USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 180:sc= 1.04 USER MOD Set 1.2: A 71 TYR OH : rot -14:sc= 1.45 USER MOD Set 2.1: A 9 THR OG1 : rot 82:sc= 0.746 USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0.667 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.764 K(o=0.76,f=-0.7) USER MOD Single : A 11 GLN : amide:sc= 0.47 K(o=0.47,f=-6.1!) USER MOD Single : A 12 MET CE :methyl -175:sc= -0.208 (180deg=-0.254) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.715 K(o=0.72,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -5.316 -5.848 -15.370 1.00 0.00 N ATOM 14 CA LEU A 7 -5.058 -5.183 -14.087 1.00 0.00 C ATOM 15 C LEU A 7 -3.684 -4.507 -14.076 1.00 0.00 C ATOM 16 O LEU A 7 -2.820 -4.818 -14.899 1.00 0.00 O ATOM 17 CB LEU A 7 -5.176 -6.207 -12.937 1.00 0.00 C ATOM 18 CG LEU A 7 -6.608 -6.358 -12.391 1.00 0.00 C ATOM 19 CD1 LEU A 7 -7.609 -6.913 -13.414 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.589 -7.252 -11.145 1.00 0.00 C ATOM 0 HA LEU A 7 -5.805 -4.402 -13.946 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.826 -7.178 -13.288 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.516 -5.905 -12.124 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.952 -5.354 -12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.594 -6.990 -12.954 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.661 -6.244 -14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.284 -7.900 -13.743 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.603 -7.359 -10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.195 -8.234 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.956 -6.799 -10.382 1.00 0.00 H new ATOM 31 N LYS A 8 -3.473 -3.584 -13.132 1.00 0.00 N ATOM 32 CA LYS A 8 -2.190 -2.893 -12.957 1.00 0.00 C ATOM 33 C LYS A 8 -1.495 -3.309 -11.652 1.00 0.00 C ATOM 34 O LYS A 8 -2.145 -3.364 -10.607 1.00 0.00 O ATOM 35 CB LYS A 8 -2.385 -1.367 -12.995 1.00 0.00 C ATOM 36 CG LYS A 8 -3.016 -0.873 -14.306 1.00 0.00 C ATOM 37 CD LYS A 8 -2.996 0.659 -14.372 1.00 0.00 C ATOM 38 CE LYS A 8 -3.909 1.155 -15.497 1.00 0.00 C ATOM 39 NZ LYS A 8 -3.963 2.633 -15.541 1.00 0.00 N ATOM 0 H LYS A 8 -4.189 -3.294 -12.466 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.546 -3.187 -13.786 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.016 -1.066 -12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.420 -0.880 -12.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.472 -1.286 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.043 -1.232 -14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.323 1.075 -13.419 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.978 1.009 -14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.549 0.775 -16.453 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.914 0.757 -15.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.590 2.935 -16.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.329 2.994 -14.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.008 3.011 -15.703 1.00 0.00 H new ATOM 49 N THR A 9 -0.176 -3.546 -11.694 1.00 0.00 N ATOM 50 CA THR A 9 0.681 -3.683 -10.501 1.00 0.00 C ATOM 51 C THR A 9 1.497 -2.407 -10.307 1.00 0.00 C ATOM 52 O THR A 9 1.736 -1.687 -11.275 1.00 0.00 O ATOM 53 CB THR A 9 1.540 -4.951 -10.585 1.00 0.00 C ATOM 54 OG1 THR A 9 1.937 -5.291 -9.278 1.00 0.00 O ATOM 55 CG2 THR A 9 2.791 -4.809 -11.452 1.00 0.00 C ATOM 0 H THR A 9 0.336 -3.650 -12.570 1.00 0.00 H new ATOM 0 HA THR A 9 0.061 -3.806 -9.613 1.00 0.00 H new ATOM 0 HB THR A 9 0.928 -5.719 -11.057 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.213 -5.779 -8.833 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.340 -5.751 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.500 -4.554 -12.471 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.426 -4.021 -11.048 1.00 0.00 H new ATOM 63 N GLN A 10 1.907 -2.102 -9.079 1.00 0.00 N ATOM 64 CA GLN A 10 2.558 -0.845 -8.716 1.00 0.00 C ATOM 65 C GLN A 10 3.353 -1.082 -7.426 1.00 0.00 C ATOM 66 O GLN A 10 2.899 -1.828 -6.551 1.00 0.00 O ATOM 67 CB GLN A 10 1.485 0.252 -8.512 1.00 0.00 C ATOM 68 CG GLN A 10 2.010 1.703 -8.577 1.00 0.00 C ATOM 69 CD GLN A 10 2.206 2.258 -9.996 1.00 0.00 C ATOM 70 OE1 GLN A 10 1.816 1.672 -11.002 1.00 0.00 O ATOM 71 NE2 GLN A 10 2.794 3.423 -10.143 1.00 0.00 N ATOM 0 H GLN A 10 1.793 -2.737 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 10 3.233 -0.512 -9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.712 0.128 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.009 0.097 -7.544 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.314 2.350 -8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.962 1.753 -8.048 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.128 3.932 -9.325 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.917 3.818 -11.075 1.00 0.00 H new ATOM 78 N GLN A 11 4.511 -0.433 -7.287 1.00 0.00 N ATOM 79 CA GLN A 11 5.290 -0.400 -6.047 1.00 0.00 C ATOM 80 C GLN A 11 5.520 1.048 -5.601 1.00 0.00 C ATOM 81 O GLN A 11 5.369 1.974 -6.400 1.00 0.00 O ATOM 82 CB GLN A 11 6.583 -1.233 -6.182 1.00 0.00 C ATOM 83 CG GLN A 11 7.695 -0.651 -7.073 1.00 0.00 C ATOM 84 CD GLN A 11 8.600 0.350 -6.352 1.00 0.00 C ATOM 85 OE1 GLN A 11 9.388 -0.005 -5.479 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.533 1.616 -6.700 1.00 0.00 N ATOM 0 H GLN A 11 4.942 0.094 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 11 4.723 -0.876 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.993 -1.387 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.315 -2.215 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.306 -1.468 -7.457 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.240 -0.161 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.879 1.912 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.135 2.302 -6.245 1.00 0.00 H new ATOM 93 N MET A 12 5.857 1.258 -4.325 1.00 0.00 N ATOM 94 CA MET A 12 5.856 2.589 -3.704 1.00 0.00 C ATOM 95 C MET A 12 6.703 2.679 -2.435 1.00 0.00 C ATOM 96 O MET A 12 6.843 1.703 -1.693 1.00 0.00 O ATOM 97 CB MET A 12 4.411 3.045 -3.432 1.00 0.00 C ATOM 98 CG MET A 12 3.622 2.070 -2.543 1.00 0.00 C ATOM 99 SD MET A 12 1.916 2.574 -2.209 1.00 0.00 S ATOM 100 CE MET A 12 1.180 2.232 -3.827 1.00 0.00 C ATOM 0 H MET A 12 6.139 0.510 -3.691 1.00 0.00 H new ATOM 0 HA MET A 12 6.326 3.264 -4.419 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.430 4.025 -2.956 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.890 3.162 -4.382 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.611 1.090 -3.020 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.147 1.957 -1.594 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.143 2.568 -3.833 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.738 2.761 -4.600 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.215 1.160 -4.024 1.00 0.00 H new ATOM 108 N GLN A 13 7.241 3.874 -2.179 1.00 0.00 N ATOM 109 CA GLN A 13 7.955 4.189 -0.944 1.00 0.00 C ATOM 110 C GLN A 13 6.971 4.692 0.122 1.00 0.00 C ATOM 111 O GLN A 13 6.227 5.646 -0.104 1.00 0.00 O ATOM 112 CB GLN A 13 9.065 5.220 -1.200 1.00 0.00 C ATOM 113 CG GLN A 13 10.203 4.644 -2.056 1.00 0.00 C ATOM 114 CD GLN A 13 11.396 5.592 -2.115 1.00 0.00 C ATOM 115 OE1 GLN A 13 12.386 5.435 -1.410 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.347 6.636 -2.909 1.00 0.00 N ATOM 0 H GLN A 13 7.191 4.657 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 13 8.428 3.279 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.642 6.091 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.467 