USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 16 TYR OH : rot 83:sc= -0.263 USER MOD Set 1.2: A 23 GLN : amide:sc= -2.46 K(o=-2.7,f=-3.2!) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 14 SER OG : rot 180: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 11 GLN : amide:sc=-0.00753 X(o=-0.0075,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 22:sc= 0.376 USER MOD Single : A 30 GLN : amide:sc= -8.64! C(o=-8.6!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -5.09! C(o=-5.1!,f=-17!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.343 K(o=-0.34,f=-2.1) USER MOD Single : A 48 GLN : amide:sc= -1.05 X(o=-1.1,f=-0.56) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -4.26! C(o=-4.3!,f=-19!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.51! C(o=-4.5!,f=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.630 17.961 0.440 1.00 0.00 N ATOM 2 CA GLY A 1 4.631 17.142 -0.226 1.00 0.00 C ATOM 3 C GLY A 1 3.687 16.495 0.789 1.00 0.00 C ATOM 4 O GLY A 1 3.905 15.360 1.210 1.00 0.00 O ATOM 0 H1 GLY A 1 6.258 18.389 -0.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.158 18.713 0.982 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.190 17.369 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.058 17.755 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.124 16.368 -0.815 1.00 0.00 H new ATOM 8 N SER A 2 2.658 17.246 1.154 1.00 0.00 N ATOM 9 CA SER A 2 1.679 16.760 2.112 1.00 0.00 C ATOM 10 C SER A 2 0.499 17.730 2.192 1.00 0.00 C ATOM 11 O SER A 2 0.691 18.936 2.340 1.00 0.00 O ATOM 12 CB SER A 2 2.308 16.573 3.494 1.00 0.00 C ATOM 13 OG SER A 2 1.322 16.419 4.512 1.00 0.00 O ATOM 0 H SER A 2 2.481 18.187 0.804 1.00 0.00 H new ATOM 0 HA SER A 2 1.319 15.789 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.957 15.697 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.937 17.432 3.725 1.00 0.00 H new ATOM 0 HG SER A 2 1.763 16.301 5.379 1.00 0.00 H new ATOM 19 N SER A 3 -0.696 17.168 2.090 1.00 0.00 N ATOM 20 CA SER A 3 -1.908 17.968 2.150 1.00 0.00 C ATOM 21 C SER A 3 -2.950 17.274 3.029 1.00 0.00 C ATOM 22 O SER A 3 -3.659 16.381 2.569 1.00 0.00 O ATOM 23 CB SER A 3 -2.473 18.215 0.750 1.00 0.00 C ATOM 24 OG SER A 3 -2.236 19.548 0.306 1.00 0.00 O ATOM 0 H SER A 3 -0.851 16.168 1.966 1.00 0.00 H new ATOM 0 HA SER A 3 -1.659 18.935 2.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.022 17.514 0.048 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.545 18.019 0.752 1.00 0.00 H new ATOM 0 HG SER A 3 -2.610 19.665 -0.592 1.00 0.00 H new ATOM 30 N GLY A 4 -3.010 17.713 4.278 1.00 0.00 N ATOM 31 CA GLY A 4 -3.955 17.146 5.225 1.00 0.00 C ATOM 32 C GLY A 4 -4.056 15.628 5.057 1.00 0.00 C ATOM 33 O GLY A 4 -5.087 15.116 4.622 1.00 0.00 O ATOM 0 H GLY A 4 -2.420 18.454 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.643 17.383 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.936 17.598 5.080 1.00 0.00 H new ATOM 37 N SER A 5 -2.973 14.952 5.409 1.00 0.00 N ATOM 38 CA SER A 5 -2.927 13.504 5.302 1.00 0.00 C ATOM 39 C SER A 5 -1.592 12.981 5.837 1.00 0.00 C ATOM 40 O SER A 5 -0.608 13.717 5.883 1.00 0.00 O ATOM 41 CB SER A 5 -3.132 13.052 3.854 1.00 0.00 C ATOM 42 OG SER A 5 -4.315 12.272 3.701 1.00 0.00 O ATOM 0 H SER A 5 -2.120 15.380 5.769 1.00 0.00 H new ATOM 0 HA SER A 5 -3.738 13.091 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.188 13.926 3.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.269 12.470 3.530 1.00 0.00 H new ATOM 0 HG SER A 5 -4.411 12.004 2.763 1.00 0.00 H new ATOM 48 N SER A 6 -1.603 11.715 6.227 1.00 0.00 N ATOM 49 CA SER A 6 -0.405 11.086 6.757 1.00 0.00 C ATOM 50 C SER A 6 -0.542 9.563 6.694 1.00 0.00 C ATOM 51 O SER A 6 -0.909 8.928 7.681 1.00 0.00 O ATOM 52 CB SER A 6 -0.137 11.535 8.195 1.00 0.00 C ATOM 53 OG SER A 6 1.217 11.937 8.385 1.00 0.00 O ATOM 0 H SER A 6 -2.422 11.108 6.187 1.00 0.00 H new ATOM 0 HA SER A 6 0.442 11.394 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.800 12.363 8.446 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.373 10.720 8.879 1.00 0.00 H new ATOM 0 HG SER A 6 1.347 12.218 9.315 1.00 0.00 H new ATOM 59 N GLY A 7 -0.240 9.022 5.523 1.00 0.00 N ATOM 60 CA GLY A 7 -0.325 7.586 5.318 1.00 0.00 C ATOM 61 C GLY A 7 0.415 7.169 4.045 1.00 0.00 C ATOM 62 O GLY A 7 0.228 7.772 2.989 1.00 0.00 O ATOM 0 H GLY A 7 0.064 9.552 4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.100 7.067 6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.371 7.286 5.250 1.00 0.00 H new ATOM 66 N GLU A 8 1.238 6.141 4.187 1.00 0.00 N ATOM 67 CA GLU A 8 2.006 5.636 3.062 1.00 0.00 C ATOM 68 C GLU A 8 1.069 5.118 1.969 1.00 0.00 C ATOM 69 O GLU A 8 0.026 4.538 2.265 1.00 0.00 O ATOM 70 CB GLU A 8 2.983 4.547 3.509 1.00 0.00 C ATOM 71 CG GLU A 8 4.152 5.147 4.292 1.00 0.00 C ATOM 72 CD GLU A 8 3.670 5.782 5.598 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.194 5.013 6.461 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.788 7.022 5.703 1.00 0.00 O ATOM 0 H GLU A 8 1.390 5.644 5.065 1.00 0.00 H new ATOM 0 HA GLU A 8 2.593 6.457 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.461 3.818 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.361 4.012 2.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.885 4.370 4.510 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.655 5.898 3.683 1.00 0.00 H new ATOM 81 N ILE A 9 1.476 5.345 0.729 1.00 0.00 N ATOM 82 CA ILE A 9 0.685 4.908 -0.409 1.00 0.00 C ATOM 83 C ILE A 9 1.413 3.765 -1.121 1.00 0.00 C ATOM 84 O ILE A 9 2.634 3.649 -1.028 1.00 0.00 O ATOM 85 CB ILE A 9 0.359 6.092 -1.322 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.558 7.093 -0.615 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.229 5.615 -2.651 1.00 0.00 C ATOM 88 CD1 ILE A 9 -1.969 6.524 -0.453 1.00 0.00 C ATOM 0 H ILE A 9 2.343 5.826 0.487 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.277 4.517 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 9 1.289 6.613 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.147 7.340 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.599 8.020 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.451 6.477 -3.281 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.491 4.972 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.146 5.056 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.600 7.255 0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.386 6.301 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.927 5.610 0.139 1.00 0.00 H new ATOM 100 N ALA A 10 0.632 2.951 -1.816 1.00 0.00 N ATOM 101 CA ALA A 10 1.186 1.822 -2.543 1.00 0.00 C ATOM 102 C ALA A 10 0.318 1.535 -3.770 1.00 0.00 C ATOM 103 O ALA A 10 -0.908 1.504 -3.674 1.00 0.00 O ATOM 104 CB ALA A 10 1.292 0.615 -1.609 1.00 0.00 C ATOM 0 H ALA A 10 -0.380 3.051 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 10 2.192 2.050 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.708 -0.232 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.943 0.860 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.301 0.355 -1.236 1.00 0.00 H new ATOM 110 N GLN A 11 0.988 1.333 -4.895 1.00 0.00 N ATOM 111 CA GLN A 11 0.293 1.049 -6.139 1.00 0.00 C ATOM 112 C GLN A 11 0.198 -0.461 -6.362 1.00 0.00 C ATOM 113 O GLN A 11 1.206 -1.165 -6.306 1.00 0.00 O ATOM 114 CB GLN A 11 0.982 1.736 -7.320 1.00 0.00 C ATOM 115 CG GLN A 11 0.544 1.113 -8.647 1.00 0.00 C ATOM 116 CD GLN A 11 0.759 2.088 -9.808 1.00 0.00 C ATOM 117 OE1 GLN A 11 1.870 2.476 -10.128 1.00 0.00 O ATOM 118 NE2 GLN A 11 -0.364 2.459 -10.417 1.00 0.00 N ATOM 0 H GLN A 11 2.005 1.360 -4.971 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.718 1.449 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.743 2.799 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.064 1.652 -7.214 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.108 0.198 -8.827 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.508 0.834 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.262 2.095 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.327 3.107 -11.204 1.00 0.00 H new ATOM 127 N VAL A 12 -1.022 -0.915 -6.610 1.00 0.00 N ATOM 128 CA VAL A 12 -1.261 -2.330 -6.841 1.00 0.00 C ATOM 129 C VAL A 12 -0.577 -2.752 -8.143 1.00 0.00 C ATOM 130 O VAL A 12 -0.734 -2.097 -9.172 1.00 0.00 O ATOM 131 CB VAL A 12 -2.764 -2.614 -6.837 1.00 0.00 C ATOM 132 CG1 VAL A 12 -3.047 -4.079 -7.175 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.391 -2.230 -5.495 1.00 0.00 C ATOM 0 H VAL A 12 -1.855 -0.328 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.829 -2.927 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.223 -1.998 -7.610 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.123 -4.253 -7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.651 -4.307 -8.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.569 -4.722 -6.