USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 39 THR OG1 : rot 180:sc= 0.211 USER MOD Set 1.2: A 45 THR OG1 : rot -150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.0267 (180deg=-0.354) USER MOD Single : A 26 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.38) USER MOD Single : A 33 GLN : amide:sc=-0.00255 X(o=-0.0025,f=-0.33) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 39:sc= 0.109 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -9.7! C(o=-9.7!,f=-18!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.496 10.244 -10.286 1.00 0.00 N ATOM 2 CA GLY A 1 4.368 11.002 -9.054 1.00 0.00 C ATOM 3 C GLY A 1 4.133 12.486 -9.344 1.00 0.00 C ATOM 4 O GLY A 1 5.054 13.295 -9.244 1.00 0.00 O ATOM 0 H1 GLY A 1 4.655 9.241 -10.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.624 10.340 -10.845 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.301 10.607 -10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.540 10.608 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.271 10.884 -8.455 1.00 0.00 H new ATOM 8 N SER A 2 2.894 12.798 -9.700 1.00 0.00 N ATOM 9 CA SER A 2 2.527 14.169 -10.006 1.00 0.00 C ATOM 10 C SER A 2 3.281 14.648 -11.248 1.00 0.00 C ATOM 11 O SER A 2 4.495 14.843 -11.204 1.00 0.00 O ATOM 12 CB SER A 2 2.814 15.093 -8.821 1.00 0.00 C ATOM 13 OG SER A 2 2.510 16.453 -9.120 1.00 0.00 O ATOM 0 H SER A 2 2.133 12.124 -9.783 1.00 0.00 H new ATOM 0 HA SER A 2 1.456 14.200 -10.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.228 14.771 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.864 15.009 -8.542 1.00 0.00 H new ATOM 0 HG SER A 2 2.705 17.011 -8.339 1.00 0.00 H new ATOM 18 N SER A 3 2.531 14.825 -12.325 1.00 0.00 N ATOM 19 CA SER A 3 3.114 15.278 -13.576 1.00 0.00 C ATOM 20 C SER A 3 2.376 16.522 -14.077 1.00 0.00 C ATOM 21 O SER A 3 1.288 16.418 -14.640 1.00 0.00 O ATOM 22 CB SER A 3 3.072 14.174 -14.635 1.00 0.00 C ATOM 23 OG SER A 3 3.658 12.962 -14.167 1.00 0.00 O ATOM 0 H SER A 3 1.524 14.663 -12.357 1.00 0.00 H new ATOM 0 HA SER A 3 4.159 15.531 -13.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.038 13.988 -14.924 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.598 14.509 -15.529 1.00 0.00 H new ATOM 0 HG SER A 3 3.610 12.282 -14.871 1.00 0.00 H new ATOM 28 N GLY A 4 2.999 17.669 -13.855 1.00 0.00 N ATOM 29 CA GLY A 4 2.416 18.932 -14.277 1.00 0.00 C ATOM 30 C GLY A 4 1.633 19.583 -13.135 1.00 0.00 C ATOM 31 O GLY A 4 0.892 18.908 -12.421 1.00 0.00 O ATOM 0 H GLY A 4 3.902 17.751 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.204 19.606 -14.613 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.755 18.765 -15.127 1.00 0.00 H new ATOM 35 N SER A 5 1.823 20.887 -12.997 1.00 0.00 N ATOM 36 CA SER A 5 1.144 21.637 -11.954 1.00 0.00 C ATOM 37 C SER A 5 -0.331 21.230 -11.894 1.00 0.00 C ATOM 38 O SER A 5 -1.084 21.472 -12.835 1.00 0.00 O ATOM 39 CB SER A 5 1.270 23.143 -12.187 1.00 0.00 C ATOM 40 OG SER A 5 1.888 23.804 -11.087 1.00 0.00 O ATOM 0 H SER A 5 2.438 21.444 -13.591 1.00 0.00 H new ATOM 0 HA SER A 5 1.618 21.404 -11.001 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.852 23.322 -13.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.280 23.568 -12.355 1.00 0.00 H new ATOM 0 HG SER A 5 1.951 24.764 -11.276 1.00 0.00 H new ATOM 45 N SER A 6 -0.697 20.619 -10.776 1.00 0.00 N ATOM 46 CA SER A 6 -2.067 20.177 -10.580 1.00 0.00 C ATOM 47 C SER A 6 -2.435 19.129 -11.633 1.00 0.00 C ATOM 48 O SER A 6 -2.021 19.230 -12.786 1.00 0.00 O ATOM 49 CB SER A 6 -3.040 21.355 -10.643 1.00 0.00 C ATOM 50 OG SER A 6 -3.208 21.980 -9.374 1.00 0.00 O ATOM 0 H SER A 6 -0.069 20.420 -9.997 1.00 0.00 H new ATOM 0 HA SER A 6 -2.143 19.730 -9.589 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.675 22.088 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.007 21.007 -11.006 1.00 0.00 H new ATOM 0 HG SER A 6 -3.835 22.728 -9.458 1.00 0.00 H new ATOM 55 N GLY A 7 -3.208 18.145 -11.197 1.00 0.00 N ATOM 56 CA GLY A 7 -3.635 17.079 -12.086 1.00 0.00 C ATOM 57 C GLY A 7 -4.017 15.825 -11.296 1.00 0.00 C ATOM 58 O GLY A 7 -5.172 15.661 -10.905 1.00 0.00 O ATOM 0 H GLY A 7 -3.550 18.064 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.487 17.414 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.834 16.842 -12.786 1.00 0.00 H new ATOM 62 N SER A 8 -3.024 14.973 -11.085 1.00 0.00 N ATOM 63 CA SER A 8 -3.242 13.739 -10.349 1.00 0.00 C ATOM 64 C SER A 8 -2.029 13.435 -9.468 1.00 0.00 C ATOM 65 O SER A 8 -1.070 12.812 -9.920 1.00 0.00 O ATOM 66 CB SER A 8 -3.515 12.571 -11.298 1.00 0.00 C ATOM 67 OG SER A 8 -4.802 12.664 -11.902 1.00 0.00 O ATOM 0 H SER A 8 -2.067 15.113 -11.411 1.00 0.00 H new ATOM 0 HA SER A 8 -4.120 13.869 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.751 12.549 -12.075 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.439 11.632 -10.749 1.00 0.00 H new ATOM 0 HG SER A 8 -4.938 11.901 -12.502 1.00 0.00 H new ATOM 72 N PRO A 9 -2.112 13.902 -8.192 1.00 0.00 N ATOM 73 CA PRO A 9 -1.034 13.686 -7.244 1.00 0.00 C ATOM 74 C PRO A 9 -1.019 12.237 -6.750 1.00 0.00 C ATOM 75 O PRO A 9 -1.999 11.512 -6.913 1.00 0.00 O ATOM 76 CB PRO A 9 -1.281 14.691 -6.131 1.00 0.00 C ATOM 77 CG PRO A 9 -2.736 15.109 -6.263 1.00 0.00 C ATOM 78 CD PRO A 9 -3.233 14.643 -7.623 1.00 0.00 C ATOM 0 HA PRO A 9 -0.049 13.836 -7.686 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.089 14.247 -5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.617 15.550 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.334 14.667 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.832 16.191 -6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.117 14.012 -7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.511 15.487 -8.254 1.00 0.00 H new ATOM 83 N ASP A 10 0.104 11.860 -6.156 1.00 0.00 N ATOM 84 CA ASP A 10 0.259 10.512 -5.637 1.00 0.00 C ATOM 85 C ASP A 10 1.624 10.386 -4.956 1.00 0.00 C ATOM 86 O ASP A 10 2.605 10.972 -5.412 1.00 0.00 O ATOM 87 CB ASP A 10 0.195 9.478 -6.763 1.00 0.00 C ATOM 88 CG ASP A 10 -0.935 8.454 -6.637 1.00 0.00 C ATOM 89 OD1 ASP A 10 -2.059 8.887 -6.306 1.00 0.00 O ATOM 90 OD2 ASP A 10 -0.648 7.261 -6.875 1.00 0.00 O ATOM 0 H ASP A 10 0.915 12.464 -6.023 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.551 10.327 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.085 10.003 -7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.145 8.945 -6.801 1.00 0.00 H new ATOM 94 N VAL A 11 1.643 9.617 -3.878 1.00 0.00 N ATOM 95 CA VAL A 11 2.870 9.406 -3.130 1.00 0.00 C ATOM 96 C VAL A 11 3.589 8.172 -3.677 1.00 0.00 C ATOM 97 O VAL A 11 4.118 7.367 -2.910 1.00 0.00 O ATOM 98 CB VAL A 11 2.562 9.306 -1.635 1.00 0.00 C ATOM 99 CG1 VAL A 11 3.847 