USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 534 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.0856 USER MOD Single : A 3 SER OG : rot -55:sc= 0.0344 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.322 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 89:sc= 0.0297 USER MOD Single : A 13 THR OG1 : rot 168:sc= 1.2 USER MOD Single : A 15 GLN : amide:sc= -0.0846 X(o=-0.085,f=-0.022) USER MOD Single : A 17 TYR OH : rot -146:sc= 1.29 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 31:sc= 0.632 USER MOD Single : A 20 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.76) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -141:sc= 0.0451 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -2.39 K(o=-2.4,f=-10!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0473 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.961 25.597 -2.947 1.00 0.00 N ATOM 2 CA GLY A 1 -4.706 26.272 -3.226 1.00 0.00 C ATOM 3 C GLY A 1 -3.505 25.485 -2.739 1.00 0.00 C ATOM 4 O GLY A 1 -2.656 26.015 -2.025 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.751 26.174 -3.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.970 24.671 -3.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.061 25.461 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.617 26.438 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.711 27.253 -2.751 1.00 0.00 H new ATOM 8 N SER A 2 -3.435 24.215 -3.126 1.00 0.00 N ATOM 9 CA SER A 2 -2.333 23.351 -2.720 1.00 0.00 C ATOM 10 C SER A 2 -1.964 22.380 -3.837 1.00 0.00 C ATOM 11 O SER A 2 -2.818 21.664 -4.359 1.00 0.00 O ATOM 12 CB SER A 2 -2.705 22.575 -1.455 1.00 0.00 C ATOM 13 OG SER A 2 -2.581 23.389 -0.302 1.00 0.00 O ATOM 0 H SER A 2 -4.129 23.762 -3.720 1.00 0.00 H new ATOM 0 HA SER A 2 -1.468 23.981 -2.510 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.728 22.209 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.061 21.701 -1.358 1.00 0.00 H new ATOM 0 HG SER A 2 -2.495 24.327 -0.572 1.00 0.00 H new ATOM 19 N SER A 3 -0.685 22.363 -4.199 1.00 0.00 N ATOM 20 CA SER A 3 -0.202 21.483 -5.257 1.00 0.00 C ATOM 21 C SER A 3 1.055 20.739 -4.813 1.00 0.00 C ATOM 22 O SER A 3 2.006 20.592 -5.580 1.00 0.00 O ATOM 23 CB SER A 3 0.088 22.286 -6.525 1.00 0.00 C ATOM 24 OG SER A 3 0.126 21.444 -7.665 1.00 0.00 O ATOM 0 H SER A 3 0.035 22.948 -3.775 1.00 0.00 H new ATOM 0 HA SER A 3 -0.981 20.751 -5.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.678 23.050 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.041 22.805 -6.421 1.00 0.00 H new ATOM 0 HG SER A 3 0.775 20.724 -7.519 1.00 0.00 H new ATOM 30 N GLY A 4 1.051 20.272 -3.568 1.00 0.00 N ATOM 31 CA GLY A 4 2.195 19.550 -3.043 1.00 0.00 C ATOM 32 C GLY A 4 2.123 18.063 -3.329 1.00 0.00 C ATOM 33 O GLY A 4 1.665 17.650 -4.395 1.00 0.00 O ATOM 0 H GLY A 4 0.276 20.381 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.108 19.957 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.257 19.707 -1.966 1.00 0.00 H new ATOM 37 N SER A 5 2.578 17.256 -2.376 1.00 0.00 N ATOM 38 CA SER A 5 2.569 15.806 -2.533 1.00 0.00 C ATOM 39 C SER A 5 1.792 15.143 -1.401 1.00 0.00 C ATOM 40 O SER A 5 1.961 15.488 -0.231 1.00 0.00 O ATOM 41 CB SER A 5 4.001 15.267 -2.570 1.00 0.00 C ATOM 42 OG SER A 5 4.716 15.796 -3.672 1.00 0.00 O ATOM 0 H SER A 5 2.958 17.582 -1.487 1.00 0.00 H new ATOM 0 HA SER A 5 2.076 15.570 -3.476 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.514 15.524 -1.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.982 14.179 -2.633 1.00 0.00 H new ATOM 0 HG SER A 5 5.628 15.438 -3.672 1.00 0.00 H new ATOM 48 N SER A 6 0.940 14.186 -1.757 1.00 0.00 N ATOM 49 CA SER A 6 0.133 13.475 -0.772 1.00 0.00 C ATOM 50 C SER A 6 0.564 12.015 -0.670 1.00 0.00 C ATOM 51 O SER A 6 0.484 11.264 -1.640 1.00 0.00 O ATOM 52 CB SER A 6 -1.349 13.558 -1.141 1.00 0.00 C ATOM 53 OG SER A 6 -1.575 13.075 -2.455 1.00 0.00 O ATOM 0 H SER A 6 0.791 13.885 -2.720 1.00 0.00 H new ATOM 0 HA SER A 6 0.285 13.949 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.937 12.977 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.688 14.591 -1.066 1.00 0.00 H new ATOM 0 HG SER A 6 -0.965 12.330 -2.639 1.00 0.00 H new ATOM 59 N GLY A 7 1.020 11.620 0.515 1.00 0.00 N ATOM 60 CA GLY A 7 1.456 10.252 0.724 1.00 0.00 C ATOM 61 C GLY A 7 2.659 10.162 1.642 1.00 0.00 C ATOM 62 O GLY A 7 3.800 10.136 1.180 1.00 0.00 O ATOM 0 H GLY A 7 1.095 12.223 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.635 9.673 1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.702 9.801 -0.237 1.00 0.00 H new ATOM 66 N GLU A 8 2.404 10.112 2.946 1.00 0.00 N ATOM 67 CA GLU A 8 3.476 10.026 3.931 1.00 0.00 C ATOM 68 C GLU A 8 4.595 9.114 3.438 1.00 0.00 C ATOM 69 O GLU A 8 5.774 9.445 3.552 1.00 0.00 O ATOM 70 CB GLU A 8 2.933 9.512 5.265 1.00 0.00 C ATOM 71 CG GLU A 8 2.273 10.589 6.111 1.00 0.00 C ATOM 72 CD GLU A 8 3.275 11.562 6.700 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.420 11.144 6.968 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.913 12.742 6.894 1.00 0.00 O ATOM 0 H GLU A 8 1.465 10.130 3.344 1.00 0.00 H new ATOM 0 HA GLU A 8 3.884 11.027 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.210 8.720 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.750 9.066 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.556 11.137 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.711 10.119 6.918 1.00 0.00 H new ATOM 81 N GLU A 9 4.215 7.963 2.891 1.00 0.00 N ATOM 82 CA GLU A 9 5.186 7.002 2.383 1.00 0.00 C ATOM 83 C GLU A 9 4.574 6.140 1.283 1.00 0.00 C ATOM 84 O GLU A 9 3.449 5.657 1.411 1.00 0.00 O ATOM 85 CB GLU A 9 5.698 6.112 3.518 1.00 0.00 C ATOM 86 CG GLU A 9 6.605 6.838 4.499 1.00 0.00 C ATOM 87 CD GLU A 9 7.084 5.940 5.623 1.00 0.00 C ATOM 88 OE1 GLU A 9 7.647 4.866 5.327 1.00 0.00 O ATOM 89 OE2 GLU A 9 6.897 6.314 6.800 1.00 0.00 O ATOM 0 H GLU A 9 3.242 7.674 2.789 1.00 0.00 H new ATOM 0 HA GLU A 9 6.023 7.558 1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.846 5.702 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.240 5.268 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.467 7.237 3.965 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.070 7.689 4.921 1.00 0.00 H new ATOM 96 N LYS A 10 5.322 5.951 0.202 1.00 0.00 N ATOM 97 CA LYS A 10 4.857 5.147 -0.922 1.00 0.00 C ATOM 98 C LYS A 10 5.594 3.813 -0.980 1.00 0.00 C ATOM 99 O LYS A 10 6.818 3.774 -1.104 1.00 0.00 O ATOM 100 CB LYS A 10 5.053 5.907 -2.236 1.00 0.00 C ATOM 101 CG LYS A 10 4.041 7.018 -2.452 1.00 0.00 C ATOM 102 CD LYS A 10 4.092 7.550 -3.875 1.00 0.00 C ATOM 103 CE LYS A 10 2.907 8.455 -4.175 1.00 0.00 C ATOM 104 NZ LYS A 10 2.972 9.729 -3.405 1.00 0.00 N ATOM 0 H LYS A 10 6.255 6.345 0.080 1.00 0.00 H new ATOM 0 HA LYS A 10 3.795 4.949 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.056 6.332 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.990 5.203 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.039 6.646 -2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.236 7.830 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.020 8.102 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.101 6.716 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.880 8.677 -5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.981 7.932 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.147 10.318 -3.