368 -1.320 1.00 0.00 C ATOM 320 CG LEU A 23 -1.488 12.394 -0.927 1.00 0.00 C ATOM 321 CD1 LEU A 23 -0.103 11.748 -0.859 1.00 0.00 C ATOM 322 CD2 LEU A 23 -1.513 13.598 -1.871 1.00 0.00 C ATOM 0 H LEU A 23 -4.297 13.990 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.937 11.963 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.687 10.676 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.176 10.786 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.721 12.763 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.635 12.499 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.110 10.950 -0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.154 11.334 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.747 14.312 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.318 13.265 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.492 14.075 -1.826 1.00 0.00 H new ATOM 334 N GLY A 24 -5.204 10.883 0.048 1.00 0.00 N ATOM 335 CA GLY A 24 -6.271 10.072 0.609 1.00 0.00 C ATOM 336 C GLY A 24 -5.710 8.987 1.531 1.00 0.00 C ATOM 337 O GLY A 24 -6.464 8.200 2.100 1.00 0.00 O ATOM 0 H GLY A 24 -4.571 11.290 0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.960 10.707 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.843 9.610 -0.196 1.00 0.00 H new ATOM 341 N PHE A 25 -4.390 8.981 1.649 1.00 0.00 N ATOM 342 CA PHE A 25 -3.719 8.006 2.491 1.00 0.00 C ATOM 343 C PHE A 25 -2.605 8.663 3.310 1.00 0.00 C ATOM 344 O PHE A 25 -1.825 9.453 2.781 1.00 0.00 O ATOM 345 CB PHE A 25 -3.103 6.960 1.561 1.00 0.00 C ATOM 346 CG PHE A 25 -1.861 7.447 0.812 1.00 0.00 C ATOM 347 CD1 PHE A 25 -0.633 7.334 1.385 1.00 0.00 C ATOM 348 CD2 PHE A 25 -1.985 7.994 -0.427 1.00 0.00 C ATOM 349 CE1 PHE A 25 0.520 7.787 0.690 1.00 0.00 C ATOM 350 CE2 PHE A 25 -0.832 8.447 -1.123 1.00 0.00 C ATOM 351 CZ PHE A 25 0.396 8.333 -0.549 1.00 0.00 C ATOM 0 H PHE A 25 -3.768 9.636 1.175 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.431 7.562 3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.840 6.079 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.853 6.648 0.835 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.534 6.900 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.960 8.084 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.495 7.698 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.931 8.881 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.273 8.676 -1.078 1.00 0.00 H new ATOM 361 N SER A 26 -2.567 8.311 4.586 1.00 0.00 N ATOM 362 CA SER A 26 -1.562 8.856 5.483 1.00 0.00 C ATOM 363 C SER A 26 -0.317 7.966 5.477 1.00 0.00 C ATOM 364 O SER A 26 -0.395 6.786 5.137 1.00 0.00 O ATOM 365 CB SER A 26 -2.109 8.995 6.905 1.00 0.00 C ATOM 366 OG SER A 26 -2.028 10.336 7.380 1.00 0.00 O ATOM 0 H SER A 26 -3.216 7.655 5.021 1.00 0.00 H new ATOM 0 HA SER A 26 -1.291 9.851 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.147 8.665 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.551 8.339 7.574 1.00 0.00 H new ATOM 0 HG SER A 26 -2.389 10.383 8.290 1.00 0.00 H new ATOM 372 N ILE A 27 0.801 8.564 5.859 1.00 0.00 N ATOM 373 CA ILE A 27 2.060 7.840 5.902 1.00 0.00 C ATOM 374 C ILE A 27 2.704 8.026 7.278 1.00 0.00 C ATOM 375 O ILE A 27 2.304 8.905 8.040 1.00 0.00 O ATOM 376 CB ILE A 27 2.962 8.263 4.740 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.418 9.714 4.899 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.271 8.023 3.396 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.928 9.840 4.688 1.00 0.00 C ATOM 0 H ILE A 27 0.862 9.542 6.142 1.00 0.00 H new ATOM 0 HA ILE A 27 1.889 6.772 5.771 1.00 0.00 H new ATOM 0 HB ILE A 27 3.857 7.641 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.893 10.345 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.155 10.075 5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.933 8.332 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.038 6.963 3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.349 8.603 3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.226 10.882 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.450 9.227 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.185 9.501 3.684 1.00 0.00 H new ATOM 391 N ARG A 28 3.689 7.185 7.553 1.00 0.00 N ATOM 392 CA ARG A 28 4.392 7.246 8.824 1.00 0.00 C ATOM 393 C ARG A 28 5.841 6.785 8.652 1.00 0.00 C ATOM 394 O ARG A 28 6.230 6.339 7.574 1.00 0.00 O ATOM 395 CB ARG A 28 3.707 6.370 9.874 1.00 0.00 C ATOM 396 CG ARG A 28 3.406 4.977 9.316 1.00 0.00 C ATOM 397 CD ARG A 28 2.987 4.018 10.431 1.00 0.00 C ATOM 398 NE ARG A 28 3.130 2.617 9.975 1.00 0.00 N ATOM 399 CZ ARG A 28 4.272 1.918 10.040 1.00 0.00 C ATOM 400 NH1 ARG A 28 5.376 2.486 10.543 1.00 0.00 N ATOM 401 NH2 ARG A 28 4.309 0.653 9.602 1.00 0.00 N ATOM 0 H ARG A 28 4.018 6.457 6.918 1.00 0.00 H new ATOM 0 HA ARG A 28 4.375 8.282 9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.346 6.283 10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.780 6.843 10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.613 5.043 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.288 4.587 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.601 4.185 11.316 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.954 4.212 10.719 1.00 0.00 H new ATOM 0 HE ARG A 28 2.308 2.154 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.347 3.450 10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.245 1.955 10.593 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.468 0.221 9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.178 0.121 9.652 1.00 0.00 H new ATOM 415 N GLY A 29 6.599 6.909 9.731 1.00 0.00 N ATOM 416 CA GLY A 29 7.997 6.511 9.713 1.00 0.00 C ATOM 417 C GLY A 29 8.916 7.733 9.765 1.00 0.00 C ATOM 418 O GLY A 29 8.506 8.804 10.212 1.00 0.00 O ATOM 0 H GLY A 29 6.272 7.279 10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.204 5.859 10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.203 5.935 8.811 1.00 0.00 H new ATOM 422 N GLY A 30 10.141 7.532 9.303 1.00 0.00 N ATOM 423 CA GLY A 30 11.122 8.605 9.292 1.00 0.00 C ATOM 424 C GLY A 30 12.517 8.075 9.628 1.00 0.00 C ATOM 425 O GLY A 30 12.658 7.141 10.416 1.00 0.00 O ATOM 0 H GLY A 30 10.477 6.643 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.136 9.080 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.837 9.371 10.013 1.00 0.00 H new ATOM 429 N SER A 31 13.514 8.695 9.013 1.00 0.00 N ATOM 430 CA SER A 31 14.894 8.297 9.237 1.00 0.00 C ATOM 431 C SER A 31 15.291 8.580 10.687 1.00 0.00 C ATOM 432 O SER A 31 16.334 8.122 11.149 1.00 0.00 O ATOM 433 CB SER A 31 15.838 9.022 8.276 1.00 0.00 C ATOM 434 OG SER A 31 17.161 8.496 8.329 1.00 0.00 O ATOM 0 H SER A 31 13.394 9.469 8.360 1.00 0.00 H new ATOM 0 HA SER A 31 14.977 7.227 9.047 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.455 8.938 7.259 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.860 10.084 8.521 1.00 0.00 H new ATOM 0 HG SER A 31 17.303 8.054 9.192 1.00 0.00 H new ATOM 440 N GLU A 32 14.438 9.335 11.364 1.00 0.00 N ATOM 441 CA GLU A 32 14.687 9.685 12.752 1.00 0.00 C ATOM 442 C GLU A 32 14.333 8.511 13.667 1.00 0.00 C ATOM 443 O GLU A 32 14.842 8.413 14.783 1.00 0.00 O ATOM 444 CB GLU A 32 13.911 10.942 13.148 1.00 0.00 C ATOM 445 CG GLU A 32 12.432 10.813 12.779 1.00 0.00 C ATOM 446 CD GLU A 32 11.568 11.732 13.645 1.00 0.00 C ATOM 447 OE1 GLU A 32 11.163 11.270 14.733 1.00 0.00 O ATOM 448 OE2 GLU A 32 11.333 12.876 13.199 1.00 0.00 O ATOM 0 H GLU A 32 13.574 9.714 10.977 1.00 0.00 H new ATOM 0 HA GLU A 32 15.749 9.902 12.867 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.008 11.111 14.220 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.340 11.811 12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.293 11.062 11.727 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.111 9.779 12.907 1.00 0.00 H new ATOM 455 N HIS A 33 13.463 7.649 13.161 1.00 0.00 N ATOM 456 CA HIS A 33 13.034 6.486 13.919 1.00 0.00 C ATOM 457 C HIS A 33 13.826 5.258 13.465 1.00 0.00 C ATOM 458 O HIS A 33 13.617 4.157 13.973 1.00 0.00 O ATOM 459 CB HIS A 33 11.521 6.291 13.806 1.00 0.00 C ATOM 460 CG HIS A 33 10.745 6.803 14.996 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.398 7.112 14.935 1.00 0.00 N ATOM 462 CD2 HIS A 33 11.141 7.055 16.276 1.00 0.00 C ATOM 463 CE1 HIS A 33 9.011 7.532 16.131 1.00 0.00 C ATOM 464 NE2 HIS A 33 10.093 7.496 16.961 1.00 0.00 N ATOM 0 H HIS A 33 13.044 7.733 12.235 1.00 0.00 H new ATOM 0 HA HIS A 33 13.243 6.640 14.978 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.166 6.797 12.908 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.310 5.229 13.677 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.139 