9.356 -0.805 1.00 0.00 C ATOM 100 CG2 VAL A 11 1.587 10.402 -1.201 1.00 0.00 C ATOM 0 H VAL A 11 0.827 9.132 -3.504 1.00 0.00 H new ATOM 0 HA VAL A 11 3.543 10.255 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 11 2.085 8.343 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.599 9.283 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.493 8.524 -1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.365 10.297 -0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.385 10.308 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.025 11.379 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.655 10.301 -1.757 1.00 0.00 H new ATOM 110 N GLN A 12 3.587 8.060 -4.996 1.00 0.00 N ATOM 111 CA GLN A 12 4.233 6.937 -5.655 1.00 0.00 C ATOM 112 C GLN A 12 3.568 5.624 -5.236 1.00 0.00 C ATOM 113 O GLN A 12 2.832 5.582 -4.251 1.00 0.00 O ATOM 114 CB GLN A 12 5.732 6.913 -5.353 1.00 0.00 C ATOM 115 CG GLN A 12 6.542 6.630 -6.620 1.00 0.00 C ATOM 116 CD GLN A 12 6.752 5.127 -6.813 1.00 0.00 C ATOM 117 OE1 GLN A 12 7.278 4.433 -5.958 1.00 0.00 O ATOM 118 NE2 GLN A 12 6.312 4.665 -7.980 1.00 0.00 N ATOM 0 H GLN A 12 3.148 8.729 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 12 4.115 7.055 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.036 7.870 -4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.944 6.150 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.025 7.043 -7.486 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.508 7.131 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.881 5.301 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.405 3.674 -8.204 1.00 0.00 H new ATOM 125 N LEU A 13 3.852 4.582 -6.005 1.00 0.00 N ATOM 126 CA LEU A 13 3.292 3.271 -5.726 1.00 0.00 C ATOM 127 C LEU A 13 4.207 2.526 -4.753 1.00 0.00 C ATOM 128 O LEU A 13 3.762 2.073 -3.700 1.00 0.00 O ATOM 129 CB LEU A 13 3.032 2.512 -7.029 1.00 0.00 C ATOM 130 CG LEU A 13 1.567 2.395 -7.456 1.00 0.00 C ATOM 131 CD1 LEU A 13 1.452 1.801 -8.861 1.00 0.00 C ATOM 132 CD2 LEU A 13 0.759 1.599 -6.429 1.00 0.00 C ATOM 0 H LEU A 13 4.463 4.620 -6.821 1.00 0.00 H new ATOM 0 HA LEU A 13 2.321 3.367 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.585 3.004 -7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.442 1.507 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 13 1.141 3.397 -7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.401 1.728 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.973 2.443 -9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.900 0.807 -8.874 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.278 1.531 -6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.177 0.597 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.802 2.102 -5.463 1.00 0.00 H new ATOM 143 N ALA A 14 5.470 2.422 -5.140 1.00 0.00 N ATOM 144 CA ALA A 14 6.452 1.739 -4.314 1.00 0.00 C ATOM 145 C ALA A 14 6.282 2.180 -2.858 1.00 0.00 C ATOM 146 O ALA A 14 5.997 1.360 -1.987 1.00 0.00 O ATOM 147 CB ALA A 14 7.857 2.025 -4.850 1.00 0.00 C ATOM 0 H ALA A 14 5.836 2.799 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 14 6.302 0.660 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.594 1.513 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.934 1.667 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.045 3.098 -4.824 1.00 0.00 H new ATOM 153 N THR A 15 6.466 3.474 -2.640 1.00 0.00 N ATOM 154 CA THR A 15 6.336 4.033 -1.305 1.00 0.00 C ATOM 155 C THR A 15 5.168 3.379 -0.564 1.00 0.00 C ATOM 156 O THR A 15 5.350 2.814 0.513 1.00 0.00 O ATOM 157 CB THR A 15 6.198 5.550 -1.440 1.00 0.00 C ATOM 158 OG1 THR A 15 7.540 6.012 -1.562 1.00 0.00 O ATOM 159 CG2 THR A 15 5.693 6.208 -0.153 1.00 0.00 C ATOM 0 H THR A 15 6.704 4.151 -3.365 1.00 0.00 H new ATOM 0 HA THR A 15 7.219 3.825 -0.701 1.00 0.00 H new ATOM 0 HB THR A 15 5.516 5.781 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.543 6.987 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.613 7.285 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.714 5.803 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.392 6.005 0.658 1.00 0.00 H new ATOM 167 N LEU A 16 3.995 3.478 -1.171 1.00 0.00 N ATOM 168 CA LEU A 16 2.797 2.903 -0.583 1.00 0.00 C ATOM 169 C LEU A 16 3.031 1.415 -0.311 1.00 0.00 C ATOM 170 O LEU A 16 2.857 0.951 0.815 1.00 0.00 O ATOM 171 CB LEU A 16 1.579 3.183 -1.465 1.00 0.00 C ATOM 172 CG LEU A 16 1.160 4.650 -1.583 1.00 0.00 C ATOM 173 CD1 LEU A 16 0.238 4.861 -2.785 1.00 0.00 C ATOM 174 CD2 LEU A 16 0.529 5.147 -0.281 1.00 0.00 C ATOM 0 H LEU A 16 3.848 3.948 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 16 2.581 3.373 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.785 2.803 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.734 2.615 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 16 2.055 5.248 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.045 5.912 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.758 4.572 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.657 4.250 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.240 6.192 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.353 4.549 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.250 5.054 0.531 1.00 0.00 H new ATOM 185 N ALA A 17 3.421 0.709 -1.362 1.00 0.00 N ATOM 186 CA ALA A 17 3.680 -0.717 -1.252 1.00 0.00 C ATOM 187 C ALA A 17 4.394 -0.999 0.072 1.00 0.00 C ATOM 188 O ALA A 17 4.169 -2.038 0.693 1.00 0.00 O ATOM 189 CB ALA A 17 4.489 -1.184 -2.463 1.00 0.00 C ATOM 0 H ALA A 17 3.564 1.098 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 17 2.746 -1.279 -1.249 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.683 -2.253 -2.380 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.925 -0.987 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.436 -0.645 -2.498 1.00 0.00 H new ATOM 195 N GLN A 18 5.239 -0.059 0.465 1.00 0.00 N ATOM 196 CA GLN A 18 5.987 -0.193 1.703 1.00 0.00 C ATOM 197 C GLN A 18 5.032 -0.261 2.896 1.00 0.00 C ATOM 198 O GLN A 18 5.088 -1.202 3.687 1.00 0.00 O ATOM 199 CB GLN A 18 6.988 0.952 1.867 1.00 0.00 C ATOM 200 CG GLN A 18 8.365 0.423 2.271 1.00 0.00 C ATOM 201 CD GLN A 18 9.415 1.536 2.228 1.00 0.00 C ATOM 202 OE1 GLN A 18 9.105 2.713 2.142 1.00 0.00 O ATOM 203 NE2 GLN A 18 10.670 1.100 2.289 1.00 0.00 N ATOM 0 H GLN A 18 5.423 0.800 -0.053 1.00 0.00 H new ATOM 0 HA GLN A 18 6.553 -1.123 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.068 1.507 0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.627 1.650 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.317 0.003 3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.659 -0.385 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.860 0.100 