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.972 9.519 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.843 10.240 -3.653 1.00 0.00 H new ATOM 118 N TYR A 11 4.840 2.722 -0.889 1.00 0.00 N ATOM 119 CA TYR A 11 5.423 1.386 -0.931 1.00 0.00 C ATOM 120 C TYR A 11 5.152 0.715 -2.273 1.00 0.00 C ATOM 121 O TYR A 11 4.550 1.309 -3.168 1.00 0.00 O ATOM 122 CB TYR A 11 4.862 0.527 0.204 1.00 0.00 C ATOM 123 CG TYR A 11 5.662 0.617 1.484 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.862 1.838 2.115 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.216 -0.518 2.061 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.593 1.926 3.285 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.947 -0.440 3.231 1.00 0.00 C ATOM 128 CZ TYR A 11 7.133 0.784 3.839 1.00 0.00 C ATOM 129 OH TYR A 11 7.861 0.865 5.003 1.00 0.00 O ATOM 0 H TYR A 11 3.825 2.737 -0.786 1.00 0.00 H new ATOM 0 HA TYR A 11 6.501 1.484 -0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.835 0.831 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.828 -0.513 -0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.439 2.734 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.073 -1.478 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.740 2.883 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.370 -1.333 3.667 1.00 0.00 H new ATOM 0 HH TYR A 11 7.260 0.775 5.772 1.00 0.00 H new ATOM 139 N VAL A 12 5.601 -0.530 -2.406 1.00 0.00 N ATOM 140 CA VAL A 12 5.406 -1.285 -3.639 1.00 0.00 C ATOM 141 C VAL A 12 4.874 -2.684 -3.348 1.00 0.00 C ATOM 142 O VAL A 12 5.261 -3.316 -2.364 1.00 0.00 O ATOM 143 CB VAL A 12 6.717 -1.401 -4.438 1.00 0.00 C ATOM 144 CG1 VAL A 12 6.557 -2.389 -5.585 1.00 0.00 C ATOM 145 CG2 VAL A 12 7.150 -0.037 -4.955 1.00 0.00 C ATOM 0 H VAL A 12 6.102 -1.036 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 12 4.674 -0.738 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 12 7.495 -1.775 -3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.493 -2.458 -6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.298 -3.370 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.765 -2.047 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.078 -0.139 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.375 0.369 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.308 0.638 -4.114 1.00 0.00 H new ATOM 155 N THR A 13 3.984 -3.164 -4.210 1.00 0.00 N ATOM 156 CA THR A 13 3.398 -4.488 -4.046 1.00 0.00 C ATOM 157 C THR A 13 4.161 -5.531 -4.856 1.00 0.00 C ATOM 158 O THR A 13 4.262 -5.431 -6.078 1.00 0.00 O ATOM 159 CB THR A 13 1.919 -4.504 -4.474 1.00 0.00 C ATOM 160 OG1 THR A 13 1.812 -4.250 -5.880 1.00 0.00 O ATOM 161 CG2 THR A 13 1.121 -3.465 -3.703 1.00 0.00 C ATOM 0 H THR A 13 3.653 -2.655 -5.030 1.00 0.00 H new ATOM 0 HA THR A 13 3.465 -4.734 -2.986 1.00 0.00 H new ATOM 0 HB THR A 13 1.511 -5.490 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.903 -4.457 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.079 -3.495 -4.023 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.179 -3.680 -2.636 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.531 -2.474 -3.897 1.00 0.00 H new ATOM 169 N VAL A 14 4.697 -6.533 -4.166 1.00 0.00 N ATOM 170 CA VAL A 14 5.449 -7.596 -4.821 1.00 0.00 C ATOM 171 C VAL A 14 4.529 -8.729 -5.262 1.00 0.00 C ATOM 172 O VAL A 14 4.916 -9.579 -6.064 1.00 0.00 O ATOM 173 CB VAL A 14 6.540 -8.165 -3.894 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.667 -7.159 -3.714 1.00 0.00 C ATOM 175 CG2 VAL A 14 5.945 -8.557 -2.550 1.00 0.00 C ATOM 0 H VAL A 14 4.624 -6.630 -3.153 1.00 0.00 H new ATOM 0 HA VAL A 14 5.922 -7.155 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 14 6.955 -9.060 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.428 -7.579 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.111 -6.932 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.271 -6.244 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.729 -8.957 -1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.502 -7.680 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.177 -9.316 -2.700 1.00 0.00 H new ATOM 185 N GLN A 15 3.311 -8.735 -4.731 1.00 0.00 N ATOM 186 CA GLN A 15 2.336 -9.765 -5.069 1.00 0.00 C ATOM 187 C GLN A 15 0.917 -9.209 -5.016 1.00 0.00 C ATOM 188 O GLN A 15 0.596 -8.335 -4.211 1.00 0.00 O ATOM 189 CB GLN A 15 2.468 -10.955 -4.117 1.00 0.00 C ATOM 190 CG GLN A 15 3.676 -11.831 -4.402 1.00 0.00 C ATOM 191 CD GLN A 15 3.496 -12.688 -5.641 1.00 0.00 C ATOM 192 OE1 GLN A 15 4.230 -12.545 -6.619 1.00 0.00 O ATOM 193 NE2 GLN A 15 2.517 -13.583 -5.605 1.00 0.00 N ATOM 0 H GLN A 15 2.976 -8.039 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 15 2.537 -10.100 -6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.531 -10.585 -3.093 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.566 -11.563 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.556 -11.200 -4.526 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.864 -12.475 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.933 -13.667 -4.773 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.348 -14.187 -6.409 1.00 0.00 H new ATOM 202 N PRO A 16 0.044 -9.728 -5.893 1.00 0.00 N ATOM 203 CA PRO A 16 -1.355 -9.299 -5.964 1.00 0.00 C ATOM 204 C PRO A 16 -2.162 -9.744 -4.750 1.00 0.00 C ATOM 205 O PRO A 16 -1.845 -10.753 -4.117 1.00 0.00 O ATOM 206 CB PRO A 16 -1.873 -9.986 -7.231 1.00 0.00 C ATOM 207 CG PRO A 16 -0.996 -11.177 -7.401 1.00 0.00 C ATOM 208 CD PRO A 16 0.356 -10.774 -6.881 1.00 0.00 C ATOM 0 HA PRO A 16 -1.447 -8.213 -5.983 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.918 -10.276 -7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.812 -9.323 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.387 -12.032 -6.849 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.939 -11.473 -8.448 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.878 -11.615 -6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.997 -10.396 -7.678 1.00 0.00 H new ATOM 216 N TYR A 17 -3.206 -8.989 -4.428 1.00 0.00 N ATOM 217 CA TYR A 17 -4.057 -9.306 -3.287 1.00 0.00 C ATOM 218 C TYR A 17 -5.527 -9.325 -3.693 1.00 0.00 C ATOM 219 O TYR A 17 -5.944 -8.604 -4.600 1.00 0.00 O ATOM 220 CB TYR A 17 -3.840 -8.290 -2.165 1.00 0.00 C ATOM 221 CG TYR A 17 -4.464 -8.699 -0.849 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.883 -9.681 -0.057 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.634 -8.101 -0.399 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.450 -10.057 1.145 1.00 0.00 C ATOM 225 CE2 TYR A 17 -6.208 -8.469 0.803 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.612 -9.449 1.570 1.00 0.00 C ATOM 227 OH TYR A 17 -6.180 -9.820 2.768 1.00 0.00 O ATOM 0 H TYR A 17 -3.484 -8.152 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.785 -10.298 -2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.770 -8.144 -2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.254 -7.329 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.972 -10.159 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.103 -7.335 -0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.986 -10.823 1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.117 -7.993 1.140 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.156 -9.764 2.699 1.00 0.00 H new ATOM 237 N THR A 18 -6.311 -10.158 -3.014 1.00 0.00 N ATOM 238 CA THR A 18 -7.735 -10.273 -3.302 1.00 0.00 C ATOM 239 C THR A 18 -8.574 -9.867 -2.096 1.00 0.00 C ATOM 240 O THR A 18 -8.689 -10.617 -1.126 1.00 0.00 O ATOM 241 CB THR A 18 -8.110 -11.709 -3.714 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.384 -12.087 -4.890 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.604 -11.825 -3.976 1.00 0.00 C ATOM 0 H THR A 18 -5.983 -10.763 -2.261 1.00 0.00 H new ATOM 0 HA THR A 18 -7.946 -9.598 -4.132 1.00 0.00 H new ATOM 0 HB THR A 18 -7.848 -12.378 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.627 -13.002 -5.144 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.844 -12.848 -4.265 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.153 -11.565 -3.071 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.886 -11.145 -4.780 1.00 0.00 H new ATOM 251 N SER A 19 -9.162 -8.677 -2.163 1.00 0.00 N ATOM 252 CA SER A 19 -9.989 -8.170 -1.074 1.00 0.00 C ATOM 253 C SER A 19 -11.359 -8.841 -1.076 1.00 0.00 C ATOM 254 O SER A 19 -12.127 -8.705 -2.028 1.00 0.00 O ATOM 255 CB SER A 19 -10.151 -6.653 -1.193 1.00 0.00 C ATOM 256 OG SER A 19 -10.801 -6.302 -2.403 1.00 0.00 O ATOM 0 H SER A 19 -9.081 -8.046 -2.960 1.00 0.00 H new ATOM 0 HA SER A 19 -9.491 -8.402 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.726 -6.278 -0.346 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.172 -6.175 -1.151 1.00 0.00 H new ATOM 0 HG SER A 19 -11.419 -7.017 -2.662 1.00 0.00 H new ATOM 262 N GLN A 20 -11.657 -9.566 -0.003 1.00 0.00 N ATOM 263 CA GLN A 20 -12.934 -10.259 0.120 1.00 0.00 C ATOM 264 C GLN A 20 -14.060 -9.277 0.427 1.00 0.00 C ATOM 265 O GLN A 20 -15.155 -9.380 -0.125 1.00 0.00 O ATOM 266 