5.563 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.519 3.685 -1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.839 4.453 -3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.533 6.786 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.123 7.297 -2.931 1.00 0.00 H new ATOM 123 N VAL A 14 6.986 4.059 1.294 1.00 0.00 N ATOM 124 CA VAL A 14 5.963 4.154 2.347 1.00 0.00 C ATOM 125 C VAL A 14 6.659 4.172 3.711 1.00 0.00 C ATOM 126 O VAL A 14 7.541 3.355 3.978 1.00 0.00 O ATOM 127 CB VAL A 14 4.952 2.981 2.244 1.00 0.00 C ATOM 128 CG1 VAL A 14 3.964 2.924 3.422 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.133 3.076 0.950 1.00 0.00 C ATOM 0 H VAL A 14 7.749 3.433 1.553 1.00 0.00 H new ATOM 0 HA VAL A 14 5.395 5.076 2.223 1.00 0.00 H new ATOM 0 HB VAL A 14 5.560 2.076 2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.286 2.081 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.516 2.801 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.390 3.850 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.432 2.243 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.581 4.016 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.803 3.037 0.091 1.00 0.00 H new ATOM 139 N GLY A 15 6.268 5.128 4.559 1.00 0.00 N ATOM 140 CA GLY A 15 6.932 5.455 5.821 1.00 0.00 C ATOM 141 C GLY A 15 6.683 4.433 6.929 1.00 0.00 C ATOM 142 O GLY A 15 5.644 3.780 6.981 1.00 0.00 O ATOM 0 H GLY A 15 5.453 5.714 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.005 5.535 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.590 6.434 6.158 1.00 0.00 H new ATOM 146 N GLY A 16 7.663 4.303 7.827 1.00 0.00 N ATOM 147 CA GLY A 16 7.610 3.494 9.054 1.00 0.00 C ATOM 148 C GLY A 16 7.638 1.971 8.878 1.00 0.00 C ATOM 149 O GLY A 16 7.748 1.256 9.872 1.00 0.00 O ATOM 0 H GLY A 16 8.558 4.780 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.451 3.779 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.701 3.757 9.596 1.00 0.00 H new ATOM 153 N MET A 17 7.547 1.442 7.654 1.00 0.00 N ATOM 154 CA MET A 17 7.345 0.005 7.400 1.00 0.00 C ATOM 155 C MET A 17 8.486 -0.908 7.884 1.00 0.00 C ATOM 156 O MET A 17 8.214 -2.073 8.181 1.00 0.00 O ATOM 157 CB MET A 17 7.030 -0.226 5.913 1.00 0.00 C ATOM 158 CG MET A 17 5.678 0.373 5.497 1.00 0.00 C ATOM 159 SD MET A 17 4.220 -0.313 6.330 1.00 0.00 S ATOM 160 CE MET A 17 3.826 1.046 7.459 1.00 0.00 C ATOM 0 H MET A 17 7.611 2.000 6.803 1.00 0.00 H new ATOM 0 HA MET A 17 6.491 -0.289 8.009 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.821 0.214 5.305 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.028 -1.296 5.708 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.706 1.447 5.681 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.557 0.236 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.948 0.785 8.050 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.671 1.223 8.124 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.621 1.949 6.884 1.00 0.00 H new ATOM 219 N CYS A 22 4.697 -2.658 12.040 1.00 0.00 N ATOM 220 CA CYS A 22 4.097 -1.560 11.274 1.00 0.00 C ATOM 221 C CYS A 22 3.456 -2.004 9.954 1.00 0.00 C ATOM 222 O CYS A 22 2.369 -1.535 9.616 1.00 0.00 O ATOM 223 CB CYS A 22 5.164 -0.469 11.078 1.00 0.00 C ATOM 224 SG CYS A 22 5.508 0.324 12.679 1.00 0.00 S ATOM 0 HA CYS A 22 3.260 -1.158 11.844 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.076 -0.905 10.671 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.816 0.272 10.359 1.00 0.00 H new ATOM 0 HG CYS A 22 6.410 1.246 12.521 1.00 0.00 H new ATOM 229 N ALA A 23 4.063 -2.967 9.259 1.00 0.00 N ATOM 230 CA ALA A 23 3.467 -3.582 8.075 1.00 0.00 C ATOM 231 C ALA A 23 2.113 -4.258 8.366 1.00 0.00 C ATOM 232 O ALA A 23 1.261 -4.310 7.481 1.00 0.00 O ATOM 233 CB ALA A 23 4.483 -4.570 7.506 1.00 0.00 C ATOM 0 H ALA A 23 4.980 -3.341 9.502 1.00 0.00 H new ATOM 0 HA ALA A 23 3.240 -2.806 7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.068 -5.048 6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.397 -4.039 7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.710 -5.329 8.254 1.00 0.00 H new ATOM 239 N SER A 24 1.877 -4.733 9.595 1.00 0.00 N ATOM 240 CA SER A 24 0.666 -5.504 9.925 1.00 0.00 C ATOM 241 C SER A 24 -0.600 -4.645 9.808 1.00 0.00 C ATOM 242 O SER A 24 -1.619 -5.105 9.306 1.00 0.00 O ATOM 243 CB SER A 24 0.743 -6.091 11.345 1.00 0.00 C ATOM 244 OG SER A 24 1.948 -6.798 11.590 1.00 0.00 O ATOM 0 H SER A 24 2.511 -4.597 10.383 1.00 0.00 H new ATOM 0 HA SER A 24 0.611 -6.318 9.202 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.648 -5.284 12.071 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.103 -6.761 11.501 1.00 0.00 H new ATOM 0 HG SER A 24 1.942 -7.146 12.506 1.00 0.00 H new ATOM 249 N SER A 25 -0.535 -3.372 10.201 1.00 0.00 N ATOM 250 CA SER A 25 -1.703 -2.480 10.241 1.00 0.00 C ATOM 251 C SER A 25 -2.206 -2.094 8.849 1.00 0.00 C ATOM 252 O SER A 25 -3.373 -1.747 8.676 1.00 0.00 O ATOM 253 CB SER A 25 -1.373 -1.195 11.011 1.00 0.00 C ATOM 254 OG SER A 25 -0.900 -1.462 12.318 1.00 0.00 O ATOM 0 H SER A 25 0.331 -2.925 10.502 1.00 0.00 H new ATOM 0 HA SER A 25 -2.491 -3.040 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.621 -0.628 10.463 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.264 -0.569 11.069 1.00 0.00 H new ATOM 0 HG SER A 25 -0.700 -0.617 12.773 1.00 0.00 H new ATOM 259 N ILE A 26 -1.330 -2.165 7.844 1.00 0.00 N ATOM 260 CA ILE A 26 -1.702 -2.031 6.435 1.00 0.00 C ATOM 261 C ILE A 26 -2.105 -3.410 5.896 1.00 0.00 C ATOM 262 O ILE A 26 -3.203 -3.559 5.359 1.00 0.00 O ATOM 263 CB ILE A 26 -0.540 -1.357 5.658 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.517 0.187 5.780 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.569 -1.685 4.156 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.404 0.752 7.200 1.00 0.00 C ATOM 0 H ILE A 26 -0.332 -2.319 7.988 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.567 -1.381 6.305 1.00 0.00 H new ATOM 0 HB ILE A 26 0.352 -1.771 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.321 0.565 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.427 0.580 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.265 -1.189 3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.485 -2.763 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.508 -1.336 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.397 1.841 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.254 0.416 7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.520 0.401 7.659 1.00 0.00 H new ATOM 277 N GLU A 27 -1.249 -4.426 6.047 1.00 0.00 N ATOM 278 CA GLU A 27 -1.390 -5.695 5.321 1.00 0.00 C ATOM 279 C GLU A 27 -2.588 -6.531 5.812 1.00 0.00 C ATOM 280 O GLU A 27 -3.209 -7.233 5.009 1.00 0.00 O ATOM 281 CB GLU A 27 -0.065 -6.482 5.358 1.00 0.00 C ATOM 282 CG GLU A 27 0.116 -7.373 4.118 1.00 0.00 C ATOM 283 CD GLU A 27 1.392 -8.211 4.211 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.358 -9.264 4.885 1.00 0.00 O ATOM 285 OE2 GLU A 27 2.443 -7.855 3.625 1.00 0.00 O ATOM 0 H GLU A 27 -0.443 -4.394 6.672 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.612 -5.460 4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.769 -5.783 5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.037 -7.101 6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.746 -8.032 4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.153 -6.751 3.224 1.00 0.00 H new ATOM 290 N ARG A 28 -2.976 -6.404 7.092 1.00 0.00 N ATOM 291 CA ARG A 28 -4.169 -7.055 7.669 1.00 0.00 C ATOM 292 C