USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 447 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 30 TYR OH : rot 165:sc= -5.09! USER MOD Set 1.2: A 42 ASN :FLIP amide:sc= -11.7! C(o=-18!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0734 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.237 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -139:sc= 0.198 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.415 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -0.937 (180deg=-1.9) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -159:sc= 0.154 USER MOD Single : A 33 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-5.6!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.14 K(o=1.1,f=-0.11) USER MOD Single : A 40 TYR OH : rot -72:sc= 0.173 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -0.304 (180deg=-1.37) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.792 -6.394 1.020 1.00 0.00 N ATOM 2 CA GLY A 1 22.314 -5.150 1.595 1.00 0.00 C ATOM 3 C GLY A 1 20.814 -5.151 1.814 1.00 0.00 C ATOM 4 O GLY A 1 20.118 -6.074 1.390 1.00 0.00 O ATOM 0 H1 GLY A 1 23.453 -6.851 1.681 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.986 -7.027 0.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.280 -6.197 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.817 -4.976 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.581 -4.323 0.937 1.00 0.00 H new ATOM 8 N SER A 2 20.314 -4.114 2.478 1.00 0.00 N ATOM 9 CA SER A 2 18.887 -4.002 2.758 1.00 0.00 C ATOM 10 C SER A 2 18.071 -4.127 1.475 1.00 0.00 C ATOM 11 O SER A 2 18.254 -3.357 0.532 1.00 0.00 O ATOM 12 CB SER A 2 18.584 -2.667 3.441 1.00 0.00 C ATOM 13 OG SER A 2 19.082 -1.580 2.680 1.00 0.00 O ATOM 0 H SER A 2 20.875 -3.340 2.832 1.00 0.00 H new ATOM 0 HA SER A 2 18.607 -4.816 3.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.508 -2.559 3.574 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.031 -2.654 4.435 1.00 0.00 H new ATOM 0 HG SER A 2 19.047 -1.805 1.727 1.00 0.00 H new ATOM 19 N SER A 3 17.169 -5.104 1.448 1.00 0.00 N ATOM 20 CA SER A 3 16.327 -5.334 0.280 1.00 0.00 C ATOM 21 C SER A 3 14.857 -5.097 0.616 1.00 0.00 C ATOM 22 O SER A 3 14.402 -5.406 1.716 1.00 0.00 O ATOM 23 CB SER A 3 16.519 -6.759 -0.241 1.00 0.00 C ATOM 24 OG SER A 3 17.682 -6.856 -1.045 1.00 0.00 O ATOM 0 H SER A 3 17.003 -5.748 2.221 1.00 0.00 H new ATOM 0 HA SER A 3 16.624 -4.628 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.595 -7.449 0.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.646 -7.058 -0.821 1.00 0.00 H new ATOM 0 HG SER A 3 17.783 -7.777 -1.364 1.00 0.00 H new ATOM 30 N GLY A 4 14.120 -4.544 -0.343 1.00 0.00 N ATOM 31 CA GLY A 4 12.710 -4.274 -0.131 1.00 0.00 C ATOM 32 C GLY A 4 11.912 -4.314 -1.419 1.00 0.00 C ATOM 33 O GLY A 4 12.208 -5.103 -2.316 1.00 0.00 O ATOM 0 H GLY A 4 14.474 -4.278 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.304 -5.006 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.597 -3.294 0.333 1.00 0.00 H new ATOM 37 N SER A 5 10.896 -3.461 -1.511 1.00 0.00 N ATOM 38 CA SER A 5 10.050 -3.406 -2.697 1.00 0.00 C ATOM 39 C SER A 5 10.895 -3.377 -3.967 1.00 0.00 C ATOM 40 O SER A 5 12.093 -3.100 -3.922 1.00 0.00 O ATOM 41 CB SER A 5 9.144 -2.174 -2.646 1.00 0.00 C ATOM 42 OG SER A 5 8.253 -2.150 -3.748 1.00 0.00 O ATOM 0 H SER A 5 10.639 -2.799 -0.779 1.00 0.00 H new ATOM 0 HA SER A 5 9.432 -4.303 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.576 -2.174 -1.715 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.753 -1.270 -2.647 1.00 0.00 H new ATOM 0 HG SER A 5 8.176 -1.233 -4.086 1.00 0.00 H new ATOM 48 N SER A 6 10.260 -3.665 -5.099 1.00 0.00 N ATOM 49 CA SER A 6 10.954 -3.677 -6.382 1.00 0.00 C ATOM 50 C SER A 6 11.389 -2.269 -6.777 1.00 0.00 C ATOM 51 O SER A 6 10.606 -1.322 -6.706 1.00 0.00 O ATOM 52 CB SER A 6 10.052 -4.267 -7.468 1.00 0.00 C ATOM 53 OG SER A 6 10.816 -4.754 -8.557 1.00 0.00 O ATOM 0 H SER A 6 9.267 -3.893 -5.154 1.00 0.00 H new ATOM 0 HA SER A 6 11.843 -4.299 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.454 -5.076 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.356 -3.506 -7.820 1.00 0.00 H new ATOM 0 HG SER A 6 10.216 -5.127 -9.236 1.00 0.00 H new ATOM 59 N GLY A 7 12.645 -2.139 -7.194 1.00 0.00 N ATOM 60 CA GLY A 7 13.164 -0.844 -7.594 1.00 0.00 C ATOM 61 C GLY A 7 12.745 0.265 -6.649 1.00 0.00 C ATOM 62 O GLY A 7 12.516 0.028 -5.463 1.00 0.00 O ATOM 0 H GLY A 7 13.312 -2.907 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.252 -0.889 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.815 -0.611 -8.600 1.00 0.00 H new ATOM 66 N LEU A 8 12.646 1.481 -7.175 1.00 0.00 N ATOM 67 CA LEU A 8 12.253 2.633 -6.370 1.00 0.00 C ATOM 68 C LEU A 8 10.793 2.998 -6.618 1.00 0.00 C ATOM 69 O LEU A 8 10.271 2.803 -7.716 1.00 0.00 O ATOM 70 CB LEU A 8 13.150 3.831 -6.687 1.00 0.00 C ATOM 71 CG LEU A 8 12.960 4.467 -8.064 1.00 0.00 C ATOM 72 CD1 LEU A 8 13.284 5.952 -8.016 1.00 0.00 C ATOM 73 CD2 LEU A 8 13.824 3.764 -9.101 1.00 0.00 C ATOM 0 H LEU A 8 12.832 1.695 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 8 12.369 2.367 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.981 4.596 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.189 3.515 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 8 11.915 4.353 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.143 6.387 -9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.622 6.446 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.319 6.089 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.675 4.230 -10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.873 3.845 -8.816 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.543 2.712 -9.156 1.00 0.00 H new ATOM 85 N ASP A 9 10.139 3.530 -5.591 1.00 0.00 N ATOM 86 CA ASP A 9 8.740 3.925 -5.697 1.00 0.00 C ATOM 87 C ASP A 9 8.579 5.424 -5.460 1.00 0.00 C ATOM 88 O ASP A 9 9.542 6.118 -5.135 1.00 0.00 O ATOM 89 CB ASP A 9 7.889 3.144 -4.695 1.00 0.00 C ATOM 90 CG ASP A 9 7.804 1.669 -5.033 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.147 1.327 -6.040 1.00 0.00 O ATOM 92 OD2 ASP A 9 8.395 0.855 -4.293 1.00 0.00 O ATOM 0 H ASP A 9 10.556 3.697 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 9 8.400 3.696 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.310 3.261 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.884 3.566 -4.669 1.00 0.00 H new ATOM 97 N SER A 10 7.356 5.916 -5.627 1.00 0.00 N ATOM 98 CA SER A 10 7.070 7.333 -5.437 1.00 0.00 C ATOM 99 C SER A 10 5.605 7.547 -5.066 1.00 0.00 C ATOM 100 O SER A 10 4.826 6.596 -5.000 1.00 0.00 O ATOM 101 CB SER A 10 7.406 8.118 -6.706 1.00 0.00 C ATOM 102 OG SER A 10 7.492 9.507 -6.439 1.00 0.00 O ATOM 0 H SER A 10 6.547 5.354 -5.893 1.00 0.00 H new ATOM 0 HA SER A 10 7.691 7.697 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.352 7.764 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.642 7.937 -7.462 1.00 0.00 H new ATOM 0 HG SER A 10 7.709 9.986 -7.266 1.00 0.00 H new ATOM 108 N GLU A 11 5.239 8.802 -4.826 1.00 0.00 N ATOM 109 CA GLU A 11 3.868 9.141 -4.462 1.00 0.00 C ATOM 110 C GLU A 11 2.872 8.281 -5.234 1.00 0.00 C ATOM 111 O GLU A 11 1.950 7.706 -4.654 1.00 0.00 O ATOM 112 CB GLU A 11 3.597 10.622 -4.730 1.00 0.00 C ATOM 113 CG GLU A 11 4.059 11.087 -6.101 1.00 0.00 C ATOM 114 CD GLU A 11 4.189 12.595 -6.192 1.00 0.00 C ATOM 115 OE1 GLU A 11 3.159 13.289 -6.069 1.00 0.00 O ATOM 116 OE2 GLU A 11 5.323 13.081 -6.387 1.00 0.00 O ATOM 0 H GLU A 11 5.872 9.600 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 11 3.742 8.944 -3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.528 10.810 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.096 11.218 -3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.021 10.629 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.352 10.741 -6.855 1.00 0.00 H new ATOM 123 N LEU A 12 3.062 8.200 -6.546 1.00 0.00 N ATOM 124 CA LEU A 12 2.181 7.412 -7.400 1.00 0.00 C ATOM 125 C LEU A 12 0.755 7.952 -7.358 1.00 0.00 C ATOM 126 O LEU A 12 -0.208 7.187 -7.325 1.00 0.00 O ATOM 127 CB LEU A 12 2.195 5.945 -6.966 1.00 0.00 C ATOM 128 CG LEU A 12 3.519 5.203 -7.151 1.00 0.00 C ATOM 129 CD1 LEU A 12 3.672 4.113 -6.102 1.00 0.00 C ATOM 130 CD2 LEU A 12 3.610 4.615 -8.552 1.00 0.00 C ATOM 0 H LEU A 12 3.819 8.671 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 12 2.548 7.486 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.918 5.896 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.423 5.415 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 12 4.333 5.916 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.620 3.596 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.653 4.560 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.852 3.401 -6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.559 4.091 -8.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.788 3.916 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.548 5.417 -9.288 1.00 0.00 H new ATOM 142 N GLU A 13 0.629 9.276 -7.360 1.00 0.00 N ATOM 143 CA GLU A 13 -0.679 9.918 -7.323 1.00 0.00 C ATOM 144 C GLU A 13 -1.407 9.595 -6.021 1.00 0.00 C ATOM 145 O GLU A 13 -2.534 9.097 -6.034 1.00 0.00 O ATOM 146 CB GLU A 13 -1.525 9.472 -8.517 1.00 0.00 C ATOM 147 CG GLU A 13 -1.362 10.356 -9.742 1.00 0.00 C ATOM 148 CD GLU A 13 -2.473 10.160 -10.755 1.00 0.00 C ATOM 149 OE1 GLU A 13 -2.696 9.005 -11.176 1.00 0.00 O ATOM 150 OE2 GLU A 13 -3.120 11.161 -11.128 1.00 0.00 O ATOM 0 H GLU A 13 1.417 9.924 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.528 10.996 -7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.257 8.449 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.575 9.461 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.339 11.400 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.403 10.143 -10.214 1.00 0.00 H new ATOM 157 N LEU A 14 -0.756 9.880 -4.899 1.00 0.00 N ATOM 158 CA LEU A 14 -1.340 9.620 -3.588 1.00 0.00 C ATOM 159 C LEU A 14 -2.739 10.219 -3.486 1.00 0.00 C ATOM 160 O LEU A 14 -3.070 11.202 -4.151 1.00 0.00 O ATOM 161 CB LEU A 14 -0.446 10.193 -2.487 1.00 0.00 C ATOM 162 CG LEU A 14 0.992 9.673 -2.451 1.00 0.00 C ATOM 163 CD1 LEU A 14 1.932 10.739 -1.911 1.00 0.00 C ATOM 164 CD2 LEU A 14 1.080 8.406 -1.611 1.00 0.00 C ATOM 0 H LEU A 14 0.177 10.291 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.417 8.540 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.416 11.277 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.911 9.984 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 14 1.297 9.432 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.950 10.351 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.891 11.619 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.630 11.012 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.110 8.050 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.756 8.621 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.437 7.639 -2.042 1.00 0.00 H new ATOM 176 N PRO A 15 -3.580 9.617 -2.632 1.00 0.00 N ATOM 177 CA PRO A 15 -4.956 10.076 -2.421 1.00 0.00 C ATOM 178 C PRO A 15 -5.015 11.413 -1.689 1.00 0.00 C ATOM 179 O PRO A 15 -5.002 12.474 -2.313 1.00 0.00 O ATOM 180 CB PRO A 15 -5.572 8.969 -1.562 1.00 0.00 C ATOM 181 CG PRO A 15 -4.414 8.349 -0.857 1.00 0.00 C ATOM 182 CD PRO A 15 -3.253 8.442 -1.808 1.00 0.00 C ATOM 0 HA PRO A 15 -5.478 10.244 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.296 9.373 -0.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.099 8.239 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.198 8.872 0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.625 7.311 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.309 8.573 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.156 7.541 -2.414 1.00 0.00 H new ATOM 190 N ALA A 16 -5.081 11.354 -0.363 1.00 0.00 N ATOM 191 CA ALA A 16 -5.139 12.560 0.453 1.00 0.00 C ATOM 192 C ALA A 16 -4.422 12.358 1.783 1.00 0.00 C ATOM 193 O ALA A 16 -4.590 11.332 2.441 1.00 0.00 O ATOM 194 CB ALA A 16 -6.586 12.969 0.687 1.00 0.00 C ATOM 0 H ALA A 16 -5.096 10.484 0.169 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.630 13.359 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.615 13.871 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.068 13.164 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.113 12.165 1.202 1.00 0.00 H new ATOM 200 N GLY A 17 -3.621 13.345 2.174 1.00 0.00 N ATOM 201 CA GLY A 17 -2.889 13.255 3.425 1.00 0.00 C ATOM 202 C GLY A 17 -1.601 12.468 3.287 1.00 0.00 C ATOM 203 O GLY A 17 -1.173 11.797 4.226 1.00 0.00 O ATOM 0 H GLY A 17 -3.466 14.205 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.661 14.259 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.520 12.784 4.179 1.00 0.00 H new ATOM 207 N TRP A 18 -0.983 12.548 2.115 1.00 0.00 N ATOM 208 CA TRP A 18 0.264 11.836 1.857 1.00 0.00 C ATOM 209 C TRP A 18 1.364 12.801 1.429 1.00 0.00 C ATOM 210 O TRP A 18 1.137 13.688 0.608 1.00 0.00 O ATOM 211 CB TRP A 18 0.054 10.772 0.779 1.00 0.00 C ATOM 212 CG TRP A 18 -0.808 9.632 1.229 1.00 0.00 C ATOM 213 CD1 TRP A 18 -2.150 9.486 1.020 1.00 0.00 C ATOM 214 CD2 TRP A 18 -0.388 8.479 1.968 1.00 0.00 C ATOM 215 NE1 TRP A 18 -2.589 8.312 1.583 1.00 0.00 N ATOM 216 CE2 TRP A 18 -1.527 7.676 2.170 1.00 0.00 C ATOM 217 CE3 TRP A 18 0.840 8.046 2.476 1.00 0.00 C ATOM 218 CZ2 TRP A 18 -1.473 6.467 2.859 1.00 0.00 C ATOM 219 CZ3 TRP A 18 0.892 6.847 3.160 1.00 0.00 C ATOM 220 CH2 TRP A 18 -0.258 6.068 3.346 1.00 0.00 C ATOM 0 H TRP A 18 -1.325 13.099 1.327 1.00 0.00 H new ATOM 0 HA TRP A 18 0.573 11.350 2.782 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.399 11.237 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.024 10.384 0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.774 10.190 0.490 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.550 7.970 1.567 1.00 0.00 H new ATOM 0 HE3 TRP A 18 1.732 8.638 2.