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.443 1.765 2.265 1.00 0.00 H new ATOM 210 N ARG A 19 4.177 0.747 2.986 1.00 0.00 N ATOM 211 CA ARG A 19 3.211 0.813 4.070 1.00 0.00 C ATOM 212 C ARG A 19 2.259 -0.383 4.005 1.00 0.00 C ATOM 213 O ARG A 19 2.290 -1.253 4.873 1.00 0.00 O ATOM 214 CB ARG A 19 2.398 2.108 4.005 1.00 0.00 C ATOM 215 CG ARG A 19 3.306 3.332 4.140 1.00 0.00 C ATOM 216 CD ARG A 19 2.872 4.209 5.317 1.00 0.00 C ATOM 217 NE ARG A 19 3.580 5.508 5.268 1.00 0.00 N ATOM 218 CZ ARG A 19 4.838 5.693 5.690 1.00 0.00 C ATOM 219 NH1 ARG A 19 5.534 4.666 6.194 1.00 0.00 N ATOM 220 NH2 ARG A 19 5.400 6.907 5.608 1.00 0.00 N ATOM 0 H ARG A 19 4.133 1.524 2.327 1.00 0.00 H new ATOM 0 HA ARG A 19 3.764 0.791 5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.857 2.155 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.653 2.114 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.338 3.010 4.283 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.278 3.914 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.795 4.371 5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.088 3.703 6.258 1.00 0.00 H new ATOM 0 HE ARG A 19 3.079 6.312 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.106 3.742 6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.492 4.808 6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.870 7.690 5.224 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.358 7.048 5.929 1.00 0.00 H new ATOM 231 N VAL A 20 1.433 -0.386 2.969 1.00 0.00 N ATOM 232 CA VAL A 20 0.473 -1.459 2.780 1.00 0.00 C ATOM 233 C VAL A 20 1.130 -2.794 3.137 1.00 0.00 C ATOM 234 O VAL A 20 0.517 -3.637 3.788 1.00 0.00 O ATOM 235 CB VAL A 20 -0.074 -1.426 1.351 1.00 0.00 C ATOM 236 CG1 VAL A 20 -1.326 -0.551 1.264 1.00 0.00 C ATOM 237 CG2 VAL A 20 0.995 -0.955 0.365 1.00 0.00 C ATOM 0 H VAL A 20 1.409 0.339 2.251 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.381 -1.329 3.444 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.356 -2.442 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.695 -0.544 0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.096 -0.951 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.081 0.467 1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.580 -0.941 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.323 0.048 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.845 -1.636 0.397 1.00 0.00 H new ATOM 247 N LYS A 21 2.371 -2.943 2.695 1.00 0.00 N ATOM 248 CA LYS A 21 3.118 -4.161 2.961 1.00 0.00 C ATOM 249 C LYS A 21 3.369 -4.283 4.464 1.00 0.00 C ATOM 250 O LYS A 21 3.111 -5.329 5.058 1.00 0.00 O ATOM 251 CB LYS A 21 4.395 -4.200 2.119 1.00 0.00 C ATOM 252 CG LYS A 21 5.233 -5.436 2.450 1.00 0.00 C ATOM 253 CD LYS A 21 5.418 -6.320 1.216 1.00 0.00 C ATOM 254 CE LYS A 21 5.933 -7.708 1.607 1.00 0.00 C ATOM 255 NZ LYS A 21 6.962 -7.599 2.665 1.00 0.00 N ATOM 0 H LYS A 21 2.877 -2.241 2.155 1.00 0.00 H new ATOM 0 HA LYS A 21 2.540 -5.035 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.137 -4.205 1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.982 -3.299 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.207 -5.128 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.748 -6.007 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.470 -6.416 0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.120 -5.848 0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.105 -8.324 1.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.353 -8.206 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.523 -8.474 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.587 -6.794 2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.500 -7.452 3.585 1.00 0.00 H new ATOM 265 N GLU A 22 3.870 -3.198 5.038 1.00 0.00 N ATOM 266 CA GLU A 22 4.159 -3.171 6.462 1.00 0.00 C ATOM 267 C GLU A 22 2.967 -3.709 7.256 1.00 0.00 C ATOM 268 O GLU A 22 3.138 -4.510 8.174 1.00 0.00 O ATOM 269 CB GLU A 22 4.529 -1.758 6.919 1.00 0.00 C ATOM 270 CG GLU A 22 5.584 -1.799 8.027 1.00 0.00 C ATOM 271 CD GLU A 22 5.066 -2.561 9.249 1.00 0.00 C ATOM 272 OE1 GLU A 22 4.055 -2.099 9.819 1.00 0.00 O ATOM 273 OE2 GLU A 22 5.694 -3.588 9.584 1.00 0.00 O ATOM 0 H GLU A 22 4.083 -2.332 4.543 1.00 0.00 H new ATOM 0 HA GLU A 22 5.017 -3.816 6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.908 -1.185 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.638 -1.243 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.490 -2.276 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.854 -0.783 8.315 1.00 0.00 H new ATOM 278 N VAL A 23 1.785 -3.247 6.874 1.00 0.00 N ATOM 279 CA VAL A 23 0.565 -3.672 7.540 1.00 0.00 C ATOM 280 C VAL A 23 0.318 -5.153 7.244 1.00 0.00 C ATOM 281 O VAL A 23 -0.022 -5.921 8.143 1.00 0.00 O ATOM 282 CB VAL A 23 -0.601 -2.776 7.117 1.00 0.00 C ATOM 283 CG1 VAL A 23 -1.941 -3.389 7.529 1.00 0.00 C ATOM 284 CG2 VAL A 23 -0.444 -1.366 7.688 1.00 0.00 C ATOM 0 H VAL A 23 1.646 -2.583 6.112 1.00 0.00 H new ATOM 0 HA VAL A 23 0.663 -3.567 8.621 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.588 -2.700 6.030 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.753 -2.732 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.058 -4.362 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.968 -3.510 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.286 -0.750 7.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.418 -1.415 8.777 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.484 -0.927 7.323 1.00 0.00 H new ATOM 294 N LEU A 24 0.500 -5.510 5.982 1.00 0.00 N ATOM 295 CA LEU A 24 0.301 -6.886 5.557 1.00 0.00 C ATOM 296 C LEU A 24 1.487 -7.326 4.698 1.00 0.00 C ATOM 297 O LEU A 24 1.485 -7.134 3.483 1.00 0.00 O ATOM 298 CB LEU A 24 -1.053 -7.042 4.862 1.00 0.00 C ATOM 299 CG LEU A 24 -2.286 -6.760 5.723 1.00 0.00 C ATOM 300 CD1 LEU A 24 -3.460 -6.289 4.863 1.00 0.00 C ATOM 301 CD2 LEU A 24 -2.650 -7.978 6.573 1.00 0.00 C ATOM 0 H LEU A 24 0.783 -4.871 5.239 1.00 0.00 H new ATOM 0 HA LEU A 24 0.268 -7.550 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.076 -6.375 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.127 -8.060 4.479 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.045 -5.948 6.