6.919 16.667 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.014 7.847 16.401 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.096 7.764 17.945 1.00 0.00 H new ATOM 472 N GLY A 34 14.719 5.488 12.513 1.00 0.00 N ATOM 473 CA GLY A 34 15.543 4.414 11.985 1.00 0.00 C ATOM 474 C GLY A 34 14.757 3.558 10.989 1.00 0.00 C ATOM 475 O GLY A 34 15.246 2.527 10.530 1.00 0.00 O ATOM 0 H GLY A 34 14.890 6.402 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.422 4.833 11.495 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.901 3.789 12.804 1.00 0.00 H new ATOM 479 N VAL A 35 13.552 4.018 10.685 1.00 0.00 N ATOM 480 CA VAL A 35 12.694 3.308 9.752 1.00 0.00 C ATOM 481 C VAL A 35 12.478 4.171 8.507 1.00 0.00 C ATOM 482 O VAL A 35 12.748 5.371 8.524 1.00 0.00 O ATOM 483 CB VAL A 35 11.386 2.915 10.440 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.628 2.535 11.902 1.00 0.00 C ATOM 485 CG2 VAL A 35 10.349 4.034 10.329 1.00 0.00 C ATOM 0 H VAL A 35 13.150 4.873 11.068 1.00 0.00 H new ATOM 0 HA VAL A 35 13.167 2.381 9.428 1.00 0.00 H new ATOM 0 HB VAL A 35 10.989 2.039 9.927 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.682 2.260 12.368 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.315 1.690 11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.060 3.384 12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.429 3.728 10.827 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.735 4.936 10.803 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.143 4.236 9.278 1.00 0.00 H new ATOM 495 N GLY A 36 11.994 3.526 7.456 1.00 0.00 N ATOM 496 CA GLY A 36 11.739 4.219 6.204 1.00 0.00 C ATOM 497 C GLY A 36 10.382 4.926 6.236 1.00 0.00 C ATOM 498 O GLY A 36 10.117 5.728 7.130 1.00 0.00 O ATOM 0 H GLY A 36 11.772 2.531 7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.529 4.948 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.763 3.507 5.379 1.00 0.00 H new ATOM 502 N ILE A 37 9.559 4.603 5.249 1.00 0.00 N ATOM 503 CA ILE A 37 8.237 5.197 5.152 1.00 0.00 C ATOM 504 C ILE A 37 7.207 4.097 4.887 1.00 0.00 C ATOM 505 O ILE A 37 7.521 3.084 4.265 1.00 0.00 O ATOM 506 CB ILE A 37 8.227 6.314 4.107 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.414 7.259 4.302 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.892 7.061 4.116 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.165 8.219 5.467 1.00 0.00 C ATOM 0 H ILE A 37 9.783 3.937 4.509 1.00 0.00 H new ATOM 0 HA ILE A 37 7.962 5.671 6.094 1.00 0.00 H new ATOM 0 HB ILE A 37 8.336 5.861 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.318 6.679 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.585 7.827 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.911 7.850 3.364 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.084 6.365 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.728 7.501 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.024 8.880 5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.275 8.814 5.264 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.019 7.648 6.384 1.00 0.00 H new ATOM 521 N TYR A 38 5.997 4.335 5.373 1.00 0.00 N ATOM 522 CA TYR A 38 4.919 3.377 5.197 1.00 0.00 C ATOM 523 C TYR A 38 3.556 4.040 5.408 1.00 0.00 C ATOM 524 O TYR A 38 3.452 5.042 6.115 1.00 0.00 O ATOM 525 CB TYR A 38 5.124 2.308 6.272 1.00 0.00 C ATOM 526 CG TYR A 38 6.501 1.643 6.233 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.550 2.185 6.948 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.695 0.501 5.483 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.846 1.560 6.911 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.992 -0.125 5.447 1.00 0.00 C ATOM 531 CZ TYR A 38 9.003 0.435 6.163 1.00 0.00 C ATOM 532 OH TYR A 38 10.228 -0.156 6.128 1.00 0.00 O ATOM 0 H TYR A 38 5.740 5.177 5.888 1.00 0.00 H new ATOM 0 HA TYR A 38 4.934 2.964 4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.978 2.761 7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.358 1.541 6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.398 3.078 7.535 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.875 0.077 4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.675 1.975 7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.158 -1.019 4.864 1.00 0.00 H new ATOM 0 HH TYR A 38 10.122 -1.121 5.994 1.00 0.00 H new ATOM 542 N VAL A 39 2.546 3.456 4.782 1.00 0.00 N ATOM 543 CA VAL A 39 1.194 3.977 4.892 1.00 0.00 C ATOM 544 C VAL A 39 0.725 3.863 6.344 1.00 0.00 C ATOM 545 O VAL A 39 1.000 2.868 7.012 1.00 0.00 O ATOM 546 CB VAL A 39 0.272 3.255 3.907 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.174 3.732 4.060 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.760 3.434 2.468 1.00 0.00 C ATOM 0 H VAL A 39 2.636 2.626 4.196 1.00 0.00 H new ATOM 0 HA VAL A 39 1.169 5.033 4.624 1.00 0.00 H new ATOM 0 HB VAL A 39 0.300 2.190 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.809 3.203 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.519 3.529 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.226 4.803 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.087 2.911 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.776 4.495 2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.765 3.023 2.371 1.00 0.00 H new ATOM 558 N SER A 40 0.024 4.896 6.789 1.00 0.00 N ATOM 559 CA SER A 40 -0.486 4.924 8.149 1.00 0.00 C ATOM 560 C SER A 40 -2.003 4.726 8.143 1.00 0.00 C ATOM 561 O SER A 40 -2.539 3.990 8.970 1.00 0.00 O ATOM 562 CB SER A 40 -0.125 6.238 8.845 1.00 0.00 C ATOM 563 OG SER A 40 -1.255 6.838 9.472 1.00 0.00 O ATOM 0 H SER A 40 -0.203 5.720 6.231 1.00 0.00 H new ATOM 0 HA SER A 40 -0.022 4.110 8.705 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.648 6.053 9.591 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.295 6.931 8.116 1.00 0.00 H new ATOM 0 HG SER A 40 -0.983 7.673 9.906 1.00 0.00 H new ATOM 569 N LEU A 41 -2.652 5.396 7.202 1.00 0.00 N ATOM 570 CA LEU A 41 -4.096 5.303 7.078 1.00 0.00 C ATOM 571 C LEU A 41 -4.486 5.422 5.603 1.00 0.00 C ATOM 572 O LEU A 41 -3.791 6.073 4.825 1.00 0.00 O ATOM 573 CB LEU A 41 -4.779 6.333 7.980 1.00 0.00 C ATOM 574 CG LEU A 41 -6.283 6.519 7.766 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.566 7.206 6.429 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.024 5.187 7.895 1.00 0.00 C ATOM 0 H LEU A 41 -2.204 6.006 6.518 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.446 4.330 7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.613 6.045 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.289 7.296 7.834 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.661 7.175 8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.642 7.326 6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.088 8.185 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.170 6.597 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.091 5.347 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.649 4.488 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.861 4.775 8.891 1.00 0.00 H new ATOM 588 N VAL A 42 -5.596 4.783 5.264 1.00 0.00 N ATOM 589 CA VAL A 42 -6.086 4.810 3.896 1.00 0.00 C ATOM 590 C VAL A 42 -7.600 5.031 3.906 1.00 0.00 C ATOM 591 O VAL A 42 -8.342 4.248 4.498 1.00 0.00 O ATOM 592 CB VAL A 42 -5.674 3.529 3.168 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.617 3.235 2.000 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.222 3.611 2.693 1.00 0.00 C ATOM 0 H VAL A 42 -6.170 4.244 5.912 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.640 5.639 3.346 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.749 2.703 3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.302 2.319 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.633 3.112 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.589 4.063 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.955 2.688 2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.110 4.453 2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.566 3.751 3.552 1.00 0.00 H new ATOM 604 N GLU A 43 -8.014 6.102 3.244 1.00 0.00 N ATOM 605 CA GLU A 43 -9.426 6.436 3.169 1.00 0.00 C ATOM 606 C GLU A 43 -10.177 5.385 2.350 1.00 0.00 C ATOM 607 O GLU A 43 -9.674 4.908 1.334 1.00 0.00 O ATOM 608 CB GLU A 43 -9.628 7.835 2.584 1.00 0.00 C ATOM 609 CG GLU A 43 -9.319 8.914 3.623 1.00 0.00 C ATOM 610 CD GLU A 43 -10.515 9.849 3.815 1.00 0.00 C ATOM 611 OE1 GLU A 43 -11.020 10.343 2.784 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.897 10.048 4.988 1.00 0.00 O ATOM 0 H GLU A 43 -7.396 6.749 2.755 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.833 6.439 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.983 7.966 