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.358 5.866 3.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.835 6.504 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.184 5.135 3.884 1.00 0.00 H new ATOM 231 N GLU A 19 2.555 12.621 1.992 1.00 0.00 N ATOM 232 CA GLU A 19 3.689 13.478 1.667 1.00 0.00 C ATOM 233 C GLU A 19 4.948 12.648 1.432 1.00 0.00 C ATOM 234 O GLU A 19 5.417 11.943 2.326 1.00 0.00 O ATOM 235 CB GLU A 19 3.933 14.487 2.791 1.00 0.00 C ATOM 236 CG GLU A 19 4.526 15.801 2.312 1.00 0.00 C ATOM 237 CD GLU A 19 4.472 16.886 3.370 1.00 0.00 C ATOM 238 OE1 GLU A 19 5.327 16.870 4.280 1.00 0.00 O ATOM 239 OE2 GLU A 19 3.575 17.750 3.288 1.00 0.00 O ATOM 0 H GLU A 19 2.759 11.891 2.674 1.00 0.00 H new ATOM 0 HA GLU A 19 3.453 14.017 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.990 14.688 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.603 14.043 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.562 15.640 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.988 16.136 1.425 1.00 0.00 H new ATOM 246 N LYS A 20 5.490 12.737 0.222 1.00 0.00 N ATOM 247 CA LYS A 20 6.695 11.996 -0.133 1.00 0.00 C ATOM 248 C LYS A 20 7.943 12.714 0.371 1.00 0.00 C ATOM 249 O LYS A 20 8.319 13.764 -0.151 1.00 0.00 O ATOM 250 CB LYS A 20 6.776 11.811 -1.650 1.00 0.00 C ATOM 251 CG LYS A 20 8.065 11.155 -2.114 1.00 0.00 C ATOM 252 CD LYS A 20 8.043 10.877 -3.608 1.00 0.00 C ATOM 253 CE LYS A 20 9.431 10.549 -4.135 1.00 0.00 C ATOM 254 NZ LYS A 20 10.241 11.776 -4.367 1.00 0.00 N ATOM 0 H LYS A 20 5.114 13.315 -0.530 1.00 0.00 H new ATOM 0 HA LYS A 20 6.644 11.017 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.931 11.206 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.679 12.784 -2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.910 11.802 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.215 10.222 -1.571 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.369 10.046 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.649 11.746 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.946 9.903 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.343 9.991 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.252 11.540 -4.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.028 12.159 -5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.009 12.487 -3.644 1.00 0.00 H new ATOM 268 N ILE A 21 8.581 12.140 1.385 1.00 0.00 N ATOM 269 CA ILE A 21 9.789 12.725 1.956 1.00 0.00 C ATOM 270 C ILE A 21 11.033 11.969 1.502 1.00 0.00 C ATOM 271 O ILE A 21 11.144 10.760 1.704 1.00 0.00 O ATOM 272 CB ILE A 21 9.738 12.730 3.495 1.00 0.00 C ATOM 273 CG1 ILE A 21 8.802 13.834 3.992 1.00 0.00 C ATOM 274 CG2 ILE A 21 11.134 12.913 4.071 1.00 0.00 C ATOM 275 CD1 ILE A 21 7.337 13.471 3.900 1.00 0.00 C ATOM 0 H ILE A 21 8.282 11.271 1.828 1.00 0.00 H new ATOM 0 HA ILE A 21 9.841 13.754 1.599 1.00 0.00 H new ATOM 0 HB ILE A 21 9.350 11.770 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.046 14.066 5.029 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.981 14.739 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.081 12.914 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 21 11.774 12.095 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 21 11.548 13.861 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.733 14.300 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.077 13.267 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.143 12.584 4.503 1.00 0.00 H new ATOM 287 N GLU A 22 11.966 12.690 0.890 1.00 0.00 N ATOM 288 CA GLU A 22 13.204 12.087 0.408 1.00 0.00 C ATOM 289 C GLU A 22 14.369 12.424 1.334 1.00 0.00 C ATOM 290 O GLU A 22 14.724 13.591 1.503 1.00 0.00 O ATOM 291 CB GLU A 22 13.511 12.565 -1.012 1.00 0.00 C ATOM 292 CG GLU A 22 12.354 12.382 -1.980 1.00 0.00 C ATOM 293 CD GLU A 22 12.360 13.407 -3.097 1.00 0.00 C ATOM 294 OE1 GLU A 22 11.962 14.563 -2.843 1.00 0.00 O ATOM 295 OE2 GLU A 22 12.762 13.053 -4.225 1.00 0.00 O ATOM 0 H GLU A 22 11.889 13.692 0.716 1.00 0.00 H new ATOM 0 HA GLU A 22 13.072 11.005 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.783 13.620 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.378 12.023 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.400 11.381 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.414 12.451 -1.433 1.00 0.00 H new ATOM 302 N ASP A 23 14.960 11.395 1.930 1.00 0.00 N ATOM 303 CA ASP A 23 16.086 11.580 2.838 1.00 0.00 C ATOM 304 C ASP A 23 17.317 10.833 2.337 1.00 0.00 C ATOM 305 O ASP A 23 17.225 9.745 1.769 1.00 0.00 O ATOM 306 CB ASP A 23 15.720 11.100 4.244 1.00 0.00 C ATOM 307 CG ASP A 23 15.131 12.206 5.098 1.00 0.00 C ATOM 308 OD1 ASP A 23 15.730 13.300 5.149 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.070 11.977 5.715 1.00 0.00 O ATOM 0 H ASP A 23 14.678 10.423 1.801 1.00 0.00 H new ATOM 0 HA ASP A 23 16.319 12.644 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.004 10.281 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.610 10.703 4.732 1.00 0.00 H new ATOM 314 N PRO A 24 18.500 11.430 2.549 1.00 0.00 N ATOM 315 CA PRO A 24 19.772 10.839 2.126 1.00 0.00 C ATOM 316 C PRO A 24 20.138 9.604 2.943 1.00 0.00 C ATOM 317 O PRO A 24 20.721 8.653 2.422 1.00 0.00 O ATOM 318 CB PRO A 24 20.784 11.961 2.371 1.00 0.00 C ATOM 319 CG PRO A 24 20.170 12.797 3.441 1.00 0.00 C ATOM 320 CD PRO A 24 18.685 12.728 3.220 1.00 0.00 C ATOM 0 HA PRO A 24 19.738 10.496 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 21.749 11.563 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.958 12.542 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.435 12.422 4.430 1.00 0.00 H new ATOM 0 HG3 PRO A 24 20.525 13.826 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.136 12.776 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 24 18.332 13.554 2.602 1.00 0.00 H new ATOM 328 N VAL A 25 19.792 9.626 4.226 1.00 0.00 N ATOM 329 CA VAL A 25 20.083 8.507 5.115 1.00 0.00 C ATOM 330 C VAL A 25 18.857 7.622 5.303 1.00 0.00 C ATOM 331 O VAL A 25 18.947 6.396 5.240 1.00 0.00 O ATOM 332 CB VAL A 25 20.567 8.996 6.493 1.00 0.00 C ATOM 333 CG1 VAL A 25 20.959 7.818 7.371 1.00 0.00 C ATOM 334 CG2 VAL A 25 21.728 9.966 6.337 1.00 0.00 C ATOM 0 H VAL A 25 19.310 10.406 4.673 1.00 0.00 H new ATOM 0 HA VAL A 25 20.877 7.927 4.645 1.00 0.00 