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.323 -6.096 5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.183 -5.374 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.711 -7.061 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.530 -7.751 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.865 -8.825 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.815 -8.227 7.228 1.00 0.00 H new ATOM 312 N PRO A 25 2.500 -7.925 5.380 1.00 0.00 N ATOM 313 CA PRO A 25 3.691 -8.395 4.692 1.00 0.00 C ATOM 314 C PRO A 25 3.404 -9.683 3.918 1.00 0.00 C ATOM 315 O PRO A 25 4.108 -10.006 2.963 1.00 0.00 O ATOM 316 CB PRO A 25 4.730 -8.577 5.786 1.00 0.00 C ATOM 317 CG PRO A 25 3.954 -8.652 7.091 1.00 0.00 C ATOM 318 CD PRO A 25 2.539 -8.170 6.819 1.00 0.00 C ATOM 0 HA PRO A 25 4.046 -7.694 3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.312 -9.485 5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.434 -7.745 5.798 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.943 -9.674 7.471 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.428 -8.034 7.853 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.803 -8.918 7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.315 -7.263 7.381 1.00 0.00 H new ATOM 323 N HIS A 26 2.371 -10.384 4.360 1.00 0.00 N ATOM 324 CA HIS A 26 1.983 -11.630 3.720 1.00 0.00 C ATOM 325 C HIS A 26 1.655 -11.370 2.248 1.00 0.00 C ATOM 326 O HIS A 26 2.284 -11.941 1.358 1.00 0.00 O ATOM 327 CB HIS A 26 0.830 -12.293 4.477 1.00 0.00 C ATOM 328 CG HIS A 26 0.927 -12.166 5.978 1.00 0.00 C ATOM 329 ND1 HIS A 26 0.192 -11.243 6.701 1.00 0.00 N ATOM 330 CD2 HIS A 26 1.680 -12.853 6.884 1.00 0.00 C ATOM 331 CE1 HIS A 26 0.496 -11.378 7.984 1.00 0.00 C ATOM 332 NE2 HIS A 26 1.419 -12.376 8.095 1.00 0.00 N ATOM 0 H HIS A 26 1.790 -10.113 5.154 1.00 0.00 H new ATOM 0 HA HIS A 26 2.814 -12.334 3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.110 -11.852 4.145 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.796 -13.350 4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.372 -13.650 6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.085 -10.800 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.839 -12.702 8.965 1.00 0.00 H new ATOM 339 N VAL A 27 0.671 -10.509 2.038 1.00 0.00 N ATOM 340 CA VAL A 27 0.251 -10.168 0.689 1.00 0.00 C ATOM 341 C VAL A 27 1.487 -9.904 -0.174 1.00 0.00 C ATOM 342 O VAL A 27 2.472 -9.341 0.302 1.00 0.00 O ATOM 343 CB VAL A 27 -0.716 -8.982 0.726 1.00 0.00 C ATOM 344 CG1 VAL A 27 -0.162 -7.849 1.594 1.00 0.00 C ATOM 345 CG2 VAL A 27 -1.030 -8.487 -0.686 1.00 0.00 C ATOM 0 H VAL A 27 0.152 -10.037 2.779 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.291 -10.999 0.236 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.648 -9.324 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.868 -7.019 1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.013 -8.210 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.790 -7.510 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.719 -7.644 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.108 -8.171 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.487 -9.293 -1.261 1.00 0.00 H new ATOM 355 N PRO A 28 1.392 -10.335 -1.459 1.00 0.00 N ATOM 356 CA PRO A 28 2.491 -10.151 -2.393 1.00 0.00 C ATOM 357 C PRO A 28 2.584 -8.694 -2.851 1.00 0.00 C ATOM 358 O PRO A 28 1.666 -7.907 -2.621 1.00 0.00 O ATOM 359 CB PRO A 28 2.204 -11.115 -3.533 1.00 0.00 C ATOM 360 CG PRO A 28 0.728 -11.462 -3.424 1.00 0.00 C ATOM 361 CD PRO A 28 0.242 -11.005 -2.058 1.00 0.00 C ATOM 0 HA PRO A 28 3.463 -10.362 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.428 -10.658 -4.497 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.822 -12.009 -3.453 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.161 -10.971 -4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.578 -12.535 -3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.608 -10.329 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.084 -11.850 -1.451 1.00 0.00 H new ATOM 366 N LEU A 29 3.700 -8.378 -3.491 1.00 0.00 N ATOM 367 CA LEU A 29 3.925 -7.030 -3.983 1.00 0.00 C ATOM 368 C LEU A 29 3.212 -6.856 -5.325 1.00 0.00 C ATOM 369 O LEU A 29 2.498 -5.876 -5.531 1.00 0.00 O ATOM 370 CB LEU A 29 5.422 -6.722 -4.038 1.00 0.00 C ATOM 371 CG LEU A 29 6.111 -6.500 -2.689 1.00 0.00 C ATOM 372 CD1 LEU A 29 7.592 -6.165 -2.878 1.00 0.00 C ATOM 373 CD2 LEU A 29 5.382 -5.434 -1.869 1.00 0.00 C ATOM 0 H LEU A 29 4.459 -9.033 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 29 3.498 -6.298 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.923 -7.544 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.567 -5.831 -4.649 1.00 0.00 H new ATOM 0 HG LEU A 29 6.061 -7.430 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.058 -6.012 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.088 -6.988 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.686 -5.256 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.892 -5.296 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.378 -4.492 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.355 -5.753 -1.688 1.00 0.00 H new ATOM 384 N GLY A 30 3.431 -7.823 -6.205 1.00 0.00 N ATOM 385 CA GLY A 30 2.818 -7.789 -7.522 1.00 0.00 C ATOM 386 C GLY A 30 1.343 -7.394 -7.432 1.00 0.00 C ATOM 387 O GLY A 30 0.865 -6.583 -8.223 1.00 0.00 O ATOM 0 H GLY A 30 4.024 -8.634 -6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.350 -7.080 -8.156 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.908 -8.768 -7.994 1.00 0.00 H new ATOM 391 N VAL A 31 0.664 -7.985 -6.459 1.00 0.00 N ATOM 392 CA VAL A 31 -0.747 -7.704 -6.255 1.00 0.00 C ATOM 393 C VAL A 31 -0.900 -6.321 -5.618 1.00 0.00 C ATOM 394 O VAL A 31 -1.698 -5.507 -6.080 1.00 0.00 O ATOM 395 CB VAL A 31 -1.387 -8.819 -5.425 1.00 0.00 C ATOM 396 CG1 VAL A 31 -1.266 -8.526 -3.927 1.00 0.00 C ATOM 397 CG2 VAL A 31 -2.848 -9.031 -5.825 1.00 0.00 C ATOM 0 H VAL A 31 1.065 -8.657 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.275 -7.683 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.846 -9.742 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.729 -9.334 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.213 -8.449 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.770 -7.587 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.279 -9.829 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.407 -8.110 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.901 -9.306 -6.878 1.00 0.00 H new ATOM 407 N ILE A 32 -0.123 -6.099 -4.568 1.00 0.00 N ATOM 408 CA ILE A 32 -0.163 -4.829 -3.863 1.00 0.00 C ATOM 409 C ILE A 32 -0.075 -3.686 -4.877 1.00 0.00 C ATOM 410 O ILE A 32 -0.961 -2.835 -4.938 1.00 0.00 O ATOM 411 CB ILE A 32 0.921 -4.780 -2.786 1.00 0.00 C ATOM 412 CG1 ILE A 32 0.529 -5.629 -1.574 1.00 0.00 C ATOM 413 CG2 ILE A 32 1.240 -3.336 -2.394 1.00 0.00 C ATOM 414 CD1 ILE A 32 1.765 -6.067 -0.787 1.00 0.00 C ATOM 0 H ILE A 32 0.538 -6.777 -4.188 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.110 -4.716 -3.335 1.00 0.00 H new ATOM 0 HB ILE A 32 1.833 -5.210 -3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.136 -5.058 