USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 548 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 14 CYS SG : rot -62:sc= 0.771 USER MOD Set 1.2: A 15 SER OG : rot 123:sc= 0.0781 USER MOD Set 2.1: A 11 TYR OH : rot -8:sc= -0.0517 USER MOD Set 2.2: A 38 LYS NZ :NH3+ -153:sc= 1.55 (180deg=0.0063) USER MOD Set 3.1: A 10 SER OG : rot -98:sc= 1.05 USER MOD Set 3.2: A 34 GLN : amide:sc= -0.307 K(o=0.74,f=-2.1!) 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 9 THR OG1 : rot -10:sc= 0.99 USER MOD Single : A 12 MET CE :methyl -172:sc= -1.72 (180deg=-1.88) USER MOD Single : A 13 THR OG1 : rot 9:sc= 1.63 USER MOD Single : A 17 TYR OH : rot 93:sc= 0.00249 USER MOD Single : A 18 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.7) USER MOD Single : A 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0066) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 106:sc= 1.01 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00811 USER MOD Single : A 39 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.17) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -48:sc= 0.444 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.54) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 67 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.95) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00603) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 66:sc= 0.0156 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.605 -18.518 22.199 1.00 0.00 N ATOM 2 CA GLY A 1 7.224 -18.325 20.812 1.00 0.00 C ATOM 3 C GLY A 1 7.677 -16.985 20.267 1.00 0.00 C ATOM 4 O GLY A 1 8.833 -16.826 19.874 1.00 0.00 O ATOM 0 H1 GLY A 1 7.272 -19.448 22.524 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.640 -18.471 22.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.176 -17.773 22.784 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.652 -19.124 20.206 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.141 -18.403 20.722 1.00 0.00 H new ATOM 8 N SER A 2 6.764 -16.019 20.240 1.00 0.00 N ATOM 9 CA SER A 2 7.075 -14.688 19.734 1.00 0.00 C ATOM 10 C SER A 2 6.694 -13.617 20.752 1.00 0.00 C ATOM 11 O SER A 2 6.100 -13.913 21.788 1.00 0.00 O ATOM 12 CB SER A 2 6.342 -14.437 18.414 1.00 0.00 C ATOM 13 OG SER A 2 4.980 -14.115 18.641 1.00 0.00 O ATOM 0 H SER A 2 5.803 -16.134 20.563 1.00 0.00 H new ATOM 0 HA SER A 2 8.150 -14.634 19.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.826 -13.623 17.874 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.409 -15.323 17.783 1.00 0.00 H new ATOM 0 HG SER A 2 4.534 -13.957 17.783 1.00 0.00 H new ATOM 19 N SER A 3 7.042 -12.370 20.448 1.00 0.00 N ATOM 20 CA SER A 3 6.741 -11.255 21.337 1.00 0.00 C ATOM 21 C SER A 3 7.087 -9.924 20.676 1.00 0.00 C ATOM 22 O SER A 3 7.936 -9.862 19.788 1.00 0.00 O ATOM 23 CB SER A 3 7.511 -11.400 22.651 1.00 0.00 C ATOM 24 OG SER A 3 6.852 -10.722 23.706 1.00 0.00 O ATOM 0 H SER A 3 7.532 -12.107 19.593 1.00 0.00 H new ATOM 0 HA SER A 3 5.672 -11.269 21.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.614 -12.456 22.901 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.518 -11.001 22.532 1.00 0.00 H new ATOM 0 HG SER A 3 7.363 -10.831 24.535 1.00 0.00 H new ATOM 30 N GLY A 4 6.421 -8.861 21.115 1.00 0.00 N ATOM 31 CA GLY A 4 6.671 -7.545 20.556 1.00 0.00 C ATOM 32 C GLY A 4 5.407 -6.885 20.040 1.00 0.00 C ATOM 33 O GLY A 4 4.329 -7.478 20.077 1.00 0.00 O ATOM 0 H GLY A 4 5.712 -8.887 21.