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.460 -2.442 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.924 -2.807 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.236 -1.167 -5.312 1.00 0.00 H new ATOM 143 N THR A 13 0.169 -3.844 -8.055 1.00 0.00 N ATOM 144 CA THR A 13 0.878 -4.361 -9.213 1.00 0.00 C ATOM 145 C THR A 13 0.298 -5.713 -9.633 1.00 0.00 C ATOM 146 O THR A 13 0.418 -6.111 -10.791 1.00 0.00 O ATOM 147 CB THR A 13 2.367 -4.420 -8.868 1.00 0.00 C ATOM 148 OG1 THR A 13 2.447 -5.402 -7.839 1.00 0.00 O ATOM 149 CG2 THR A 13 2.864 -3.137 -8.198 1.00 0.00 C ATOM 0 H THR A 13 0.298 -4.385 -7.200 1.00 0.00 H new ATOM 0 HA THR A 13 0.755 -3.707 -10.076 1.00 0.00 H new ATOM 0 HB THR A 13 2.942 -4.602 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.380 -5.505 -7.557 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.927 -3.232 -7.974 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.708 -2.292 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.312 -2.972 -7.273 1.00 0.00 H new ATOM 157 N SER A 14 -0.318 -6.382 -8.670 1.00 0.00 N ATOM 158 CA SER A 14 -0.917 -7.681 -8.925 1.00 0.00 C ATOM 159 C SER A 14 -2.286 -7.768 -8.247 1.00 0.00 C ATOM 160 O SER A 14 -2.418 -7.456 -7.065 1.00 0.00 O ATOM 161 CB SER A 14 -0.010 -8.812 -8.436 1.00 0.00 C ATOM 162 OG SER A 14 1.365 -8.437 -8.450 1.00 0.00 O ATOM 0 H SER A 14 -0.415 -6.049 -7.711 1.00 0.00 H new ATOM 0 HA SER A 14 -1.044 -7.793 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.298 -9.096 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.153 -9.690 -9.066 1.00 0.00 H new ATOM 0 HG SER A 14 1.911 -9.185 -8.130 1.00 0.00 H new ATOM 168 N ALA A 15 -3.270 -8.195 -9.026 1.00 0.00 N ATOM 169 CA ALA A 15 -4.624 -8.328 -8.515 1.00 0.00 C ATOM 170 C ALA A 15 -4.654 -9.413 -7.437 1.00 0.00 C ATOM 171 O ALA A 15 -3.971 -10.429 -7.554 1.00 0.00 O ATOM 172 CB ALA A 15 -5.578 -8.630 -9.672 1.00 0.00 C ATOM 0 H ALA A 15 -3.156 -8.453 -10.006 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.953 -7.397 -8.054 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.594 -8.730 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.541 -7.816 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.280 -9.560 -10.156 1.00 0.00 H new ATOM 178 N TYR A 16 -5.452 -9.160 -6.410 1.00 0.00 N ATOM 179 CA TYR A 16 -5.579 -10.102 -5.311 1.00 0.00 C ATOM 180 C TYR A 16 -7.049 -10.324 -4.947 1.00 0.00 C ATOM 181 O TYR A 16 -7.887 -9.453 -5.174 1.00 0.00 O ATOM 182 CB TYR A 16 -4.863 -9.461 -4.120 1.00 0.00 C ATOM 183 CG TYR A 16 -5.064 -10.206 -2.799 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.243 -11.266 -2.473 1.00 0.00 C ATOM 185 CD2 TYR A 16 -6.067 -9.818 -1.934 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.432 -11.967 -1.229 1.00 0.00 C ATOM 187 CE2 TYR A 16 -6.256 -10.519 -0.690 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.429 -11.558 -0.399 1.00 0.00 C ATOM 189 OH TYR A 16 -5.607 -12.220 0.775 1.00 0.00 O ATOM 0 H TYR A 16 -6.017 -8.316 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.154 -11.068 -5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.796 -9.407 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.217 -8.436 -4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.459 -11.570 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.710 -8.989 -2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.797 -12.798 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.037 -10.226 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.978 -11.876 1.443 1.00 0.00 H new ATOM 199 N VAL A 17 -7.316 -11.496 -4.389 1.00 0.00 N ATOM 200 CA VAL A 17 -8.670 -11.843 -3.992 1.00 0.00 C ATOM 201 C VAL A 17 -8.663 -12.328 -2.541 1.00 0.00 C ATOM 202 O VAL A 17 -7.973 -13.290 -2.207 1.00 0.00 O ATOM 203 CB VAL A 17 -9.252 -12.873 -4.963 1.00 0.00 C ATOM 204 CG1 VAL A 17 -10.721 -13.159 -4.643 1.00 0.00 C ATOM 205 CG2 VAL A 17 -9.085 -12.415 -6.413 1.00 0.00 C ATOM 0 H VAL A 17 -6.618 -12.216 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.318 -10.968 -4.039 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.696 -13.802 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.110 -13.894 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.803 -13.550 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.297 -12.237 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.507 -13.165 -7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.603 -11.467 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.025 -12.286 -6.634 1.00 0.00 H new ATOM 215 N ALA A 18 -9.438 -11.639 -1.716 1.00 0.00 N ATOM 216 CA ALA A 18 -9.529 -11.987 -0.309 1.00 0.00 C ATOM 217 C ALA A 18 -9.994 -13.438 -0.176 1.00 0.00 C ATOM 218 O ALA A 18 -10.659 -13.965 -1.066 1.00 0.00 O ATOM 219 CB ALA A 18 -10.467 -11.007 0.400 1.00 0.00 C ATOM 0 H ALA A 18 -10.009 -10.841 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.553 -11.908 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.535 -11.268 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.077 -9.994 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.458 -11.060 -0.052 1.00 0.00 H new ATOM 225 N SER A 19 -9.627 -14.043 0.944 1.00 0.00 N ATOM 226 CA SER A 19 -9.998 -15.424 1.205 1.00 0.00 C ATOM 227 C SER A 19 -9.848 -15.733 2.696 1.00 0.00 C ATOM 228 O SER A 19 -9.392 -16.813 3.068 1.00 0.00 O ATOM 229 CB SER A 19 -9.149 -16.389 0.376 1.00 0.00 C ATOM 230 OG SER A 19 -9.949 -17.331 -0.332 1.00 0.00 O ATOM 0 H SER A 19 -9.077 -13.603 1.681 1.00 0.00 H new ATOM 0 HA SER A 19 -11.040 -15.558 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.544 -15.823 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.459 -16.920 1.032 1.00 0.00 H new ATOM 0 HG SER A 19 -9.370 -17.928 -0.850 1.00 0.00 H new ATOM 236 N GLY A 20 -10.241 -14.764 3.511 1.00 0.00 N ATOM 237 CA GLY A 20 -10.157 -14.919 4.953 1.00 0.00 C ATOM 238 C GLY A 20 -11.293 -14.171 5.653 1.00 0.00 C ATOM 239 O GLY A 20 -12.466 -14.474 5.438 1.00 0.00 O ATOM 0 H GLY A 20 -10.618 -13.869 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.200 -15.977 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.197 -14.543 5.307 1.00 0.00 H new ATOM 243 N SER A 21 -10.906 -13.207 6.475 1.00 0.00 N ATOM 244 CA SER A 21 -11.878 -12.412 7.207 1.00 0.00 C ATOM 245 C SER A 21 -11.456 -10.942 7.211 1.00 0.00 C ATOM 246 O SER A 21 -12.275 -10.057 6.968 1.00 0.00 O ATOM 247 CB SER A 21 -12.038 -12.922 8.641 1.00 0.00 C ATOM 248 OG SER A 21 -13.402 -12.935 9.053 1.00 0.00 O ATOM 0 H SER A 21 -9.933 -12.958 6.651 1.00 0.00 H new ATOM 0 HA SER A 21 -12.842 -12.505 6.707 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.627 -13.929 8.716 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.461 -12.291 9.317 1.00 0.00 H new ATOM 0 HG SER A 21 -13.463 -13.268 9.973 1.00 0.00 H new ATOM 254 N GLU A 22 -10.178 -10.727 7.488 1.00 0.00 N ATOM 255 CA GLU A 22 -9.637 -9.379 7.527 1.00 0.00 C ATOM 256 C GLU A 22 -8.730 -9.136 6.319 1.00 0.00 C ATOM 257 O GLU A 22 -7.655 -8.553 6.453 1.00 0.00 O ATOM 258 CB GLU A 22 -8.887 -9.126 8.836 1.00 0.00 C ATOM 259 CG GLU A 22 -7.602 -9.954 8.900 1.00 0.00 C ATOM 260 CD GLU A 22 -7.190 -10.217 10.350 1.00 0.00 C ATOM 261 OE1 GLU A 22 -7.994 -10.859 11.060 1.00 0.00 O ATOM 262 OE2 GLU A 22 -6.082 -9.771 10.715 1.00 0.00 O ATOM 0 H GLU A 22 -9.502 -11.464 7.688 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.467 -8.674 7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.646 -8.067 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.528 -9.377 9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.750 -10.902 8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.801 -9.429 8.380 1.00 0.00 H new ATOM 269 N GLN A 23 -9.196 -9.596 5.167 1.00 0.00 N ATOM 270 CA GLN A 23 -8.440 -9.436 3.937 1.00 0.00 C ATOM 271 C GLN A 23 -9.096 -8.381 3.043 1.00 0.00 C ATOM 272 O GLN A 23 -10.309 -8.181 3.102 1.00 0.00 O ATOM 273 CB GLN A 23 -8.303 -10.770 3.200 1.00 0.00 C ATOM 274 CG GLN A 23 -7.015 -11.490 3.605 1.00 0.00 C ATOM 275 CD GLN A 23 -7.309 -12.917 4.074 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.457 -13.192 5.253 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.384 -13.805 3.087 1.00 0.00 N ATOM 0 H GLN A 23 -10.088 -10.079 5.060 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.437 -9.094 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.163 -11.402 3.422 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.304 -10.597 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.327 -11.516 2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.520 -10.936 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.250 -13.506 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.576 -14.785 3.296 1.00 0.00 H new ATOM 286 N LEU A 24 -8.267 -7.735 2.237 1.00 0.00 N ATOM 287 CA LEU A 24 -8.752 -6.706 1.333 