1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.656 7.943 2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.063 8.446 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.450 9.490 3.307 1.00 0.00 H new ATOM 619 N PRO A 44 -11.402 5.046 2.834 1.00 0.00 N ATOM 620 CA PRO A 44 -12.228 4.060 2.158 1.00 0.00 C ATOM 621 C PRO A 44 -12.853 4.646 0.890 1.00 0.00 C ATOM 622 O PRO A 44 -12.837 5.859 0.689 1.00 0.00 O ATOM 623 CB PRO A 44 -13.261 3.638 3.190 1.00 0.00 C ATOM 624 CG PRO A 44 -13.267 4.732 4.245 1.00 0.00 C ATOM 625 CD PRO A 44 -12.030 5.590 4.034 1.00 0.00 C ATOM 0 HA PRO A 44 -11.657 3.199 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.245 3.529 2.735 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.004 2.674 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.170 5.337 4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.265 4.298 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.294 6.639 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.359 5.535 4.891 1.00 0.00 H new ATOM 633 N GLY A 45 -13.390 3.756 0.068 1.00 0.00 N ATOM 634 CA GLY A 45 -14.019 4.169 -1.174 1.00 0.00 C ATOM 635 C GLY A 45 -13.247 5.319 -1.824 1.00 0.00 C ATOM 636 O GLY A 45 -13.835 6.166 -2.495 1.00 0.00 O ATOM 0 H GLY A 45 -13.402 2.750 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.066 3.324 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.046 4.479 -0.980 1.00 0.00 H new ATOM 640 N SER A 46 -11.941 5.312 -1.603 1.00 0.00 N ATOM 641 CA SER A 46 -11.082 6.343 -2.159 1.00 0.00 C ATOM 642 C SER A 46 -10.301 5.788 -3.351 1.00 0.00 C ATOM 643 O SER A 46 -10.427 4.611 -3.687 1.00 0.00 O ATOM 644 CB SER A 46 -10.119 6.888 -1.101 1.00 0.00 C ATOM 645 OG SER A 46 -9.020 6.009 -0.878 1.00 0.00 O ATOM 0 H SER A 46 -11.457 4.608 -1.046 1.00 0.00 H new ATOM 0 HA SER A 46 -11.712 7.166 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.746 7.862 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.657 7.041 -0.165 1.00 0.00 H new ATOM 0 HG SER A 46 -9.030 5.703 0.053 1.00 0.00 H new ATOM 651 N LEU A 47 -9.511 6.661 -3.960 1.00 0.00 N ATOM 652 CA LEU A 47 -8.710 6.272 -5.108 1.00 0.00 C ATOM 653 C LEU A 47 -7.543 5.402 -4.638 1.00 0.00 C ATOM 654 O LEU A 47 -7.221 4.396 -5.270 1.00 0.00 O ATOM 655 CB LEU A 47 -8.277 7.506 -5.901 1.00 0.00 C ATOM 656 CG LEU A 47 -7.433 7.239 -7.149 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.926 5.994 -7.888 1.00 0.00 C ATOM 658 CD2 LEU A 47 -7.396 8.468 -8.059 1.00 0.00 C ATOM 0 H LEU A 47 -9.409 7.636 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.300 5.669 -5.798 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.171 8.053 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.711 8.160 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.409 7.041 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.309 5.827 -8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.858 5.129 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.963 6.138 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.790 8.251 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.410 8.721 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.962 9.309 -7.517 1.00 0.00 H new ATOM 670 N ALA A 48 -6.941 5.819 -3.535 1.00 0.00 N ATOM 671 CA ALA A 48 -5.816 5.090 -2.973 1.00 0.00 C ATOM 672 C ALA A 48 -6.195 3.616 -2.820 1.00 0.00 C ATOM 673 O ALA A 48 -5.644 2.755 -3.504 1.00 0.00 O ATOM 674 CB ALA A 48 -5.406 5.728 -1.645 1.00 0.00 C ATOM 0 H ALA A 48 -7.211 6.653 -3.014 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.954 5.141 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.562 5.181 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.118 6.766 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.245 5.692 -0.950 1.00 0.00 H new ATOM 680 N GLU A 49 -7.134 3.370 -1.918 1.00 0.00 N ATOM 681 CA GLU A 49 -7.593 2.015 -1.665 1.00 0.00 C ATOM 682 C GLU A 49 -7.970 1.329 -2.980 1.00 0.00 C ATOM 683 O GLU A 49 -7.919 0.105 -3.083 1.00 0.00 O ATOM 684 CB GLU A 49 -8.769 2.008 -0.686 1.00 0.00 C ATOM 685 CG GLU A 49 -9.167 0.577 -0.318 1.00 0.00 C ATOM 686 CD GLU A 49 -8.399 0.094 0.914 1.00 0.00 C ATOM 687 OE1 GLU A 49 -7.233 0.521 1.059 1.00 0.00 O ATOM 688 OE2 GLU A 49 -8.995 -0.691 1.683 1.00 0.00 O ATOM 0 H GLU A 49 -7.590 4.087 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.778 1.455 -1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.499 2.558 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.620 2.523 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.239 0.532 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.968 -0.087 -1.159 1.00 0.00 H new ATOM 695 N LYS A 50 -8.341 2.149 -3.953 1.00 0.00 N ATOM 696 CA LYS A 50 -8.727 1.636 -5.257 1.00 0.00 C ATOM 697 C LYS A 50 -7.469 1.314 -6.066 1.00 0.00 C ATOM 698 O LYS A 50 -7.471 0.396 -6.884 1.00 0.00 O ATOM 699 CB LYS A 50 -9.675 2.612 -5.957 1.00 0.00 C ATOM 700 CG LYS A 50 -11.108 2.446 -5.446 1.00 0.00 C ATOM 701 CD LYS A 50 -12.056 3.421 -6.147 1.00 0.00 C ATOM 702 CE LYS A 50 -13.067 4.008 -5.160 1.00 0.00 C ATOM 703 NZ LYS A 50 -14.192 4.639 -5.884 1.00 0.00 N ATOM 0 H LYS A 50 -8.382 3.164 -3.864 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.285 0.706 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.340 3.635 -5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.647 2.443 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.442 1.423 -5.616 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.136 2.616 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.482 4.225 -6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.583 2.907 -6.951 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.443 3.222 -4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.577 4.745 -4.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.869 5.032 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.830 5.402 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.669 3.927 -6.472 1.00 0.00 H new ATOM 717 N GLU A 51 -6.424 2.088 -5.809 1.00 0.00 N ATOM 718 CA GLU A 51 -5.162 1.896 -6.503 1.00 0.00 C ATOM 719 C GLU A 51 -4.430 0.674 -5.945 1.00 0.00 C ATOM 720 O GLU A 51 -3.514 0.152 -6.579 1.00 0.00 O ATOM 721 CB GLU A 51 -4.289 3.149 -6.409 1.00 0.00 C ATOM 722 CG GLU A 51 -4.830 4.263 -7.308 1.00 0.00 C ATOM 723 CD GLU A 51 -4.821 3.835 -8.777 1.00 0.00 C ATOM 724 OE1 GLU A 51 -3.722 3.873 -9.372 1.00 0.00 O ATOM 725 OE2 GLU A 51 -5.912 3.481 -9.272 1.00 0.00 O ATOM 0 H GLU A 51 -6.426 2.849 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.373 1.718 -7.558 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.254 3.495 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.267 2.907 -6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.846 4.518 -7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.226 5.161 -7.184 1.00 0.00 H new ATOM 732 N GLY A 52 -4.860 0.254 -4.764 1.00 0.00 N ATOM 733 CA GLY A 52 -4.257 -0.896 -4.114 1.00 0.00 C ATOM 734 C GLY A 52 -3.638 -0.505 -2.770 1.00 0.00 C ATOM 735 O GLY A 52 -3.455 -1.352 -1.897 1.00 0.00 O ATOM 0 H GLY A 52 -5.619 0.690 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.011 -1.668 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.491 -1.323 -4.761 1.00 0.00 H new ATOM 739 N LEU A 53 -3.334 0.779 -2.647 1.00 0.00 N ATOM 740 CA LEU A 53 -2.740 1.293 -1.424 1.00 0.00 C ATOM 741 C LEU A 53 -3.480 0.710 -0.219 1.00 0.00 C ATOM 742 O LEU A 53 -4.606 0.232 -0.349 1.00 0.00 O ATOM 743 CB LEU A 53 -2.708 2.822 -1.446 1.00 0.00 C ATOM 744 CG LEU A 53 -1.413 3.473 -0.955 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.412 3.634 -2.100 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.700 4.802 -0.253 1.00 0.00 C ATOM 0 H LEU A 53 -3.488 1.478 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.700 0.977 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.894 3.155 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.532 3.192 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.956 2.812 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.499 4.099 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.175 2.655 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.846 4.263 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.763 5.244 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.191 5.482 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.350 4.628 0.604 1.00 0.00 H new ATOM 758 N ARG A 54 -2.818 0.769 0.927 1.00 0.00 N ATOM 759 CA ARG A 54 -3.399 0.253 2.155 1.00 0.00 C ATOM 760 C ARG A 54 -2.368 0.288 3.285 1.00 0.00 C ATOM 761 O ARG A 54 -1.176 0.100 3.049 1.00 0.00 O ATOM 762 CB ARG A 54 -3.894 -1.182 1.969 1.00 0.00 C ATOM 763 CG ARG A 54 -5.299 -1.357 2.549 1.00 0.00 C ATOM 764 CD