H new ATOM 0 HB VAL A 25 19.747 9.523 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 25 21.298 8.184 8.340 1.00 0.00 H new ATOM 0 HG12 VAL A 25 20.097 7.166 7.511 1.00 0.00 H new ATOM 0 HG13 VAL A 25 21.763 7.259 6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 22.057 10.301 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 25 22.553 9.467 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.407 10.826 5.749 1.00 0.00 H new ATOM 344 N TYR A 26 17.710 8.251 5.535 1.00 0.00 N ATOM 345 CA TYR A 26 16.464 7.520 5.735 1.00 0.00 C ATOM 346 C TYR A 26 15.895 7.040 4.403 1.00 0.00 C ATOM 347 O TYR A 26 15.264 5.986 4.329 1.00 0.00 O ATOM 348 CB TYR A 26 15.440 8.403 6.451 1.00 0.00 C ATOM 349 CG TYR A 26 15.900 8.885 7.808 1.00 0.00 C ATOM 350 CD1 TYR A 26 16.832 9.909 7.924 1.00 0.00 C ATOM 351 CD2 TYR A 26 15.402 8.317 8.974 1.00 0.00 C ATOM 352 CE1 TYR A 26 17.256 10.352 9.162 1.00 0.00 C ATOM 353 CE2 TYR A 26 15.819 8.755 10.217 1.00 0.00 C ATOM 354 CZ TYR A 26 16.747 9.772 10.305 1.00 0.00 C ATOM 355 OH TYR A 26 17.165 10.212 11.540 1.00 0.00 O ATOM 0 H TYR A 26 17.617 9.265 5.589 1.00 0.00 H new ATOM 0 HA TYR A 26 16.678 6.648 6.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 15.216 9.267 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.511 7.845 6.569 1.00 0.00 H new ATOM 0 HD1 TYR A 26 17.232 10.366 7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 26 14.677 7.520 8.908 1.00 0.00 H new ATOM 0 HE1 TYR A 26 17.982 11.148 9.234 1.00 0.00 H new ATOM 0 HE2 TYR A 26 15.421 8.304 11.114 1.00 0.00 H new ATOM 0 HH TYR A 26 16.710 9.700 12.241 1.00 0.00 H new ATOM 365 N GLY A 27 16.123 7.821 3.352 1.00 0.00 N ATOM 366 CA GLY A 27 15.628 7.460 2.037 1.00 0.00 C ATOM 367 C GLY A 27 14.278 8.080 1.736 1.00 0.00 C ATOM 368 O GLY A 27 13.829 8.981 2.445 1.00 0.00 O ATOM 0 H GLY A 27 16.642 8.698 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.347 7.778 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.550 6.375 1.967 1.00 0.00 H new ATOM 372 N ILE A 28 13.630 7.599 0.680 1.00 0.00 N ATOM 373 CA ILE A 28 12.324 8.113 0.286 1.00 0.00 C ATOM 374 C ILE A 28 11.202 7.359 0.992 1.00 0.00 C ATOM 375 O ILE A 28 11.029 6.156 0.796 1.00 0.00 O ATOM 376 CB ILE A 28 12.116 8.013 -1.237 1.00 0.00 C ATOM 377 CG1 ILE A 28 13.208 8.791 -1.974 1.00 0.00 C ATOM 378 CG2 ILE A 28 10.738 8.534 -1.618 1.00 0.00 C ATOM 379 CD1 ILE A 28 12.970 8.901 -3.464 1.00 0.00 C ATOM 0 H ILE A 28 13.988 6.854 0.082 1.00 0.00 H new ATOM 0 HA ILE A 28 12.295 9.162 0.580 1.00 0.00 H new ATOM 0 HB ILE A 28 12.181 6.965 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.278 9.793 -1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 28 14.168 8.305 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.606 8.457 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.973 7.942 -1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.647 9.577 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.783 9.465 -3.922 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.930 7.903 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 28 12.026 9.415 -3.645 1.00 0.00 H new ATOM 391 N TYR A 29 10.441 8.075 1.812 1.00 0.00 N ATOM 392 CA TYR A 29 9.334 7.474 2.547 1.00 0.00 C ATOM 393 C TYR A 29 8.140 8.422 2.605 1.00 0.00 C ATOM 394 O TYR A 29 8.303 9.642 2.650 1.00 0.00 O ATOM 395 CB TYR A 29 9.777 7.106 3.964 1.00 0.00 C ATOM 396 CG TYR A 29 10.227 8.293 4.786 1.00 0.00 C ATOM 397 CD1 TYR A 29 9.310 9.066 5.487 1.00 0.00 C ATOM 398 CD2 TYR A 29 11.570 8.640 4.861 1.00 0.00 C ATOM 399 CE1 TYR A 29 9.717 10.151 6.238 1.00 0.00 C ATOM 400 CE2 TYR A 29 11.987 9.723 5.611 1.00 0.00 C ATOM 401 CZ TYR A 29 11.056 10.476 6.297 1.00 0.00 C ATOM 402 OH TYR A 29 11.466 11.556 7.045 1.00 0.00 O ATOM 0 H TYR A 29 10.570 9.072 1.985 1.00 0.00 H new ATOM 0 HA TYR A 29 9.030 6.569 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.952 6.612 4.477 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.593 6.386 3.905 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.261 8.814 5.444 1.00 0.00 H new ATOM 0 HD2 TYR A 29 12.301 8.053 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.991 10.742 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 29 13.035 9.979 5.660 1.00 0.00 H new ATOM 0 HH TYR A 29 12.349 11.850 6.738 1.00 0.00 H new ATOM 412 N TYR A 30 6.940 7.852 2.605 1.00 0.00 N ATOM 413 CA TYR A 30 5.718 8.645 2.656 1.00 0.00 C ATOM 414 C TYR A 30 5.228 8.799 4.093 1.00 0.00 C ATOM 415 O TYR A 30 5.072 7.816 4.817 1.00 0.00 O ATOM 416 CB TYR A 30 4.628 7.996 1.801 1.00 0.00 C ATOM 417 CG TYR A 30 5.131 7.469 0.476 1.00 0.00 C ATOM 418 CD1 TYR A 30 5.544 8.337 -0.528 1.00 0.00 C ATOM 419 CD2 TYR A 30 5.196 6.104 0.228 1.00 0.00 C ATOM 420 CE1 TYR A 30 6.003 7.861 -1.740 1.00 0.00 C ATOM 421 CE2 TYR A 30 5.655 5.618 -0.981 1.00 0.00 C ATOM 422 CZ TYR A 30 6.058 6.500 -1.962 1.00 0.00 C ATOM 423 OH TYR A 30 6.516 6.022 -3.168 1.00 0.00 O ATOM 0 H TYR A 30 6.788 6.844 2.570 1.00 0.00 H new ATOM 0 HA TYR A 30 5.941 9.635 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.178 7.176 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.840 8.726 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.505 9.403 -0.357 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.882 5.410 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.317 8.550 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.698 4.553 -1.157 1.00 0.00 H new ATOM 0 HH TYR A 30 6.718 5.067 -3.086 1.00 0.00 H new ATOM 433 N VAL A 31 4.986 10.042 4.498 1.00 0.00 N ATOM 434 CA VAL A 31 4.513 10.327 5.847 1.00 0.00 C ATOM 435 C VAL A 31 3.015 10.611 5.855 1.00 0.00 C ATOM 436 O VAL A 31 2.504 11.328 4.995 1.00 0.00 O ATOM 437 CB VAL A 31 5.255 11.530 6.460 1.00 0.00 C ATOM 438 CG1 VAL A 31 4.623 12.836 6.004 1.00 0.00 C ATOM 439 CG2 VAL A 31 5.263 11.433 7.978 1.00 0.00 C ATOM 0 H VAL A 31 5.110 10.867 3.911 1.00 0.00 H new ATOM 0 HA VAL A 31 4.716 9.440 6.447 1.00 0.00 H new ATOM 0 HB VAL A 31 6.288 11.514 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.160 13.674 6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.675 12.905 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.580 12.866 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.791 12.291 8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.238 11.424 8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.766 10.515 8.281 1.00 0.00 H new ATOM 449 N ASP A 32 2.316 10.043 6.832 1.00 0.00 N ATOM 450 CA ASP A 32 0.876 10.236 6.953 1.00 0.00 C ATOM 451 C ASP A 32 0.559 11.361 7.933 1.00 0.00 C ATOM 452 O ASP A 32 0.982 11.329 9.089 1.00 0.00 O ATOM 453 CB ASP A 32 0.203 8.940 7.410 1.00 0.00 C ATOM 454 CG ASP A 32 0.698 7.729 6.644 1.00 0.00 C ATOM 455 OD1 ASP A 32 1.902 7.415 6.745 1.00 