1.00 0.00 C ATOM 288 C LEU A 24 -8.380 -7.080 -0.104 1.00 0.00 C ATOM 289 O LEU A 24 -7.226 -7.397 -0.388 1.00 0.00 O ATOM 290 CB LEU A 24 -8.239 -5.330 1.763 1.00 0.00 C ATOM 291 CG LEU A 24 -8.368 -4.213 0.726 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.827 -4.017 0.309 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.739 -2.915 1.237 1.00 0.00 C ATOM 0 H LEU A 24 -7.262 -7.904 2.191 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.839 -6.643 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.777 -5.028 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.188 -5.425 2.037 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.816 -4.510 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.890 -3.217 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.209 -4.941 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.423 -3.753 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.844 -2.137 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.242 -2.602 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.681 -3.080 1.443 1.00 0.00 H new ATOM 305 N SER A 25 -9.380 -7.029 -0.972 1.00 0.00 N ATOM 306 CA SER A 25 -9.172 -7.358 -2.372 1.00 0.00 C ATOM 307 C SER A 25 -8.421 -6.223 -3.070 1.00 0.00 C ATOM 308 O SER A 25 -8.881 -5.082 -3.078 1.00 0.00 O ATOM 309 CB SER A 25 -10.503 -7.627 -3.077 1.00 0.00 C ATOM 310 OG SER A 25 -11.347 -6.479 -3.081 1.00 0.00 O ATOM 0 H SER A 25 -10.336 -6.765 -0.733 1.00 0.00 H new ATOM 0 HA SER A 25 -8.573 -8.267 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.313 -7.940 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.015 -8.452 -2.582 1.00 0.00 H new ATOM 0 HG SER A 25 -10.804 -5.673 -2.951 1.00 0.00 H new ATOM 316 N LEU A 26 -7.278 -6.575 -3.640 1.00 0.00 N ATOM 317 CA LEU A 26 -6.459 -5.600 -4.340 1.00 0.00 C ATOM 318 C LEU A 26 -6.731 -5.696 -5.842 1.00 0.00 C ATOM 319 O LEU A 26 -7.047 -6.770 -6.352 1.00 0.00 O ATOM 320 CB LEU A 26 -4.985 -5.775 -3.970 1.00 0.00 C ATOM 321 CG LEU A 26 -4.688 -5.997 -2.485 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.261 -6.512 -2.282 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.959 -4.727 -1.676 1.00 0.00 C ATOM 0 H LEU A 26 -6.900 -7.522 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.724 -4.589 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.588 -6.622 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.440 -4.891 -4.301 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.364 -6.767 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.076 -6.661 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.137 -7.459 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.552 -5.783 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.740 -4.912 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.325 -3.920 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.006 -4.443 -1.784 1.00 0.00 H new ATOM 335 N ALA A 27 -6.598 -4.559 -6.509 1.00 0.00 N ATOM 336 CA ALA A 27 -6.826 -4.501 -7.943 1.00 0.00 C ATOM 337 C ALA A 27 -5.683 -3.730 -8.606 1.00 0.00 C ATOM 338 O ALA A 27 -5.205 -2.734 -8.064 1.00 0.00 O ATOM 339 CB ALA A 27 -8.192 -3.869 -8.218 1.00 0.00 C ATOM 0 H ALA A 27 -6.335 -3.670 -6.083 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.839 -5.504 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.363 -3.826 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.972 -4.470 -7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.216 -2.860 -7.806 1.00 0.00 H new ATOM 345 N PRO A 28 -5.266 -4.232 -9.799 1.00 0.00 N ATOM 346 CA PRO A 28 -4.188 -3.601 -10.542 1.00 0.00 C ATOM 347 C PRO A 28 -4.666 -2.311 -11.212 1.00 0.00 C ATOM 348 O PRO A 28 -5.501 -2.348 -12.114 1.00 0.00 O ATOM 349 CB PRO A 28 -3.729 -4.653 -11.538 1.00 0.00 C ATOM 350 CG PRO A 28 -4.863 -5.660 -11.634 1.00 0.00 C ATOM 351 CD PRO A 28 -5.809 -5.409 -10.471 1.00 0.00 C ATOM 0 HA PRO A 28 -3.362 -3.290 -9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.521 -4.206 -12.510 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.809 -5.132 -11.204 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.388 -5.554 -12.583 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.474 -6.678 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.827 -5.232 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.847 -6.266 -9.799 1.00 0.00 H new ATOM 359 N GLY A 29 -4.115 -1.201 -10.745 1.00 0.00 N ATOM 360 CA GLY A 29 -4.474 0.099 -11.287 1.00 0.00 C ATOM 361 C GLY A 29 -5.254 0.924 -10.263 1.00 0.00 C ATOM 362 O GLY A 29 -5.962 1.862 -10.626 1.00 0.00 O ATOM 0 H GLY A 29 -3.422 -1.174 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.572 0.636 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.075 -0.032 -12.187 1.00 0.00 H new ATOM 366 N GLN A 30 -5.100 0.545 -9.003 1.00 0.00 N ATOM 367 CA GLN A 30 -5.781 1.238 -7.923 1.00 0.00 C ATOM 368 C GLN A 30 -4.764 1.801 -6.928 1.00 0.00 C ATOM 369 O GLN A 30 -3.558 1.658 -7.121 1.00 0.00 O ATOM 370 CB GLN A 30 -6.780 0.315 -7.223 1.00 0.00 C ATOM 371 CG GLN A 30 -8.026 0.101 -8.085 1.00 0.00 C ATOM 372 CD GLN A 30 -9.254 -0.176 -7.215 1.00 0.00 C ATOM 373 OE1 GLN A 30 -10.252 0.524 -7.266 1.00 0.00 O ATOM 374 NE2 GLN A 30 -9.125 -1.231 -6.417 1.00 0.00 N ATOM 0 H GLN A 30 -4.513 -0.234 -8.706 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.342 2.070 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.309 -0.645 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.067 0.745 -6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.203 0.983 -8.700 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.862 -0.734 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.261 -1.774 -6.425 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.890 -1.498 -5.797 1.00 0.00 H new ATOM 383 N LEU A 31 -5.289 2.429 -5.887 1.00 0.00 N ATOM 384 CA LEU A 31 -4.442 3.014 -4.861 1.00 0.00 C ATOM 385 C LEU A 31 -4.974 2.622 -3.481 1.00 0.00 C ATOM 386 O LEU A 31 -6.183 2.495 -3.291 1.00 0.00 O ATOM 387 CB LEU A 31 -4.319 4.526 -5.066 1.00 0.00 C ATOM 388 CG LEU A 31 -3.770 4.976 -6.421 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.916 6.489 -6.596 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.324 4.514 -6.609 1.00 0.00 C ATOM 0 H LEU A 31 -6.290 2.546 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.428 2.621 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.304 4.973 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.675 4.928 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.363 4.502 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.518 6.783 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.970 6.762 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.364 7.001 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.959 4.847 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.701 4.939 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.280 3.426 -6.559 1.00 0.00 H new ATOM 402 N ILE A 32 -4.046 2.441 -2.554 1.00 0.00 N ATOM 403 CA ILE A 32 -4.406 2.066 -1.197 1.00 0.00 C ATOM 404 C ILE A 32 -3.553 2.863 -0.208 1.00 0.00 C ATOM 405 O ILE A 32 -2.392 3.161 -0.485 1.00 0.00 O ATOM 406 CB ILE A 32 -4.304 0.550 -1.015 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.484 -0.163 -1.678 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.170 0.183 0.464 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.036 -1.468 -2.338 1.00 0.00 C ATOM 0 H ILE A 32 -3.044 2.547 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.447 2.319 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.399 0.206 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.252 -0.373 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.935 0.490 -2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.099 -0.900 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.272 0.645 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.043 0.542 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.894 -1.955 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.286 -1.252 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.608 -2.129 -1.584 1.00 0.00 H new ATOM 421 N LEU A 33 -4.161 3.185 0.924 1.00 0.00 N ATOM 422 CA LEU A 33 -3.472 3.941 1.955 1.00 0.00 C ATOM 423 C LEU A 33 -3.059 2.996 3.085 1.00 0.00 C ATOM 424 O LEU A 33 -3.910 2.422 3.762 1.00 0.00 O ATOM 425 CB LEU A 33 -4.332 5.118 2.421 1.00 0.00 C ATOM 426 CG LEU A 33 -3.693 6.047 3.456 1.00 0.00 C ATOM 427 CD1 LEU A 33 -2.901 7.164 2.774 1.00 0.00 C ATOM 428 CD2 LEU A 33 -4.744 6.597 4.422 1.00 0.00 C ATOM 0 H LEU A 33 -5.124 2.936 1.150 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.558 4.381 1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.604 5.711 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.258 4.723 2.839 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.986 5.465 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.457 7.810 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.112 6.728 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.569 7.751 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.263 7.254 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.493 7.159 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.226 5.771 4.945 1.00 0.00 H new ATOM 440 N ILE A 34 -1.751 2.863 3.253 1.00 0.00 N ATOM 441 CA ILE A 34 -1.214 1.996 4.289 1.00 0.00 C ATOM 442 C ILE A 34 -1.569 2.571 5.662 1.00 0.00 C ATOM 443 O ILE A 34 -1.233 3.714 5.966 1.00 0.00 O ATOM 444 CB ILE A 34 0.286 1.780 4.082 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.584 1.349 2.644 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.843 0.788 5.105 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.145 0.049 2.299 1.00 0.00 C ATOM 0 H ILE A 34 -1.048 3.341 2.690 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.666 1.006 4.230 1.00 0.00 H new ATOM 0 HB ILE A 34 0.794 2.730 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.278 2.136 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.658 1.213 2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.911 0.652 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.681 1.174 6.