ARG A 28 -5.476 -6.668 6.954 1.00 0.00 C ATOM 293 O ARG A 28 -6.399 -7.485 6.901 1.00 0.00 O ATOM 294 CB ARG A 28 -4.228 -6.742 9.176 1.00 0.00 C ATOM 295 CG ARG A 28 -5.384 -7.420 9.933 1.00 0.00 C ATOM 296 CD ARG A 28 -5.128 -7.339 11.445 1.00 0.00 C ATOM 297 NE ARG A 28 -6.213 -7.944 12.241 1.00 0.00 N ATOM 298 CZ ARG A 28 -7.008 -7.306 13.096 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.962 -6.005 13.280 1.00 0.00 N ATOM 300 NH2 ARG A 28 -7.888 -7.967 13.816 1.00 0.00 N ATOM 0 H ARG A 28 -2.463 -5.838 7.767 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.074 -8.131 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.286 -7.046 9.633 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.311 -5.663 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.328 -6.933 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.473 -8.462 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.189 -7.842 11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.010 -6.295 11.734 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.368 -8.945 12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.295 -5.439 12.755 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.593 -5.562 13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.966 -8.980 13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.492 -7.467 14.468 1.00 0.00 H new ATOM 311 N ALA A 29 -5.547 -5.466 6.370 1.00 0.00 N ATOM 312 CA ALA A 29 -6.666 -5.021 5.532 1.00 0.00 C ATOM 313 C ALA A 29 -6.363 -5.114 4.029 1.00 0.00 C ATOM 314 O ALA A 29 -7.250 -5.466 3.257 1.00 0.00 O ATOM 315 CB ALA A 29 -7.008 -3.578 5.910 1.00 0.00 C ATOM 0 H ALA A 29 -4.815 -4.763 6.469 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.511 -5.685 5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.839 -3.228 5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.290 -3.534 6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.139 -2.942 5.740 1.00 0.00 H new ATOM 321 N LEU A 30 -5.133 -4.805 3.598 1.00 0.00 N ATOM 322 CA LEU A 30 -4.769 -4.560 2.193 1.00 0.00 C ATOM 323 C LEU A 30 -5.272 -5.618 1.202 1.00 0.00 C ATOM 324 O LEU A 30 -5.757 -5.265 0.133 1.00 0.00 O ATOM 325 CB LEU A 30 -3.238 -4.410 2.123 1.00 0.00 C ATOM 326 CG LEU A 30 -2.657 -4.107 0.728 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.271 -2.860 0.082 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.142 -3.915 0.859 1.00 0.00 C ATOM 0 H LEU A 30 -4.340 -4.716 4.234 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.273 -3.647 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.939 -3.611 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.784 -5.330 2.493 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.897 -4.951 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.821 -2.699 -0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.346 -3.000 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.083 -1.992 0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.716 -3.700 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.938 -3.084 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.693 -4.825 1.258 1.00 0.00 H new ATOM 339 N GLU A 31 -5.192 -6.899 1.553 1.00 0.00 N ATOM 340 CA GLU A 31 -5.503 -8.008 0.642 1.00 0.00 C ATOM 341 C GLU A 31 -7.004 -8.337 0.574 1.00 0.00 C ATOM 342 O GLU A 31 -7.425 -9.145 -0.261 1.00 0.00 O ATOM 343 CB GLU A 31 -4.683 -9.238 1.044 1.00 0.00 C ATOM 344 CG GLU A 31 -3.184 -8.911 1.093 1.00 0.00 C ATOM 345 CD GLU A 31 -2.328 -10.174 1.026 1.00 0.00 C ATOM 346 OE1 GLU A 31 -2.354 -10.876 -0.011 1.00 0.00 O ATOM 347 OE2 GLU A 31 -1.654 -10.518 2.027 1.00 0.00 O ATOM 0 H GLU A 31 -4.908 -7.204 2.484 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.228 -7.694 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.012 -9.596 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.859 -10.045 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.928 -8.253 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.960 -8.368 2.011 1.00 0.00 H new ATOM 352 N ARG A 32 -7.807 -7.695 1.433 1.00 0.00 N ATOM 353 CA ARG A 32 -9.270 -7.711 1.401 1.00 0.00 C ATOM 354 C ARG A 32 -9.894 -6.328 1.122 1.00 0.00 C ATOM 355 O ARG A 32 -11.126 -6.233 1.083 1.00 0.00 O ATOM 356 CB ARG A 32 -9.823 -8.329 2.696 1.00 0.00 C ATOM 357 CG ARG A 32 -9.531 -7.455 3.923 1.00 0.00 C ATOM 358 CD ARG A 32 -10.412 -7.819 5.115 1.00 0.00 C ATOM 359 NE ARG A 32 -10.530 -6.667 6.016 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.617 -6.685 7.335 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.640 -7.801 8.032 1.00 0.00 N ATOM 362 NH2 ARG A 32 -10.686 -5.547 7.977 1.00 0.00 N ATOM 0 H ARG A 32 -7.438 -7.129 2.197 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.561 -8.336 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.900 -8.469 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.385 -9.316 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.483 -7.563 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.686 -6.407 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.400 -8.124 4.769 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.985 -8.668 5.649 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.547 -5.748 5.574 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.590 -8.701 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.708 -7.766 9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.672 -4.668 7.460 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.754 -5.539 8.995 1.00 0.00 H new ATOM 373 N LEU A 33 -9.087 -5.268 0.924 1.00 0.00 N ATOM 374 CA LEU A 33 -9.572 -4.009 0.337 1.00 0.00 C ATOM 375 C LEU A 33 -10.142 -4.350 -1.042 1.00 0.00 C ATOM 376 O LEU A 33 -9.417 -4.834 -1.912 1.00 0.00 O ATOM 377 CB LEU A 33 -8.455 -2.950 0.224 1.00 0.00 C ATOM 378 CG LEU A 33 -7.913 -2.385 1.551 1.00 0.00 C ATOM 379 CD1 LEU A 33 -6.787 -1.378 1.275 1.00 0.00 C ATOM 380 CD2 LEU A 33 -8.978 -1.672 2.391 1.00 0.00 C ATOM 0 H LEU A 33 -8.095 -5.261 1.163 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.334 -3.570 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.623 -3.388 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.830 -2.119 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.555 -3.247 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.411 -0.985 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.977 -1.875 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.172 -0.558 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.527 -1.300 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.389 -0.837 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.777 -2.372 2.636 1.00 0.00 H new ATOM 391 N LYS A 34 -11.454 -4.185 -1.224 1.00 0.00 N ATOM 392 CA LYS A 34 -12.204 -4.991 -2.200 1.00 0.00 C ATOM 393 C LYS A 34 -11.706 -4.851 -3.659 1.00 0.00 C ATOM 394 O LYS A 34 -11.841 -5.795 -4.440 1.00 0.00 O ATOM 395 CB LYS A 34 -13.706 -4.672 -2.058 1.00 0.00 C ATOM 396 CG LYS A 34 -14.612 -5.904 -2.258 1.00 0.00 C ATOM 397 CD LYS A 34 -14.888 -6.664 -0.947 1.00 0.00 C ATOM 398 CE LYS A 34 -15.883 -7.813 -1.184 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.368 -8.416 0.084 1.00 0.00 N ATOM 0 H LYS A 34 -12.019 -3.506 -0.714 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.027 -6.041 -1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.889 -4.251 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.978 -3.907 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.559 -5.585 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.144 -6.581 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.955 -7.061 -0.548 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -15.288 -5.978 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.734 -7.441 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.406 -8.583 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.035 -9.185 -0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.561 -8.797 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.848 -7.689 0.653 1.00 0.00 H new ATOM 409 N GLY A 35 -11.069 -3.725 -4.016 1.00 0.00 N ATOM 410 CA GLY A 35 -10.471 -3.482 -5.340 1.00 0.00 C ATOM 411 C GLY A 35 -9.053 -4.037 -5.557 1.00 0.00 C ATOM 412 O GLY A 35 -8.554 -3.943 -6.678 1.00 0.00 O ATOM 0 H GLY A 35 -10.952 -2.939 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.127 -3.913 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.448 -2.406 -5.513 1.00 0.00 H new ATOM 416 N VAL A 36 -8.406 -4.598 -4.528 1.00 0.00 N ATOM 417 CA VAL A 36 -7.040 -5.161 -4.581 1.00 0.00 C ATOM 418 C VAL A 36 -7.093 -6.664 -4.887 1.00 0.00 C ATOM 419 O VAL A 36 -7.851 -7.408 -4.263 1.00 0.00 O ATOM 420 CB VAL A 36 -6.273 -4.905 -3.259 1.00 0.00 C ATOM 421 CG1 VAL A 36 -4.866 -5.533 -3.252 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.137 -3.391 -3.006 1.00 0.00 C ATOM 0 H VAL A 36 -8.828 -4.678 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.501 -4.657 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.857 -5.378 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.377 -5.320 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.948 -6.612 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.275 -5.112 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.596 -3.225 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.590 -2.932 -3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.128 -2.943 -2.935 1.00 0.00 H new ATOM 432 N ALA A 37 -6.265 -7.101 -5.844 1.00 0.00 N ATOM 433 CA ALA A 37 -6.183 -8.478 -6.340 1.00 0.00 C ATOM 434 C ALA A 37 -4.982 -9.278 -5.798 1.00 0.00 C ATOM 435 O ALA A 37 -5.088 -10.501 -5.686 1.00 0.00 O ATOM 436 CB ALA A 37 -6.137 -8.411 -7.870 1.00 0.00 C ATOM 0 H ALA A 37 -5.607 -6.478 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.059 -9.018 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.075 -9.420 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.040 -7.925 -8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.263 -7.840 -8.183 1.00 0.00 H new ATOM 442 N GLU A 38 -3.871 -8.622 -5.440 1.00 0.00 N ATOM 443 CA GLU A 38 -2.711 -9.210 -4.747 1.00 0.00 C ATOM 444 C GLU A 38 -1.717 -8.140 -4.283 1.00 0.00 C ATOM 445 O GLU A 38 -1.578 -7.111 -4.938 1.00 0.00 O ATOM 446 CB GLU A 38 -2.018 -10.350 -5.527 1.00 0.00 C ATOM 447 CG GLU A 38 -1.566 -10.013 -6.955 1.00 0.00 C ATOM 448 CD GLU A 38 -1.213 -11.289 -7.714 1.00 0.00 C ATOM 449 OE1 GLU A 38 -2.142 -11.913 -8.279 1.00 0.00 O ATOM 450 OE2 GLU A 38 -0.023 -11.701 -7.727 1.00 0.00 O ATOM 0 H GLU A 38 -3.748 -7.628 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.121 -9.686 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.146 -10.674 -4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.701 -11.198 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.359 -9.478 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.702 -9.350 -6.923 1.00 0.00 H new ATOM 455 N ALA A 39 -1.022 -8.355 -3.160 1.00 0.00 N ATOM 456 CA ALA A 39 -0.203 -7.328 -2.503 1.00 0.00 C ATOM 457 C ALA A 39 0.708 -7.886 -1.398 1.00 0.00 C ATOM 458 O ALA A 39 0.451 -8.949 -0.828 1.00 0.00 O ATOM 459 CB ALA A 39 -1.123 -6.238 -1.933 1.00 0.00 C ATOM 0 H ALA A 39 -1.012 -9.254 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 39 0.462 -6.912 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.521 -5.473 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.697 -5.786 -2.742 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.806 -6.681 -1.208 1.00 0.00 H new ATOM 465 N SER A 40 1.753 -7.136 -1.046 1.00 0.00 N ATOM 466 CA SER A 40 2.725 -7.541 -0.024 1.00 0.00 C ATOM 467 C SER A 40 3.557 -6.352 0.479 1.00 0.00 C ATOM 468 O SER A 40 4.161 -5.636 -0.322 1.00 0.00 O ATOM 469 CB SER A 40 3.647 -8.624 -0.602 1.00 0.00 C ATOM 470 OG SER A 40 4.532 -9.120 0.385 1.00 0.00 O ATOM 0 H SER A 40 1.952 -6.226 -1.462 1.00 0.00 H new ATOM 0 HA SER A 40 2.175 -7.936 0.830 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.047 -9.442 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.219 -8.213 -1.434 1.00 0.00 H new ATOM 0 HG SER A 40 5.107 -9.809 -0.008 1.00 0.00 H new ATOM 475 N VAL A 41 3.640 -6.160 1.801 1.00 0.00 N ATOM 476 CA VAL A 41 4.538 -5.175 2.425 1.00 0.00 C ATOM 477 C VAL A 41 5.869 -5.872 2.726 1.00 0.00 C ATOM 478 O VAL A 41 5.897 -6.846 3.485 1.00 0.00 O ATOM 479 CB VAL A 41 3.953 -4.586 3.730 1.00 0.00 C ATOM 480 CG1 VAL A 41 4.836 -3.421 4.210 1.00 0.00 C ATOM 481 CG2 VAL A 41 2.501 -4.092 3.594 1.00 0.00 C ATOM 0 H VAL A 41 3.083 -6.686 2.474 1.00 0.00 H new ATOM 0 HA VAL A 41 4.672 -4.342 1.735 1.00 0.00 H new ATOM 0 HB VAL A 41 3.942 -5.400 4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.423 -3.006 5.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.847 -3.784 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.865 -2.646 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.161 -3.693 4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.452 -3.310 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.860 -4.923 3.299 1.00 0.00 H new ATOM 491 N THR A 42 6.968 -5.385 2.136 1.00 0.00 N ATOM 492 CA THR A 42 8.308 -5.970 2.282 1.00 0.00 C ATOM 493 C THR A 42 8.998 -5.314 3.471 1.00 0.00 C ATOM 494 O THR A 42 9.558 -4.229 3.351 1.00 0.00 O ATOM 495 CB THR A 42 9.124 -5.793 0.993 1.00 0.00 C ATOM 496 OG1 THR A 42 8.371 -6.250 -0.110 1.00 0.00 O ATOM 497 CG2 THR A 42 10.416 -6.609 1.030 1.00 0.00 C ATOM 0 H THR A 42 6.952 -4.561 1.535 1.00 0.00 H new ATOM 0 HA THR A 42 8.226 -7.042 2.461 1.00 0.00 H new ATOM 0 HB THR A 42 9.363 -4.733 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.892 -6.135 -0.932 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.968 -6.459 0.102 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.027 -6.284 1.872 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.176 -7.666 1.143 1.00 0.00 H new ATOM 505 N VAL A 43 8.948 -5.961 4.633 1.00 0.00 N ATOM 506 CA VAL A 43 9.451 -5.402 5.905 1.00 0.00 C ATOM 507 C VAL A 43 10.975 -5.221 5.899 1.00 0.00 C ATOM 508 O VAL A 43 11.473 -4.234 6.441 1.00 0.00 O ATOM 509 CB VAL A 43 9.031 -6.287 7.101 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.682 -5.874 8.435 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.507 -6.218 7.262 1.00 0.00 C ATOM 0 H VAL A 43 8.555 -6.897 4.729 1.00 0.00 H new ATOM 0 HA VAL A 43 9.000 -4.416 6.013 1.00 0.00 H new ATOM 0 HB VAL A 43 9.372 -7.297 6.876 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.341 -6.539 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.766 -5.941 8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.400 -4.849 8.675 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.202 -6.840 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.207 -5.186 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.028 -6.579 6.352 1.00 0.00 H new ATOM 521 N ALA A 44 11.727 -6.147 5.287 1.00 0.00 N ATOM 522 CA ALA A 44 13.194 -6.140 5.314 1.00 0.00 C ATOM 523 C ALA A 44 13.846 -5.074 4.407 1.00 0.00 C ATOM 524 O ALA A 44 15.066 -4.900 4.473 1.00 0.00 O ATOM 525 CB ALA A 44 13.685 -7.553 4.987 1.00 0.00 C ATOM 0 H ALA A 44 11.332 -6.924 4.758 1.00 0.00 H new ATOM 0 HA ALA A 44 13.508 -5.850 