0.00 O ATOM 456 OD2 ASP A 32 -0.119 7.097 5.942 1.00 0.00 O ATOM 0 H ASP A 32 2.723 9.445 7.551 1.00 0.00 H new ATOM 0 HA ASP A 32 0.488 10.512 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.388 8.794 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.876 9.030 7.284 1.00 0.00 H new ATOM 461 N HIS A 33 -0.188 12.356 7.463 1.00 0.00 N ATOM 462 CA HIS A 33 -0.561 13.492 8.298 1.00 0.00 C ATOM 463 C HIS A 33 -1.926 13.267 8.943 1.00 0.00 C ATOM 464 O HIS A 33 -2.558 14.208 9.423 1.00 0.00 O ATOM 465 CB HIS A 33 -0.581 14.776 7.469 1.00 0.00 C ATOM 466 CG HIS A 33 0.737 15.103 6.838 1.00 0.00 C ATOM 467 ND1 HIS A 33 1.133 16.391 6.545 1.00 0.00 N ATOM 468 CD2 HIS A 33 1.754 14.300 6.446 1.00 0.00 C ATOM 469 CE1 HIS A 33 2.335 16.366 5.998 1.00 0.00 C ATOM 470 NE2 HIS A 33 2.735 15.109 5.927 1.00 0.00 N ATOM 0 H HIS A 33 -0.546 12.398 6.509 1.00 0.00 H new ATOM 0 HA HIS A 33 0.183 13.591 9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.335 14.682 6.688 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.885 15.606 8.107 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.584 17.232 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.788 13.224 6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.896 17.227 5.665 1.00 0.00 H new ATOM 478 N ILE A 34 -2.373 12.016 8.950 1.00 0.00 N ATOM 479 CA ILE A 34 -3.661 11.669 9.535 1.00 0.00 C ATOM 480 C ILE A 34 -3.498 10.650 10.658 1.00 0.00 C ATOM 481 O ILE A 34 -4.034 10.825 11.752 1.00 0.00 O ATOM 482 CB ILE A 34 -4.626 11.100 8.478 1.00 0.00 C ATOM 483 CG1 ILE A 34 -4.639 11.993 7.235 1.00 0.00 C ATOM 484 CG2 ILE A 34 -6.027 10.966 9.056 1.00 0.00 C ATOM 485 CD1 ILE A 34 -3.428 11.810 6.347 1.00 0.00 C ATOM 0 H ILE A 34 -1.862 11.226 8.557 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.081 12.590 9.940 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.279 10.109 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.539 11.784 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.696 13.036 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.697 10.563 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.004 10.294 9.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.385 11.946 9.372 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.505 12.474 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.525 12.048 6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.381 10.776 6.005 1.00 0.00 H new ATOM 497 N ASN A 35 -2.753 9.585 10.380 1.00 0.00 N ATOM 498 CA ASN A 35 -2.517 8.538 11.368 1.00 0.00 C ATOM 499 C ASN A 35 -1.188 8.755 12.084 1.00 0.00 C ATOM 500 O ASN A 35 -0.803 7.970 12.951 1.00 0.00 O ATOM 501 CB ASN A 35 -2.529 7.163 10.697 1.00 0.00 C ATOM 502 CG ASN A 35 -3.913 6.544 10.672 1.00 0.00 C ATOM 503 OD1 ASN A 35 -4.210 5.629 11.441 1.00 0.00 O ATOM 504 ND2 ASN A 35 -4.769 7.041 9.786 1.00 0.00 N ATOM 0 H ASN A 35 -2.302 9.424 9.479 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.318 8.582 12.106 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.157 7.256 9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.846 6.498 11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.715 6.664 9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.480 7.799 9.168 1.00 0.00 H new ATOM 511 N ARG A 36 -0.492 9.825 11.716 1.00 0.00 N ATOM 512 CA ARG A 36 0.795 10.145 12.323 1.00 0.00 C ATOM 513 C ARG A 36 1.732 8.942 12.277 1.00 0.00 C ATOM 514 O ARG A 36 2.286 8.534 13.298 1.00 0.00 O ATOM 515 CB ARG A 36 0.601 10.599 13.771 1.00 0.00 C ATOM 516 CG ARG A 36 -0.528 11.602 13.949 1.00 0.00 C ATOM 517 CD ARG A 36 -0.163 12.960 13.372 1.00 0.00 C ATOM 518 NE ARG A 36 0.539 13.797 14.341 1.00 0.00 N ATOM 519 CZ ARG A 36 -0.078 14.553 15.242 1.00 0.00 C ATOM 520 NH1 ARG A 36 -1.403 14.577 15.296 1.00 0.00 N ATOM 521 NH2 ARG A 36 0.630 15.287 16.091 1.00 0.00 N ATOM 0 H ARG A 36 -0.797 10.485 11.001 1.00 0.00 H new ATOM 0 HA ARG A 36 1.246 10.957 11.752 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.402 9.726 14.393 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.529 11.042 14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.428 11.228 13.461 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.760 11.706 15.009 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.464 12.823 12.491 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.069 13.469 13.043 1.00 0.00 H new ATOM 0 HE ARG A 36 1.559 13.801 14.325 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.950 14.014 14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.875 15.158 15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.649 15.271 16.052 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.155 15.867 16.783 1.00 0.00 H new ATOM 535 N LYS A 37 1.905 8.379 11.086 1.00 0.00 N ATOM 536 CA LYS A 37 2.775 7.223 10.905 1.00 0.00 C ATOM 537 C LYS A 37 3.484 7.282 9.556 1.00 0.00 C ATOM 538 O LYS A 37 3.131 8.084 8.691 1.00 0.00 O ATOM 539 CB LYS A 37 1.966 5.928 11.012 1.00 0.00 C ATOM 540 CG LYS A 37 0.988 5.726 9.868 1.00 0.00 C ATOM 541 CD LYS A 37 0.099 4.516 10.101 1.00 0.00 C ATOM 542 CE LYS A 37 -0.836 4.276 8.926 1.00 0.00 C ATOM 543 NZ LYS A 37 -0.167 3.523 7.829 1.00 0.00 N ATOM 0 H LYS A 37 1.454 8.705 10.231 1.00 0.00 H new ATOM 0 HA LYS A 37 3.528 7.240 11.693 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.653 5.082 11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.416 5.930 11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.370 6.617 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.538 5.600 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.719 3.633 10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.486 4.663 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.711 3.722 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.193 5.233 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.838 3.380 7.