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.334 -0.170 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.084 -0.235 1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.181 -0.741 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.220 0.196 2.404 1.00 0.00 H new ATOM 459 N LEU A 35 -2.244 1.751 6.455 1.00 0.00 N ATOM 460 CA LEU A 35 -2.647 2.163 7.788 1.00 0.00 C ATOM 461 C LEU A 35 -1.800 1.422 8.825 1.00 0.00 C ATOM 462 O LEU A 35 -1.283 2.032 9.759 1.00 0.00 O ATOM 463 CB LEU A 35 -4.154 1.972 7.975 1.00 0.00 C ATOM 464 CG LEU A 35 -5.033 2.365 6.786 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.122 1.319 6.540 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.616 3.767 6.974 1.00 0.00 C ATOM 0 H LEU A 35 -2.522 0.803 6.199 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.464 3.228 7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.341 0.924 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.469 2.553 8.842 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.407 2.394 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.733 1.623 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.659 0.355 6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.751 1.233 7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.237 4.021 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.223 3.790 7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.805 4.490 7.062 1.00 0.00 H new ATOM 478 N LYS A 36 -1.685 0.118 8.624 1.00 0.00 N ATOM 479 CA LYS A 36 -0.909 -0.712 9.530 1.00 0.00 C ATOM 480 C LYS A 36 0.003 -1.632 8.717 1.00 0.00 C ATOM 481 O LYS A 36 -0.413 -2.184 7.699 1.00 0.00 O ATOM 482 CB LYS A 36 -1.832 -1.459 10.496 1.00 0.00 C ATOM 483 CG LYS A 36 -1.225 -1.517 11.899 1.00 0.00 C ATOM 484 CD LYS A 36 -0.074 -2.523 11.958 1.00 0.00 C ATOM 485 CE LYS A 36 -0.162 -3.383 13.221 1.00 0.00 C ATOM 486 NZ LYS A 36 1.044 -3.198 14.058 1.00 0.00 N ATOM 0 H LYS A 36 -2.116 -0.384 7.848 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.264 -0.094 10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.802 -0.963 10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.007 -2.470 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.864 -0.529 12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.993 -1.796 12.620 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.100 -3.163 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.878 -1.993 11.940 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.052 -3.114 13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.264 -4.433 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.969 -3.788 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.888 -3.477 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.125 -2.199 14.335 1.00 0.00 H new ATOM 500 N LYS A 37 1.231 -1.769 9.195 1.00 0.00 N ATOM 501 CA LYS A 37 2.206 -2.612 8.525 1.00 0.00 C ATOM 502 C LYS A 37 2.739 -3.652 9.512 1.00 0.00 C ATOM 503 O LYS A 37 2.776 -3.408 10.717 1.00 0.00 O ATOM 504 CB LYS A 37 3.301 -1.758 7.881 1.00 0.00 C ATOM 505 CG LYS A 37 2.724 -0.869 6.778 1.00 0.00 C ATOM 506 CD LYS A 37 3.787 -0.537 5.729 1.00 0.00 C ATOM 507 CE LYS A 37 4.219 0.928 5.830 1.00 0.00 C ATOM 508 NZ LYS A 37 5.471 1.046 6.609 1.00 0.00 N ATOM 0 H LYS A 37 1.573 -1.310 10.039 1.00 0.00 H new ATOM 0 HA LYS A 37 1.738 -3.159 7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.778 -1.138 8.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.074 -2.404 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.883 -1.374 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.338 0.052 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.653 -1.185 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.394 -0.736 4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.365 1.340 4.831 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.432 1.514 6.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.750 2.046 6.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.320 0.672 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.224 0.503 6.140 1.00 0.00 H new ATOM 522 N ASN A 38 3.139 -4.791 8.965 1.00 0.00 N ATOM 523 CA ASN A 38 3.668 -5.869 9.783 1.00 0.00 C ATOM 524 C ASN A 38 4.835 -6.533 9.051 1.00 0.00 C ATOM 525 O ASN A 38 5.059 -6.274 7.869 1.00 0.00 O ATOM 526 CB ASN A 38 2.603 -6.937 10.043 1.00 0.00 C ATOM 527 CG ASN A 38 2.320 -7.748 8.777 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.761 -7.421 7.687 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.561 -8.821 8.980 1.00 0.00 N ATOM 0 H ASN A 38 3.107 -4.990 7.965 1.00 0.00 H new ATOM 0 HA ASN A 38 3.991 -5.444 10.733 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.937 -7.603 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.684 -6.463 10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.315 -9.427 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.225 -9.038 9.918 1.00 0.00 H new ATOM 536 N THR A 39 5.548 -7.378 9.782 1.00 0.00 N ATOM 537 CA THR A 39 6.686 -8.081 9.216 1.00 0.00 C ATOM 538 C THR A 39 6.216 -9.281 8.391 1.00 0.00 C ATOM 539 O THR A 39 6.838 -9.633 7.391 1.00 0.00 O ATOM 540 CB THR A 39 7.623 -8.463 10.364 1.00 0.00 C ATOM 541 OG1 THR A 39 8.606 -9.292 9.748 1.00 0.00 O ATOM 542 CG2 THR A 39 6.952 -9.380 11.388 1.00 0.00 C ATOM 0 H THR A 39 5.359 -7.591 10.761 1.00 0.00 H new ATOM 0 HA THR A 39 7.238 -7.446 8.523 1.00 0.00 H new ATOM 0 HB THR A 39 7.974 -7.559 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.256 -9.584 10.421 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.661 -9.620 12.181 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.086 -8.875 11.816 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.631 -10.299 10.898 1.00 0.00 H new ATOM 550 N SER A 40 5.120 -9.875 8.841 1.00 0.00 N ATOM 551 CA SER A 40 4.559 -11.027 8.157 1.00 0.00 C ATOM 552 C SER A 40 4.525 -10.775 6.649 1.00 0.00 C ATOM 553 O SER A 40 4.886 -11.648 5.861 1.00 0.00 O ATOM 554 CB SER A 40 3.154 -11.344 8.674 1.00 0.00 C ATOM 555 OG SER A 40 2.977 -12.737 8.917 1.00 0.00 O ATOM 0 H SER A 40 4.606 -9.580 9.671 1.00 0.00 H new ATOM 0 HA SER A 40 5.195 -11.889 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.973 -10.789 9.595 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.415 -11.006 7.947 1.00 0.00 H new ATOM 0 HG SER A 40 2.069 -12.899 9.247 1.00 0.00 H new ATOM 561 N GLY A 41 4.088 -9.576 6.291 1.00 0.00 N ATOM 562 CA GLY A 41 4.002 -9.198 4.891 1.00 0.00 C ATOM 563 C GLY A 41 2.598 -8.701 4.542 1.00 0.00 C ATOM 564 O GLY A 41 2.333 -8.331 3.399 1.00 0.00 O ATOM 0 H GLY A 41 3.790 -8.854 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.732 -8.417 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.255 -10.053 4.264 1.00 0.00 H new ATOM 568 N TRP A 42 1.736 -8.709 5.548 1.00 0.00 N ATOM 569 CA TRP A 42 0.365 -8.263 5.362 1.00 0.00 C ATOM 570 C TRP A 42 0.280 -6.800 5.802 1.00 0.00 C ATOM 571 O TRP A 42 0.708 -6.453 6.902 1.00 0.00 O ATOM 572 CB TRP A 42 -0.613 -9.171 6.110 1.00 0.00 C ATOM 573 CG TRP A 42 -0.724 -10.581 5.527 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.081 -11.630 5.747 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.735 -11.057 4.615 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.336 -12.742 5.045 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.475 -12.383 4.334 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.833 -10.389 4.044 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.268 -13.155 3.477 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.616 -11.174 3.190 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.368 -12.510 2.897 1.00 0.00 C ATOM 0 H TRP A 42 1.960 -9.017 6.494 1.00 0.00 H new ATOM 0 HA TRP A 42 0.077 -8.328 4.313 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.301 -9.243 7.152 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.600 -8.708 6.104 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.947 -11.607 6.392 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.110 -13.659 5.047 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.055 -9.352 4.