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.025 -6.507 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.014 -3.330 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.593 -2.791 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.341 -2.857 -2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.457 -6.669 0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.416 -6.658 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.304 -5.187 -0.437 1.00 0.00 H new ATOM 425 N GLN A 33 1.003 -3.702 -5.647 1.00 0.00 N ATOM 426 CA GLN A 33 1.219 -2.678 -6.654 1.00 0.00 C ATOM 427 C GLN A 33 -0.089 -2.366 -7.383 1.00 0.00 C ATOM 428 O GLN A 33 -0.469 -1.203 -7.515 1.00 0.00 O ATOM 429 CB GLN A 33 2.310 -3.100 -7.641 1.00 0.00 C ATOM 430 CG GLN A 33 3.702 -2.890 -7.044 1.00 0.00 C ATOM 431 CD GLN A 33 4.787 -3.422 -7.982 1.00 0.00 C ATOM 432 OE1 GLN A 33 4.704 -4.519 -8.510 1.00 0.00 O ATOM 433 NE2 GLN A 33 5.806 -2.587 -8.158 1.00 0.00 N ATOM 0 H GLN A 33 1.737 -4.409 -5.593 1.00 0.00 H new ATOM 0 HA GLN A 33 1.559 -1.771 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.179 -4.149 -7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.215 -2.524 -8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.865 -1.828 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.769 -3.396 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.812 -1.683 -7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.582 -2.850 -8.766 1.00 0.00 H new ATOM 440 N ARG A 34 -0.744 -3.424 -7.837 1.00 0.00 N ATOM 441 CA ARG A 34 -2.002 -3.278 -8.549 1.00 0.00 C ATOM 442 C ARG A 34 -3.110 -2.848 -7.586 1.00 0.00 C ATOM 443 O ARG A 34 -3.728 -1.801 -7.773 1.00 0.00 O ATOM 444 CB ARG A 34 -2.406 -4.588 -9.227 1.00 0.00 C ATOM 445 CG ARG A 34 -1.955 -4.611 -10.689 1.00 0.00 C ATOM 446 CD ARG A 34 -3.082 -5.094 -11.605 1.00 0.00 C ATOM 447 NE ARG A 34 -2.631 -6.266 -12.387 1.00 0.00 N ATOM 448 CZ ARG A 34 -2.438 -7.486 -11.870 1.00 0.00 C ATOM 449 NH1 ARG A 34 -2.654 -7.702 -10.564 1.00 0.00 N ATOM 450 NH2 ARG A 34 -2.027 -8.491 -12.655 1.00 0.00 N ATOM 0 H ARG A 34 -0.427 -4.387 -7.725 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.863 -2.514 -9.314 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.964 -5.429 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.488 -4.710 -9.175 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.639 -3.613 -10.991 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.090 -5.265 -10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.957 -5.358 -11.011 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.384 -4.292 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.456 -6.136 -13.383 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.965 -6.937 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.507 -8.631 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.861 -8.327 -13.648 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.880 -9.420 -12.260 1.00 0.00 H new ATOM 461 N ASP A 35 -3.328 -3.677 -6.576 1.00 0.00 N ATOM 462 CA ASP A 35 -4.350 -3.396 -5.583 1.00 0.00 C ATOM 463 C ASP A 35 -4.328 -1.904 -5.244 1.00 0.00 C ATOM 464 O ASP A 35 -5.378 -1.286 -5.074 1.00 0.00 O ATOM 465 CB ASP A 35 -4.096 -4.178 -4.293 1.00 0.00 C ATOM 466 CG ASP A 35 -4.875 -5.488 -4.167 1.00 0.00 C ATOM 467 OD1 ASP A 35 -5.362 -5.962 -5.216 1.00 0.00 O ATOM 468 OD2 ASP A 35 -4.966 -5.987 -3.025 1.00 0.00 O ATOM 0 H ASP A 35 -2.813 -4.544 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.314 -3.691 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.031 -4.398 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.346 -3.541 -3.445 1.00 0.00 H new ATOM 472 N LEU A 36 -3.120 -1.368 -5.155 1.00 0.00 N ATOM 473 CA LEU A 36 -2.947 0.040 -4.839 1.00 0.00 C ATOM 474 C LEU A 36 -3.712 0.885 -5.859 1.00 0.00 C ATOM 475 O LEU A 36 -4.621 1.631 -5.496 1.00 0.00 O ATOM 476 CB LEU A 36 -1.460 0.389 -4.742 1.00 0.00 C ATOM 477 CG LEU A 36 -0.755 -0.030 -3.451 1.00 0.00 C ATOM 478 CD1 LEU A 36 0.757 0.169 -3.563 1.00 0.00 C ATOM 479 CD2 LEU A 36 -1.342 0.704 -2.244 1.00 0.00 C ATOM 0 H LEU A 36 -2.251 -1.883 -5.296 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.368 0.265 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.943 -0.075 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.352 1.467 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.929 -1.095 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.234 -0.136 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.144 -0.435 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.972 1.220 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.823 0.388 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.219 1.779 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.403 0.469 -2.155 1.00 0.00 H new ATOM 490 N ALA A 37 -3.318 0.739 -7.115 1.00 0.00 N ATOM 491 CA ALA A 37 -3.955 1.480 -8.191 1.00 0.00 C ATOM 492 C ALA A 37 -5.462 1.216 -8.162 1.00 0.00 C ATOM 493 O ALA A 37 -6.260 2.125 -8.390 1.00 0.00 O ATOM 494 CB ALA A 37 -3.320 1.089 -9.527 1.00 0.00 C ATOM 0 H ALA A 37 -2.565 0.118 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.805 2.552 -8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.798 1.645 -10.334 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.256 1.323 -9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.453 0.020 -9.694 1.00 0.00 H new ATOM 500 N LYS A 38 -5.807 -0.031 -7.881 1.00 0.00 N ATOM 501 CA LYS A 38 -7.204 -0.426 -7.820 1.00 0.00 C ATOM 502 C LYS A 38 -7.998 0.640 -7.063 1.00 0.00 C ATOM 503 O LYS A 38 -9.032 1.105 -7.541 1.00 0.00 O ATOM 504 CB LYS A 38 -7.339 -1.829 -7.226 1.00 0.00 C ATOM 505 CG LYS A 38 -7.828 -2.826 -8.280 1.00 0.00 C ATOM 506 CD LYS A 38 -6.733 -3.118 -9.309 1.00 0.00 C ATOM 507 CE LYS A 38 -7.099 -2.540 -10.677 1.00 0.00 C ATOM 508 NZ LYS A 38 -5.908 -2.493 -11.554 1.00 0.00 N ATOM 0 H LYS A 38 -5.143 -0.782 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.626 -0.487 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.377 -2.155 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.037 -1.808 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.133 -3.753 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.708 -2.426 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.788 -2.692 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.585 -4.195 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.875 -3.149 -11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.510 -1.537 -10.