ARG A 54 -5.238 -1.860 3.992 1.00 0.00 C ATOM 765 NE ARG A 54 -5.570 -3.302 4.040 1.00 0.00 N ATOM 766 CZ ARG A 54 -5.848 -3.972 5.166 1.00 0.00 C ATOM 767 NH1 ARG A 54 -5.837 -3.335 6.345 1.00 0.00 N ATOM 768 NH2 ARG A 54 -6.138 -5.279 5.114 1.00 0.00 N ATOM 0 H ARG A 54 -1.884 1.166 1.031 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.247 0.887 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.901 -1.434 0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.207 -1.874 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.832 -0.407 2.514 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.863 -2.062 1.938 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.242 -1.694 4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.936 -1.297 4.612 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.588 -3.818 3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.617 -2.340 6.385 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.049 -3.845 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.147 -5.764 4.217 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.350 -5.789 5.972 1.00 0.00 H new ATOM 782 N VAL A 55 -2.866 0.529 4.489 1.00 0.00 N ATOM 783 CA VAL A 55 -2.003 0.591 5.657 1.00 0.00 C ATOM 784 C VAL A 55 -1.130 -0.665 5.707 1.00 0.00 C ATOM 785 O VAL A 55 -1.644 -1.780 5.786 1.00 0.00 O ATOM 786 CB VAL A 55 -2.845 0.784 6.920 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.982 0.666 8.178 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.584 2.124 6.886 1.00 0.00 C ATOM 0 H VAL A 55 -3.856 0.684 4.681 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.335 1.450 5.593 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.591 -0.010 6.950 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.605 0.807 9.061 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.522 -0.322 8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.203 1.428 8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.175 2.237 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.861 2.937 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.243 2.154 6.018 1.00 0.00 H new ATOM 798 N GLY A 56 0.175 -0.441 5.660 1.00 0.00 N ATOM 799 CA GLY A 56 1.124 -1.541 5.699 1.00 0.00 C ATOM 800 C GLY A 56 2.159 -1.412 4.579 1.00 0.00 C ATOM 801 O GLY A 56 3.342 -1.677 4.788 1.00 0.00 O ATOM 0 H GLY A 56 0.597 0.485 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.628 -1.557 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.593 -2.488 5.601 1.00 0.00 H new ATOM 805 N ASP A 57 1.675 -1.006 3.414 1.00 0.00 N ATOM 806 CA ASP A 57 2.543 -0.839 2.261 1.00 0.00 C ATOM 807 C ASP A 57 3.800 -0.074 2.680 1.00 0.00 C ATOM 808 O ASP A 57 3.873 0.444 3.793 1.00 0.00 O ATOM 809 CB ASP A 57 1.847 -0.038 1.159 1.00 0.00 C ATOM 810 CG ASP A 57 0.561 -0.665 0.617 1.00 0.00 C ATOM 811 OD1 ASP A 57 -0.109 -1.361 1.411 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.277 -0.435 -0.578 1.00 0.00 O ATOM 0 H ASP A 57 0.693 -0.788 3.244 1.00 0.00 H new ATOM 0 HA ASP A 57 2.795 -1.830 1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.615 0.955 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.545 0.096 0.332 1.00 0.00 H new ATOM 817 N GLN A 58 4.757 -0.026 1.766 1.00 0.00 N ATOM 818 CA GLN A 58 6.007 0.668 2.026 1.00 0.00 C ATOM 819 C GLN A 58 6.306 1.663 0.904 1.00 0.00 C ATOM 820 O GLN A 58 6.688 1.268 -0.196 1.00 0.00 O ATOM 821 CB GLN A 58 7.159 -0.324 2.200 1.00 0.00 C ATOM 822 CG GLN A 58 8.457 0.400 2.564 1.00 0.00 C ATOM 823 CD GLN A 58 9.576 -0.598 2.865 1.00 0.00 C ATOM 824 OE1 GLN A 58 9.539 -1.751 2.467 1.00 0.00 O ATOM 825 NE2 GLN A 58 10.570 -0.094 3.590 1.00 0.00 N ATOM 0 H GLN A 58 4.692 -0.457 0.844 1.00 0.00 H new ATOM 0 HA GLN A 58 5.904 1.223 2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.909 -1.044 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.300 -0.889 1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.757 1.051 1.743 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.291 1.038 3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.539 0.880 3.891 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.364 -0.681 3.845 1.00 0.00 H new ATOM 834 N ILE A 59 6.120 2.936 1.221 1.00 0.00 N ATOM 835 CA ILE A 59 6.365 3.992 0.253 1.00 0.00 C ATOM 836 C ILE A 59 7.862 4.058 -0.055 1.00 0.00 C ATOM 837 O ILE A 59 8.572 4.911 0.476 1.00 0.00 O ATOM 838 CB ILE A 59 5.780 5.317 0.745 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.270 5.201 0.966 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.133 6.460 -0.208 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.523 5.146 -0.369 1.00 0.00 C ATOM 0 H ILE A 59 5.802 3.260 2.135 1.00 0.00 H new ATOM 0 HA ILE A 59 5.855 3.774 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 59 6.230 5.552 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.052 4.305 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.918 6.052 1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.705 7.390 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.217 6.559 -0.272 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.729 6.246 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.452 5.064 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.724 6.055 -0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.860 4.280 -0.939 1.00 0.00 H new ATOM 853 N LEU A 60 8.299 3.147 -0.912 1.00 0.00 N ATOM 854 CA LEU A 60 9.699 3.091 -1.298 1.00 0.00 C ATOM 855 C LEU A 60 10.094 4.413 -1.958 1.00 0.00 C ATOM 856 O LEU A 60 10.994 5.104 -1.481 1.00 0.00 O ATOM 857 CB LEU A 60 9.965 1.863 -2.171 1.00 0.00 C ATOM 858 CG LEU A 60 9.484 0.524 -1.610 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.689 -0.602 -2.626 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.157 0.216 -0.271 1.00 0.00 C ATOM 0 H LEU A 60 7.708 2.441 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 60 10.333 2.971 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.490 2.020 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.038 1.795 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 60 8.413 0.598 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.339 -1.543 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.126 -0.381 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.749 -0.685 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.797 -0.741 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.237 0.169 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.917 1.001 0.446 1.00 0.00 H new ATOM 872 N ARG A 61 9.403 4.725 -3.044 1.00 0.00 N ATOM 873 CA ARG A 61 9.672 5.953 -3.774 1.00 0.00 C ATOM 874 C ARG A 61 8.424 6.837 -3.802 1.00 0.00 C ATOM 875 O ARG A 61 7.327 6.380 -3.484 1.00 0.00 O ATOM 876 CB ARG A 61 10.109 5.655 -5.210 1.00 0.00 C ATOM 877 CG ARG A 61 11.624 5.459 -5.292 1.00 0.00 C ATOM 878 CD ARG A 61 12.016 4.753 -6.592 1.00 0.00 C ATOM 879 NE ARG A 61 11.676 3.315 -6.508 1.00 0.00 N ATOM 880 CZ ARG A 61 11.854 2.441 -7.509 1.00 0.00 C ATOM 881 NH1 ARG A 61 12.369 2.855 -8.675 1.00 0.00 N ATOM 882 NH2 ARG A 61 11.517 1.155 -7.344 1.00 0.00 N ATOM 0 H ARG A 61 8.658 4.150 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 61 10.480 6.474 -3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.603 4.759 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.809 6.475 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.123 6.426 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.965 4.873 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.497 5.210 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.084 4.873 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 61 11.282 2.967 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.625 3.834 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.505 2.191 -9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.125 0.840 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.653 0.490 -8.106 1.00 0.00 H new ATOM 896 N VAL A 62 8.633 8.089 -4.184 1.00 0.00 N ATOM 897 CA VAL A 62 7.539 9.042 -4.257 1.00 0.00 C ATOM 898 C VAL A 62 7.754 9.969 -5.455 1.00 0.00 C ATOM 899 O VAL A 62 8.729 10.719 -5.497 1.00 0.00 O ATOM 900 CB VAL A 62 7.413 9.797 -2.932 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.602 10.736 -2.722 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.090 10.562 -2.860 1.00 0.00 C ATOM 0 H VAL A 62 9.544 8.465 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 62 6.592 8.525 -4.412 1.00 0.00 H new ATOM 0 HB VAL A 62 7.419 9.063 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.488 11.261 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.525 10.157 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.641 11.461 