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.044 -14.192 3.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.473 -10.709 2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.020 -13.048 2.225 1.00 0.00 H new ATOM 592 N TRP A 43 -0.276 -5.981 4.921 1.00 0.00 N ATOM 593 CA TRP A 43 -0.422 -4.564 5.205 1.00 0.00 C ATOM 594 C TRP A 43 -1.916 -4.261 5.337 1.00 0.00 C ATOM 595 O TRP A 43 -2.733 -4.815 4.603 1.00 0.00 O ATOM 596 CB TRP A 43 0.268 -3.716 4.135 1.00 0.00 C ATOM 597 CG TRP A 43 1.792 -3.679 4.257 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.557 -4.231 5.209 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.712 -3.030 3.354 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.897 -3.986 4.987 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.994 -3.233 3.823 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.468 -2.295 2.180 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.133 -2.734 3.180 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.617 -1.803 1.549 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.915 -1.999 2.008 1.00 0.00 C ATOM 0 H TRP A 43 -0.631 -6.272 4.010 1.00 0.00 H new ATOM 0 HA TRP A 43 0.070 -4.305 6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.002 -4.104 3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.115 -2.697 4.191 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.173 -4.797 6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.673 -4.300 5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.473 -2.124 1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.126 -2.907 3.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.486 -1.231 0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.751 -1.586 1.463 1.00 0.00 H new ATOM 616 N GLN A 44 -2.228 -3.381 6.277 1.00 0.00 N ATOM 617 CA GLN A 44 -3.609 -2.997 6.515 1.00 0.00 C ATOM 618 C GLN A 44 -3.847 -1.557 6.055 1.00 0.00 C ATOM 619 O GLN A 44 -3.612 -0.615 6.810 1.00 0.00 O ATOM 620 CB GLN A 44 -3.981 -3.171 7.989 1.00 0.00 C ATOM 621 CG GLN A 44 -5.488 -3.007 8.197 1.00 0.00 C ATOM 622 CD GLN A 44 -5.839 -3.016 9.686 1.00 0.00 C ATOM 623 OE1 GLN A 44 -5.023 -2.725 10.545 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.097 -3.366 9.943 1.00 0.00 N ATOM 0 H GLN A 44 -1.548 -2.923 6.883 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.254 -3.655 5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.668 -4.157 8.333 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.445 -2.438 8.592 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.821 -2.072 7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.019 -3.812 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.729 -3.598 9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.429 -3.403 10.907 1.00 0.00 H new ATOM 633 N GLY A 45 -4.309 -1.433 4.820 1.00 0.00 N ATOM 634 CA GLY A 45 -4.581 -0.124 4.251 1.00 0.00 C ATOM 635 C GLY A 45 -6.045 -0.004 3.825 1.00 0.00 C ATOM 636 O GLY A 45 -6.838 -0.917 4.051 1.00 0.00 O ATOM 0 H GLY A 45 -4.502 -2.217 4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.347 0.650 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.933 0.044 3.390 1.00 0.00 H new ATOM 640 N GLU A 46 -6.360 1.129 3.214 1.00 0.00 N ATOM 641 CA GLU A 46 -7.716 1.379 2.754 1.00 0.00 C ATOM 642 C GLU A 46 -7.709 1.781 1.278 1.00 0.00 C ATOM 643 O GLU A 46 -7.059 2.754 0.898 1.00 0.00 O ATOM 644 CB GLU A 46 -8.396 2.449 3.610 1.00 0.00 C ATOM 645 CG GLU A 46 -9.780 2.796 3.057 1.00 0.00 C ATOM 646 CD GLU A 46 -9.963 4.311 2.946 1.00 0.00 C ATOM 647 OE1 GLU A 46 -9.475 4.869 1.940 1.00 0.00 O ATOM 648 OE2 GLU A 46 -10.586 4.876 3.870 1.00 0.00 O ATOM 0 H GLU A 46 -5.700 1.884 3.027 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.290 0.458 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.489 2.094 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.776 3.345 3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.909 2.338 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.550 2.380 3.707 1.00 0.00 H new ATOM 655 N LEU A 47 -8.440 1.011 0.485 1.00 0.00 N ATOM 656 CA LEU A 47 -8.527 1.274 -0.941 1.00 0.00 C ATOM 657 C LEU A 47 -8.875 2.747 -1.163 1.00 0.00 C ATOM 658 O LEU A 47 -9.937 3.208 -0.746 1.00 0.00 O ATOM 659 CB LEU A 47 -9.506 0.304 -1.606 1.00 0.00 C ATOM 660 CG LEU A 47 -9.042 -0.318 -2.925 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.758 -1.644 -3.188 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.212 0.666 -4.085 1.00 0.00 C ATOM 0 H LEU A 47 -8.977 0.205 0.803 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.564 1.098 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.722 -0.501 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.443 0.831 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.978 -0.538 -2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.410 -2.065 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.542 -2.341 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.833 -1.473 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.875 0.199 -5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.263 0.940 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.619 1.561 -3.893 1.00 0.00 H new ATOM 674 N GLN A 48 -7.961 3.446 -1.820 1.00 0.00 N ATOM 675 CA GLN A 48 -8.157 4.857 -2.103 1.00 0.00 C ATOM 676 C GLN A 48 -8.844 5.037 -3.458 1.00 0.00 C ATOM 677 O GLN A 48 -8.580 6.006 -4.168 1.00 0.00 O ATOM 678 CB GLN A 48 -6.830 5.616 -2.056 1.00 0.00 C ATOM 679 CG GLN A 48 -6.291 5.691 -0.626 1.00 0.00 C ATOM 680 CD GLN A 48 -6.969 6.816 0.158 1.00 0.00 C ATOM 681 OE1 GLN A 48 -7.014 7.961 -0.263 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.492 6.429 1.318 1.00 0.00 N ATOM 0 H GLN A 48 -7.082 3.061 -2.165 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.804 5.275 -1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.101 5.121 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.969 6.623 -2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.457 4.740 -0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.214 5.856 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.419 5.455 1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.966 7.107 1.915 1.00 0.00 H new ATOM 691 N ALA A 49 -9.712 4.087 -3.776 1.00 0.00 N ATOM 692 CA ALA A 49 -10.438 4.128 -5.034 1.00 0.00 C ATOM 693 C ALA A 49 -11.918 3.841 -4.772 1.00 0.00 C ATOM 694 O ALA A 49 -12.471 2.878 -5.301 1.00 0.00 O ATOM 695 CB ALA A 49 -9.816 3.133 -6.015 1.00 0.00 C ATOM 0 H ALA A 49 -9.929 3.285 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.368 5.117 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.361 3.164 -6.959 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.773 3.397 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.871 2.128 -5.597 1.00 0.00 H new ATOM 701 N ARG A 50 -12.518 4.696 -3.956 1.00 0.00 N ATOM 702 CA ARG A 50 -13.924 4.546 -3.619 1.00 0.00 C ATOM 703 C ARG A 50 -14.245 3.080 -3.321 1.00 0.00 C ATOM 704 O ARG A 50 -13.340 2.264 -3.154 1.00 0.00 O ATOM 705 CB ARG A 50 -14.819 5.037 -4.758 1.00 0.00 C ATOM 706 CG ARG A 50 -14.701 4.124 -5.980 1.00 0.00 C ATOM 707 CD ARG A 50 -15.816 4.410 -6.988 1.00 0.00 C ATOM 708 NE ARG A 50 -16.172 3.170 -7.713 1.00 0.00 N ATOM 709 CZ ARG A 50 -17.351 2.964 -8.315 1.00 0.00 C ATOM 710 NH1 ARG A 50 -18.295 3.915 -8.283 1.00 0.00 N ATOM 711 NH2 ARG A 50 -17.587 1.808 -8.950 1.00 0.00 N ATOM 0 H ARG A 50 -12.057 5.494 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.119 5.151 -2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -15.856 5.070 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.540 6.055 -5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.731 4.269 -6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.749 3.081 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.692 4.804 -6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.492 5.174 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.476 2.426 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.116 4.796 -7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.193 3.758 -8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.869 1.084 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -18.485 1.652 -9.408 1.00 0.00 H new ATOM 725 N GLY A 51 -15.537 2.791 -3.265 1.00 0.00 N ATOM 726 CA GLY A 51 -15.989 1.437 -2.990 1.00 0.00 C ATOM 727 C GLY A 51 -17.246 1.446 -2.118 1.00 0.00 C ATOM 728 O GLY A 51 -17.702 2.505 -1.690 1.00 0.00 O ATOM 0 H GLY A 51 -16.285 3.470 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.196 0.921 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.198 0.880 -2.488 1.00 0.00 H new ATOM 732 N LYS A 52 -17.771 0.252 -1.881 1.00 0.00 N ATOM 733 CA LYS A 52 -18.966 0.108 -1.067 1.00 0.00 C ATOM 734 C LYS A 52 -18.886 1.066 0.123 1.00 0.00 C ATOM 735 O LYS A 52 -19.774 1.895 0.319 1.00 0.00 O ATOM 736 CB LYS A 52 -19.169 -1.354 -0.667 1.00 0.00 C ATOM 737 CG LYS A 52 -20.657 -1.709 -0.621 1.00 0.00 C ATOM 738 CD LYS A 52 -20.875 -3.196 -0.907 1.00 0.00 C ATOM 739 CE LYS A 52 -21.958 -3.397 -1.968 1.00 0.00 C ATOM 740 NZ LYS A 52 -23.289 -3.046 -1.424 1.00 0.00 N ATOM 0 H LYS A 52 -17.390 -0.624 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.852 0.383 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -18.658 -2.003 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.718 -1.534 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.064 -1.460 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.200 -1.111 -1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -19.941 -3.646 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -21.161 -3.709 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -21.741 -2.779 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.958 -4.434 -2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -24.012 -3.188 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -23.501 -3.653 -0.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -23.290 -2.050 -1.125 1.00 0.00 H new ATOM 754 N LYS A 53 -17.813 0.922 0.887 1.00 0.00 N ATOM 755 CA LYS A 53 -17.605 1.764 2.053 1.00 0.00 C ATOM 756 C LYS A 53 -16.114 1.796 2.394 1.00 0.00 C ATOM 757 O LYS A 53 -15.685 1.186 3.373 1.00 0.00 O ATOM 758 CB LYS A 53 -18.492 1.303 3.211 1.00 0.00 C ATOM 759 CG LYS A 53 -19.096 2.500 3.949 1.00 0.00 C ATOM 760 CD LYS A 53 -18.689 2.496 5.424 1.00 0.00 C ATOM 761 CE LYS A 53 -19.871 2.874 6.319 1.00 0.00 C ATOM 762 NZ LYS A 53 -19.627 4.178 6.977 1.00 0.00 N ATOM 0 H LYS A 53 -17.078 0.234 0.721 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.905 2.790 1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.290 0.665 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.906 0.701 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.765 3.426 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.183 2.472 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -18.320 1.508 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.870 3.198 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.783 2.925 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.025 2.102 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.439 4.420 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.768 4.117 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.503 4.914 6.253 1.00 0.00 H new ATOM 776 N ARG A 54 -15.366 2.513 1.569 1.00 0.00 N ATOM 777 CA ARG A 54 -13.932 2.632 1.772 1.00 0.00 C ATOM 778 C ARG A 54 -13.345 1.290 2.215 1.00 0.00 C ATOM 779 O ARG A 54 -13.289 0.997 3.408 1.00 0.00 O ATOM 780 CB ARG A 54 -13.611 3.694 2.825 1.00 0.00 C ATOM 781 CG ARG A 54 -13.788 5.103 2.255 1.00 0.00 C ATOM 782 CD ARG A 54 -12.530 5.554 1.510 1.00 0.00 C ATOM 783 NE ARG A 54 -12.825 6.757 0.700 1.00 0.00 N ATOM 784 CZ ARG A 54 -12.951 7.992 1.207 1.00 0.00 C ATOM 785 NH1 ARG A 54 -12.808 8.193 2.524 1.00 0.00 N ATOM 786 NH2 ARG A 54 -13.220 9.024 0.396 1.00 0.00 N ATOM 0 H ARG A 54 -15.726 3.017 0.759 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.487 2.931 0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.262 3.563 3.689 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.587 3.566 3.176 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.642 5.121 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.007 5.801 3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.734 5.771 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.171 4.751 0.866 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.940 6.639 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.603 7.407 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.904 9.132 2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.329 8.870 -0.606 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.316 9.964 0.781 1.00 0.00 H new ATOM 800 N GLN A 55 -12.923 0.511 1.230 1.00 0.00 N ATOM 801 CA GLN A 55 -12.342 -0.792 1.503 1.00 0.00 C ATOM 802 C GLN A 55 -11.267 -0.678 2.586 1.00 0.00 C ATOM 803 O GLN A 55 -10.655 0.376 2.749 1.00 0.00 O ATOM 804 CB GLN A 55 -11.772 -1.417 0.228 1.00 0.00 C ATOM 805 CG GLN A 55 -12.669 -2.550 -0.276 1.00 0.00 C ATOM 806 CD GLN A 55 -12.855 -3.622 0.800 1.00 0.00 C ATOM 807 OE1 GLN A 55 -12.439 -3.475 1.938 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.501 -4.705 0.379 1.00 0.00 N ATOM 0 H GLN A 55 -12.972 0.757 0.241 1.00 0.00 H new ATOM 0 HA GLN A 55 -13.130 -1.450 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.676 -0.654 -0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.771 -1.801 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.640 -2.148 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.230 -2.997 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.823 -4.764 -0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.675 -5.477 1.022 1.00 0.00 H new ATOM 817 N LYS A 56 -11.070 -1.778 3.298 1.00 0.00 N ATOM 818 CA LYS A 56 -10.080 -1.815 4.360 1.00 0.00 C ATOM 819 C LYS A 56 -9.903 -3.257 4.837 1.00 0.00 C ATOM 820 O LYS A 56 -10.868 -3.905 5.239 1.00 0.00 O ATOM 821 CB LYS A 56 -10.456 -0.839 5.477 1.00 0.00 C ATOM 822 CG LYS A 56 -9.209 -0.326 6.200 1.00 0.00 C ATOM 823 CD LYS A 56 -8.936 -1.139 7.467 1.00 0.00 C ATOM 824 CE LYS A 56 -9.315 -0.345 8.719 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.678 -0.705 9.169 1.00 0.00 N ATOM 0 H LYS A 56 -11.580 -2.651 3.160 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.111 -1.481 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.010 0.002 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.116 -1.333 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.348 -0.384 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.341 0.724 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.503 -2.069 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.881 -1.410 7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.598 -0.546 9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.266 0.723 8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.919 -0.157 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.361 -0.491 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.714 -1.721 9.390 1.00 0.00 H new ATOM 839 N GLY A 57 -8.662 -3.719 4.777 1.00 0.00 N ATOM 840 CA GLY A 57 -8.346 -5.073 5.198 1.00 0.00 C ATOM 841 C GLY A 57 -6.839 -5.328 5.139 1.00 0.00 C ATOM 842 O GLY A 57 -6.069 -4.441 4.775 1.00 0.00 O ATOM 0 H GLY A 57 -7.864 -3.179 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.706 -5.235 6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.865 -5.787 4.558 1.00 0.00 H new ATOM 846 N TRP A 58 -6.463 -6.546 5.501 1.00 0.00 N ATOM 847 CA TRP A 58 -5.061 -6.929 5.494 1.00 0.00 C ATOM 848 C TRP A 58 -4.765 -7.614 4.158 1.00 0.00 C ATOM 849 O TRP A 58 -5.347 -8.652 3.846 1.00 0.00 O ATOM 850 CB TRP A 58 -4.726 -7.806 6.702 1.00 0.00 C ATOM 851 CG TRP A 58 -4.731 -7.056 8.036 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.786 -6.735 8.798 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.579 -6.543 8.738 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.400 -6.056 9.935 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.015 -5.936 9.898 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.214 -6.591 8.405 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.151 -5.330 10.818 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.364 -5.981 9.334 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.787 -5.365 10.506 1.00 0.00 C ATOM 0 H TRP A 58 -7.104 -7.280 5.801 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.421 -6.051 5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.444 -8.624 6.754 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.743 -8.253 6.552 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.809 -6.977 8.553 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.017 -5.706 10.668 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.850 -7.061 7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.517 -4.861 11.