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.173 -2.098 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.179 -1.893 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.533 -3.455 -11.683 1.00 0.00 H new ATOM 518 N THR A 39 -7.484 0.998 -5.895 1.00 0.00 N ATOM 519 CA THR A 39 -8.133 2.000 -5.068 1.00 0.00 C ATOM 520 C THR A 39 -7.294 3.279 -5.024 1.00 0.00 C ATOM 521 O THR A 39 -7.663 4.289 -5.619 1.00 0.00 O ATOM 522 CB THR A 39 -8.380 1.388 -3.687 1.00 0.00 C ATOM 523 OG1 THR A 39 -7.123 0.817 -3.332 1.00 0.00 O ATOM 524 CG2 THR A 39 -9.332 0.191 -3.740 1.00 0.00 C ATOM 0 H THR A 39 -6.626 0.612 -5.502 1.00 0.00 H new ATOM 0 HA THR A 39 -9.096 2.293 -5.486 1.00 0.00 H new ATOM 0 HB THR A 39 -8.788 2.147 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.190 0.405 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.474 -0.206 -2.735 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.293 0.508 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.908 -0.583 -4.379 1.00 0.00 H new ATOM 532 N GLY A 40 -6.180 3.193 -4.312 1.00 0.00 N ATOM 533 CA GLY A 40 -5.285 4.331 -4.181 1.00 0.00 C ATOM 534 C GLY A 40 -5.252 4.841 -2.739 1.00 0.00 C ATOM 535 O GLY A 40 -5.071 6.034 -2.504 1.00 0.00 O ATOM 0 H GLY A 40 -5.876 2.353 -3.820 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.280 4.045 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.609 5.131 -4.846 1.00 0.00 H new ATOM 539 N CYS A 41 -5.430 3.912 -1.812 1.00 0.00 N ATOM 540 CA CYS A 41 -5.424 4.252 -0.399 1.00 0.00 C ATOM 541 C CYS A 41 -4.997 3.013 0.391 1.00 0.00 C ATOM 542 O CYS A 41 -5.738 2.034 0.465 1.00 0.00 O ATOM 543 CB CYS A 41 -6.782 4.783 0.061 1.00 0.00 C ATOM 544 SG CYS A 41 -6.733 6.608 0.181 1.00 0.00 S ATOM 0 H CYS A 41 -5.579 2.923 -2.012 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.713 5.059 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.558 4.477 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.041 4.354 1.029 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.044 7.090 -0.810 1.00 0.00 H new ATOM 549 N VAL A 42 -3.805 3.097 0.963 1.00 0.00 N ATOM 550 CA VAL A 42 -3.271 1.995 1.747 1.00 0.00 C ATOM 551 C VAL A 42 -4.390 1.392 2.598 1.00 0.00 C ATOM 552 O VAL A 42 -4.592 0.178 2.594 1.00 0.00 O ATOM 553 CB VAL A 42 -2.079 2.473 2.577 1.00 0.00 C ATOM 554 CG1 VAL A 42 -0.861 2.738 1.689 1.00 0.00 C ATOM 555 CG2 VAL A 42 -2.442 3.716 3.394 1.00 0.00 C ATOM 0 H VAL A 42 -3.193 3.911 0.900 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.899 1.206 1.094 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.818 1.677 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.028 3.077 2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.581 1.820 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.106 3.506 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.577 4.035 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.743 4.519 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.265 3.480 4.069 1.00 0.00 H new ATOM 565 N ASP A 43 -5.088 2.267 3.306 1.00 0.00 N ATOM 566 CA ASP A 43 -6.181 1.835 4.161 1.00 0.00 C ATOM 567 C ASP A 43 -7.194 1.047 3.328 1.00 0.00 C ATOM 568 O ASP A 43 -7.491 -0.106 3.635 1.00 0.00 O ATOM 569 CB ASP A 43 -6.906 3.033 4.776 1.00 0.00 C ATOM 570 CG ASP A 43 -6.046 3.911 5.686 1.00 0.00 C ATOM 571 OD1 ASP A 43 -5.880 3.519 6.861 1.00 0.00 O ATOM 572 OD2 ASP A 43 -5.575 4.957 5.188 1.00 0.00 O ATOM 0 H ASP A 43 -4.918 3.273 3.305 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.763 1.219 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.304 3.650 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.759 2.668 5.349 1.00 0.00 H new ATOM 576 N LEU A 44 -7.694 1.700 2.289 1.00 0.00 N ATOM 577 CA LEU A 44 -8.666 1.075 1.409 1.00 0.00 C ATOM 578 C LEU A 44 -8.161 -0.310 1.000 1.00 0.00 C ATOM 579 O LEU A 44 -8.894 -1.294 1.091 1.00 0.00 O ATOM 580 CB LEU A 44 -8.983 1.989 0.224 1.00 0.00 C ATOM 581 CG LEU A 44 -10.380 2.613 0.212 1.00 0.00 C ATOM 582 CD1 LEU A 44 -10.593 3.503 1.438 1.00 0.00 C ATOM 583 CD2 LEU A 44 -10.632 3.367 -1.095 1.00 0.00 C ATOM 0 H LEU A 44 -7.444 2.656 2.037 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.612 0.929 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.248 2.793 0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.855 1.417 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.114 1.809 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.594 3.934 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.484 2.907 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.853 4.303 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.632 3.801 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.894 4.161 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.550 2.677 -1.935 1.00 0.00 H new ATOM 594 N THR A 45 -6.912 -0.343 0.558 1.00 0.00 N ATOM 595 CA THR A 45 -6.301 -1.591 0.135 1.00 0.00 C ATOM 596 C THR A 45 -6.509 -2.673 1.196 1.00 0.00 C ATOM 597 O THR A 45 -7.068 -3.730 0.908 1.00 0.00 O ATOM 598 CB THR A 45 -4.828 -1.314 -0.172 1.00 0.00 C ATOM 599 OG1 THR A 45 -4.840 -0.801 -1.502 1.00 0.00 O ATOM 600 CG2 THR A 45 -4.001 -2.598 -0.276 1.00 0.00 C ATOM 0 H THR A 45 -6.307 0.475 0.484 1.00 0.00 H new ATOM 0 HA THR A 45 -6.770 -1.975 -0.771 1.00 0.00 H new ATOM 0 HB THR A 45 -4.410 -0.674 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.000 -1.034 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.963 -2.346 -0.495 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.051 -3.141 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.399 -3.223 -1.075 1.00 0.00 H new ATOM 608 N ILE A 46 -6.045 -2.373 2.400 1.00 0.00 N ATOM 609 CA ILE A 46 -6.173 -3.307 3.505 1.00 0.00 C ATOM 610 C ILE A 46 -7.569 -3.932 3.481 1.00 0.00 C ATOM 611 O ILE A 46 -7.708 -5.154 3.511 1.00 0.00 O ATOM 612 CB ILE A 46 -5.830 -2.621 4.829 1.00 0.00 C ATOM 613 CG1 ILE A 46 -4.317 -2.595 5.057 1.00 0.00 C ATOM 614 CG2 ILE A 46 -6.573 -3.275 5.995 1.00 0.00 C ATOM 615 CD1 ILE A 46 -3.832 -1.175 5.353 1.00 0.00 C ATOM 0 H ILE A 46 -5.580 -1.496 2.634 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.457 -4.122 3.399 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.166 -1.586 4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.059 -3.252 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.806 -2.981 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.311 -2.768 6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.648 -3.198 5.830 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.291 -4.326 6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.754 -1.184 5.511 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.069 -0.526 4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.327 -0.801 6.249 1.00 0.00 H new ATOM 626 N THR A 47 -8.571 -3.065 3.425 1.00 0.00 N ATOM 627 CA THR A 47 -9.951 -3.517 3.396 1.00 0.00 C ATOM 628 C THR A 47 -10.249 -4.236 2.080 1.00 0.00 C ATOM 629 O THR A 47 -10.866 -5.300 2.075 1.00 0.00 O ATOM 630 CB THR A 47 -10.851 -2.303 3.643 1.00 0.00 C ATOM 631 OG1 THR A 47 -10.929 -2.213 5.063 1.00 0.00 O ATOM 632 CG2 THR A 47 -12.296 -2.547 3.204 1.00 0.00 C ATOM 0 H THR A 47 -8.453 -2.052 3.399 1.00 0.00 H new ATOM 0 HA THR A 47 -10.144 -4.249 4.180 1.00 0.00 H new ATOM 0 HB THR A 47 -10.451 -1.440 3.111 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.493 -1.451 5.312 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.892 -1.656 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.319 -2.771 2.