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.026 11.090 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.041 11.281 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.259 9.861 -2.943 1.00 0.00 H new ATOM 912 N ASN A 63 6.830 9.887 -6.400 1.00 0.00 N ATOM 913 CA ASN A 63 6.906 10.709 -7.596 1.00 0.00 C ATOM 914 C ASN A 63 8.063 10.222 -8.471 1.00 0.00 C ATOM 915 O ASN A 63 7.850 9.790 -9.603 1.00 0.00 O ATOM 916 CB ASN A 63 7.167 12.174 -7.241 1.00 0.00 C ATOM 917 CG ASN A 63 6.869 13.088 -8.431 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.754 13.514 -9.156 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.578 13.365 -8.592 1.00 0.00 N ATOM 0 H ASN A 63 6.024 9.263 -6.362 1.00 0.00 H new ATOM 0 HA ASN A 63 5.955 10.629 -8.122 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.547 12.462 -6.392 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.205 12.298 -6.934 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.277 13.967 -9.359 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.889 12.975 -7.949 1.00 0.00 H new ATOM 926 N ASP A 64 9.262 10.308 -7.914 1.00 0.00 N ATOM 927 CA ASP A 64 10.452 9.881 -8.629 1.00 0.00 C ATOM 928 C ASP A 64 11.581 9.630 -7.628 1.00 0.00 C ATOM 929 O ASP A 64 12.279 8.621 -7.715 1.00 0.00 O ATOM 930 CB ASP A 64 10.921 10.958 -9.610 1.00 0.00 C ATOM 931 CG ASP A 64 10.893 10.548 -11.084 1.00 0.00 C ATOM 932 OD1 ASP A 64 10.802 9.326 -11.330 1.00 0.00 O ATOM 933 OD2 ASP A 64 10.963 11.465 -11.930 1.00 0.00 O ATOM 0 H ASP A 64 9.435 10.667 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 64 10.207 8.973 -9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.295 11.841 -9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.939 11.248 -9.348 1.00 0.00 H new ATOM 938 N LYS A 65 11.726 10.565 -6.701 1.00 0.00 N ATOM 939 CA LYS A 65 12.759 10.458 -5.684 1.00 0.00 C ATOM 940 C LYS A 65 12.433 9.286 -4.755 1.00 0.00 C ATOM 941 O LYS A 65 11.276 8.885 -4.637 1.00 0.00 O ATOM 942 CB LYS A 65 12.933 11.791 -4.955 1.00 0.00 C ATOM 943 CG LYS A 65 14.254 11.825 -4.183 1.00 0.00 C ATOM 944 CD LYS A 65 14.479 13.196 -3.541 1.00 0.00 C ATOM 945 CE LYS A 65 15.660 13.159 -2.570 1.00 0.00 C ATOM 946 NZ LYS A 65 15.839 14.477 -1.921 1.00 0.00 N ATOM 0 H LYS A 65 11.145 11.401 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 65 13.725 10.244 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.907 12.609 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.102 11.945 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.248 11.055 -3.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.079 11.595 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.665 13.939 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.578 13.506 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.492 12.394 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.569 12.884 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.645 14.434 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.021 15.199 -2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.977 14.725 -1.395 1.00 0.00 H new ATOM 960 N SER A 66 13.475 8.770 -4.119 1.00 0.00 N ATOM 961 CA SER A 66 13.315 7.653 -3.205 1.00 0.00 C ATOM 962 C SER A 66 13.451 8.136 -1.759 1.00 0.00 C ATOM 963 O SER A 66 14.391 8.857 -1.428 1.00 0.00 O ATOM 964 CB SER A 66 14.337 6.552 -3.495 1.00 0.00 C ATOM 965 OG SER A 66 15.665 6.960 -3.179 1.00 0.00 O ATOM 0 H SER A 66 14.433 9.105 -4.219 1.00 0.00 H new ATOM 0 HA SER A 66 12.319 7.234 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.084 5.662 -2.919 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.283 6.276 -4.548 1.00 0.00 H new ATOM 0 HG SER A 66 16.287 6.229 -3.376 1.00 0.00 H new ATOM 971 N LEU A 67 12.499 7.719 -0.937 1.00 0.00 N ATOM 972 CA LEU A 67 12.502 8.100 0.465 1.00 0.00 C ATOM 973 C LEU A 67 13.227 7.027 1.279 1.00 0.00 C ATOM 974 O LEU A 67 12.736 6.597 2.322 1.00 0.00 O ATOM 975 CB LEU A 67 11.077 8.380 0.946 1.00 0.00 C ATOM 976 CG LEU A 67 10.201 9.209 0.005 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.764 9.292 0.523 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.807 10.594 -0.230 1.00 0.00 C ATOM 0 H LEU A 67 11.721 7.121 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 67 13.050 9.031 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.581 7.426 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.133 8.895 1.905 1.00 0.00 H new ATOM 0 HG LEU A 67 10.166 8.705 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.163 9.887 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.345 8.288 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.759 9.760 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.165 11.163 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.893 11.120 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.796 10.488 -0.676 1.00 0.00 H new ATOM 990 N ALA A 68 14.383 6.626 0.773 1.00 0.00 N ATOM 991 CA ALA A 68 15.181 5.611 1.441 1.00 0.00 C ATOM 992 C ALA A 68 15.174 5.873 2.948 1.00 0.00 C ATOM 993 O ALA A 68 14.469 5.198 3.696 1.00 0.00 O ATOM 994 CB ALA A 68 16.595 5.606 0.856 1.00 0.00 C ATOM 0 H ALA A 68 14.787 6.985 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 68 14.757 4.620 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.193 4.845 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.547 5.386 -0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.054 6.584 1.004 1.00 0.00 H new ATOM 1000 N ARG A 69 15.967 6.856 3.348 1.00 0.00 N ATOM 1001 CA ARG A 69 16.061 7.216 4.753 1.00 0.00 C ATOM 1002 C ARG A 69 15.949 8.733 4.921 1.00 0.00 C ATOM 1003 O ARG A 69 16.958 9.436 4.931 1.00 0.00 O ATOM 1004 CB ARG A 69 17.384 6.740 5.356 1.00 0.00 C ATOM 1005 CG ARG A 69 17.254 5.318 5.908 1.00 0.00 C ATOM 1006 CD ARG A 69 18.443 4.969 6.806 1.00 0.00 C ATOM 1007 NE ARG A 69 18.333 3.566 7.267 1.00 0.00 N ATOM 1008 CZ ARG A 69 19.319 2.898 7.881 1.00 0.00 C ATOM 1009 NH1 ARG A 69 20.494 3.500 8.112 1.00 0.00 N ATOM 1010 NH2 ARG A 69 19.130 1.628 8.265 1.00 0.00 N ATOM 0 H ARG A 69 16.550 7.414 2.724 1.00 0.00 H new ATOM 0 HA ARG A 69 15.239 6.727 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.165 6.769 4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.689 7.417 6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.327 5.227 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.195 4.608 5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 69 19.376 5.109 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 69 18.472 5.641 7.663 1.00 0.00 H new ATOM 0 HE ARG A 69 17.452 3.078 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 69 20.638 4.467 7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 69 21.244 2.991 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.236 1.170 8.090 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.881 1.119 8.732 1.00 0.00 H new ATOM 1024 N VAL A 70 14.713 9.193 5.049 1.00 0.00 N ATOM 1025 CA VAL A 70 14.456 10.613 5.215 1.00 0.00 C ATOM 1026 C VAL A 70 13.412 10.812 6.316 1.00 0.00 C ATOM 1027 O VAL A 70 12.559 9.952 6.530 1.00 0.00 O ATOM 1028 CB VAL A 70 14.041 11.230 3.878 1.00 0.00 C ATOM 1029 CG1 VAL A 70 15.185 11.162 2.865 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.782 10.556 3.331 1.00 0.00 C ATOM 0 H VAL A 70 13.878 8.607 5.041 1.00 0.00 H new ATOM 0 HA VAL A 70 15.362 11.131 5.529 1.00 0.00 H new ATOM 0 HB VAL A 70 13.809 12.281 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.864 11.607 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.045 11.709 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.462 10.121 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.508 11.013 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.974 9.494 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.965 10.680 4.042 1.00 0.00 H new ATOM 1040 N THR A 71 13.512 11.952 6.984 1.00 0.00 N ATOM 1041 CA THR A 71 12.587 12.275 8.056 1.00 0.00 C ATOM 1042 C THR A 71 11.149 12.291 7.533 1.00 0.00 C ATOM 1043 O THR A 71 10.921 12.481 6.340 1.00 0.00 O ATOM 1044 CB THR A 71 13.024 13.605 8.673 1.00 0.00 C ATOM 1045 OG1 THR A 71 13.032 14.512 7.574 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.479 13.581 9.147 1.00 0.00 C ATOM 0 H THR A 71 14.220 12.664 6.803 1.00 0.00 H new ATOM 0 HA THR A 71 12.607 11.516 8.838 1.00 0.00 H new ATOM 0 HB THR A 71 12.373 13.846 9.513 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.303 15.401 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.738 14.549 9.576 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.603 12.804 9.902 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.134 13.373 8.301 1.00 0.00 H new ATOM 1054 N HIS A 72 10.217 12.089 8.453 1.00 0.00 N ATOM 1055 CA