6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.775 -7.572 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.300 -8.253 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.330 -7.842 3.998 1.00 0.00 H new ATOM 531 N THR A 45 13.056 -4.359 3.593 1.00 0.00 N ATOM 532 CA THR A 45 13.462 -3.184 2.792 1.00 0.00 C ATOM 533 C THR A 45 12.601 -1.952 3.085 1.00 0.00 C ATOM 534 O THR A 45 12.993 -0.833 2.749 1.00 0.00 O ATOM 535 CB THR A 45 13.381 -3.510 1.297 1.00 0.00 C ATOM 536 OG1 THR A 45 12.051 -3.842 0.987 1.00 0.00 O ATOM 537 CG2 THR A 45 14.274 -4.686 0.904 1.00 0.00 C ATOM 0 H THR A 45 12.071 -4.591 3.466 1.00 0.00 H new ATOM 0 HA THR A 45 14.489 -2.950 3.072 1.00 0.00 H new ATOM 0 HB THR A 45 13.723 -2.633 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.980 -4.052 0.032 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.178 -4.874 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.312 -4.449 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.970 -5.575 1.457 1.00 0.00 H new ATOM 545 N GLY A 46 11.430 -2.144 3.703 1.00 0.00 N ATOM 546 CA GLY A 46 10.485 -1.110 4.116 1.00 0.00 C ATOM 547 C GLY A 46 9.844 -0.403 2.929 1.00 0.00 C ATOM 548 O GLY A 46 9.931 0.821 2.845 1.00 0.00 O ATOM 0 H GLY A 46 11.101 -3.080 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.706 -1.559 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.000 -0.377 4.737 1.00 0.00 H new ATOM 552 N ARG A 47 9.208 -1.165 2.029 1.00 0.00 N ATOM 553 CA ARG A 47 8.442 -0.655 0.879 1.00 0.00 C ATOM 554 C ARG A 47 7.319 -1.617 0.454 1.00 0.00 C ATOM 555 O ARG A 47 7.195 -2.715 1.004 1.00 0.00 O ATOM 556 CB ARG A 47 9.374 -0.262 -0.284 1.00 0.00 C ATOM 557 CG ARG A 47 10.182 -1.414 -0.900 1.00 0.00 C ATOM 558 CD ARG A 47 10.838 -0.982 -2.221 1.00 0.00 C ATOM 559 NE ARG A 47 11.809 0.113 -2.026 1.00 0.00 N ATOM 560 CZ ARG A 47 12.098 1.094 -2.872 1.00 0.00 C ATOM 561 NH1 ARG A 47 11.491 1.233 -4.030 1.00 0.00 N ATOM 562 NH2 ARG A 47 13.019 1.973 -2.548 1.00 0.00 N ATOM 0 H ARG A 47 9.211 -2.184 2.081 1.00 0.00 H new ATOM 0 HA ARG A 47 7.939 0.258 1.198 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.773 0.198 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.070 0.498 0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.950 -1.740 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.528 -2.268 -1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.342 -1.837 -2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.066 -0.661 -2.921 1.00 0.00 H new ATOM 0 HE ARG A 47 12.315 0.116 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.766 0.572 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.745 2.002 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.504 1.897 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.249 2.731 -3.191 1.00 0.00 H new ATOM 573 N LEU A 48 6.462 -1.184 -0.478 1.00 0.00 N ATOM 574 CA LEU A 48 5.165 -1.816 -0.763 1.00 0.00 C ATOM 575 C LEU A 48 4.981 -2.138 -2.253 1.00 0.00 C ATOM 576 O LEU A 48 5.464 -1.387 -3.100 1.00 0.00 O ATOM 577 CB LEU A 48 4.061 -0.849 -0.280 1.00 0.00 C ATOM 578 CG LEU A 48 3.032 -1.493 0.661 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.106 -0.400 1.196 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.196 -2.581 -0.025 1.00 0.00 C ATOM 0 H LEU A 48 6.652 -0.372 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 48 5.111 -2.771 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.528 -0.007 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.541 -0.445 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 48 3.579 -1.977 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.369 -0.843 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.693 0.340 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.595 0.083 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.487 -2.999 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.653 -2.147 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.854 -3.371 -0.388 1.00 0.00 H new ATOM 591 N THR A 49 4.218 -3.200 -2.552 1.00 0.00 N ATOM 592 CA THR A 49 3.778 -3.639 -3.891 1.00 0.00 C ATOM 593 C THR A 49 2.304 -4.017 -3.797 1.00 0.00 C ATOM 594 O THR A 49 1.906 -4.683 -2.840 1.00 0.00 O ATOM 595 CB THR A 49 4.583 -4.850 -4.388 1.00 0.00 C ATOM 596 OG1 THR A 49 5.963 -4.637 -4.178 1.00 0.00 O ATOM 597 CG2 THR A 49 4.363 -5.088 -5.883 1.00 0.00 C ATOM 0 H THR A 49 3.867 -3.817 -1.819 1.00 0.00 H new ATOM 0 HA THR A 49 3.937 -2.827 -4.600 1.00 0.00 H new ATOM 0 HB THR A 49 4.239 -5.719 -3.827 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.466 -5.415 -4.497 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.946 -5.951 -6.204 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.305 -5.275 -6.070 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.681 -4.208 -6.442 1.00 0.00 H new ATOM 605 N VAL A 50 1.513 -3.589 -4.778 1.00 0.00 N ATOM 606 CA VAL A 50 0.050 -3.761 -4.823 1.00 0.00 C ATOM 607 C VAL A 50 -0.436 -3.933 -6.269 1.00 0.00 C ATOM 608 O VAL A 50 0.105 -3.307 -7.179 1.00 0.00 O ATOM 609 CB VAL A 50 -0.661 -2.580 -4.109 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.394 -1.216 -4.773 1.00 0.00 C ATOM 611 CG2 VAL A 50 -2.180 -2.794 -3.986 1.00 0.00 C ATOM 0 H VAL A 50 1.877 -3.096 -5.593 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.210 -4.673 -4.285 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.223 -2.562 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.920 -0.435 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.676 -1.009 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.749 -1.237 -5.803 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.628 -1.939 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.615 -2.895 -4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.375 -3.699 -3.411 1.00 0.00 H new ATOM 621 N THR A 51 -1.448 -4.785 -6.473 1.00 0.00 N ATOM 622 CA THR A 51 -2.081 -5.093 -7.764 1.00 0.00 C ATOM 623 C THR A 51 -3.579 -4.847 -7.651 1.00 0.00 C ATOM 624 O THR A 51 -4.217 -5.406 -6.762 1.00 0.00 O ATOM 625 CB THR A 51 -1.789 -6.546 -8.165 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.387 -6.694 -8.282 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.382 -6.902 -9.535 1.00 0.00 C ATOM 0 H THR A 51 -1.870 -5.305 -5.704 1.00 0.00 H new ATOM 0 HA THR A 51 -1.673 -4.446 -8.541 1.00 0.00 H new ATOM 0 HB THR A 51 -2.229 -7.193 -7.407 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.176 -7.616 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.149 -7.940 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.464 -6.770 -9.509 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.955 -6.250 -10.297 1.00 0.00 H new ATOM 635 N TYR A 52 -4.138 -4.025 -8.542 1.00 0.00 N ATOM 636 CA TYR A 52 -5.511 -3.499 -8.460 1.00 0.00 C ATOM 637 C TYR A 52 -6.215 -3.366 -9.827 1.00 0.00 C ATOM 638 O TYR A 52 -5.576 -3.353 -10.882 1.00 0.00 O ATOM 639 CB TYR A 52 -5.490 -2.150 -7.713 1.00 0.00 C ATOM 640 CG TYR A 52 -4.637 -1.040 -8.323 1.00 0.00 C ATOM 641 CD1 TYR A 52 -5.081 -0.330 -9.460 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.412 -0.682 -7.722 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.298 0.708 -10.004 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.633 0.368 -8.249 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.069 1.061 -9.402 1.00 0.00 C ATOM 646 OH TYR A 52 -2.326 2.074 -9.932 1.00 0.00 O ATOM 0 H TYR A 52 -3.637 -3.695 -9.367 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.103 -4.229 -7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.515 -1.788 -7.636 