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.653 4.063 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.151 2.599 8.186 1.00 0.00 H new ATOM 557 N THR A 38 4.487 6.426 9.382 1.00 0.00 N ATOM 558 CA THR A 38 5.246 6.381 8.138 1.00 0.00 C ATOM 559 C THR A 38 5.593 4.947 7.758 1.00 0.00 C ATOM 560 O THR A 38 5.819 4.103 8.625 1.00 0.00 O ATOM 561 CB THR A 38 6.545 7.201 8.243 1.00 0.00 C ATOM 562 OG1 THR A 38 7.240 6.866 9.449 1.00 0.00 O ATOM 563 CG2 THR A 38 6.247 8.693 8.221 1.00 0.00 C ATOM 0 H THR A 38 4.792 5.755 10.087 1.00 0.00 H new ATOM 0 HA THR A 38 4.612 6.816 7.365 1.00 0.00 H new ATOM 0 HB THR A 38 7.171 6.959 7.384 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.066 7.391 9.507 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.180 9.252 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.745 8.950 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.603 8.948 9.062 1.00 0.00 H new ATOM 571 N GLN A 39 5.633 4.678 6.457 1.00 0.00 N ATOM 572 CA GLN A 39 5.953 3.344 5.963 1.00 0.00 C ATOM 573 C GLN A 39 6.650 3.417 4.608 1.00 0.00 C ATOM 574 O GLN A 39 6.740 4.486 4.003 1.00 0.00 O ATOM 575 CB GLN A 39 4.682 2.500 5.850 1.00 0.00 C ATOM 576 CG GLN A 39 3.604 3.136 4.987 1.00 0.00 C ATOM 577 CD GLN A 39 2.343 2.298 4.917 1.00 0.00 C ATOM 578 OE1 GLN A 39 1.765 1.937 5.943 1.00 0.00 O ATOM 579 NE2 GLN A 39 1.908 1.983 3.703 1.00 0.00 N ATOM 0 H GLN A 39 5.448 5.366 5.727 1.00 0.00 H new ATOM 0 HA GLN A 39 6.631 2.874 6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.939 1.525 5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.281 2.327 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.360 4.121 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.992 3.286 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.418 2.303 2.880 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.064 1.421 3.594 1.00 0.00 H new ATOM 588 N TYR A 40 7.141 2.276 4.138 1.00 0.00 N ATOM 589 CA TYR A 40 7.832 2.212 2.856 1.00 0.00 C ATOM 590 C TYR A 40 6.861 1.873 1.730 1.00 0.00 C ATOM 591 O TYR A 40 6.818 2.555 0.706 1.00 0.00 O ATOM 592 CB TYR A 40 8.953 1.172 2.909 1.00 0.00 C ATOM 593 CG TYR A 40 10.280 1.735 3.368 1.00 0.00 C ATOM 594 CD1 TYR A 40 10.345 2.647 4.413 1.00 0.00 C ATOM 595 CD2 TYR A 40 11.467 1.354 2.755 1.00 0.00 C ATOM 596 CE1 TYR A 40 11.554 3.164 4.836 1.00 0.00 C ATOM 597 CE2 TYR A 40 12.681 1.865 3.172 1.00 0.00 C ATOM 598 CZ TYR A 40 12.720 2.769 4.212 1.00 0.00 C ATOM 599 OH TYR A 40 13.927 3.281 4.629 1.00 0.00 O ATOM 0 H TYR A 40 7.073 1.383 4.626 1.00 0.00 H new ATOM 0 HA TYR A 40 8.264 3.192 2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.658 0.366 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.077 0.733 1.919 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.434 2.958 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.440 0.647 1.939 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.587 3.873 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.595 1.558 2.686 1.00 0.00 H new ATOM 0 HH TYR A 40 13.999 4.217 4.349 1.00 0.00 H new ATOM 609 N GLU A 41 6.082 0.813 1.927 1.00 0.00 N ATOM 610 CA GLU A 41 5.111 0.383 0.928 1.00 0.00 C ATOM 611 C GLU A 41 4.140 1.511 0.592 1.00 0.00 C ATOM 612 O GLU A 41 3.400 1.984 1.453 1.00 0.00 O ATOM 613 CB GLU A 41 4.338 -0.838 1.430 1.00 0.00 C ATOM 614 CG GLU A 41 3.265 -1.318 0.466 1.00 0.00 C ATOM 615 CD GLU A 41 2.645 -2.634 0.891 1.00 0.00 C ATOM 616 OE1 GLU A 41 3.405 -3.587 1.165 1.00 0.00 O ATOM 617 OE2 GLU A 41 1.400 -2.713 0.951 1.00 0.00 O ATOM 0 H GLU A 41 6.105 0.237 2.769 1.00 0.00 H new ATOM 0 HA GLU A 41 5.654 0.113 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.040 -1.652 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.874 -0.596 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.485 -0.561 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.698 -1.429 -0.528 1.00 0.00 H new ATOM 624 N ASN A 42 4.151 1.937 -0.667 1.00 0.00 N ATOM 625 CA ASN A 42 3.273 3.011 -1.118 1.00 0.00 C ATOM 626 C ASN A 42 1.808 2.642 -0.903 1.00 0.00 C ATOM 627 O ASN A 42 1.391 1.504 -1.119 1.00 0.00 O ATOM 628 CB ASN A 42 3.522 3.314 -2.597 1.00 0.00 C ATOM 629 CG ASN A 42 3.036 4.695 -2.994 1.00 0.00 C ATOM 630 OD1 ASN A 42 1.806 4.769 -3.489 1.00 0.00 O flip ATOM 631 ND2 ASN A 42 3.758 5.682 -2.857 1.00 0.00 N flip ATOM 0 H ASN A 42 4.758 1.555 -1.393 1.00 0.00 H new ATOM 0 HA ASN A 42 3.496 3.901 -0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.588 3.233 -2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.019 2.565 -3.208 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.697 5.578 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.418 6.604 -3.128 1.00 0.00 H new ATOM 638 N PRO A 43 1.008 3.626 -0.467 1.00 0.00 N ATOM 639 CA PRO A 43 -0.422 3.430 -0.214 1.00 0.00 C ATOM 640 C PRO A 43 -1.215 3.221 -1.499 1.00 0.00 C ATOM 641 O PRO A 43 -2.066 2.335 -1.579 1.00 0.00 O ATOM 642 CB PRO A 43 -0.844 4.734 0.469 1.00 0.00 C ATOM 643 CG PRO A 43 0.141 5.745 -0.006 1.00 0.00 C ATOM 644 CD PRO A 43 1.438 5.007 -0.189 1.00 0.00 C ATOM 0 HA PRO A 43 -0.611 2.539 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.861 5.013 0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.821 4.638 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.186 6.198 -0.942 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.251 6.553 0.718 1.00 0.00 H new ATOM 0 HD2 PRO A 43 2.022 5.419 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.061 5.062 0.704 1.00 0.00 H new ATOM 652 N VAL A 44 -0.931 4.043 -2.505 1.00 0.00 N ATOM 653 CA VAL A 44 -1.617 3.948 -3.788 1.00 0.00 C ATOM 654 C VAL A 44 -1.576 2.523 -4.328 1.00 0.00 C ATOM 655 O VAL A 44 -2.575 2.010 -4.834 1.00 0.00 O ATOM 656 CB VAL A 44 -0.995 4.898 -4.829 1.00 0.00 C ATOM 657 CG1 VAL A 44 -1.672 4.726 -6.180 1.00 0.00 C ATOM 658 CG2 VAL A 44 -1.089 6.340 -4.356 1.00 0.00 C ATOM 0 H VAL A 44 -0.230 4.782 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.653 4.239 -3.616 1.00 0.00 H new ATOM 0 HB VAL A 44 0.059 4.645 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.220 5.405 -6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.548 3.698 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.734 4.951 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.645 6.998 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.136 6.608 -4.212 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.554 6.449 -3.413 1.00 0.00 H new ATOM 668 N LEU A 45 -0.414 1.887 -4.217 1.00 0.00 N ATOM 669 CA LEU A 45 -0.242 0.519 -4.694 1.00 0.00 C ATOM 670 C LEU A 45 -1.102 -0.450 -3.889 1.00 0.00 C ATOM 671 O LEU A 45 -1.778 -1.310 -4.454 1.00 0.00 O ATOM 672 CB LEU A 45 1.229 0.108 -4.605 1.00 0.00 C ATOM 673 CG LEU A 45 2.234 1.073 -5.235 1.00 0.00 C ATOM 674 CD1 LEU A 45 3.652 0.713 -4.819 1.00 0.00 C ATOM 675 CD2 LEU A 45 2.103 1.064 -6.751 1.00 0.00 C ATOM 0 H LEU A 45 0.422 2.297 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.561 0.481 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.487 -0.019 -3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.343 -0.866 -5.081 1.00 0.00 H new ATOM 0 HG LEU A 45 2.016 2.079 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.354 1.410 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.739 0.771 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.881 -0.301 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.826 1.756 -7.183 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.294 0.059 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.095 1.370 -7.031 1.00 0.00 H new ATOM 687 N GLU A 46 -1.073 -0.303 -2.568 1.00 0.00 N ATOM 688 CA GLU A 46 -1.852 -1.165 -1.687 1.00 0.00 C ATOM 689 C GLU A 46 -3.342 -1.056 -1.997 1.00 0.00 C ATOM 690 O GLU A 46 -3.964 -2.015 -2.454 1.00 0.00 O ATOM 691 CB GLU A 46 -1.595 -0.801 -0.223 1.00 0.00 C ATOM 692 CG GLU A 46 -2.497 -1.536 0.754 1.00 0.00 C ATOM 693 CD GLU A 46 -1.918 -2.867 1.193 1.00 0.00 C ATOM 694 OE1 GLU A 46 -1.789 -3.769 0.339 1.00 0.00 O ATOM 695 OE2 GLU A 46 -1.595 -3.006 2.391 1.00 0.00 O ATOM 0 H GLU A 46 -0.519 0.404 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.538 -2.195 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.555 -1.020 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.733 0.273 -0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.664 -0.910 1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.470 -1.702 0.291 1.00 0.00 H new ATOM 702 N ALA A 47 -3.908 0.119 -1.743 1.00 0.00 N ATOM 703 CA ALA A 47 -5.324 0.355 -1.995 1.00 0.00 C ATOM 704 C ALA A 47 -5.723 -0.131 -3.384 1.00 0.00 C ATOM 705 O ALA A 47 -6.701 -0.863 -3.541 1.00 0.00 O ATOM 706 CB ALA A 47 -5.649 1.833 -1.838 1.00 0.00 C ATOM 0 H ALA A 47 -3.408 0.922 -1.363 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.897 -0.212 -1.262 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.710 1.995 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.410 2.152 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.060 2.413 -2.549 1.00 0.00 H new ATOM 712 N LYS A 48 -4.960 0.280 -4.392 1.00 0.00 N ATOM 713 CA LYS A 48 -5.233 -0.114 -5.769 1.00 0.00 C ATOM 714 C LYS A 48 -4.984 -1.605 -5.967 1.00 0.00 C ATOM 715 O LYS A 48 -5.394 -2.184 -6.974 1.00 0.00 O ATOM 716 CB LYS A 48 -4.361 0.693 -6.734 1.00 0.00 C ATOM 717 CG LYS A 48 -3.024 0.039 -7.036 1.00 0.00 C ATOM 718 CD LYS A 48 -2.215 0.855 -8.030 1.00 0.00 C ATOM 719 CE LYS A 48 -2.793 0.755 -9.433 1.00 0.00 C ATOM 720 NZ LYS A 48 -2.202 -0.378 -10.198 1.00 0.00 N ATOM 0 H LYS A 48 -4.147 0.886 -4.281 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.283 0.092 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.905 0.838 -7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.185 1.682 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.457 -0.076 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.190 -0.962 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.197 1.899 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.183 0.505 -8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.874 0.627 -9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.612 1.688 -9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.622 -0.412 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.174 -0.244 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.397 -1.271 -9.702 1.00 0.00 H new ATOM 734 N ARG A 49 -4.312 -2.222 -5.001 1.00 0.00 N ATOM 735 CA ARG A 49 -4.010 -3.647 -5.070 1.00 0.00 C ATOM 736 C ARG A 49 -5.109 -4.469 -4.404 1.00 0.00 C ATOM 737 O ARG A 49 -5.467 -5.548 -4.878 1.00 0.00 O ATOM 738 CB ARG A 49 -2.665 -3.938 -4.402 1.00 0.00 C ATOM 739 CG ARG A 49 -2.360 -5.420 -4.267 1.00 0.00 C ATOM 740 CD ARG A 49 -0.873 -5.667 -4.066 1.00 0.00 C ATOM 741 NE ARG A 49 -0.541 -7.088 -4.123 1.00 0.00 N ATOM 742 CZ ARG A 49 -0.747 -7.932 -3.118 1.00 0.00 C ATOM 743 NH1 ARG A 49 -1.282 -7.500 -1.984 1.00 0.00 N ATOM 744 NH2 ARG A 49 -0.419 -9.211 -3.247 1.00 0.00 N ATOM 0 H ARG A 49 -3.966 -1.758 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.955 -3.930 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.872 -3.464 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.654 -3.482 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.915 -5.832 -3.424 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.700 -5.945 -5.160 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.310 -5.132 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.565 -5.261 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.128 -7.452 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.536 -6.518 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.439 -8.150 -1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.008 -9.547 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.577 -9.858 -2.475 1.00 0.00 H new ATOM 758 N LYS A 50 -5.642 -3.952 -3.302 1.00 0.00 N ATOM 759 CA LYS A 50 -6.701 -4.637 -2.570 1.00 0.00 C ATOM 760 C LYS A 50 -8.075 -4.223 -3.087 1.00 0.00 C ATOM 761 O LYS A 50 -9.094 -4.794 -2.698 1.00 0.00 O ATOM 762 CB LYS A 50 -6.595 -4.331 -1.074 1.00 0.00 C ATOM 763 CG LYS A 50 -6.525 -2.847 -0.760 1.00 0.00 C ATOM 764 CD LYS A 50 -6.806 -2.574 0.708 1.00 0.00 C ATOM 765 CE LYS A 50 -5.862 -3.354 1.611 1.00 0.00 C ATOM 766 NZ LYS A 50 -6.414 -4.691 1.966 1.00 0.00 N ATOM 0 H LYS A 50 -5.358 -3.060 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.581 -5.709 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.455 -4.762 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.707 -4.821 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.537 -2.465 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.246 -2.309 -1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.703 -1.507 0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.837 -2.843 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.901 -3.479 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.676 -2.784 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.376 -4.820 2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.401 -4.755 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.851 -5.433 1.504 1.00 0.00 H new ATOM 780 N LYS A 51 -8.096 -3.228 -3.968 1.00 0.00 N ATOM 781 CA LYS A 51 -9.344 -2.740 -4.542 1.00 0.00 C ATOM 782 C LYS A 51 -9.564 -3.317 -5.936 1.00 0.00 C ATOM 783 O LYS A 51 -10.690 -3.639 -6.313 1.00 0.00 O ATOM 784 CB LYS A 51 -9.336 -1.211 -4.606 1.00 0.00 C ATOM 785 CG LYS A 51 -10.496 -0.629 -5.394 1.00 0.00 C ATOM 786 CD LYS A 51 -10.150 -0.476 -6.866 1.00 0.00 C ATOM 787 CE LYS A 51 -11.384 -0.606 -7.745 1.00 0.00 C ATOM 788 NZ LYS A 51 -12.150 0.670 -7.817 1.00 0.00 N ATOM 0 H LYS A 51 -7.262 -2.744 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.162 -3.066 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.361 -0.813 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.400 -0.879 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.368 -1.275 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.767 0.342 -4.980 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.684 0.495 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.419 -1.233 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.085 -0.907 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.027 -1.394 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.984 0.541 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.457 0.945 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.544 1.417 -8.214 1.00 0.00 H new ATOM 802 N GLN A 52 -8.481 -3.445 -6.696 1.00 0.00 N ATOM 803 CA GLN A 52 -8.558 -3.984 -8.049 1.00 0.00 C ATOM 804 C GLN A 52 -9.275 -5.330 -8.059 1.00 0.00 C ATOM 805 O GLN A 52 -9.908 -5.700 -9.049 1.00 0.00 O ATOM 806 CB GLN A 52 -7.155 -4.135 -8.640 1.00 0.00 C ATOM 807 CG GLN A 52 -6.670 -2.900 -9.381 1.00 0.00 C ATOM 808 CD GLN A 52 -7.210 -2.817 -10.795 1.00 0.00 C ATOM 809 OE1 GLN A 52 -6.612 -3.347 -11.732 1.00 0.00 O ATOM 810 NE2 GLN A 52 -8.347 -2.151 -10.957 1.00 0.00 N ATOM 0 H GLN A 52 -7.541 -3.183 -6.398 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.129 -3.285 -8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.455 -4.365 -7.