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.304 -5.989 9.126 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.066 -4.915 11.173 1.00 0.00 H new ATOM 870 N PHE A 59 -3.861 -7.005 3.405 1.00 0.00 N ATOM 871 CA PHE A 59 -3.481 -7.543 2.110 1.00 0.00 C ATOM 872 C PHE A 59 -1.960 -7.668 1.993 1.00 0.00 C ATOM 873 O PHE A 59 -1.222 -7.019 2.732 1.00 0.00 O ATOM 874 CB PHE A 59 -3.983 -6.559 1.052 1.00 0.00 C ATOM 875 CG PHE A 59 -3.260 -5.210 1.064 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.989 -5.116 0.588 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.888 -4.106 1.550 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.318 -3.864 0.599 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.217 -2.855 1.561 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.946 -2.760 1.085 1.00 0.00 C ATOM 0 H PHE A 59 -3.381 -6.144 3.667 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.911 -8.536 1.979 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.870 -7.012 0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.049 -6.390 1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.490 -5.993 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.897 -4.181 1.928 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.309 -3.789 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.716 -1.978 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.436 -1.808 1.093 1.00 0.00 H new ATOM 890 N PRO A 60 -1.526 -8.529 1.034 1.00 0.00 N ATOM 891 CA PRO A 60 -0.107 -8.747 0.810 1.00 0.00 C ATOM 892 C PRO A 60 0.521 -7.560 0.078 1.00 0.00 C ATOM 893 O PRO A 60 -0.003 -7.104 -0.937 1.00 0.00 O ATOM 894 CB PRO A 60 -0.028 -10.043 0.019 1.00 0.00 C ATOM 895 CG PRO A 60 -1.413 -10.257 -0.570 1.00 0.00 C ATOM 896 CD PRO A 60 -2.372 -9.315 0.140 1.00 0.00 C ATOM 0 HA PRO A 60 0.458 -8.828 1.739 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.724 -9.976 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.256 -10.876 0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.407 -10.059 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.728 -11.292 -0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.898 -8.677 -0.570 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.130 -9.867 0.696 1.00 0.00 H new ATOM 904 N ALA A 61 1.636 -7.093 0.621 1.00 0.00 N ATOM 905 CA ALA A 61 2.342 -5.968 0.032 1.00 0.00 C ATOM 906 C ALA A 61 2.982 -6.407 -1.287 1.00 0.00 C ATOM 907 O ALA A 61 3.327 -5.572 -2.121 1.00 0.00 O ATOM 908 CB ALA A 61 3.371 -5.431 1.029 1.00 0.00 C ATOM 0 H ALA A 61 2.068 -7.474 1.463 1.00 0.00 H new ATOM 0 HA ALA A 61 1.650 -5.156 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.900 -4.587 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.863 -5.105 1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.084 -6.218 1.275 1.00 0.00 H new ATOM 914 N SER A 62 3.120 -7.716 -1.434 1.00 0.00 N ATOM 915 CA SER A 62 3.712 -8.276 -2.637 1.00 0.00 C ATOM 916 C SER A 62 2.794 -8.030 -3.835 1.00 0.00 C ATOM 917 O SER A 62 3.181 -8.270 -4.978 1.00 0.00 O ATOM 918 CB SER A 62 3.981 -9.773 -2.473 1.00 0.00 C ATOM 919 OG SER A 62 4.785 -10.049 -1.329 1.00 0.00 O ATOM 0 H SER A 62 2.832 -8.406 -0.740 1.00 0.00 H new ATOM 0 HA SER A 62 4.667 -7.780 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.033 -10.304 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.479 -10.152 -3.366 1.00 0.00 H new ATOM 0 HG SER A 62 4.933 -11.015 -1.258 1.00 0.00 H new ATOM 925 N HIS A 63 1.595 -7.553 -3.534 1.00 0.00 N ATOM 926 CA HIS A 63 0.619 -7.271 -4.572 1.00 0.00 C ATOM 927 C HIS A 63 0.662 -5.784 -4.927 1.00 0.00 C ATOM 928 O HIS A 63 0.181 -5.380 -5.985 1.00 0.00 O ATOM 929 CB HIS A 63 -0.775 -7.740 -4.149 1.00 0.00 C ATOM 930 CG HIS A 63 -1.068 -9.181 -4.492 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.861 -9.550 -5.565 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.667 -10.339 -3.894 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.928 -10.873 -5.600 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.187 -11.360 -4.564 1.00 0.00 N ATOM 0 H HIS A 63 1.277 -7.355 -2.585 1.00 0.00 H new ATOM 0 HA HIS A 63 0.869 -7.831 -5.473 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.882 -7.604 -3.073 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.521 -7.105 -4.626 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.316 -8.912 -6.218 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.033 -10.413 -3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.474 -11.462 -6.322 1.00 0.00 H new ATOM 942 N VAL A 64 1.242 -5.009 -4.023 1.00 0.00 N ATOM 943 CA VAL A 64 1.354 -3.575 -4.227 1.00 0.00 C ATOM 944 C VAL A 64 2.829 -3.171 -4.185 1.00 0.00 C ATOM 945 O VAL A 64 3.697 -4.003 -3.923 1.00 0.00 O ATOM 946 CB VAL A 64 0.501 -2.831 -3.198 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.837 -3.541 -2.979 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.256 -2.665 -1.877 1.00 0.00 C ATOM 0 H VAL A 64 1.640 -5.347 -3.147 1.00 0.00 H new ATOM 0 HA VAL A 64 0.969 -3.299 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 64 0.292 -1.836 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.424 -2.992 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.384 -3.584 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.657 -4.553 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.627 -2.133 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.509 -3.647 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.170 -2.097 -2.049 1.00 0.00 H new ATOM 958 N LYS A 65 3.069 -1.895 -4.446 1.00 0.00 N ATOM 959 CA LYS A 65 4.424 -1.371 -4.441 1.00 0.00 C ATOM 960 C LYS A 65 4.439 -0.014 -3.735 1.00 0.00 C ATOM 961 O LYS A 65 3.569 0.822 -3.971 1.00 0.00 O ATOM 962 CB LYS A 65 4.989 -1.331 -5.862 1.00 0.00 C ATOM 963 CG LYS A 65 4.264 -0.284 -6.711 1.00 0.00 C ATOM 964 CD LYS A 65 4.971 -0.080 -8.052 1.00 0.00 C ATOM 965 CE LYS A 65 6.061 0.988 -7.941 1.00 0.00 C ATOM 966 NZ LYS A 65 6.640 1.278 -9.271 1.00 0.00 N ATOM 0 H LYS A 65 2.347 -1.208 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 65 5.085 -2.031 -3.879 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.054 -1.102 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.889 -2.313 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.235 -0.599 -6.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.222 0.662 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.411 -1.021 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.244 0.214 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.643 1.899 -7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.844 0.648 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.378 2.005 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.057 0.410 -9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.893 1.623 -9.907 1.00 0.00 H new ATOM 980 N LEU A 66 5.438 0.163 -2.882 1.00 0.00 N ATOM 981 CA LEU A 66 5.577 1.404 -2.140 1.00 0.00 C ATOM 982 C LEU A 66 6.180 2.474 -3.052 1.00 0.00 C ATOM 983 O LEU A 66 7.170 2.223 -3.739 1.00 0.00 O ATOM 984 CB LEU A 66 6.374 1.173 -0.854 1.00 0.00 C ATOM 985 CG LEU A 66 5.550 0.886 0.403 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.443 0.837 1.645 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.412 1.898 0.555 1.00 0.00 C ATOM 0 H LEU A 66 6.159 -0.533 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 66 4.600 1.769 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.055 0.337 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.989 2.053 -0.668 1.00 0.00 H new ATOM 0 HG LEU A 66 5.094 -0.098 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.832 0.632 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.187 0.049 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.947 1.796 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.842 1.672 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.827 2.903 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.756 1.841 -0.314 1.00 0.00 H new ATOM 999 N LEU A 67 5.559 3.643 -3.031 1.00 0.00 N ATOM 1000 CA LEU A 67 6.021 4.752 -3.848 1.00 0.00 C ATOM 1001 C LEU A 67 7.074 5.547 -3.072 1.00 0.00 C ATOM 1002 O LEU A 67 7.452 6.645 -3.479 1.00 0.00 O ATOM 1003 CB LEU A 67 4.838 5.599 -4.322 1.00 0.00 C ATOM 1004 CG LEU A 67 3.697 4.836 -4.999 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.985 3.918 -4.003 1.00 0.00 C ATOM 1006 CD2 LEU A 67 2.727 5.799 -5.686 1.00 0.00 C ATOM 0 H LEU A 67 4.739 3.847 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 67 6.502 4.383 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.432 6.134 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.210 6.350 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 67 4.123 4.200 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.179 3.388 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.696 3.197 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.572 4.514 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.926 5.232 -6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.303 6.478 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.260 6.374 -6.443 