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.139 -2.329 -6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.027 -0.584 -9.916 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.068 -1.218 -6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.638 1.235 -10.883 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.704 0.643 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.510 2.193 -9.402 1.00 0.00 H new ATOM 655 N ASP A 53 -7.549 -3.226 -9.813 1.00 0.00 N ATOM 656 CA ASP A 53 -8.370 -2.987 -10.998 1.00 0.00 C ATOM 657 C ASP A 53 -8.554 -1.468 -11.202 1.00 0.00 C ATOM 658 O ASP A 53 -9.188 -0.813 -10.362 1.00 0.00 O ATOM 659 CB ASP A 53 -9.709 -3.725 -10.851 1.00 0.00 C ATOM 660 CG ASP A 53 -10.586 -3.551 -12.093 1.00 0.00 C ATOM 661 OD1 ASP A 53 -11.163 -2.453 -12.251 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.719 -4.510 -12.887 1.00 0.00 O ATOM 0 H ASP A 53 -8.095 -3.278 -8.953 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.877 -3.378 -11.888 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.524 -4.786 -10.681 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.238 -3.349 -9.975 1.00 0.00 H new ATOM 666 N PRO A 54 -8.030 -0.896 -12.307 1.00 0.00 N ATOM 667 CA PRO A 54 -7.975 0.549 -12.537 1.00 0.00 C ATOM 668 C PRO A 54 -9.338 1.164 -12.903 1.00 0.00 C ATOM 669 O PRO A 54 -9.395 2.335 -13.270 1.00 0.00 O ATOM 670 CB PRO A 54 -6.951 0.720 -13.665 1.00 0.00 C ATOM 671 CG PRO A 54 -7.162 -0.542 -14.499 1.00 0.00 C ATOM 672 CD PRO A 54 -7.398 -1.595 -13.422 1.00 0.00 C ATOM 0 HA PRO A 54 -7.691 1.079 -11.628 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.134 1.625 -14.245 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.933 0.787 -13.282 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.014 -0.449 -15.173 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.293 -0.775 -15.114 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.037 -2.396 -13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.459 -2.054 -13.113 1.00 0.00 H new ATOM 677 N LYS A 55 -10.425 0.387 -12.817 1.00 0.00 N ATOM 678 CA LYS A 55 -11.796 0.816 -13.150 1.00 0.00 C ATOM 679 C LYS A 55 -12.744 0.655 -11.953 1.00 0.00 C ATOM 680 O LYS A 55 -13.751 1.357 -11.866 1.00 0.00 O ATOM 681 CB LYS A 55 -12.324 0.017 -14.359 1.00 0.00 C ATOM 682 CG LYS A 55 -11.604 0.296 -15.690 1.00 0.00 C ATOM 683 CD LYS A 55 -11.787 1.715 -16.250 1.00 0.00 C ATOM 684 CE LYS A 55 -13.252 2.054 -16.554 1.00 0.00 C ATOM 685 NZ LYS A 55 -13.355 3.247 -17.425 1.00 0.00 N ATOM 0 H LYS A 55 -10.378 -0.583 -12.506 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.761 1.875 -13.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.242 -1.047 -14.136 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.384 0.236 -14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.538 0.112 -15.553 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.959 -0.419 -16.433 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.394 2.436 -15.533 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.199 1.819 -17.162 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.732 1.204 -17.039 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.788 2.233 -15.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.357 3.453 -17.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.917 4.062 -16.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.863 3.065 -18.323 1.00 0.00 H new ATOM 695 N GLN A 56 -12.418 -0.226 -11.005 1.00 0.00 N ATOM 696 CA GLN A 56 -13.029 -0.213 -9.677 1.00 0.00 C ATOM 697 C GLN A 56 -12.322 0.776 -8.737 1.00 0.00 C ATOM 698 O GLN A 56 -13.018 1.427 -7.957 1.00 0.00 O ATOM 699 CB GLN A 56 -13.067 -1.631 -9.078 1.00 0.00 C ATOM 700 CG GLN A 56 -13.799 -2.680 -9.942 1.00 0.00 C ATOM 701 CD GLN A 56 -15.127 -2.186 -10.521 1.00 0.00 C ATOM 702 OE1 GLN A 56 -16.011 -1.723 -9.810 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.307 -2.212 -11.824 1.00 0.00 N ATOM 0 H GLN A 56 -11.727 -0.964 -11.136 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.057 0.132 -9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.044 -1.968 -8.912 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -13.549 -1.585 -8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.146 -2.982 -10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.985 -3.568 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.582 -2.594 -12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.172 -1.850 -12.227 1.00 0.00 H new ATOM 710 N VAL A 57 -10.986 0.922 -8.800 1.00 0.00 N ATOM 711 CA VAL A 57 -10.200 1.713 -7.816 1.00 0.00 C ATOM 712 C VAL A 57 -8.912 2.324 -8.416 1.00 0.00 C ATOM 713 O VAL A 57 -8.706 2.287 -9.629 1.00 0.00 O ATOM 714 CB VAL A 57 -9.860 0.880 -6.545 1.00 0.00 C ATOM 715 CG1 VAL A 57 -11.092 0.390 -5.765 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.953 -0.325 -6.857 1.00 0.00 C ATOM 0 H VAL A 57 -10.415 0.498 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.845 2.543 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.325 1.584 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.768 -0.181 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.680 1.247 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.702 -0.244 -6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.746 -0.872 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.454 -0.984 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.016 0.027 -7.289 1.00 0.00 H new ATOM 726 N SER A 58 -8.034 2.875 -7.567 1.00 0.00 N ATOM 727 CA SER A 58 -6.683 3.359 -7.893 1.00 0.00 C ATOM 728 C SER A 58 -5.771 3.333 -6.642 1.00 0.00 C ATOM 729 O SER A 58 -6.172 2.808 -5.599 1.00 0.00 O ATOM 730 CB SER A 58 -6.779 4.781 -8.468 1.00 0.00 C ATOM 731 OG SER A 58 -7.121 5.743 -7.477 1.00 0.00 O ATOM 0 H SER A 58 -8.258 3.003 -6.580 1.00 0.00 H new ATOM 0 HA SER A 58 -6.238 2.700 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.825 5.052 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.526 4.800 -9.262 1.00 0.00 H new ATOM 0 HG SER A 58 -7.169 6.632 -7.887 1.00 0.00 H new ATOM 736 N GLU A 59 -4.585 3.965 -6.679 1.00 0.00 N ATOM 737 CA GLU A 59 -3.735 4.160 -5.489 1.00 0.00 C ATOM 738 C GLU A 59 -4.436 4.881 -4.316 1.00 0.00 C ATOM 739 O GLU A 59 -3.993 4.787 -3.174 1.00 0.00 O ATOM 740 CB GLU A 59 -2.406 4.854 -5.848 1.00 0.00 C ATOM 741 CG GLU A 59 -2.497 6.299 -6.378 1.00 0.00 C ATOM 742 CD GLU A 59 -3.078 6.424 -7.788 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.944 5.470 -8.590 1.00 0.00 O ATOM 744 OE2 GLU A 59 -3.669 7.483 -8.102 1.00 0.00 O ATOM 0 H GLU A 59 -4.188 4.355 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.520 3.154 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.774 4.857 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.898 4.248 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.110 6.885 -5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.500 6.739 -6.370 1.00 0.00 H new ATOM 749 N ILE A 60 -5.570 5.546 -4.553 1.00 0.00 N ATOM 750 CA ILE A 60 -6.432 6.112 -3.501 1.00 0.00 C ATOM 751 C ILE A 60 -6.889 5.063 -2.466 1.00 0.00 C ATOM 752 O ILE A 60 -6.986 5.400 -1.282 1.00 0.00 O ATOM 753 CB ILE A 60 -7.606 6.843 -4.193 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.176 8.186 -4.829 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.841 7.010 -3.297 1.00 0.00 C ATOM 756 CD1 ILE A 60 -6.631 9.247 -3.863 1.00 0.00 C ATOM 0 H ILE A 60 -5.924 5.711 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.863 6.828 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.910 6.183 