CB GLN A 20 -12.858 -11.324 1.216 1.00 0.00 C ATOM 267 CG GLN A 20 -12.178 -12.608 0.770 1.00 0.00 C ATOM 268 CD GLN A 20 -10.751 -12.385 0.309 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.925 -11.847 1.048 1.00 0.00 O ATOM 270 NE2 GLN A 20 -10.453 -12.797 -0.917 1.00 0.00 N ATOM 0 H GLN A 20 -11.032 -9.689 0.794 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.148 -10.743 -0.833 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.320 -10.916 2.071 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.867 -11.556 1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.182 -13.321 1.594 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.752 -13.055 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.169 -13.238 -1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.508 -12.673 -1.281 1.00 0.00 H new ATOM 279 N SER A 21 -13.782 -8.325 1.312 1.00 0.00 N ATOM 280 CA SER A 21 -14.773 -7.325 1.695 1.00 0.00 C ATOM 281 C SER A 21 -14.269 -5.917 1.395 1.00 0.00 C ATOM 282 O SER A 21 -13.081 -5.709 1.150 1.00 0.00 O ATOM 283 CB SER A 21 -15.107 -7.453 3.183 1.00 0.00 C ATOM 284 OG SER A 21 -15.852 -8.632 3.439 1.00 0.00 O ATOM 0 H SER A 21 -12.880 -8.225 1.777 1.00 0.00 H new ATOM 0 HA SER A 21 -15.676 -7.501 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.186 -7.467 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.676 -6.582 3.507 1.00 0.00 H new ATOM 0 HG SER A 21 -16.051 -8.692 4.397 1.00 0.00 H new ATOM 290 N LYS A 22 -15.182 -4.952 1.417 1.00 0.00 N ATOM 291 CA LYS A 22 -14.833 -3.562 1.148 1.00 0.00 C ATOM 292 C LYS A 22 -13.748 -3.079 2.106 1.00 0.00 C ATOM 293 O LYS A 22 -12.954 -2.201 1.766 1.00 0.00 O ATOM 294 CB LYS A 22 -16.071 -2.671 1.273 1.00 0.00 C ATOM 295 CG LYS A 22 -16.758 -2.770 2.624 1.00 0.00 C ATOM 296 CD LYS A 22 -17.662 -1.575 2.877 1.00 0.00 C ATOM 297 CE LYS A 22 -18.736 -1.897 3.906 1.00 0.00 C ATOM 298 NZ LYS A 22 -19.935 -1.028 3.748 1.00 0.00 N ATOM 0 H LYS A 22 -16.170 -5.107 1.618 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.449 -3.500 0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.782 -1.635 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.782 -2.940 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.345 -3.688 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.007 -2.833 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.064 -0.732 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.132 -1.268 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.030 -2.942 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.327 -1.773 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.643 -1.279 4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.660 -0.032 3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.341 -1.165 2.800 1.00 0.00 H new ATOM 312 N ASP A 23 -13.718 -3.659 3.300 1.00 0.00 N ATOM 313 CA ASP A 23 -12.728 -3.289 4.305 1.00 0.00 C ATOM 314 C ASP A 23 -11.314 -3.421 3.749 1.00 0.00 C ATOM 315 O ASP A 23 -10.446 -2.595 4.031 1.00 0.00 O ATOM 316 CB ASP A 23 -12.884 -4.163 5.551 1.00 0.00 C ATOM 317 CG ASP A 23 -14.295 -4.136 6.104 1.00 0.00 C ATOM 318 OD1 ASP A 23 -15.250 -4.214 5.302 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.446 -4.038 7.339 1.00 0.00 O ATOM 0 H ASP A 23 -14.368 -4.387 3.596 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.895 -2.247 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.612 -5.190 5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.189 -3.823 6.319 1.00 0.00 H new ATOM 324 N GLU A 24 -11.089 -4.468 2.960 1.00 0.00 N ATOM 325 CA GLU A 24 -9.779 -4.708 2.367 1.00 0.00 C ATOM 326 C GLU A 24 -9.741 -4.228 0.918 1.00 0.00 C ATOM 327 O GLU A 24 -10.782 -3.990 0.305 1.00 0.00 O ATOM 328 CB GLU A 24 -9.432 -6.197 2.432 1.00 0.00 C ATOM 329 CG GLU A 24 -9.057 -6.674 3.825 1.00 0.00 C ATOM 330 CD GLU A 24 -8.936 -8.183 3.911 1.00 0.00 C ATOM 331 OE1 GLU A 24 -8.438 -8.795 2.943 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.338 -8.752 4.948 1.00 0.00 O ATOM 0 H GLU A 24 -11.796 -5.162 2.717 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.041 -4.144 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.284 -6.776 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.604 -6.398 1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.110 -6.220 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.808 -6.332 4.537 1.00 0.00 H new ATOM 339 N ILE A 25 -8.535 -4.089 0.379 1.00 0.00 N ATOM 340 CA ILE A 25 -8.361 -3.639 -0.996 1.00 0.00 C ATOM 341 C ILE A 25 -7.525 -4.632 -1.798 1.00 0.00 C ATOM 342 O ILE A 25 -6.550 -5.187 -1.295 1.00 0.00 O ATOM 343 CB ILE A 25 -7.690 -2.254 -1.055 1.00 0.00 C ATOM 344 CG1 ILE A 25 -7.830 -1.654 -2.455 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.223 -2.359 -0.663 1.00 0.00 C ATOM 346 CD1 ILE A 25 -7.631 -0.155 -2.492 1.00 0.00 C ATOM 0 H ILE A 25 -7.664 -4.282 0.873 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.357 -3.569 -1.434 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.190 -1.594 -0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.104 -2.125 -3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.820 -1.891 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.762 -1.372 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.145 -2.749 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.710 -3.032 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.745 0.202 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.373 0.326 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.631 0.088 -2.132 1.00 0.00 H new ATOM 358 N GLY A 26 -7.913 -4.847 -3.052 1.00 0.00 N ATOM 359 CA GLY A 26 -7.188 -5.771 -3.904 1.00 0.00 C ATOM 360 C GLY A 26 -6.384 -5.061 -4.976 1.00 0.00 C ATOM 361 O GLY A 26 -6.941 -4.340 -5.805 1.00 0.00 O ATOM 0 H GLY A 26 -8.716 -4.398 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.518 -6.376 -3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.893 -6.455 -4.376 1.00 0.00 H new ATOM 365 N PHE A 27 -5.071 -5.263 -4.959 1.00 0.00 N ATOM 366 CA PHE A 27 -4.189 -4.635 -5.936 1.00 0.00 C ATOM 367 C PHE A 27 -3.366 -5.683 -6.680 1.00 0.00 C ATOM 368 O PHE A 27 -3.328 -6.849 -6.288 1.00 0.00 O ATOM 369 CB PHE A 27 -3.258 -3.637 -5.245 1.00 0.00 C ATOM 370 CG PHE A 27 -2.737 -4.119 -3.921 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.792 -5.131 -3.861 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.192 -3.561 -2.737 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.311 -5.576 -2.644 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.713 -4.002 -1.519 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.773 -5.012 -1.472 1.00 0.00 C ATOM 0 H PHE A 27 -4.594 -5.856 -4.280 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.808 -4.105 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.415 -3.424 -5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.791 -2.698 -5.096 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.428 -5.577 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.929 -2.772 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.574 -6.365 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.074 -3.557 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.400 -5.360 -0.520 1.00 0.00 H new ATOM 385 N GLU A 28 -2.710 -5.258 -7.754 1.00 0.00 N ATOM 386 CA GLU A 28 -1.889 -6.161 -8.554 1.00 0.00 C ATOM 387 C GLU A 28 -0.412 -6.005 -8.207 1.00 0.00 C ATOM 388 O GLU A 28 -0.032 -5.117 -7.442 1.00 0.00 O ATOM 389 CB GLU A 28 -2.106 -5.896 -10.046 1.00 0.00 C ATOM 390 CG GLU A 28 -1.655 -4.515 -10.490 1.00 0.00 C ATOM 391 CD GLU A 28 -1.936 -4.252 -11.956 1.00 0.00 C ATOM 392 OE1 GLU A 28 -3.124 -4.260 -12.342 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.970 -4.039 -12.718 1.00 0.00 O ATOM 0 H GLU A 28 -2.730 -4.295 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.191 -7.183 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.567 -6.648 -10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.164 -6.015 -10.278 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.160 -3.761 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.586 -4.409 -10.304 1.00 0.00 H new ATOM 400 N LYS A 29 0.418 -6.872 -8.775 1.00 0.00 N ATOM 401 CA LYS A 29 1.854 -6.832 -8.528 1.00 0.00 C ATOM 402 C LYS A 29 2.554 -5.918 -9.529 1.00 0.00 C ATOM 403 O LYS A 29 2.430 -6.099 -10.740 1.00 0.00 O ATOM 404 CB LYS A 29 2.447 -8.241 -8.608 1.00 0.00 C ATOM 405 CG LYS A 29 3.924 -8.261 -8.958 1.00 0.00 C ATOM 406 CD LYS A 29 4.448 -9.682 -9.084 1.00 0.00 C ATOM 407 CE LYS A 29 5.969 -9.716 -9.100 1.00 0.00 C ATOM 408 NZ LYS A 29 6.522 -9.177 -10.373 1.00 0.00 N ATOM 0 H LYS A 29 0.120 -7.612 -9.411 1.00 0.00 H new ATOM 0 HA LYS A 29 2.013 -6.434 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.302 -8.742 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.898 -8.815 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.084 -7.729 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.488 -7.731 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.078 -10.282 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.063 -10.133 -9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.354 -9.135 -8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.311 -10.742 -8.