1.00 0.00 H new ATOM 1018 N GLY A 68 7.518 4.961 -1.970 1.00 0.00 N ATOM 1019 CA GLY A 68 8.519 5.601 -1.134 1.00 0.00 C ATOM 1020 C GLY A 68 8.713 4.833 0.175 1.00 0.00 C ATOM 1021 O GLY A 68 8.358 5.323 1.246 1.00 0.00 O ATOM 0 H GLY A 68 7.203 4.050 -1.637 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.466 5.656 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.216 6.625 -0.917 1.00 0.00 H new ATOM 1025 N PRO A 69 9.292 3.609 0.043 1.00 0.00 N ATOM 1026 CA PRO A 69 9.537 2.768 1.202 1.00 0.00 C ATOM 1027 C PRO A 69 10.730 3.283 2.010 1.00 0.00 C ATOM 1028 O PRO A 69 11.695 2.553 2.232 1.00 0.00 O ATOM 1029 CB PRO A 69 9.760 1.375 0.637 1.00 0.00 C ATOM 1030 CG PRO A 69 10.091 1.569 -0.834 1.00 0.00 C ATOM 1031 CD PRO A 69 9.726 2.996 -1.209 1.00 0.00 C ATOM 0 HA PRO A 69 8.705 2.769 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.573 0.869 1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.870 0.757 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.150 1.386 -1.014 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.536 0.859 -1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.580 3.524 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.933 3.018 -1.957 1.00 0.00 H new ATOM 1039 N SER A 70 10.624 4.536 2.428 1.00 0.00 N ATOM 1040 CA SER A 70 11.682 5.156 3.207 1.00 0.00 C ATOM 1041 C SER A 70 11.345 6.625 3.470 1.00 0.00 C ATOM 1042 O SER A 70 11.939 7.520 2.870 1.00 0.00 O ATOM 1043 CB SER A 70 13.031 5.041 2.494 1.00 0.00 C ATOM 1044 OG SER A 70 14.085 4.712 3.395 1.00 0.00 O ATOM 0 H SER A 70 9.822 5.138 2.242 1.00 0.00 H new ATOM 0 HA SER A 70 11.759 4.631 4.159 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.967 4.279 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.260 5.984 1.997 1.00 0.00 H new ATOM 0 HG SER A 70 14.929 4.646 2.901 1.00 0.00 H new ATOM 1050 N SER A 71 10.393 6.829 4.369 1.00 0.00 N ATOM 1051 CA SER A 71 9.970 8.174 4.719 1.00 0.00 C ATOM 1052 C SER A 71 10.565 8.575 6.070 1.00 0.00 C ATOM 1053 O SER A 71 9.946 8.363 7.112 1.00 0.00 O ATOM 1054 CB SER A 71 8.444 8.279 4.759 1.00 0.00 C ATOM 1055 OG SER A 71 7.872 8.242 3.454 1.00 0.00 O ATOM 0 H SER A 71 9.903 6.085 4.865 1.00 0.00 H new ATOM 0 HA SER A 71 10.334 8.857 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.040 7.461 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.157 9.207 5.254 1.00 0.00 H new ATOM 0 HG SER A 71 6.897 8.310 3.522 1.00 0.00 H new ATOM 1061 N GLU A 72 11.758 9.146 6.010 1.00 0.00 N ATOM 1062 CA GLU A 72 12.444 9.578 7.216 1.00 0.00 C ATOM 1063 C GLU A 72 13.669 10.421 6.857 1.00 0.00 C ATOM 1064 O GLU A 72 13.949 11.426 7.509 1.00 0.00 O ATOM 1065 CB GLU A 72 12.836 8.380 8.082 1.00 0.00 C ATOM 1066 CG GLU A 72 11.979 8.315 9.348 1.00 0.00 C ATOM 1067 CD GLU A 72 12.416 7.156 10.246 1.00 0.00 C ATOM 1068 OE1 GLU A 72 12.948 6.173 9.686 1.00 0.00 O ATOM 1069 OE2 GLU A 72 12.207 7.279 11.473 1.00 0.00 O ATOM 0 H GLU A 72 12.268 9.320 5.144 1.00 0.00 H new ATOM 0 HA GLU A 72 11.761 10.196 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.717 7.459 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.889 8.453 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.060 9.254 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.930 8.194 9.076 1.00 0.00 H new ATOM 1076 N ARG A 73 14.368 9.980 5.821 1.00 0.00 N ATOM 1077 CA ARG A 73 15.557 10.681 5.368 1.00 0.00 C ATOM 1078 C ARG A 73 15.612 10.700 3.839 1.00 0.00 C ATOM 1079 O ARG A 73 15.887 11.737 3.237 1.00 0.00 O ATOM 1080 CB ARG A 73 16.826 10.019 5.908 1.00 0.00 C ATOM 1081 CG ARG A 73 16.780 9.908 7.434 1.00 0.00 C ATOM 1082 CD ARG A 73 17.746 8.833 7.935 1.00 0.00 C ATOM 1083 NE ARG A 73 18.020 9.031 9.376 1.00 0.00 N ATOM 1084 CZ ARG A 73 18.965 9.851 9.855 1.00 0.00 C ATOM 1085 NH1 ARG A 73 19.732 10.555 9.011 1.00 0.00 N ATOM 1086 NH2 ARG A 73 19.143 9.968 11.178 1.00 0.00 N ATOM 0 H ARG A 73 14.133 9.146 5.283 1.00 0.00 H new ATOM 0 HA ARG A 73 15.504 11.702 5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.937 9.027 5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 73 17.699 10.599 5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.037 10.869 7.880 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.766 9.669 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.319 7.844 7.770 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.677 8.877 7.370 1.00 0.00 H new ATOM 0 HE ARG A 73 17.454 8.511 10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.596 10.466 8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 73 20.451 11.179 9.376 1.00 0.00 H new ATOM 0 HH21 ARG A 73 18.559 9.433 11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 73 19.863 10.592 11.543 1.00 0.00 H new ATOM 1100 N ALA A 74 15.345 9.542 3.254 1.00 0.00 N ATOM 1101 CA ALA A 74 15.360 9.412 1.807 1.00 0.00 C ATOM 1102 C ALA A 74 14.260 10.291 1.209 1.00 0.00 C ATOM 1103 O ALA A 74 14.546 11.257 0.503 1.00 0.00 O ATOM 1104 CB ALA A 74 15.202 7.939 1.424 1.00 0.00 C ATOM 0 H ALA A 74 15.117 8.684 3.756 1.00 0.00 H new ATOM 0 HA ALA A 74 16.312 9.753 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.213 7.842 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.024 7.363 1.848 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.256 7.562 1.812 1.00 0.00 H new ATOM 1110 N SER A 75 13.023 9.925 1.514 1.00 0.00 N ATOM 1111 CA SER A 75 11.878 10.668 1.016 1.00 0.00 C ATOM 1112 C SER A 75 11.861 10.638 -0.514 1.00 0.00 C ATOM 1113 O SER A 75 12.872 10.332 -1.144 1.00 0.00 O ATOM 1114 CB SER A 75 11.899 12.113 1.518 1.00 0.00 C ATOM 1115 OG SER A 75 11.902 12.184 2.941 1.00 0.00 O ATOM 0 H SER A 75 12.789 9.123 2.100 1.00 0.00 H new ATOM 0 HA SER A 75 10.972 10.194 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.782 12.619 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.030 12.644 1.130 1.00 0.00 H new ATOM 0 HG SER A 75 11.917 13.123 3.222 1.00 0.00 H new ATOM 1121 N GLY A 76 10.700 10.960 -1.067 1.00 0.00 N ATOM 1122 CA GLY A 76 10.538 10.973 -2.511 1.00 0.00 C ATOM 1123 C GLY A 76 11.047 12.287 -3.107 1.00 0.00 C ATOM 1124 O GLY A 76 11.067 13.314 -2.430 1.00 0.00 O ATOM 0 H GLY A 76 9.864 11.214 -0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.081 10.136 -2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.486 10.838 -2.764 1.00 0.00 H new ATOM 1128 N PRO A 77 11.455 12.210 -4.402 1.00 0.00 N ATOM 1129 CA PRO A 77 11.963 13.380 -5.098 1.00 0.00 C ATOM 1130 C PRO A 77 10.824 14.329 -5.478 1.00 0.00 C ATOM 1131 O PRO A 77 9.660 13.931 -5.496 1.00 0.00 O ATOM 1132 CB PRO A 77 12.705 12.830 -6.305 1.00 0.00 C ATOM 1133 CG PRO A 77 12.195 11.410 -6.496 1.00 0.00 C ATOM 1134 CD PRO A 77 11.445 11.011 -5.235 1.00 0.00 C ATOM 0 HA PRO A 77 12.629 13.981 -4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 77 12.514 13.436 -7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.782 12.839 -6.139 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.539 11.354 -7.365 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.025 10.728 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.427 10.696 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 77 11.932 10.176 -4.732 1.00 0.00 H new ATOM 1142 N SER A 78 11.200 15.565 -5.772 1.00 0.00 N ATOM 1143 CA SER A 78 10.224 16.573 -6.150 1.00 0.00 C ATOM 1144 C SER A 78 9.220 16.782 -5.015 1.00 0.00 C ATOM 1145 O SER A 78 8.211 16.082 -4.938 1.00 0.00 O ATOM 1146 CB SER A 78 9.496 16.180 -7.437 1.00 0.00 C ATOM 1147 OG SER A 78 9.503 17.233 -8.397 1.00 0.00 O ATOM 0 H SER A 78 12.166 15.891 -5.756 1.00 0.00 H new ATOM 0 HA SER A 78 10.753 17.508 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.968 15.296 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.466 15.910 -7.203 1.00 0.00 H new ATOM 0 HG SER A 78 9.030 16.942 -9.205 1.00 0.00 H new ATOM 1153 N SER A 79 9.531 17.747 -4.163 1.00 0.00 N ATOM 1154 CA SER A 79 8.668 18.057 -3.035 1.00 0.00 C ATOM 1155 C SER A 79 7.529 18.975 -3.484 1.00 0.00 C ATOM 1156 O SER A 79 7.761 19.961 -4.183 1.00 0.00 O ATOM 1157 CB SER A 79 9.458 18.708 -1.899 1.00 0.00 C ATOM 1158 OG SER A 79 9.632 20.108 -2.103 1.00 0.00 O ATOM 0 H SER A 79 10.369 18.325 -4.231 1.00 0.00 H new ATOM 0 HA SER A 79 8.248 17.124 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.940 18.541 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.434 18.230 -1.816 1.00 0.00 H new ATOM 0 HG SER A 79 10.140 20.487 -1.355 1.00 0.00 H new ATOM 1164 N GLY A 80 6.324 18.618 -3.065 1.00 0.00 N ATOM 1165 CA GLY A 80 5.149 19.398 -3.415 1.00 0.00 C ATOM 1166 C GLY A 80 4.272 18.647 -4.419 1.00 0.00 C ATOM 1167 O GLY A 80 4.411 17.436 -4.586 1.00 0.00 O ATOM 0 H GLY A 80 6.136 17.799 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.573 19.618 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.456 20.354 -3.839 1.00 0.00 H new TER 1171 GLY A 80