HIS A 72 8.807 12.078 8.099 1.00 0.00 C ATOM 1056 C HIS A 72 8.448 13.380 7.381 1.00 0.00 C ATOM 1057 O HIS A 72 7.558 13.399 6.532 1.00 0.00 O ATOM 1058 CB HIS A 72 7.940 11.822 9.333 1.00 0.00 C ATOM 1059 CG HIS A 72 6.517 11.430 9.014 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.424 12.168 9.433 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.021 10.372 8.311 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.324 11.571 8.998 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.696 10.458 8.303 1.00 0.00 N ATOM 0 H HIS A 72 10.410 11.932 9.442 1.00 0.00 H new ATOM 0 HA HIS A 72 8.607 11.258 7.410 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.398 11.033 9.929 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.929 12.721 9.949 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.459 13.026 9.983 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.606 9.596 7.841 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.311 11.907 9.164 1.00 0.00 H new ATOM 1071 N ALA A 73 9.159 14.436 7.748 1.00 0.00 N ATOM 1072 CA ALA A 73 8.926 15.739 7.149 1.00 0.00 C ATOM 1073 C ALA A 73 9.417 15.725 5.700 1.00 0.00 C ATOM 1074 O ALA A 73 8.773 16.288 4.817 1.00 0.00 O ATOM 1075 CB ALA A 73 9.615 16.817 7.988 1.00 0.00 C ATOM 0 H ALA A 73 9.896 14.416 8.452 1.00 0.00 H new ATOM 0 HA ALA A 73 7.861 15.969 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.440 17.795 7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.210 16.805 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.687 16.620 8.024 1.00 0.00 H new ATOM 1081 N GLU A 74 10.555 15.076 5.501 1.00 0.00 N ATOM 1082 CA GLU A 74 11.140 14.981 4.175 1.00 0.00 C ATOM 1083 C GLU A 74 10.192 14.243 3.228 1.00 0.00 C ATOM 1084 O GLU A 74 9.829 14.765 2.175 1.00 0.00 O ATOM 1085 CB GLU A 74 12.507 14.297 4.226 1.00 0.00 C ATOM 1086 CG GLU A 74 13.610 15.299 4.575 1.00 0.00 C ATOM 1087 CD GLU A 74 13.934 16.196 3.378 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.130 15.629 2.281 1.00 0.00 O ATOM 1089 OE2 GLU A 74 13.978 17.427 3.588 1.00 0.00 O ATOM 0 H GLU A 74 11.087 14.611 6.236 1.00 0.00 H new ATOM 0 HA GLU A 74 11.290 15.991 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.490 13.497 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.722 13.835 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.295 15.912 5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.507 14.764 4.887 1.00 0.00 H new ATOM 1096 N ALA A 75 9.818 13.039 3.636 1.00 0.00 N ATOM 1097 CA ALA A 75 8.920 12.223 2.837 1.00 0.00 C ATOM 1098 C ALA A 75 7.651 13.022 2.529 1.00 0.00 C ATOM 1099 O ALA A 75 7.199 13.058 1.385 1.00 0.00 O ATOM 1100 CB ALA A 75 8.621 10.918 3.577 1.00 0.00 C ATOM 0 H ALA A 75 10.121 12.609 4.510 1.00 0.00 H new ATOM 0 HA ALA A 75 9.384 11.960 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.947 10.306 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.551 10.375 3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.152 11.142 4.535 1.00 0.00 H new ATOM 1106 N VAL A 76 7.113 13.642 3.569 1.00 0.00 N ATOM 1107 CA VAL A 76 5.906 14.438 3.423 1.00 0.00 C ATOM 1108 C VAL A 76 6.189 15.619 2.493 1.00 0.00 C ATOM 1109 O VAL A 76 5.348 15.982 1.672 1.00 0.00 O ATOM 1110 CB VAL A 76 5.395 14.869 4.799 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.161 15.765 4.670 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.099 13.653 5.680 1.00 0.00 C ATOM 0 H VAL A 76 7.491 13.609 4.516 1.00 0.00 H new ATOM 0 HA VAL A 76 5.111 13.848 2.966 1.00 0.00 H new ATOM 0 HB VAL A 76 6.182 15.449 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.818 16.057 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.417 16.657 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.368 15.220 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.737 13.988 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.339 13.035 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.010 13.070 5.813 1.00 0.00 H new ATOM 1122 N LYS A 77 7.375 16.187 2.653 1.00 0.00 N ATOM 1123 CA LYS A 77 7.779 17.320 1.838 1.00 0.00 C ATOM 1124 C LYS A 77 7.922 16.871 0.383 1.00 0.00 C ATOM 1125 O LYS A 77 7.935 17.698 -0.527 1.00 0.00 O ATOM 1126 CB LYS A 77 9.042 17.968 2.409 1.00 0.00 C ATOM 1127 CG LYS A 77 8.690 19.027 3.456 1.00 0.00 C ATOM 1128 CD LYS A 77 8.649 20.423 2.832 1.00 0.00 C ATOM 1129 CE LYS A 77 8.425 21.495 3.901 1.00 0.00 C ATOM 1130 NZ LYS A 77 7.755 22.678 3.315 1.00 0.00 N ATOM 0 H LYS A 77 8.070 15.884 3.335 1.00 0.00 H new ATOM 0 HA LYS A 77 7.014 18.096 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.676 17.204 2.859 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.617 18.425 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.723 18.795 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.425 19.006 4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.584 20.618 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.851 20.471 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.818 21.089 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.380 21.789 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.610 23.396 4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.349 23.074 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.835 22.396 2.921 1.00 0.00 H new ATOM 1144 N ALA A 78 8.025 15.561 0.209 1.00 0.00 N ATOM 1145 CA ALA A 78 8.167 14.992 -1.120 1.00 0.00 C ATOM 1146 C ALA A 78 6.825 14.408 -1.566 1.00 0.00 C ATOM 1147 O ALA A 78 6.553 14.310 -2.762 1.00 0.00 O ATOM 1148 CB ALA A 78 9.284 13.946 -1.112 1.00 0.00 C ATOM 0 H ALA A 78 8.013 14.878 0.966 1.00 0.00 H new ATOM 0 HA ALA A 78 8.447 15.762 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.390 13.519 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.222 14.417 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.037 13.155 -0.404 1.00 0.00 H new ATOM 1154 N LEU A 79 6.022 14.035 -0.581 1.00 0.00 N ATOM 1155 CA LEU A 79 4.715 13.463 -0.856 1.00 0.00 C ATOM 1156 C LEU A 79 3.736 14.585 -1.210 1.00 0.00 C ATOM 1157 O LEU A 79 2.687 14.719 -0.582 1.00 0.00 O ATOM 1158 CB LEU A 79 4.254 12.591 0.313 1.00 0.00 C ATOM 1159 CG LEU A 79 4.566 11.097 0.200 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.608 10.440 1.581 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.578 10.400 -0.737 1.00 0.00 C ATOM 0 H LEU A 79 6.251 14.118 0.409 1.00 0.00 H new ATOM 0 HA LEU A 79 4.765 12.798 -1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.713 12.970 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.176 12.709 0.426 1.00 0.00 H new ATOM 0 HG LEU A 79 5.558 10.987 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.831 9.379 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.381 10.914 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.641 10.559 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.822 9.340 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.566 10.517 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.641 10.846 -1.730 1.00 0.00 H new ATOM 1173 N LYS A 80 4.114 15.362 -2.215 1.00 0.00 N ATOM 1174 CA LYS A 80 3.283 16.467 -2.659 1.00 0.00 C ATOM 1175 C LYS A 80 3.922 17.118 -3.888 1.00 0.00 C ATOM 1176 O LYS A 80 4.919 16.621 -4.410 1.00 0.00 O ATOM 1177 CB LYS A 80 3.030 17.444 -1.509 1.00 0.00 C ATOM 1178 CG LYS A 80 4.304 18.212 -1.151 1.00 0.00 C ATOM 1179 CD LYS A 80 4.404 18.434 0.360 1.00 0.00 C ATOM 1180 CE LYS A 80 4.085 19.886 0.723 1.00 0.00 C ATOM 1181 NZ LYS A 80 2.663 20.188 0.448 1.00 0.00 N ATOM 0 H LYS A 80 4.985 15.248 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 80 2.300 16.106 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.245 18.146 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.673 16.898 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.176 17.659 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.310 19.173 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.714 17.766 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.408 18.182 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.303 20.060 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.723 20.559 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.442 21.149 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.486 20.124 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.060 19.504 0.947 1.00 0.00 H new ATOM 1195 N GLY A 81 3.322 18.219 -4.315 1.00 0.00 N ATOM 1196 CA GLY A 81 3.819 18.942 -5.472 1.00 0.00 C ATOM 1197 C GLY A 81 4.094 17.990 -6.638 1.00 0.00 C ATOM 1198 O GLY A 81 3.701 16.825 -6.598 1.00 0.00 O ATOM 0 H GLY A 81 2.495 18.628 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.090 19.694 -5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.734 