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.561 -9.217 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.175 -9.747 -11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.217 -8.190 -10.494 1.00 0.00 H new ATOM 422 N GLY A 30 3.290 -4.937 -9.015 1.00 0.00 N ATOM 423 CA GLY A 30 3.998 -4.011 -9.879 1.00 0.00 C ATOM 424 C GLY A 30 3.339 -2.648 -9.931 1.00 0.00 C ATOM 425 O GLY A 30 3.307 -2.005 -10.982 1.00 0.00 O ATOM 0 H GLY A 30 3.408 -4.767 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.024 -3.902 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.049 -4.425 -10.886 1.00 0.00 H new ATOM 429 N VAL A 31 2.810 -2.203 -8.796 1.00 0.00 N ATOM 430 CA VAL A 31 2.148 -0.907 -8.717 1.00 0.00 C ATOM 431 C VAL A 31 2.611 -0.126 -7.492 1.00 0.00 C ATOM 432 O VAL A 31 3.370 -0.636 -6.667 1.00 0.00 O ATOM 433 CB VAL A 31 0.616 -1.061 -8.663 1.00 0.00 C ATOM 434 CG1 VAL A 31 0.077 -1.516 -10.012 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.217 -2.035 -7.565 1.00 0.00 C ATOM 0 H VAL A 31 2.827 -2.722 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 31 2.420 -0.358 -9.619 1.00 0.00 H new ATOM 0 HB VAL A 31 0.179 -0.090 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.007 -1.619 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.331 -0.778 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.520 -2.477 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.868 -2.132 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.664 -3.009 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.569 -1.663 -6.603 1.00 0.00 H new ATOM 445 N THR A 32 2.150 1.115 -7.378 1.00 0.00 N ATOM 446 CA THR A 32 2.518 1.968 -6.255 1.00 0.00 C ATOM 447 C THR A 32 1.335 2.182 -5.317 1.00 0.00 C ATOM 448 O THR A 32 0.223 2.472 -5.760 1.00 0.00 O ATOM 449 CB THR A 32 3.033 3.338 -6.734 1.00 0.00 C ATOM 450 OG1 THR A 32 4.239 3.173 -7.486 1.00 0.00 O ATOM 451 CG2 THR A 32 3.288 4.263 -5.554 1.00 0.00 C ATOM 0 H THR A 32 1.520 1.552 -8.051 1.00 0.00 H new ATOM 0 HA THR A 32 3.317 1.456 -5.718 1.00 0.00 H new ATOM 0 HB THR A 32 2.269 3.787 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.559 4.049 -7.788 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.651 5.224 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.361 4.411 -5.001 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.035 3.818 -4.897 1.00 0.00 H new ATOM 459 N VAL A 33 1.582 2.036 -4.019 1.00 0.00 N ATOM 460 CA VAL A 33 0.536 2.215 -3.017 1.00 0.00 C ATOM 461 C VAL A 33 0.973 3.197 -1.936 1.00 0.00 C ATOM 462 O VAL A 33 2.134 3.207 -1.526 1.00 0.00 O ATOM 463 CB VAL A 33 0.156 0.876 -2.357 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.414 -0.085 -3.388 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.362 0.268 -1.657 1.00 0.00 C ATOM 0 H VAL A 33 2.496 1.795 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.335 2.615 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.614 1.064 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.677 -1.025 -2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.305 0.352 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.330 -0.272 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.077 -0.678 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.155 0.092 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.720 0.953 -0.888 1.00 0.00 H new ATOM 475 N GLU A 34 0.036 4.022 -1.479 1.00 0.00 N ATOM 476 CA GLU A 34 0.326 5.008 -0.445 1.00 0.00 C ATOM 477 C GLU A 34 -0.098 4.497 0.928 1.00 0.00 C ATOM 478 O GLU A 34 -1.288 4.339 1.204 1.00 0.00 O ATOM 479 CB GLU A 34 -0.386 6.327 -0.754 1.00 0.00 C ATOM 480 CG GLU A 34 0.213 7.082 -1.928 1.00 0.00 C ATOM 481 CD GLU A 34 -0.546 8.354 -2.252 1.00 0.00 C ATOM 482 OE1 GLU A 34 -1.043 9.005 -1.308 1.00 0.00 O ATOM 483 OE2 GLU A 34 -0.642 8.699 -3.448 1.00 0.00 O ATOM 0 H GLU A 34 -0.929 4.027 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 34 1.402 5.179 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.436 6.123 -0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.354 6.963 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.251 7.330 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.221 6.435 -2.805 1.00 0.00 H new ATOM 490 N VAL A 35 0.884 4.240 1.787 1.00 0.00 N ATOM 491 CA VAL A 35 0.613 3.747 3.132 1.00 0.00 C ATOM 492 C VAL A 35 0.164 4.877 4.051 1.00 0.00 C ATOM 493 O VAL A 35 0.961 5.733 4.435 1.00 0.00 O ATOM 494 CB VAL A 35 1.854 3.067 3.741 1.00 0.00 C ATOM 495 CG1 VAL A 35 1.553 2.563 5.144 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.332 1.932 2.848 1.00 0.00 C ATOM 0 H VAL A 35 1.874 4.365 1.575 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.188 3.013 3.045 1.00 0.00 H new ATOM 0 HB VAL A 35 2.653 3.805 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.441 2.086 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.263 3.401 5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.738 1.840 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.209 1.463 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.538 1.192 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.591 2.327 1.866 1.00 0.00 H new ATOM 506 N ILE A 36 -1.117 4.872 4.402 1.00 0.00 N ATOM 507 CA ILE A 36 -1.673 5.897 5.278 1.00 0.00 C ATOM 508 C ILE A 36 -1.268 5.658 6.728 1.00 0.00 C ATOM 509 O ILE A 36 -0.578 6.477 7.334 1.00 0.00 O ATOM 510 CB ILE A 36 -3.210 5.943 5.186 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.648 6.230 3.748 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.765 6.995 6.134 1.00 0.00 C ATOM 513 CD1 ILE A 36 -5.094 5.880 3.476 1.00 0.00 C ATOM 0 H ILE A 36 -1.790 4.170 4.094 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.269 6.852 4.943 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.607 4.971 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.492 7.287 3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.012 5.668 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.852 7.016 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.477 6.751 7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.364 7.973 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.335 6.110 2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.252 4.817 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.739 6.461 4.135 1.00 0.00 H new ATOM 525 N ARG A 37 -1.702 4.529 7.279 1.00 0.00 N ATOM 526 CA ARG A 37 -1.384 4.180 8.659 1.00 0.00 C ATOM 527 C ARG A 37 -0.566 2.894 8.721 1.00 0.00 C ATOM 528 O ARG A 37 -0.375 2.218 7.710 1.00 0.00 O ATOM 529 CB ARG A 37 -2.669 4.021 9.475 1.00 0.00 C ATOM 530 CG ARG A 37 -3.412 5.327 9.702 1.00 0.00 C ATOM 531 CD ARG A 37 -2.641 6.254 10.629 1.00 0.00 C ATOM 532 NE ARG A 37 -3.451 7.388 11.066 1.00 0.00 N ATOM 533 CZ ARG A 37 -2.942 8.486 11.615 1.00 0.00 C ATOM 534 NH1 ARG A 37 -1.633 8.596 11.794 1.00 0.00 N ATOM 535 NH2 ARG A 37 -3.743 9.476 11.988 1.00 0.00 N ATOM 0 H ARG A 37 -2.275 3.840 6.791 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.789 4.988 9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.330 3.321 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.424 3.580 10.441 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.578 5.823 