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.147 -4.985 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.970 -2.009 -8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.580 -2.904 -9.412 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.809 -1.727 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.759 -2.063 -11.886 1.00 0.00 H new ATOM 819 N LEU A 53 -9.171 -6.058 -6.953 1.00 0.00 N ATOM 820 CA LEU A 53 -9.809 -7.364 -6.834 1.00 0.00 C ATOM 821 C LEU A 53 -11.327 -7.225 -6.779 1.00 0.00 C ATOM 822 O LEU A 53 -11.873 -6.652 -5.837 1.00 0.00 O ATOM 823 CB LEU A 53 -9.306 -8.088 -5.584 1.00 0.00 C ATOM 824 CG LEU A 53 -7.789 -8.138 -5.402 1.00 0.00 C ATOM 825 CD1 LEU A 53 -7.434 -8.408 -3.948 1.00 0.00 C ATOM 826 CD2 LEU A 53 -7.178 -9.198 -6.308 1.00 0.00 C ATOM 0 H LEU A 53 -8.651 -5.766 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.548 -7.950 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.741 -7.605 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.683 -9.110 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.377 -7.168 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.350 -8.440 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.839 -7.614 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.858 -9.364 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.098 -9.220 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.596 -10.174 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.402 -8.961 -7.348 1.00 0.00 H new ATOM 838 N GLU A 54 -12.002 -7.756 -7.794 1.00 0.00 N ATOM 839 CA GLU A 54 -13.457 -7.692 -7.860 1.00 0.00 C ATOM 840 C GLU A 54 -14.085 -8.244 -6.583 1.00 0.00 C ATOM 841 O GLU A 54 -13.626 -9.248 -6.038 1.00 0.00 O ATOM 842 CB GLU A 54 -13.971 -8.472 -9.072 1.00 0.00 C ATOM 843 CG GLU A 54 -13.327 -8.052 -10.383 1.00 0.00 C ATOM 844 CD GLU A 54 -13.798 -8.888 -11.558 1.00 0.00 C ATOM 845 OE1 GLU A 54 -15.004 -9.205 -11.615 1.00 0.00 O ATOM 846 OE2 GLU A 54 -12.959 -9.223 -12.420 1.00 0.00 O ATOM 0 H GLU A 54 -11.565 -8.235 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.744 -6.645 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.791 -9.535 -8.912 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -15.050 -8.339 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.552 -7.003 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.244 -8.134 -10.294 1.00 0.00 H new ATOM 853 N SER A 55 -15.135 -7.580 -6.112 1.00 0.00 N ATOM 854 CA SER A 55 -15.823 -8.001 -4.897 1.00 0.00 C ATOM 855 C SER A 55 -17.231 -8.495 -5.213 1.00 0.00 C ATOM 856 O SER A 55 -18.053 -7.758 -5.756 1.00 0.00 O ATOM 857 CB SER A 55 -15.889 -6.846 -3.896 1.00 0.00 C ATOM 858 OG SER A 55 -14.590 -6.418 -3.525 1.00 0.00 O ATOM 0 H SER A 55 -15.528 -6.748 -6.553 1.00 0.00 H new ATOM 0 HA SER A 55 -15.258 -8.823 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.439 -6.013 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.439 -7.160 -3.009 1.00 0.00 H new ATOM 0 HG SER A 55 -14.659 -5.678 -2.886 1.00 0.00 H new ATOM 864 N GLY A 56 -17.503 -9.751 -4.869 1.00 0.00 N ATOM 865 CA GLY A 56 -18.812 -10.323 -5.124 1.00 0.00 C ATOM 866 C GLY A 56 -18.865 -11.807 -4.819 1.00 0.00 C ATOM 867 O GLY A 56 -17.849 -12.440 -4.529 1.00 0.00 O ATOM 0 H GLY A 56 -16.840 -10.382 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -19.556 -9.804 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.079 -10.160 -6.168 1.00 0.00 H new ATOM 871 N PRO A 57 -20.074 -12.385 -4.881 1.00 0.00 N ATOM 872 CA PRO A 57 -20.285 -13.810 -4.611 1.00 0.00 C ATOM 873 C PRO A 57 -19.695 -14.700 -5.700 1.00 0.00 C ATOM 874 O PRO A 57 -19.721 -15.926 -5.594 1.00 0.00 O ATOM 875 CB PRO A 57 -21.809 -13.943 -4.579 1.00 0.00 C ATOM 876 CG PRO A 57 -22.306 -12.817 -5.417 1.00 0.00 C ATOM 877 CD PRO A 57 -21.328 -11.692 -5.220 1.00 0.00 C ATOM 0 HA PRO A 57 -19.796 -14.127 -3.690 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -22.131 -14.905 -4.978 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -22.191 -13.877 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -22.362 -13.106 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -23.310 -12.519 -5.115 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -21.223 -11.089 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -21.644 -11.020 -4.422 1.00 0.00 H new ATOM 885 N SER A 58 -19.165 -14.075 -6.746 1.00 0.00 N ATOM 886 CA SER A 58 -18.571 -14.811 -7.856 1.00 0.00 C ATOM 887 C SER A 58 -17.866 -16.069 -7.359 1.00 0.00 C ATOM 888 O SER A 58 -18.190 -17.181 -7.775 1.00 0.00 O ATOM 889 CB SER A 58 -17.582 -13.923 -8.613 1.00 0.00 C ATOM 890 OG SER A 58 -17.000 -14.621 -9.701 1.00 0.00 O ATOM 0 H SER A 58 -19.135 -13.061 -6.848 1.00 0.00 H new ATOM 0 HA SER A 58 -19.372 -15.109 -8.532 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.094 -13.033 -8.980 1.00 0.00 H new ATOM 0 HB3 SER A 58 -16.800 -13.584 -7.934 1.00 0.00 H new ATOM 0 HG SER A 58 -16.373 -14.032 -10.170 1.00 0.00 H new ATOM 896 N SER A 59 -16.899 -15.884 -6.466 1.00 0.00 N ATOM 897 CA SER A 59 -16.144 -17.003 -5.914 1.00 0.00 C ATOM 898 C SER A 59 -16.421 -17.161 -4.422 1.00 0.00 C ATOM 899 O SER A 59 -16.488 -16.179 -3.684 1.00 0.00 O ATOM 900 CB SER A 59 -14.646 -16.799 -6.148 1.00 0.00 C ATOM 901 OG SER A 59 -14.091 -15.932 -5.174 1.00 0.00 O ATOM 0 H SER A 59 -16.620 -14.970 -6.109 1.00 0.00 H new ATOM 0 HA SER A 59 -16.463 -17.912 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.135 -17.761 -6.116 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.483 -16.385 -7.143 1.00 0.00 H new ATOM 0 HG SER A 59 -13.133 -15.819 -5.345 1.00 0.00 H new ATOM 907 N GLY A 60 -16.581 -18.406 -3.984 1.00 0.00 N ATOM 908 CA GLY A 60 -16.848 -18.672 -2.583 1.00 0.00 C ATOM 909 C GLY A 60 -18.327 -18.844 -2.297 1.00 0.00 C ATOM 910 O GLY A 60 -18.719 -19.118 -1.163 1.00 0.00 O ATOM 0 H GLY A 60 -16.530 -19.236 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.315 -19.573 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.457 -17.852 -1.980 1.00 0.00 H new TER 914 GLY A 60