19.473 -5.208 1.00 0.00 H new ATOM 1202 N SER A 82 4.766 18.521 -7.648 1.00 0.00 N ATOM 1203 CA SER A 82 5.098 17.732 -8.823 1.00 0.00 C ATOM 1204 C SER A 82 3.855 16.998 -9.328 1.00 0.00 C ATOM 1205 O SER A 82 3.521 15.922 -8.835 1.00 0.00 O ATOM 1206 CB SER A 82 6.217 16.734 -8.518 1.00 0.00 C ATOM 1207 OG SER A 82 7.082 16.545 -9.634 1.00 0.00 O ATOM 0 H SER A 82 5.090 19.488 -7.678 1.00 0.00 H new ATOM 0 HA SER A 82 5.454 18.408 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.797 17.089 -7.666 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.781 15.777 -8.231 1.00 0.00 H new ATOM 0 HG SER A 82 7.390 15.615 -9.655 1.00 0.00 H new ATOM 1213 N LYS A 83 3.202 17.610 -10.306 1.00 0.00 N ATOM 1214 CA LYS A 83 2.003 17.027 -10.884 1.00 0.00 C ATOM 1215 C LYS A 83 2.205 15.521 -11.057 1.00 0.00 C ATOM 1216 O LYS A 83 3.334 15.054 -11.194 1.00 0.00 O ATOM 1217 CB LYS A 83 1.627 17.750 -12.179 1.00 0.00 C ATOM 1218 CG LYS A 83 2.690 17.531 -13.257 1.00 0.00 C ATOM 1219 CD LYS A 83 2.108 16.777 -14.455 1.00 0.00 C ATOM 1220 CE LYS A 83 3.214 16.344 -15.420 1.00 0.00 C ATOM 1221 NZ LYS A 83 3.144 17.129 -16.673 1.00 0.00 N ATOM 0 H LYS A 83 3.481 18.503 -10.712 1.00 0.00 H new ATOM 0 HA LYS A 83 1.154 17.160 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.663 17.388 -12.535 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.515 18.817 -11.985 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.084 18.493 -13.585 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.526 16.969 -12.840 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.561 15.901 -14.107 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.393 17.413 -14.977 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.188 16.482 -14.951 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.115 15.282 -15.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.901 16.823 -17.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.221 16.977 -17.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.261 18.139 -16.457 1.00 0.00 H new ATOM 1235 N LYS A 84 1.092 14.802 -11.044 1.00 0.00 N ATOM 1236 CA LYS A 84 1.133 13.357 -11.198 1.00 0.00 C ATOM 1237 C LYS A 84 2.011 12.756 -10.099 1.00 0.00 C ATOM 1238 O LYS A 84 3.214 12.582 -10.287 1.00 0.00 O ATOM 1239 CB LYS A 84 1.575 12.981 -12.613 1.00 0.00 C ATOM 1240 CG LYS A 84 0.994 11.628 -13.028 1.00 0.00 C ATOM 1241 CD LYS A 84 1.549 11.185 -14.383 1.00 0.00 C ATOM 1242 CE LYS A 84 0.530 10.331 -15.141 1.00 0.00 C ATOM 1243 NZ LYS A 84 1.218 9.387 -16.049 1.00 0.00 N ATOM 0 H LYS A 84 0.157 15.193 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 84 0.136 12.933 -11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.252 13.750 -13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.663 12.943 -12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.231 10.879 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.093 11.696 -13.081 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.809 12.061 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.467 10.616 -14.236 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.088 9.779 -14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.138 10.974 -15.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.512 8.815 -16.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.789 9.920 -16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.837 8.761 -15.495 1.00 0.00 H new ATOM 1257 N LEU A 85 1.376 12.457 -8.975 1.00 0.00 N ATOM 1258 CA LEU A 85 2.085 11.879 -7.846 1.00 0.00 C ATOM 1259 C LEU A 85 2.004 10.353 -7.925 1.00 0.00 C ATOM 1260 O LEU A 85 0.973 9.765 -7.604 1.00 0.00 O ATOM 1261 CB LEU A 85 1.558 12.455 -6.531 1.00 0.00 C ATOM 1262 CG LEU A 85 2.099 11.812 -5.252 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.564 11.405 -5.421 1.00 0.00 C ATOM 1264 CD2 LEU A 85 1.894 12.732 -4.047 1.00 0.00 C ATOM 0 H LEU A 85 0.378 12.604 -8.822 1.00 0.00 H new ATOM 0 HA LEU A 85 3.141 12.145 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.790 13.520 -6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.472 12.365 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 85 1.532 10.901 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.924 10.951 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.650 10.687 -6.237 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.163 12.287 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.287 12.251 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.419 13.673 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.830 12.928 -3.916 1.00 0.00 H new ATOM 1276 N VAL A 86 3.106 9.755 -8.356 1.00 0.00 N ATOM 1277 CA VAL A 86 3.173 8.309 -8.481 1.00 0.00 C ATOM 1278 C VAL A 86 3.781 7.719 -7.208 1.00 0.00 C ATOM 1279 O VAL A 86 4.987 7.821 -6.987 1.00 0.00 O ATOM 1280 CB VAL A 86 3.946 7.929 -9.745 1.00 0.00 C ATOM 1281 CG1 VAL A 86 4.319 6.445 -9.734 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.150 8.285 -11.003 1.00 0.00 C ATOM 0 H VAL A 86 3.959 10.246 -8.623 1.00 0.00 H new ATOM 0 HA VAL A 86 2.173 7.888 -8.589 1.00 0.00 H new ATOM 0 HB VAL A 86 4.870 8.507 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.868 6.201 -10.644 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.943 6.233 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.412 5.842 -9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.722 8.004 -11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.202 7.747 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.958 9.358 -11.021 1.00 0.00 H new ATOM 1292 N LEU A 87 2.920 7.114 -6.403 1.00 0.00 N ATOM 1293 CA LEU A 87 3.357 6.507 -5.158 1.00 0.00 C ATOM 1294 C LEU A 87 3.982 5.142 -5.453 1.00 0.00 C ATOM 1295 O LEU A 87 3.376 4.311 -6.127 1.00 0.00 O ATOM 1296 CB LEU A 87 2.204 6.452 -4.154 1.00 0.00 C ATOM 1297 CG LEU A 87 1.457 7.767 -3.917 1.00 0.00 C ATOM 1298 CD1 LEU A 87 2.427 8.949 -3.883 1.00 0.00 C ATOM 1299 CD2 LEU A 87 0.350 7.963 -4.955 1.00 0.00 C ATOM 0 H LEU A 87 1.921 7.031 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 87 4.129 7.116 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.486 5.706 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.596 6.103 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 87 0.977 7.717 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.871 9.871 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.147 8.806 -3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.955 9.014 -4.834 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.165 8.904 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.787 7.984 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.362 7.140 -4.888 1.00 0.00 H new ATOM 1311 N SER A 88 5.186 4.953 -4.933 1.00 0.00 N ATOM 1312 CA SER A 88 5.899 3.703 -5.132 1.00 0.00 C ATOM 1313 C SER A 88 5.822 2.849 -3.865 1.00 0.00 C ATOM 1314 O SER A 88 6.546 3.095 -2.901 1.00 0.00 O ATOM 1315 CB SER A 88 7.359 3.956 -5.513 1.00 0.00 C ATOM 1316 OG SER A 88 7.516 4.167 -6.914 1.00 0.00 O ATOM 0 H SER A 88 5.686 5.645 -4.374 1.00 0.00 H new ATOM 0 HA SER A 88 5.425 3.166 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.729 4.826 -4.971 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.967 3.106 -5.204 1.00 0.00 H new ATOM 0 HG SER A 88 8.403 3.858 -7.194 1.00 0.00 H new ATOM 1322 N VAL A 89 4.938 1.863 -3.907 1.00 0.00 N ATOM 1323 CA VAL A 89 4.757 0.971 -2.774 1.00 0.00 C ATOM 1324 C VAL A 89 5.212 -0.437 -3.161 1.00 0.00 C ATOM 1325 O VAL A 89 5.134 -0.820 -4.327 1.00 0.00 O ATOM 1326 CB VAL A 89 3.303 1.020 -2.297 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.136 2.019 -1.151 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.357 1.347 -3.454 1.00 0.00 C ATOM 0 H VAL A 89 4.339 1.662 -4.708 1.00 0.00 H new ATOM 0 HA VAL A 89 5.372 1.291 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 89 3.040 0.032 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.094 2.035 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.768 1.722 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.426 3.013 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.331 1.376 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.619 2.318 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.446 0.581 -4.224 1.00 0.00 H new ATOM 1338 N TYR A 90 5.678 -1.170 -2.161 1.00 0.00 N ATOM 1339 CA TYR A 90 6.146 -2.528 -2.382 1.00 0.00 C ATOM 1340 C TYR A 90 4.971 -3.497 -2.521 1.00 0.00 C ATOM 1341 O TYR A 90 4.117 -3.575 -1.639 1.00 0.00 O ATOM 1342 CB TYR A 90 6.956 -2.902 -1.139 1.00 0.00 C ATOM 1343 CG TYR A 90 7.415 -4.362 -1.111 1.00 0.00 C ATOM 1344 CD1 TYR A 90 7.511 -5.077 -2.288 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.732 -4.963 0.090 