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.413 7.981 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.034 8.608 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.623 7.531 -3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.204 6.029 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.574 7.589 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.363 10.144 -4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.394 9.494 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.748 8.858 -3.355 1.00 0.00 H new ATOM 767 N THR A 61 -7.116 3.803 -2.865 1.00 0.00 N ATOM 768 CA THR A 61 -7.492 2.697 -1.954 1.00 0.00 C ATOM 769 C THR A 61 -6.430 2.447 -0.885 1.00 0.00 C ATOM 770 O THR A 61 -6.760 2.197 0.276 1.00 0.00 O ATOM 771 CB THR A 61 -7.788 1.438 -2.781 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.055 1.615 -3.358 1.00 0.00 O ATOM 773 CG2 THR A 61 -7.871 0.146 -1.970 1.00 0.00 C ATOM 0 H THR A 61 -7.044 3.513 -3.840 1.00 0.00 H new ATOM 0 HA THR A 61 -8.395 2.980 -1.412 1.00 0.00 H new ATOM 0 HB THR A 61 -6.966 1.330 -3.489 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.549 0.769 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.083 -0.689 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.922 -0.027 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.667 0.231 -1.231 1.00 0.00 H new ATOM 781 N ILE A 62 -5.152 2.536 -1.262 1.00 0.00 N ATOM 782 CA ILE A 62 -4.012 2.275 -0.368 1.00 0.00 C ATOM 783 C ILE A 62 -3.461 3.555 0.284 1.00 0.00 C ATOM 784 O ILE A 62 -3.042 3.492 1.438 1.00 0.00 O ATOM 785 CB ILE A 62 -2.965 1.414 -1.118 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.959 0.783 -0.135 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.267 2.173 -2.257 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.982 -0.193 -0.803 1.00 0.00 C ATOM 0 H ILE A 62 -4.872 2.794 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.346 1.692 0.490 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.511 0.603 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.392 1.577 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.508 0.258 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.546 1.516 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.009 2.499 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.750 3.043 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.303 -0.599 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.540 -1.007 -1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.407 0.332 -1.566 1.00 0.00 H new ATOM 799 N GLN A 63 -3.557 4.720 -0.374 1.00 0.00 N ATOM 800 CA GLN A 63 -3.258 6.034 0.217 1.00 0.00 C ATOM 801 C GLN A 63 -4.000 6.210 1.543 1.00 0.00 C ATOM 802 O GLN A 63 -3.371 6.458 2.572 1.00 0.00 O ATOM 803 CB GLN A 63 -3.660 7.164 -0.758 1.00 0.00 C ATOM 804 CG GLN A 63 -3.426 8.571 -0.167 1.00 0.00 C ATOM 805 CD GLN A 63 -3.968 9.692 -1.051 1.00 0.00 C ATOM 806 OE1 GLN A 63 -3.299 10.167 -1.962 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.183 10.161 -0.814 1.00 0.00 N ATOM 0 H GLN A 63 -3.850 4.777 -1.349 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.186 6.087 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.089 7.062 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.712 7.055 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.899 8.629 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.357 8.721 -0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.743 9.768 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.560 10.915 -1.388 1.00 0.00 H new ATOM 814 N GLU A 64 -5.330 6.075 1.521 1.00 0.00 N ATOM 815 CA GLU A 64 -6.157 6.316 2.702 1.00 0.00 C ATOM 816 C GLU A 64 -5.834 5.327 3.831 1.00 0.00 C ATOM 817 O GLU A 64 -5.818 5.732 4.994 1.00 0.00 O ATOM 818 CB GLU A 64 -7.645 6.252 2.325 1.00 0.00 C ATOM 819 CG GLU A 64 -8.069 7.323 1.304 1.00 0.00 C ATOM 820 CD GLU A 64 -7.880 8.747 1.807 1.00 0.00 C ATOM 821 OE1 GLU A 64 -8.370 9.057 2.917 1.00 0.00 O ATOM 822 OE2 GLU A 64 -7.303 9.579 1.067 1.00 0.00 O ATOM 0 H GLU A 64 -5.857 5.799 0.692 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.931 7.315 3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.866 5.266 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.245 6.365 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.493 7.190 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.117 7.173 1.046 1.00 0.00 H new ATOM 827 N ARG A 65 -5.510 4.070 3.482 1.00 0.00 N ATOM 828 CA ARG A 65 -5.083 3.018 4.413 1.00 0.00 C ATOM 829 C ARG A 65 -3.762 3.356 5.104 1.00 0.00 C ATOM 830 O ARG A 65 -3.611 3.110 6.296 1.00 0.00 O ATOM 831 CB ARG A 65 -4.943 1.691 3.640 1.00 0.00 C ATOM 832 CG ARG A 65 -4.676 0.447 4.511 1.00 0.00 C ATOM 833 CD ARG A 65 -5.683 0.229 5.647 1.00 0.00 C ATOM 834 NE ARG A 65 -7.071 0.387 5.177 1.00 0.00 N ATOM 835 CZ ARG A 65 -8.176 0.276 5.897 1.00 0.00 C ATOM 836 NH1 ARG A 65 -8.185 -0.150 7.142 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.306 0.624 5.330 1.00 0.00 N ATOM 0 H ARG A 65 -5.540 3.751 2.514 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.840 2.930 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.856 1.525 3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.130 1.792 2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.676 -0.435 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.677 0.529 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.551 -0.769 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.487 0.940 6.450 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.193 0.606 4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.311 -0.414 7.597 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.066 -0.216 7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.310 0.965 4.369 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.181 0.554 5.850 1.00 0.00 H new ATOM 848 N ILE A 66 -2.793 3.898 4.370 1.00 0.00 N ATOM 849 CA ILE A 66 -1.487 4.281 4.924 1.00 0.00 C ATOM 850 C ILE A 66 -1.627 5.529 5.805 1.00 0.00 C ATOM 851 O ILE A 66 -1.150 5.535 6.940 1.00 0.00 O ATOM 852 CB ILE A 66 -0.487 4.448 3.758 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.173 3.068 3.126 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.821 5.098 4.235 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.366 3.169 1.696 1.00 0.00 C ATOM 0 H ILE A 66 -2.887 4.086 3.372 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.095 3.503 5.580 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.947 5.099 3.014 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.557 2.549 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.079 2.462 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.504 5.202 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.607 6.082 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.281 4.472 4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.566 2.169 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.372 3.661 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.289 3.749 1.695 1.00 0.00 H new ATOM 866 N ALA A 67 -2.320 6.561 5.316 1.00 0.00 N ATOM 867 CA ALA A 67 -2.451 7.836 6.017 1.00 0.00 C ATOM 868 C ALA A 67 -3.251 7.709 7.335 1.00 0.00 C ATOM 869 O ALA A 67 -2.860 8.294 8.352 1.00 0.00 O ATOM 870 CB ALA A 67 -3.108 8.834 5.054 1.00 0.00 C ATOM 0 H ALA A 67 -2.807 6.533 4.420 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.462 8.188 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.220 9.798 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.483 8.951 4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.089 