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.394 5.119 10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.301 5.694 11.500 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.751 6.620 10.117 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.462 7.334 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.014 7.837 11.510 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.245 9.440 12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.751 9.395 11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.351 10.318 12.409 1.00 0.00 H new ATOM 549 N LYS A 38 -0.086 2.562 9.914 1.00 0.00 N ATOM 550 CA LYS A 38 0.711 1.357 10.110 1.00 0.00 C ATOM 551 C LYS A 38 0.386 0.700 11.448 1.00 0.00 C ATOM 552 O LYS A 38 0.231 1.380 12.462 1.00 0.00 O ATOM 553 CB LYS A 38 2.203 1.690 10.043 1.00 0.00 C ATOM 554 CG LYS A 38 2.617 2.371 8.750 1.00 0.00 C ATOM 555 CD LYS A 38 4.120 2.584 8.687 1.00 0.00 C ATOM 556 CE LYS A 38 4.571 2.974 7.288 1.00 0.00 C ATOM 557 NZ LYS A 38 4.232 4.389 6.971 1.00 0.00 N ATOM 0 H LYS A 38 -0.235 3.111 10.761 1.00 0.00 H new ATOM 0 HA LYS A 38 0.465 0.656 9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.461 2.336 10.882 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.777 0.771 10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.299 1.766 7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.109 3.332 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.408 3.363 9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.631 1.671 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.648 2.830 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.101 2.315 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.921 4.458 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.467 4.711 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.071 4.987 7.113 1.00 0.00 H new ATOM 571 N ASN A 39 0.285 -0.625 11.443 1.00 0.00 N ATOM 572 CA ASN A 39 -0.021 -1.373 12.657 1.00 0.00 C ATOM 573 C ASN A 39 1.070 -2.395 12.956 1.00 0.00 C ATOM 574 O ASN A 39 1.912 -2.688 12.105 1.00 0.00 O ATOM 575 CB ASN A 39 -1.372 -2.078 12.519 1.00 0.00 C ATOM 576 CG ASN A 39 -1.902 -2.578 13.850 1.00 0.00 C ATOM 577 OD1 ASN A 39 -1.652 -3.718 14.242 1.00 0.00 O ATOM 578 ND2 ASN A 39 -2.639 -1.724 14.551 1.00 0.00 N ATOM 0 H ASN A 39 0.411 -1.203 10.612 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.070 -0.667 13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.094 -1.391 12.079 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.272 -2.918 11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.023 -2.003 15.454 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.821 -0.789 14.187 1.00 0.00 H new ATOM 585 N LEU A 40 1.051 -2.935 14.170 1.00 0.00 N ATOM 586 CA LEU A 40 2.040 -3.926 14.582 1.00 0.00 C ATOM 587 C LEU A 40 1.505 -5.342 14.389 1.00 0.00 C ATOM 588 O LEU A 40 2.198 -6.210 13.863 1.00 0.00 O ATOM 589 CB LEU A 40 2.427 -3.710 16.046 1.00 0.00 C ATOM 590 CG LEU A 40 3.782 -4.278 16.472 1.00 0.00 C ATOM 591 CD1 LEU A 40 4.302 -3.549 17.700 1.00 0.00 C ATOM 592 CD2 LEU A 40 3.672 -5.772 16.743 1.00 0.00 C ATOM 0 H LEU A 40 0.362 -2.704 14.886 1.00 0.00 H new ATOM 0 HA LEU A 40 2.924 -3.803 13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.425 -2.639 16.248 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.655 -4.154 16.675 1.00 0.00 H new ATOM 0 HG LEU A 40 4.491 -4.128 15.658 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.267 -3.966 17.989 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.418 -2.489 17.472 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.595 -3.668 18.521 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.645 -6.160 17.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.949 -5.945 17.540 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.343 -6.283 15.838 1.00 0.00 H new ATOM 604 N GLU A 41 0.266 -5.564 14.818 1.00 0.00 N ATOM 605 CA GLU A 41 -0.362 -6.874 14.691 1.00 0.00 C ATOM 606 C GLU A 41 -0.083 -7.479 13.318 1.00 0.00 C ATOM 607 O GLU A 41 0.290 -8.647 13.207 1.00 0.00 O ATOM 608 CB GLU A 41 -1.871 -6.765 14.914 1.00 0.00 C ATOM 609 CG GLU A 41 -2.252 -6.461 16.354 1.00 0.00 C ATOM 610 CD GLU A 41 -1.989 -5.016 16.734 1.00 0.00 C ATOM 611 OE1 GLU A 41 -2.860 -4.163 16.461 1.00 0.00 O ATOM 612 OE2 GLU A 41 -0.913 -4.740 17.304 1.00 0.00 O ATOM 0 H GLU A 41 -0.322 -4.855 15.256 1.00 0.00 H new ATOM 0 HA GLU A 41 0.064 -7.528 15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.270 -5.983 14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.343 -7.700 14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.308 -6.685 16.502 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.691 -7.116 17.021 1.00 0.00 H new ATOM 619 N GLY A 42 -0.268 -6.677 12.275 1.00 0.00 N ATOM 620 CA GLY A 42 -0.032 -7.151 10.923 1.00 0.00 C ATOM 621 C GLY A 42 -1.002 -6.554 9.923 1.00 0.00 C ATOM 622 O GLY A 42 -1.542 -7.263 9.073 1.00 0.00 O ATOM 0 H GLY A 42 -0.577 -5.707 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.988 -6.904 10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.116 -8.238 10.902 1.00 0.00 H new ATOM 626 N TRP A 43 -1.224 -5.249 10.022 1.00 0.00 N ATOM 627 CA TRP A 43 -2.137 -4.557 9.119 1.00 0.00 C ATOM 628 C TRP A 43 -1.605 -3.174 8.763 1.00 0.00 C ATOM 629 O TRP A 43 -1.283 -2.376 9.643 1.00 0.00 O ATOM 630 CB TRP A 43 -3.522 -4.437 9.756 1.00 0.00 C ATOM 631 CG TRP A 43 -4.416 -5.602 9.459 1.00 0.00 C ATOM 632 CD1 TRP A 43 -5.009 -6.432 10.366 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.817 -6.067 8.165 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.754 -7.386 9.715 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.653 -7.183 8.364 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.552 -5.648 6.859 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.224 -7.883 7.304 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.119 -6.344 5.807 1.00 0.00 C ATOM 639 CH2 TRP A 43 -5.947 -7.450 6.035 1.00 0.00 C ATOM 0 H TRP A 43 -0.784 -4.648 10.719 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.216 -5.142 8.202 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.410 -4.340 10.836 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.999 -3.523 9.402 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.908 -6.351 11.438 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.294 -8.125 10.165 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.915 -4.795 6.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.862 -8.737 7.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.920 -6.029 4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.376 -7.972 5.193 1.00 0.00 H new ATOM 650 N TRP A 44 -1.516 -2.895 7.467 1.00 0.00 N ATOM 651 CA TRP A 44 -1.024 -1.606 6.994 1.00 0.00 C ATOM 652 C TRP A 44 -2.027 -0.953 6.051 1.00 0.00 C ATOM 653 O TRP A 44 -2.228 -1.414 4.927 1.00 0.00 O ATOM 654 CB TRP A 44 0.322 -1.779 6.287 1.00 0.00 C ATOM 655 CG TRP A 44 1.489 -1.791 7.227 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.544 -2.380 8.459 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.769 -1.185 7.013 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.781 -2.177 9.022 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.551 -1.448 8.156 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.331 -0.450 5.967 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.862 -0.998 8.279 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.633 -0.003 6.091 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.388 -0.279 7.240 1.00 0.00 C ATOM 0 H TRP A 44 -1.778 -3.544 6.725 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.891 -0.956 7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.310 -2.711 5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.453 -0.971 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.734 -2.925 8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.078 -2.515 9.938 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.758 -0.235 5.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.444 -1.209 9.