1.00 0.00 C ATOM 1346 CE1 TYR A 90 7.942 -6.450 -2.262 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.164 -6.336 0.115 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.248 -7.012 -1.062 1.00 0.00 C ATOM 1349 OH TYR A 90 8.655 -8.309 -1.038 1.00 0.00 O ATOM 0 H TYR A 90 5.742 -0.849 -1.195 1.00 0.00 H new ATOM 0 HA TYR A 90 6.734 -2.587 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 90 7.832 -2.255 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.354 -2.704 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.263 -4.606 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.656 -4.404 1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.021 -7.021 -3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.416 -6.819 1.048 1.00 0.00 H new ATOM 0 HH TYR A 90 8.840 -8.577 -0.114 1.00 0.00 H new ATOM 1359 N SER A 91 4.964 -4.212 -3.637 1.00 0.00 N ATOM 1360 CA SER A 91 3.907 -5.173 -3.903 1.00 0.00 C ATOM 1361 C SER A 91 4.431 -6.596 -3.700 1.00 0.00 C ATOM 1362 O SER A 91 5.569 -6.899 -4.055 1.00 0.00 O ATOM 1363 CB SER A 91 3.357 -5.007 -5.321 1.00 0.00 C ATOM 1364 OG SER A 91 4.385 -5.088 -6.306 1.00 0.00 O ATOM 0 H SER A 91 5.673 -4.145 -4.367 1.00 0.00 H new ATOM 0 HA SER A 91 3.092 -4.989 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.610 -5.777 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.851 -4.045 -5.403 1.00 0.00 H new ATOM 0 HG SER A 91 3.993 -4.978 -7.198 1.00 0.00 H new ATOM 1370 N ALA A 92 3.575 -7.431 -3.129 1.00 0.00 N ATOM 1371 CA ALA A 92 3.937 -8.815 -2.874 1.00 0.00 C ATOM 1372 C ALA A 92 2.828 -9.732 -3.394 1.00 0.00 C ATOM 1373 O ALA A 92 1.848 -9.262 -3.971 1.00 0.00 O ATOM 1374 CB ALA A 92 4.199 -9.007 -1.379 1.00 0.00 C ATOM 0 H ALA A 92 2.632 -7.176 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 92 4.854 -9.075 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.471 -10.045 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.014 -8.355 -1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.299 -8.758 -0.817 1.00 0.00 H new ATOM 1380 N GLY A 93 3.019 -11.024 -3.172 1.00 0.00 N ATOM 1381 CA GLY A 93 2.047 -12.011 -3.610 1.00 0.00 C ATOM 1382 C GLY A 93 0.664 -11.714 -3.029 1.00 0.00 C ATOM 1383 O GLY A 93 -0.142 -11.027 -3.655 1.00 0.00 O ATOM 0 H GLY A 93 3.833 -11.410 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.994 -12.016 -4.699 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.369 -13.006 -3.301 1.00 0.00 H new ATOM 1387 N ARG A 94 0.431 -12.247 -1.839 1.00 0.00 N ATOM 1388 CA ARG A 94 -0.842 -12.048 -1.166 1.00 0.00 C ATOM 1389 C ARG A 94 -1.191 -10.559 -1.120 1.00 0.00 C ATOM 1390 O ARG A 94 -0.370 -9.737 -0.716 1.00 0.00 O ATOM 1391 CB ARG A 94 -0.802 -12.599 0.261 1.00 0.00 C ATOM 1392 CG ARG A 94 -2.035 -13.458 0.551 1.00 0.00 C ATOM 1393 CD ARG A 94 -3.262 -12.584 0.818 1.00 0.00 C ATOM 1394 NE ARG A 94 -4.177 -13.271 1.757 1.00 0.00 N ATOM 1395 CZ ARG A 94 -3.953 -13.388 3.073 1.00 0.00 C ATOM 1396 NH1 ARG A 94 -2.843 -12.867 3.613 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -4.839 -14.028 3.849 1.00 0.00 N ATOM 0 H ARG A 94 1.102 -12.816 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.603 -12.586 -1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.101 -13.194 0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.753 -11.774 0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.231 -14.117 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.844 -14.096 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.952 -11.625 1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.779 -12.373 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.031 -13.681 1.379 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.168 -12.381 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.673 -12.956 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.683 -14.426 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.669 -14.117 4.851 1.00 0.00 H new ATOM 1411 N ILE A 95 -2.410 -10.256 -1.541 1.00 0.00 N ATOM 1412 CA ILE A 95 -2.878 -8.881 -1.554 1.00 0.00 C ATOM 1413 C ILE A 95 -4.364 -8.849 -1.190 1.00 0.00 C ATOM 1414 O ILE A 95 -5.074 -9.836 -1.375 1.00 0.00 O ATOM 1415 CB ILE A 95 -2.560 -8.219 -2.896 1.00 0.00 C ATOM 1416 CG1 ILE A 95 -2.954 -9.127 -4.063 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -1.089 -7.801 -2.966 1.00 0.00 C ATOM 1418 CD1 ILE A 95 -3.959 -8.432 -4.983 1.00 0.00 C ATOM 0 H ILE A 95 -3.088 -10.940 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.352 -8.293 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.157 -7.311 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.065 -9.402 -4.631 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.386 -10.052 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.889 -7.333 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.874 -7.092 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.455 -8.680 -2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.222 -9.099 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.856 -8.181 -4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.515 -7.521 -5.384 1.00 0.00 H new ATOM 1430 N SER A 96 -4.790 -7.703 -0.678 1.00 0.00 N ATOM 1431 CA SER A 96 -6.178 -7.530 -0.286 1.00 0.00 C ATOM 1432 C SER A 96 -6.558 -8.570 0.769 1.00 0.00 C ATOM 1433 O SER A 96 -6.600 -9.765 0.481 1.00 0.00 O ATOM 1434 CB SER A 96 -7.110 -7.635 -1.495 1.00 0.00 C ATOM 1435 OG SER A 96 -8.048 -6.564 -1.542 1.00 0.00 O ATOM 0 H SER A 96 -4.198 -6.886 -0.526 1.00 0.00 H new ATOM 0 HA SER A 96 -6.291 -6.533 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.518 -7.638 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.645 -8.584 -1.459 1.00 0.00 H new ATOM 0 HG SER A 96 -8.623 -6.667 -2.329 1.00 0.00 H new ATOM 1441 N GLY A 97 -6.826 -8.079 1.970 1.00 0.00 N ATOM 1442 CA GLY A 97 -7.202 -8.951 3.070 1.00 0.00 C ATOM 1443 C GLY A 97 -8.680 -9.336 2.985 1.00 0.00 C ATOM 1444 O GLY A 97 -9.268 -9.322 1.904 1.00 0.00 O ATOM 0 H GLY A 97 -6.790 -7.087 2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.587 -9.851 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.007 -8.450 4.018 1.00 0.00 H new ATOM 1448 N PRO A 98 -9.254 -9.679 4.169 1.00 0.00 N ATOM 1449 CA PRO A 98 -10.653 -10.066 4.238 1.00 0.00 C ATOM 1450 C PRO A 98 -11.567 -8.846 4.109 1.00 0.00 C ATOM 1451 O PRO A 98 -11.092 -7.712 4.064 1.00 0.00 O ATOM 1452 CB PRO A 98 -10.798 -10.778 5.573 1.00 0.00 C ATOM 1453 CG PRO A 98 -9.595 -10.358 6.403 1.00 0.00 C ATOM 1454 CD PRO A 98 -8.589 -9.707 5.468 1.00 0.00 C ATOM 0 HA PRO A 98 -10.949 -10.720 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.729 -10.498 6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.821 -11.859 5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -9.895 -9.661 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.152 -11.222 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.330 -8.702 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -7.661 -10.277 5.426 1.00 0.00 H new ATOM 1462 N SER A 99 -12.862 -9.120 4.054 1.00 0.00 N ATOM 1463 CA SER A 99 -13.847 -8.059 3.931 1.00 0.00 C ATOM 1464 C SER A 99 -15.033 -8.336 4.856 1.00 0.00 C ATOM 1465 O SER A 99 -14.983 -9.250 5.678 1.00 0.00 O ATOM 1466 CB SER A 99 -14.324 -7.915 2.484 1.00 0.00 C ATOM 1467 OG SER A 99 -14.343 -6.555 2.061 1.00 0.00 O ATOM 0 H SER A 99 -13.252 -10.062 4.092 1.00 0.00 H new ATOM 0 HA SER A 99 -13.377 -7.120 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.670 -8.490 1.828 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.324 -8.338 2.388 1.00 0.00 H new ATOM 0 HG SER A 99 -14.651 -6.506 1.132 1.00 0.00 H new ATOM 1473 N SER A 100 -16.072 -7.531 4.691 1.00 0.00 N ATOM 1474 CA SER A 100 -17.269 -7.678 5.501 1.00 0.00 C ATOM 1475 C SER A 100 -18.500 -7.251 4.699 1.00 0.00 C ATOM 1476 O SER A 100 -19.473 -7.998 4.603 1.00 0.00 O ATOM 1477 CB SER A 100 -17.166 -6.860 6.790 1.00 0.00 C ATOM 1478 OG SER A 100 -16.969 -5.474 6.528 1.00 0.00 O ATOM 0 H SER A 100 -16.110 -6.774 4.008 1.00 0.00 H new ATOM 0 HA SER A 100 -17.369 -8.728 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.075 -6.992 7.377 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.339 -7.236 7.393 1.00 0.00 H new ATOM 0 HG SER A 100 -16.910 -4.986 7.376 1.00 0.00 H new ATOM 1484 N GLY A 101 -18.418 -6.051 4.143 1.00 0.00 N ATOM 1485 CA GLY A 101 -19.513 -5.516 3.353 1.00 0.00 C ATOM 1486 C GLY A 101 -19.388 -5.938 1.887 1.00 0.00 C ATOM 1487 O GLY A 101 -19.680 -5.155 0.985 1.00 0.00 O ATOM 0 H GLY A 101 -17.610 -5.434 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -20.463 -5.867 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -19.519 -4.428 3.423 1.00 0.00 H new TER 1491 GLY A 101