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.708 -3.389 3.760 1.00 0.00 H new ATOM 640 N ASN A 48 -9.796 -3.627 0.993 1.00 0.00 N ATOM 641 CA ASN A 48 -10.006 -4.196 -0.326 1.00 0.00 C ATOM 642 C ASN A 48 -9.509 -5.642 -0.338 1.00 0.00 C ATOM 643 O ASN A 48 -10.117 -6.507 -0.968 1.00 0.00 O ATOM 644 CB ASN A 48 -9.229 -3.420 -1.391 1.00 0.00 C ATOM 645 CG ASN A 48 -9.803 -2.013 -1.572 1.00 0.00 C ATOM 646 OD1 ASN A 48 -9.159 -1.013 -1.303 1.00 0.00 O ATOM 647 ND2 ASN A 48 -11.047 -1.993 -2.043 1.00 0.00 N ATOM 0 H ASN A 48 -9.284 -2.745 1.000 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.072 -4.145 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.179 -3.354 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.268 -3.957 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.519 -1.102 -2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.529 -2.868 -2.248 1.00 0.00 H new ATOM 653 N LEU A 49 -8.408 -5.862 0.365 1.00 0.00 N ATOM 654 CA LEU A 49 -7.821 -7.189 0.442 1.00 0.00 C ATOM 655 C LEU A 49 -8.820 -8.146 1.097 1.00 0.00 C ATOM 656 O LEU A 49 -9.222 -9.138 0.491 1.00 0.00 O ATOM 657 CB LEU A 49 -6.467 -7.136 1.153 1.00 0.00 C ATOM 658 CG LEU A 49 -5.268 -6.758 0.281 1.00 0.00 C ATOM 659 CD1 LEU A 49 -4.154 -6.132 1.122 1.00 0.00 C ATOM 660 CD2 LEU A 49 -4.772 -7.962 -0.521 1.00 0.00 C ATOM 0 H LEU A 49 -7.907 -5.143 0.887 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.616 -7.573 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.536 -6.420 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.274 -8.112 1.599 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.592 -6.004 -0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.314 -5.873 0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.528 -5.232 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.825 -6.845 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.919 -7.666 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.470 -8.755 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.572 -8.324 -1.166 1.00 0.00 H new ATOM 671 N LEU A 50 -9.194 -7.813 2.323 1.00 0.00 N ATOM 672 CA LEU A 50 -10.139 -8.631 3.065 1.00 0.00 C ATOM 673 C LEU A 50 -11.405 -8.824 2.230 1.00 0.00 C ATOM 674 O LEU A 50 -11.737 -9.946 1.849 1.00 0.00 O ATOM 675 CB LEU A 50 -10.400 -8.027 4.447 1.00 0.00 C ATOM 676 CG LEU A 50 -9.545 -8.576 5.591 1.00 0.00 C ATOM 677 CD1 LEU A 50 -9.916 -10.028 5.905 1.00 0.00 C ATOM 678 CD2 LEU A 50 -8.054 -8.419 5.287 1.00 0.00 C ATOM 0 H LEU A 50 -8.860 -6.988 2.822 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.724 -9.622 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.243 -6.950 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.449 -8.182 4.697 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.754 -7.989 6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.294 -10.394 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.965 -10.081 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.754 -10.644 5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.470 -8.817 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.809 -8.965 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.819 -7.363 5.152 1.00 0.00 H new ATOM 689 N GLU A 51 -12.079 -7.713 1.969 1.00 0.00 N ATOM 690 CA GLU A 51 -13.302 -7.747 1.186 1.00 0.00 C ATOM 691 C GLU A 51 -13.070 -8.497 -0.127 1.00 0.00 C ATOM 692 O GLU A 51 -13.499 -9.641 -0.278 1.00 0.00 O ATOM 693 CB GLU A 51 -13.825 -6.333 0.924 1.00 0.00 C ATOM 694 CG GLU A 51 -14.682 -5.841 2.091 1.00 0.00 C ATOM 695 CD GLU A 51 -16.140 -6.273 1.921 1.00 0.00 C ATOM 696 OE1 GLU A 51 -16.848 -5.590 1.150 1.00 0.00 O ATOM 697 OE2 GLU A 51 -16.514 -7.276 2.566 1.00 0.00 O ATOM 0 H GLU A 51 -11.801 -6.784 2.286 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.062 -8.280 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.986 -5.654 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.413 -6.323 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.289 -6.236 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.626 -4.754 2.155 1.00 0.00 H new ATOM 702 N GLY A 52 -12.395 -7.823 -1.046 1.00 0.00 N ATOM 703 CA GLY A 52 -12.101 -8.412 -2.342 1.00 0.00 C ATOM 704 C GLY A 52 -12.858 -7.687 -3.457 1.00 0.00 C ATOM 705 O GLY A 52 -13.723 -8.273 -4.107 1.00 0.00 O ATOM 0 H GLY A 52 -12.043 -6.874 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.029 -8.363 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.376 -9.467 -2.337 1.00 0.00 H new ATOM 709 N ALA A 53 -12.505 -6.424 -3.645 1.00 0.00 N ATOM 710 CA ALA A 53 -13.139 -5.614 -4.671 1.00 0.00 C ATOM 711 C ALA A 53 -12.327 -5.707 -5.964 1.00 0.00 C ATOM 712 O ALA A 53 -12.445 -6.681 -6.706 1.00 0.00 O ATOM 713 CB ALA A 53 -13.277 -4.174 -4.171 1.00 0.00 C ATOM 0 H ALA A 53 -11.788 -5.942 -3.104 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.142 -5.983 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.753 -3.566 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.887 -4.159 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.289 -3.770 -3.948 1.00 0.00 H new ATOM 719 N VAL A 54 -11.520 -4.682 -6.194 1.00 0.00 N ATOM 720 CA VAL A 54 -10.689 -4.635 -7.385 1.00 0.00 C ATOM 721 C VAL A 54 -11.584 -4.540 -8.622 1.00 0.00 C ATOM 722 O VAL A 54 -12.512 -5.331 -8.784 1.00 0.00 O ATOM 723 CB VAL A 54 -9.753 -5.845 -7.415 1.00 0.00 C ATOM 724 CG1 VAL A 54 -8.900 -5.845 -8.686 1.00 0.00 C ATOM 725 CG2 VAL A 54 -8.873 -5.889 -6.164 1.00 0.00 C ATOM 0 H VAL A 54 -11.424 -3.877 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.054 -3.749 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 54 -10.368 -6.745 -7.423 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.243 -6.715 -8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.550 -5.883 -9.560 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.299 -4.937 -8.721 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.217 -6.759 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.270 -4.982 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -9.504 -5.957 -5.278 1.00 0.00 H new ATOM 735 N ALA A 55 -11.271 -3.566 -9.464 1.00 0.00 N ATOM 736 