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.076 0.569 5.289 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.404 0.083 7.306 1.00 0.00 H new ATOM 674 N TYR A 45 -2.653 0.124 6.513 1.00 0.00 N ATOM 675 CA TYR A 45 -3.638 0.839 5.711 1.00 0.00 C ATOM 676 C TYR A 45 -2.969 1.557 4.541 1.00 0.00 C ATOM 677 O TYR A 45 -2.083 2.389 4.735 1.00 0.00 O ATOM 678 CB TYR A 45 -4.397 1.847 6.575 1.00 0.00 C ATOM 679 CG TYR A 45 -5.813 2.098 6.110 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.701 1.046 5.921 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.264 3.388 5.861 1.00 0.00 C ATOM 682 CE1 TYR A 45 -7.996 1.271 5.494 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.558 3.623 5.436 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.419 2.561 5.253 1.00 0.00 C ATOM 685 OH TYR A 45 -9.709 2.790 4.831 1.00 0.00 O ATOM 0 H TYR A 45 -2.495 0.521 7.439 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.343 0.110 5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.420 1.487 7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.852 2.791 6.580 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.373 0.035 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.592 4.222 6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.672 0.442 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.893 4.632 5.248 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.847 3.752 4.708 1.00 0.00 H new ATOM 695 N ILE A 46 -3.402 1.228 3.329 1.00 0.00 N ATOM 696 CA ILE A 46 -2.848 1.842 2.129 1.00 0.00 C ATOM 697 C ILE A 46 -3.954 2.314 1.192 1.00 0.00 C ATOM 698 O ILE A 46 -5.101 1.878 1.299 1.00 0.00 O ATOM 699 CB ILE A 46 -1.929 0.865 1.369 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.724 -0.356 0.902 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.764 0.441 2.251 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.050 -1.123 -0.215 1.00 0.00 C ATOM 0 H ILE A 46 -4.134 0.540 3.152 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.261 2.700 2.456 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.529 1.372 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.879 -1.024 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.709 -0.032 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.124 -0.249 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.187 1.320 2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.145 -0.052 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.669 -1.975 -0.496 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.919 -0.470 -1.078 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.076 -1.477 0.123 1.00 0.00 H new ATOM 714 N ARG A 47 -3.603 3.207 0.272 1.00 0.00 N ATOM 715 CA ARG A 47 -4.566 3.738 -0.685 1.00 0.00 C ATOM 716 C ARG A 47 -4.162 3.388 -2.114 1.00 0.00 C ATOM 717 O ARG A 47 -3.066 3.727 -2.561 1.00 0.00 O ATOM 718 CB ARG A 47 -4.684 5.255 -0.533 1.00 0.00 C ATOM 719 CG ARG A 47 -5.394 5.930 -1.696 1.00 0.00 C ATOM 720 CD ARG A 47 -5.421 7.442 -1.531 1.00 0.00 C ATOM 721 NE ARG A 47 -5.736 8.123 -2.783 1.00 0.00 N ATOM 722 CZ ARG A 47 -6.140 9.387 -2.850 1.00 0.00 C ATOM 723 NH1 ARG A 47 -6.275 10.103 -1.742 1.00 0.00 N ATOM 724 NH2 ARG A 47 -6.410 9.938 -4.027 1.00 0.00 N ATOM 0 H ARG A 47 -2.658 3.578 0.169 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.535 3.283 -0.479 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.221 5.479 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.686 5.680 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.891 5.674 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.414 5.553 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.160 7.711 -0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.453 7.784 -1.166 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.641 7.600 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.069 9.684 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.585 11.073 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.307 9.391 -4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.720 10.908 -4.077 1.00 0.00 H new ATOM 738 N TYR A 48 -5.053 2.707 -2.826 1.00 0.00 N ATOM 739 CA TYR A 48 -4.789 2.309 -4.203 1.00 0.00 C ATOM 740 C TYR A 48 -6.007 2.561 -5.086 1.00 0.00 C ATOM 741 O TYR A 48 -7.129 2.194 -4.736 1.00 0.00 O ATOM 742 CB TYR A 48 -4.398 0.831 -4.263 1.00 0.00 C ATOM 743 CG TYR A 48 -4.337 0.277 -5.667 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.502 0.843 -6.623 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.113 -0.813 -6.040 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.443 0.341 -7.908 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.060 -1.324 -7.323 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.224 -0.743 -8.253 1.00 0.00 C ATOM 749 OH TYR A 48 -4.167 -1.247 -9.533 1.00 0.00 O ATOM 0 H TYR A 48 -5.965 2.419 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.961 2.912 -4.576 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.425 0.702 -3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.116 0.250 -3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.888 1.691 -6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.770 -1.269 -5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.789 0.794 -8.639 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.669 -2.173 -7.595 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.777 -2.010 -9.612 1.00 0.00 H new ATOM 759 N LEU A 49 -5.776 3.187 -6.235 1.00 0.00 N ATOM 760 CA LEU A 49 -6.854 3.489 -7.171 1.00 0.00 C ATOM 761 C LEU A 49 -7.904 4.384 -6.522 1.00 0.00 C ATOM 762 O LEU A 49 -9.103 4.212 -6.743 1.00 0.00 O ATOM 763 CB LEU A 49 -7.503 2.195 -7.665 1.00 0.00 C ATOM 764 CG LEU A 49 -6.680 1.364 -8.649 1.00 0.00 C ATOM 765 CD1 LEU A 49 -7.348 0.021 -8.903 1.00 0.00 C ATOM 766 CD2 LEU A 49 -6.487 2.121 -9.955 1.00 0.00 C ATOM 0 H LEU A 49 -4.853 3.495 -6.541 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.427 4.021 -8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.732 1.574 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.452 2.446 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.699 1.182 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.748 -0.557 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.434 -0.526 -7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.342 0.182 -9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.899 1.514 -10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.459 2.334 -10.399 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.964 3.057 -9.759 1.00 0.00 H new ATOM 778 N GLY A 50 -7.447 5.341 -5.721 1.00 0.00 N ATOM 779 CA GLY A 50 -8.361 6.251 -5.054 1.00 0.00 C ATOM 780 C GLY A 50 -9.296 5.536 -4.099 1.00 0.00 C ATOM 781 O GLY A 50 -10.444 5.942 -3.923 1.00 0.00 O ATOM 0 H GLY A 50 -6.460 5.503 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.788 6.999 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.948 6.784 -5.802 1.00 0.00 H new ATOM 785 N LYS A 51 -8.804 4.467 -3.481 1.00 0.00 N ATOM 786 CA LYS A 51 -9.602 3.692 -2.539 1.00 0.00 C ATOM 787 C LYS A 51 -8.767 3.274 -1.334 1.00 0.00 C ATOM 788 O LYS A 51 -7.659 2.762 -1.484 1.00 0.00 O ATOM 789 CB LYS A 51 -10.181 2.455 -3.226 1.00 0.00 C ATOM 790 CG LYS A 51 -10.964 1.549 -2.291 1.00 0.00 C ATOM 791 CD LYS A 51 -11.123 0.153 -2.868 1.00 0.00 C ATOM 792 CE LYS A 51 -12.107 0.139 -4.028 1.00 0.00 C ATOM 793 NZ LYS A 51 -11.839 -0.984 -4.970 1.00 0.00 N ATOM 0 H LYS A 51 -7.855 4.118 -3.616 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.420 4.322 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.833 2.773 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.367 1.884 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.454 1.490 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.947 1.980 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.154 -0.215 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.467 -0.527 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.123 0.054 -3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.048 1.086 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.531 -0.959 -5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.879 -0.890 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.920 -1.889 -4.464 1.00 0.00 H new ATOM 807 N GLU A 52 -9.307 3.495 -0.139 1.00 0.00 N ATOM 808 CA GLU A 52 -8.610 3.139 1.092 1.00 0.00 C ATOM 809 C GLU