8.462 4.758 1.00 0.00 H new ATOM 876 N ALA A 68 -4.354 6.941 7.347 1.00 0.00 N ATOM 877 CA ALA A 68 -5.240 6.795 8.509 1.00 0.00 C ATOM 878 C ALA A 68 -4.605 5.994 9.656 1.00 0.00 C ATOM 879 O ALA A 68 -4.821 6.316 10.828 1.00 0.00 O ATOM 880 CB ALA A 68 -6.548 6.134 8.052 1.00 0.00 C ATOM 0 H ALA A 68 -4.657 6.398 6.538 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.432 7.791 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.216 6.020 8.906 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.027 6.758 7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.331 5.154 7.627 1.00 0.00 H new ATOM 886 N LEU A 69 -3.792 4.981 9.334 1.00 0.00 N ATOM 887 CA LEU A 69 -3.079 4.148 10.314 1.00 0.00 C ATOM 888 C LEU A 69 -1.801 4.820 10.867 1.00 0.00 C ATOM 889 O LEU A 69 -1.049 4.196 11.615 1.00 0.00 O ATOM 890 CB LEU A 69 -2.844 2.749 9.700 1.00 0.00 C ATOM 891 CG LEU A 69 -4.044 1.772 9.787 1.00 0.00 C ATOM 892 CD1 LEU A 69 -4.345 1.397 11.246 1.00 0.00 C ATOM 893 CD2 LEU A 69 -5.353 2.275 9.155 1.00 0.00 C ATOM 0 H LEU A 69 -3.607 4.711 8.368 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.700 4.027 11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.574 2.872 8.651 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.989 2.292 10.198 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.715 0.911 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.191 0.711 11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.471 0.916 11.686 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.587 2.297 11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.128 1.517 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.667 3.193 9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.193 2.472 8.095 1.00 0.00 H new ATOM 904 N GLY A 70 -1.582 6.102 10.551 1.00 0.00 N ATOM 905 CA GLY A 70 -0.558 6.958 11.166 1.00 0.00 C ATOM 906 C GLY A 70 0.746 7.050 10.377 1.00 0.00 C ATOM 907 O GLY A 70 1.696 7.676 10.850 1.00 0.00 O ATOM 0 H GLY A 70 -2.128 6.588 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.966 7.961 11.288 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.338 6.580 12.164 1.00 0.00 H new ATOM 911 N TYR A 71 0.806 6.452 9.189 1.00 0.00 N ATOM 912 CA TYR A 71 1.981 6.430 8.314 1.00 0.00 C ATOM 913 C TYR A 71 1.855 7.462 7.172 1.00 0.00 C ATOM 914 O TYR A 71 0.975 8.335 7.198 1.00 0.00 O ATOM 915 CB TYR A 71 2.178 4.986 7.819 1.00 0.00 C ATOM 916 CG TYR A 71 2.301 3.971 8.941 1.00 0.00 C ATOM 917 CD1 TYR A 71 3.535 3.784 9.591 1.00 0.00 C ATOM 918 CD2 TYR A 71 1.168 3.250 9.368 1.00 0.00 C ATOM 919 CE1 TYR A 71 3.639 2.881 10.666 1.00 0.00 C ATOM 920 CE2 TYR A 71 1.262 2.355 10.450 1.00 0.00 C ATOM 921 CZ TYR A 71 2.496 2.176 11.109 1.00 0.00 C ATOM 922 OH TYR A 71 2.578 1.338 12.177 1.00 0.00 O ATOM 0 H TYR A 71 0.011 5.951 8.793 1.00 0.00 H new ATOM 0 HA TYR A 71 2.874 6.731 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.337 4.711 7.182 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.074 4.942 7.200 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.405 4.335 9.264 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.223 3.385 8.863 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.591 2.727 11.152 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.391 1.806 10.775 1.00 0.00 H new ATOM 0 HH TYR A 71 3.520 1.161 12.383 1.00 0.00 H new ATOM 931 N THR A 72 2.762 7.388 6.187 1.00 0.00 N ATOM 932 CA THR A 72 2.881 8.323 5.053 1.00 0.00 C ATOM 933 C THR A 72 3.347 7.586 3.794 1.00 0.00 C ATOM 934 O THR A 72 3.832 6.463 3.906 1.00 0.00 O ATOM 935 CB THR A 72 3.892 9.434 5.389 1.00 0.00 C ATOM 936 OG1 THR A 72 5.114 8.847 5.777 1.00 0.00 O ATOM 937 CG2 THR A 72 3.425 10.366 6.507 1.00 0.00 C ATOM 0 H THR A 72 3.462 6.646 6.155 1.00 0.00 H new ATOM 0 HA THR A 72 1.900 8.761 4.869 1.00 0.00 H new ATOM 0 HB THR A 72 4.001 10.038 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.762 9.551 5.990 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.186 11.124 6.691 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.494 10.851 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.261 9.789 7.417 1.00 0.00 H new ATOM 945 N LEU A 73 3.272 8.210 2.611 1.00 0.00 N ATOM 946 CA LEU A 73 3.743 7.622 1.343 1.00 0.00 C ATOM 947 C LEU A 73 4.188 8.647 0.293 1.00 0.00 C ATOM 948 O LEU A 73 3.825 9.823 0.346 1.00 0.00 O ATOM 949 CB LEU A 73 2.685 6.665 0.738 1.00 0.00 C ATOM 950 CG LEU A 73 1.532 7.300 -0.073 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.650 6.200 -0.677 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.657 8.243 0.756 1.00 0.00 C ATOM 0 H LEU A 73 2.880 9.145 2.503 1.00 0.00 H new ATOM 0 HA LEU A 73 4.636 7.058 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.202 5.957 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.246 6.089 1.553 1.00 0.00 H new ATOM 0 HG LEU A 73 1.999 7.896 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.160 6.655 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.250 5.573 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.232 5.589 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.132 8.654 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.211 7.692 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.268 9.056 1.149 1.00 0.00 H new ATOM 963 N ALA A 74 4.882 8.149 -0.731 1.00 0.00 N ATOM 964 CA ALA A 74 5.036 8.815 -2.020 1.00 0.00 C ATOM 965 C ALA A 74 4.696 7.841 -3.162 1.00 0.00 C ATOM 966 O ALA A 74 5.443 6.892 -3.407 1.00 0.00 O ATOM 967 CB ALA A 74 6.471 9.351 -2.124 1.00 0.00 C ATOM 0 H ALA A 74 5.363 7.251 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 74 4.346 9.655 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.604 9.852 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.654 10.059 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.175 8.523 -2.047 1.00 0.00 H new ATOM 973 N GLU A 75 3.597 8.091 -3.881 1.00 0.00 N ATOM 974 CA GLU A 75 3.280 7.447 -5.166 1.00 0.00 C ATOM 975 C GLU A 75 3.284 8.549 -6.252 1.00 0.00 C ATOM 976 O GLU A 75 2.251 9.191 -6.474 1.00 0.00 O ATOM 977 CB GLU A 75 1.940 6.673 -5.066 1.00 0.00 C ATOM 978 CG GLU A 75 1.875 5.387 -5.911 1.00 0.00 C ATOM 979 CD GLU A 75 2.072 5.593 -7.410 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.135 6.062 -8.100 1.00 0.00 O ATOM 981 OE2 GLU A 75 3.157 5.229 -7.918 1.00 0.00 O ATOM 0 H GLU A 75 2.887 8.760 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 75 4.024 6.698 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.762 6.415 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.130 7.335 -5.373 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.636 4.694 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.908 4.911 -5.748 1.00 0.00 H new ATOM 986 N PRO A 76 4.437 8.866 -6.876 1.00 0.00 N ATOM 987 CA PRO A 76 4.567 10.016 -7.777 1.00 0.00 C ATOM 988 C PRO A 76 3.950 9.804 -9.168 1.00 0.00 C ATOM 989 O PRO A 76 3.831 8.652 -9.648 1.00 0.00 O ATOM 990 CB PRO A 76 6.068 10.320 -7.832 1.00 0.00 C ATOM 991 CG PRO A 76 6.717 8.960 -7.593 1.00 0.00 C ATOM 992 CD PRO A 76 5.752 8.295 -6.610 1.00 0.00 C ATOM 0 HA PRO A 76 3.995 10.862 -7.395 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.357 10.739 -8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.359 11.043 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.812 8.389 -8.516 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.719 9.057 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.741 7.214 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.056 8.482 -5.580 1.00 0.00 H new