CA ALA A 55 -12.035 -3.357 -10.683 1.00 0.00 C ATOM 737 C ALA A 55 -11.941 -4.608 -11.560 1.00 0.00 C ATOM 738 O ALA A 55 -10.844 -5.059 -11.888 1.00 0.00 O ATOM 739 CB ALA A 55 -11.524 -2.104 -11.398 1.00 0.00 C ATOM 0 H ALA A 55 -10.499 -2.913 -9.327 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.088 -3.194 -10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.097 -1.947 -12.312 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.640 -1.239 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.471 -2.232 -11.647 1.00 0.00 H new ATOM 745 N PHE A 56 -13.105 -5.133 -11.915 1.00 0.00 N ATOM 746 CA PHE A 56 -13.167 -6.321 -12.747 1.00 0.00 C ATOM 747 C PHE A 56 -13.463 -5.957 -14.203 1.00 0.00 C ATOM 748 O PHE A 56 -13.828 -4.820 -14.500 1.00 0.00 O ATOM 749 CB PHE A 56 -14.307 -7.186 -12.208 1.00 0.00 C ATOM 750 CG PHE A 56 -15.675 -6.500 -12.235 1.00 0.00 C ATOM 751 CD1 PHE A 56 -16.390 -6.452 -13.391 1.00 0.00 C ATOM 752 CD2 PHE A 56 -16.175 -5.935 -11.103 1.00 0.00 C ATOM 753 CE1 PHE A 56 -17.658 -5.816 -13.415 1.00 0.00 C ATOM 754 CE2 PHE A 56 -17.444 -5.298 -11.127 1.00 0.00 C ATOM 755 CZ PHE A 56 -18.158 -5.252 -12.284 1.00 0.00 C ATOM 0 H PHE A 56 -14.012 -4.756 -11.641 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.211 -6.844 -12.719 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -14.361 -8.104 -12.793 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.077 -7.475 -11.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -15.993 -6.898 -14.291 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -15.606 -5.971 -10.185 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -18.226 -5.780 -14.333 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -17.842 -4.851 -10.228 1.00 0.00 H new ATOM 0 HZ PHE A 56 -19.123 -4.767 -12.304 1.00 0.00 H new ATOM 764 N MET A 57 -13.296 -6.943 -15.072 1.00 0.00 N ATOM 765 CA MET A 57 -13.541 -6.740 -16.491 1.00 0.00 C ATOM 766 C MET A 57 -15.032 -6.532 -16.764 1.00 0.00 C ATOM 767 O MET A 57 -15.833 -7.450 -16.591 1.00 0.00 O ATOM 768 CB MET A 57 -13.042 -7.956 -17.274 1.00 0.00 C ATOM 769 CG MET A 57 -11.597 -7.757 -17.733 1.00 0.00 C ATOM 770 SD MET A 57 -11.458 -8.098 -19.479 1.00 0.00 S ATOM 771 CE MET A 57 -9.756 -7.634 -19.751 1.00 0.00 C ATOM 0 H MET A 57 -12.994 -7.885 -14.822 1.00 0.00 H new ATOM 0 HA MET A 57 -13.004 -5.847 -16.810 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.110 -8.847 -16.650 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.683 -8.123 -18.140 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.279 -6.735 -17.527 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.935 -8.416 -17.172 1.00 0.00 H new ATOM 0 HE1 MET A 57 -9.501 -7.786 -20.800 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.619 -6.584 -19.493 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.107 -8.248 -19.127 1.00 0.00 H new ATOM 779 N PRO A 58 -15.369 -5.289 -17.199 1.00 0.00 N ATOM 780 CA PRO A 58 -16.749 -4.949 -17.499 1.00 0.00 C ATOM 781 C PRO A 58 -17.191 -5.569 -18.826 1.00 0.00 C ATOM 782 O PRO A 58 -16.815 -5.091 -19.894 1.00 0.00 O ATOM 783 CB PRO A 58 -16.786 -3.430 -17.512 1.00 0.00 C ATOM 784 CG PRO A 58 -15.344 -2.979 -17.681 1.00 0.00 C ATOM 785 CD PRO A 58 -14.448 -4.177 -17.415 1.00 0.00 C ATOM 0 HA PRO A 58 -17.449 -5.345 -16.763 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.408 -3.062 -18.327 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.211 -3.042 -16.586 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -15.179 -2.595 -18.688 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -15.114 -2.169 -16.989 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -13.785 -4.370 -18.258 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -13.815 -4.012 -16.543 1.00 0.00 H new ATOM 790 N GLU A 59 -17.982 -6.626 -18.714 1.00 0.00 N ATOM 791 CA GLU A 59 -18.479 -7.317 -19.892 1.00 0.00 C ATOM 792 C GLU A 59 -17.317 -7.922 -20.682 1.00 0.00 C ATOM 793 O GLU A 59 -16.158 -7.592 -20.437 1.00 0.00 O ATOM 794 CB GLU A 59 -19.309 -6.378 -20.769 1.00 0.00 C ATOM 795 CG GLU A 59 -20.329 -7.161 -21.599 1.00 0.00 C ATOM 796 CD GLU A 59 -21.668 -6.425 -21.658 1.00 0.00 C ATOM 797 OE1 GLU A 59 -22.463 -6.613 -20.711 1.00 0.00 O ATOM 798 OE2 GLU A 59 -21.869 -5.690 -22.650 1.00 0.00 O ATOM 0 H GLU A 59 -18.291 -7.021 -17.826 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.131 -8.127 -19.566 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.826 -5.651 -20.142 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -18.650 -5.816 -21.431 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.946 -7.308 -22.609 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -20.473 -8.151 -21.166 1.00 0.00 H new ATOM 803 N ASP A 60 -17.668 -8.795 -21.614 1.00 0.00 N ATOM 804 CA ASP A 60 -16.669 -9.449 -22.442 1.00 0.00 C ATOM 805 C ASP A 60 -15.761 -10.306 -21.557 1.00 0.00 C ATOM 806 O ASP A 60 -15.158 -9.803 -20.610 1.00 0.00 O ATOM 807 CB ASP A 60 -15.793 -8.421 -23.162 1.00 0.00 C ATOM 808 CG ASP A 60 -14.329 -8.830 -23.340 1.00 0.00 C ATOM 809 OD1 ASP A 60 -14.111 -9.971 -23.800 1.00 0.00 O ATOM 810 OD2 ASP A 60 -13.462 -7.992 -23.012 1.00 0.00 O ATOM 0 H ASP A 60 -18.631 -9.065 -21.814 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.189 -10.060 -23.179 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.222 -8.225 -24.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.828 -7.484 -22.607 1.00 0.00 H new ATOM 814 N ILE A 61 -15.693 -11.584 -21.898 1.00 0.00 N ATOM 815 CA ILE A 61 -14.869 -12.516 -21.146 1.00 0.00 C ATOM 816 C ILE A 61 -13.453 -11.950 -21.020 1.00 0.00 C ATOM 817 O ILE A 61 -13.154 -11.221 -20.075 1.00 0.00 O ATOM 818 CB ILE A 61 -14.920 -13.908 -21.779 1.00 0.00 C ATOM 819 CG1 ILE A 61 -16.336 -14.485 -21.720 1.00 0.00 C ATOM 820 CG2 ILE A 61 -13.893 -14.841 -21.136 1.00 0.00 C ATOM 821 CD1 ILE A 61 -16.509 -15.618 -22.733 1.00 0.00 C ATOM 0 H ILE A 61 -16.195 -11.996 -22.685 1.00 0.00 H new ATOM 0 HA ILE A 61 -15.257 -12.637 -20.134 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.654 -13.815 -22.832 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -16.540 -14.856 -20.716 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.062 -13.698 -21.922 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -13.951 -15.824 -21.604 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.892 -14.431 -21.274 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -14.103 -14.934 -20.070 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -17.524 -16.010 -22.670 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -16.328 -15.238 -23.738 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.798 -16.414 -22.513 1.00 0.00 H new TER 832 ILE A 61