A 52 -9.076 1.781 1.608 1.00 0.00 C ATOM 810 O GLU A 52 -10.274 1.520 1.709 1.00 0.00 O ATOM 811 CB GLU A 52 -8.838 4.210 2.161 1.00 0.00 C ATOM 812 CG GLU A 52 -8.294 5.576 1.781 1.00 0.00 C ATOM 813 CD GLU A 52 -8.971 6.704 2.534 1.00 0.00 C ATOM 814 OE1 GLU A 52 -10.126 7.035 2.192 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.348 7.256 3.464 1.00 0.00 O ATOM 0 H GLU A 52 -10.224 3.918 0.003 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.544 3.078 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.907 4.295 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.370 3.888 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.222 5.604 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.424 5.730 0.710 1.00 0.00 H new ATOM 822 N GLY A 53 -8.119 0.917 1.933 1.00 0.00 N ATOM 823 CA GLY A 53 -8.450 -0.404 2.433 1.00 0.00 C ATOM 824 C GLY A 53 -7.319 -1.022 3.231 1.00 0.00 C ATOM 825 O GLY A 53 -6.201 -0.506 3.237 1.00 0.00 O ATOM 0 H GLY A 53 -7.120 1.109 1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.340 -0.340 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.697 -1.055 1.594 1.00 0.00 H new ATOM 829 N TRP A 54 -7.609 -2.128 3.907 1.00 0.00 N ATOM 830 CA TRP A 54 -6.608 -2.815 4.713 1.00 0.00 C ATOM 831 C TRP A 54 -5.800 -3.791 3.864 1.00 0.00 C ATOM 832 O TRP A 54 -6.357 -4.692 3.238 1.00 0.00 O ATOM 833 CB TRP A 54 -7.277 -3.560 5.869 1.00 0.00 C ATOM 834 CG TRP A 54 -7.565 -2.687 7.052 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.792 -2.385 7.569 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.605 -2.001 7.865 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.655 -1.553 8.653 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.323 -1.303 8.856 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.212 -1.910 7.852 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.690 -0.525 9.822 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.586 -1.138 8.811 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.324 -0.454 9.787 1.00 0.00 C ATOM 0 H TRP A 54 -8.529 -2.568 3.913 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.928 -2.065 5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.210 -4.001 5.516 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.634 -4.383 6.182 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.733 -2.747 7.182 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.420 -1.181 9.216 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.634 -2.434 7.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.258 0.004 10.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.509 -1.060 8.809 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.805 0.140 10.525 1.00 0.00 H new ATOM 853 N ALA A 55 -4.484 -3.603 3.845 1.00 0.00 N ATOM 854 CA ALA A 55 -3.600 -4.468 3.073 1.00 0.00 C ATOM 855 C ALA A 55 -2.511 -5.067 3.956 1.00 0.00 C ATOM 856 O ALA A 55 -2.005 -4.428 4.878 1.00 0.00 O ATOM 857 CB ALA A 55 -2.981 -3.695 1.918 1.00 0.00 C ATOM 0 H ALA A 55 -4.007 -2.860 4.355 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.195 -5.287 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.323 -4.353 1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.770 -3.321 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.405 -2.856 2.309 1.00 0.00 H new ATOM 863 N PRO A 56 -2.139 -6.324 3.668 1.00 0.00 N ATOM 864 CA PRO A 56 -1.106 -7.037 4.425 1.00 0.00 C ATOM 865 C PRO A 56 0.287 -6.466 4.183 1.00 0.00 C ATOM 866 O PRO A 56 0.731 -6.351 3.040 1.00 0.00 O ATOM 867 CB PRO A 56 -1.198 -8.468 3.889 1.00 0.00 C ATOM 868 CG PRO A 56 -1.769 -8.325 2.522 1.00 0.00 C ATOM 869 CD PRO A 56 -2.701 -7.146 2.582 1.00 0.00 C ATOM 0 HA PRO A 56 -1.262 -6.959 5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.218 -8.944 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.835 -9.087 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.982 -8.163 1.786 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.302 -9.229 2.225 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.724 -6.603 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.724 -7.453 2.798 1.00 0.00 H new ATOM 877 N ALA A 57 0.973 -6.111 5.264 1.00 0.00 N ATOM 878 CA ALA A 57 2.316 -5.554 5.168 1.00 0.00 C ATOM 879 C ALA A 57 3.249 -6.498 4.417 1.00 0.00 C ATOM 880 O ALA A 57 4.304 -6.088 3.934 1.00 0.00 O ATOM 881 CB ALA A 57 2.867 -5.261 6.557 1.00 0.00 C ATOM 0 H ALA A 57 0.620 -6.199 6.217 1.00 0.00 H new ATOM 0 HA ALA A 57 2.256 -4.621 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.871 -4.845 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.220 -4.544 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.905 -6.184 7.135 1.00 0.00 H new ATOM 887 N SER A 58 2.852 -7.763 4.321 1.00 0.00 N ATOM 888 CA SER A 58 3.656 -8.767 3.632 1.00 0.00 C ATOM 889 C SER A 58 3.664 -8.515 2.127 1.00 0.00 C ATOM 890 O SER A 58 4.670 -8.742 1.454 1.00 0.00 O ATOM 891 CB SER A 58 3.118 -10.169 3.923 1.00 0.00 C ATOM 892 OG SER A 58 3.287 -10.506 5.289 1.00 0.00 O ATOM 0 H SER A 58 1.979 -8.117 4.711 1.00 0.00 H new ATOM 0 HA SER A 58 4.679 -8.695 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.061 -10.218 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.635 -10.897 3.299 1.00 0.00 H new ATOM 0 HG SER A 58 2.934 -11.406 5.450 1.00 0.00 H new ATOM 898 N TYR A 59 2.536 -8.045 1.607 1.00 0.00 N ATOM 899 CA TYR A 59 2.411 -7.764 0.181 1.00 0.00 C ATOM 900 C TYR A 59 2.815 -6.325 -0.128 1.00 0.00 C ATOM 901 O TYR A 59 2.428 -5.766 -1.156 1.00 0.00 O ATOM 902 CB TYR A 59 0.976 -8.014 -0.286 1.00 0.00 C ATOM 903 CG TYR A 59 0.597 -9.477 -0.320 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.678 -10.263 0.822 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.158 -10.073 -1.496 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.334 -11.601 0.796 1.00 0.00 C ATOM 907 CE2 TYR A 59 -0.190 -11.410 -1.532 1.00 0.00 C ATOM 908 CZ TYR A 59 -0.100 -12.170 -0.384 1.00 0.00 C ATOM 909 OH TYR A 59 -0.445 -13.501 -0.416 1.00 0.00 O ATOM 0 H TYR A 59 1.695 -7.850 2.151 1.00 0.00 H new ATOM 0 HA TYR A 59 3.082 -8.434 -0.356 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.290 -7.485 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.848 -7.591 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.016 -9.820 1.747 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.088 -9.482 -2.397 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.404 -12.198 1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.531 -11.858 -2.454 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.730 -13.743 -1.322 1.00 0.00 H new ATOM 919 N LEU A 60 3.597 -5.732 0.766 1.00 0.00 N ATOM 920 CA LEU A 60 4.056 -4.359 0.591 1.00 0.00 C ATOM 921 C LEU A 60 5.515 -4.214 1.010 1.00 0.00 C ATOM 922 O LEU A 60 5.930 -4.734 2.046 1.00 0.00 O ATOM 923 CB LEU A 60 3.184 -3.400 1.403 1.00 0.00 C ATOM 924 CG LEU A 60 1.674 -3.638 1.326 1.00 0.00 C ATOM 925 CD1 LEU A 60 0.960 -2.901 2.448 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.135 -3.204 -0.029 1.00 0.00 C ATOM 0 H LEU A 60 3.927 -6.181 1.620 1.00 0.00 H new ATOM 0 HA LEU A 60 3.974 -4.108 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.488 -3.460 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.389 -2.383 1.069 1.00 0.00 H new ATOM 0 HG LEU A 60 1.486 -4.705 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.113 -3.082 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.326 -3.260 3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.154 -1.832 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.060 -3.380 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.334 -2.143 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.624 -3.778 -0.816 1.00 0.00 H new ATOM 938 N LYS A 61 6.292 -3.503 0.199 1.00 0.00 N ATOM 939 CA LYS A 61 7.704 -3.286 0.486 1.00 0.00 C ATOM 940 C LYS A 61 8.081 -1.822 0.287 1.00 0.00 C ATOM 941 O LYS A 61 7.717 -1.207 -0.715 1.00 0.00 O ATOM 942 CB LYS A 61 8.570 -4.173 -0.412 1.00 0.00 C ATOM 943 CG LYS A 61 8.643 -3.694 -1.851 1.00 0.00 C ATOM 944 CD LYS A 61 9.618 -4.527 -2.667 1.00 0.00 C ATOM 945 CE LYS A 61 9.818 -3.946 -4.059 1.00 0.00 C ATOM 946 NZ LYS A 61 10.704 -4.803 -4.895 1.00 0.00 N ATOM 0 H LYS A 61 5.966 -3.067 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 61 7.882 -3.550 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.579 -4.217 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.174 -5.189 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.652 -3.745 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.950 -2.648 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.577 -4.576 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.247 -5.549 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.851 -3.836 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.249 -2.948 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.816 -4.373 -5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.635 -4.887 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.280 -5.748 -4.994 1.00 0.00 H new ATOM 960 N LYS A 62 8.814 -1.268 1.248 1.00 0.00 N ATOM 961 CA LYS A 62 9.243 0.123 1.178 1.00 0.00 C ATOM 962 C LYS A 62 9.912 0.420 -0.161 1.00 0.00 C ATOM 963 O LYS A 62 10.868 -0.249 -0.549 1.00 0.00 O ATOM 964 CB LYS A 62 10.208 0.439 2.323 1.00 0.00 C ATOM 965 CG LYS A 62 10.199 1.899 2.741 1.00 0.00 C ATOM 966 CD LYS A 62 11.307 2.202 3.735 1.00 0.00 C ATOM 967 CE LYS A 62 11.011 3.462 4.534 1.00 0.00 C ATOM 968 NZ LYS A 62 11.641 3.423 5.883 1.00 0.00 N ATOM 0 H LYS A 62 9.123 -1.762 2.085 1.00 0.00 H new ATOM 0 HA LYS A 62 8.359 0.754 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.951 -0.178 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.218 0.162 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.316 2.531 1.861 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.234 2.145 3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.428 1.359 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.251 2.320 3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.375 4.332 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.933 3.580 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.416 4.299 6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.275 2.607 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.672 3.336 5.782 1.00 0.00 H new ATOM 982 N ALA A 63 9.403 1.428 -0.860 1.00 0.00 N ATOM 983 CA ALA A 63 9.953 1.815 -2.153 1.00 0.00 C ATOM 984 C ALA A 63 11.237 2.620 -1.984 1.00 0.00 C ATOM 985 O ALA A 63 11.284 3.581 -1.217 1.00 0.00 O ATOM 986 CB ALA A 63 8.929 2.613 -2.946 1.00 0.00 C ATOM 0 H ALA A 63 8.610 1.992 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 63 10.194 0.906 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.354 2.895 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.039 2.005 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.659 3.512 -2.391 1.00 0.00 H new ATOM 992 N LYS A 64 12.279 2.222 -2.707 1.00 0.00 N ATOM 993 CA LYS A 64 13.565 2.905 -2.638 1.00 0.00 C ATOM 994 C LYS A 64 13.801 3.748 -3.887 1.00 0.00 C ATOM 995 O LYS A 64 14.378 3.276 -4.867 1.00 0.00 O ATOM 996 CB LYS A 64 14.697 1.890 -2.474 1.00 0.00 C ATOM 997 CG LYS A 64 14.781 0.883 -3.609 1.00 0.00 C ATOM 998 CD LYS A 64 15.458 -0.403 -3.166 1.00 0.00 C ATOM 999 CE LYS A 64 16.973 -0.277 -3.202 1.00 0.00 C ATOM 1000 NZ LYS A 64 17.626 -1.139 -2.177 1.00 0.00 N ATOM 0 H LYS A 64 12.257 1.429 -3.348 1.00 0.00 H new ATOM 0 HA LYS A 64 13.550 3.566 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 64 15.645 2.424 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.561 1.355 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.778 0.660 -3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.334 1.318 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.137 -0.655 -2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.145 -1.222 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.337 -0.551 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.255 0.763 -3.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.658 -1.025 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.298 -0.861 -1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.378 -2.134 -2.351 1.00 0.00 H new ATOM 1014 N ASP A 65 13.350 4.998 -3.846 1.00 0.00 N ATOM 1015 CA ASP A 65 13.515 5.908 -4.973 1.00 0.00 C ATOM 1016 C ASP A 65 14.177 7.208 -4.530 1.00 0.00 C ATOM 1017 O ASP A 65 13.588 7.997 -3.793 1.00 0.00 O ATOM 1018 CB ASP A 65 12.160 6.205 -5.618 1.00 0.00 C ATOM 1019 CG ASP A 65 11.153 6.749 -4.624 1.00 0.00 C ATOM 1020 OD1 ASP A 65 10.558 5.943 -3.879 1.00 0.00 O ATOM 1021 OD2 ASP A 65 10.961 7.983 -4.591 1.00 0.00 O ATOM 0 H ASP A 65 12.867 5.403 -3.044 1.00 0.00 H new ATOM 0 HA ASP A 65 14.160 5.425 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.295 6.925 -6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 65 11.767 5.293 -6.067 1.00 0.00 H new ATOM 1026 N SER A 66 15.407 7.424 -4.985 1.00 0.00 N ATOM 1027 CA SER A 66 16.153 8.626 -4.632 1.00 0.00 C ATOM 1028 C SER A 66 16.345 8.723 -3.121 1.00 0.00 C ATOM 1029 O SER A 66 16.472 9.815 -2.569 1.00 0.00 O ATOM 1030 CB SER A 66 15.427 9.872 -5.145 1.00 0.00 C ATOM 1031 OG SER A 66 15.711 10.099 -6.514 1.00 0.00 O ATOM 0 H SER A 66 15.908 6.782 -5.599 1.00 0.00 H new ATOM 0 HA SER A 66 17.134 8.565 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.352 9.753 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 66 15.729 10.740 -4.559 1.00 0.00 H new ATOM 0 HG SER A 66 15.234 10.899 -6.819 1.00 0.00 H new ATOM 1037 N GLY A 67 16.363 7.570 -2.459 1.00 0.00 N ATOM 1038 CA GLY A 67 16.539 7.545 -1.018 1.00 0.00 C ATOM 1039 C GLY A 67 17.987 7.729 -0.608 1.00 0.00 C ATOM 1040 O GLY A 67 18.440 8.840 -0.334 1.00 0.00 O ATOM 0 H GLY A 67 16.259 6.653 -2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.934 8.332 -0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.171 6.597 -0.626 1.00 0.00 H new ATOM 1044 N PRO A 68 18.738 6.619 -0.561 1.00 0.00 N ATOM 1045 CA PRO A 68 20.153 6.636 -0.180 1.00 0.00 C ATOM 1046 C PRO A 68 21.029 7.301 -1.237 1.00 0.00 C ATOM 1047 O PRO A 68 22.249 7.374 -1.089 1.00 0.00 O ATOM 1048 CB PRO A 68 20.505 5.152 -0.052 1.00 0.00 C ATOM 1049 CG PRO A 68 19.531 4.454 -0.938 1.00 0.00 C ATOM 1050 CD PRO A 68 18.264 5.261 -0.875 1.00 0.00 C ATOM 0 HA PRO A 68 20.322 7.208 0.732 1.00 0.00 H new ATOM 0 HB2 PRO A 68 21.532 4.960 -0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.416 4.812 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 68 19.906 4.395 -1.960 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.360 3.432 -0.601 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.723 5.233 -1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 68 17.586 4.885 -0.109 1.00 0.00 H new ATOM 1058 N SER A 69 20.399 7.785 -2.302 1.00 0.00 N ATOM 1059 CA SER A 69 21.122 8.442 -3.385 1.00 0.00 C ATOM 1060 C SER A 69 21.716 9.766 -2.917 1.00 0.00 C ATOM 1061 O SER A 69 21.240 10.839 -3.287 1.00 0.00 O ATOM 1062 CB SER A 69 20.192 8.680 -4.577 1.00 0.00 C ATOM 1063 OG SER A 69 20.185 7.564 -5.450 1.00 0.00 O ATOM 0 H SER A 69 19.389 7.735 -2.438 1.00 0.00 H new ATOM 0 HA SER A 69 21.937 7.787 -3.694 1.00 0.00 H new ATOM 0 HB2 SER A 69 19.180 8.873 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.513 9.569 -5.121 1.00 0.00 H new ATOM 0 HG SER A 69 19.582 7.741 -6.202 1.00 0.00 H new ATOM 1069 N SER A 70 22.763 9.682 -2.100 1.00 0.00 N ATOM 1070 CA SER A 70 23.421 10.874 -1.577 1.00 0.00 C ATOM 1071 C SER A 70 24.442 11.413 -2.575 1.00 0.00 C ATOM 1072 O SER A 70 25.333 10.690 -3.020 1.00 0.00 O ATOM 1073 CB SER A 70 24.109 10.559 -0.247 1.00 0.00 C ATOM 1074 OG SER A 70 23.164 10.171 0.736 1.00 0.00 O ATOM 0 H SER A 70 23.173 8.802 -1.787 1.00 0.00 H new ATOM 0 HA SER A 70 22.660 11.637 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 70 24.838 9.761 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 70 24.659 11.435 0.098 1.00 0.00 H new ATOM 0 HG SER A 70 23.628 9.973 1.576 1.00 0.00 H new ATOM 1080 N GLY A 71 24.304 12.689 -2.922 1.00 0.00 N ATOM 1081 CA GLY A 71 25.219 13.304 -3.865 1.00 0.00 C ATOM 1082 C GLY A 71 26.665 13.199 -3.423 1.00 0.00 C ATOM 1083 O GLY A 71 26.945 13.001 -2.240 1.00 0.00 O ATOM 0 H GLY A 71 23.575 13.308 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 71 25.105 12.829 -4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 71 24.956 14.354 -3.989 1.00 0.00 H new TER 1087 GLY A 71