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.124 -6.910 21.317 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.391 -7.630 19.742 1.00 0.00 H new ATOM 37 N SER A 5 5.540 -5.653 19.558 1.00 0.00 N ATOM 38 CA SER A 5 4.399 -4.910 19.037 1.00 0.00 C ATOM 39 C SER A 5 4.463 -4.811 17.516 1.00 0.00 C ATOM 40 O SER A 5 5.435 -5.241 16.896 1.00 0.00 O ATOM 41 CB SER A 5 4.354 -3.508 19.649 1.00 0.00 C ATOM 42 OG SER A 5 3.034 -2.994 19.651 1.00 0.00 O ATOM 0 H SER A 5 6.426 -5.149 19.518 1.00 0.00 H new ATOM 0 HA SER A 5 3.491 -5.448 19.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.736 -3.541 20.669 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.006 -2.841 19.086 1.00 0.00 H new ATOM 0 HG SER A 5 3.032 -2.098 20.049 1.00 0.00 H new ATOM 48 N SER A 6 3.419 -4.242 16.922 1.00 0.00 N ATOM 49 CA SER A 6 3.354 -4.089 15.473 1.00 0.00 C ATOM 50 C SER A 6 3.820 -2.699 15.051 1.00 0.00 C ATOM 51 O SER A 6 3.560 -1.711 15.735 1.00 0.00 O ATOM 52 CB SER A 6 1.927 -4.333 14.977 1.00 0.00 C ATOM 53 OG SER A 6 1.003 -3.497 15.652 1.00 0.00 O ATOM 0 H SER A 6 2.607 -3.879 17.421 1.00 0.00 H new ATOM 0 HA SER A 6 4.019 -4.827 15.025 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.875 -4.147 13.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.658 -5.378 15.133 1.00 0.00 H new ATOM 0 HG SER A 6 0.099 -3.671 15.316 1.00 0.00 H new ATOM 59 N GLY A 7 4.513 -2.633 13.918 1.00 0.00 N ATOM 60 CA GLY A 7 5.006 -1.361 13.423 1.00 0.00 C ATOM 61 C GLY A 7 4.797 -1.199 11.931 1.00 0.00 C ATOM 62 O GLY A 7 3.736 -0.758 11.490 1.00 0.00 O ATOM 0 H GLY A 7 4.742 -3.438 13.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.501 -0.550 13.948 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.069 -1.274 13.649 1.00 0.00 H new ATOM 66 N ALA A 8 5.812 -1.555 11.151 1.00 0.00 N ATOM 67 CA ALA A 8 5.735 -1.447 9.699 1.00 0.00 C ATOM 68 C ALA A 8 4.623 -2.329 9.142 1.00 0.00 C ATOM 69 O ALA A 8 3.870 -2.948 9.894 1.00 0.00 O ATOM 70 CB ALA A 8 7.070 -1.817 9.071 1.00 0.00 C ATOM 0 H ALA A 8 6.698 -1.921 11.500 1.00 0.00 H new ATOM 0 HA ALA A 8 5.503 -0.412 9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.998 -1.732 7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.844 -1.142 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.326 -2.842 9.338 1.00 0.00 H new ATOM 76 N THR A 9 4.524 -2.382 7.817 1.00 0.00 N ATOM 77 CA THR A 9 3.503 -3.187 7.158 1.00 0.00 C ATOM 78 C THR A 9 3.869 -3.456 5.703 1.00 0.00 C ATOM 79 O THR A 9 4.235 -2.541 4.966 1.00 0.00 O ATOM 80 CB THR A 9 2.126 -2.500 7.211 1.00 0.00 C ATOM 81 OG1 THR A 9 1.679 -2.400 8.568 1.00 0.00 O ATOM 82 CG2 THR A 9 1.104 -3.272 6.391 1.00 0.00 C ATOM 0 H THR A 9 5.139 -1.877 7.179 1.00 0.00 H new ATOM 0 HA THR A 9 3.450 -4.133 7.697 1.00 0.00 H new ATOM 0 HB THR A 9 2.228 -1.500 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.262 -2.936 9.145 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.139 -2.768 6.444 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.432 -3.320 5.353 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.007 -4.282 6.788 1.00 0.00 H new ATOM 90 N SER A 10 3.767 -4.718 5.296 1.00 0.00 N ATOM 91 CA SER A 10 4.091 -5.108 3.929 1.00 0.00 C ATOM 92 C SER A 10 2.840 -5.116 3.056 1.00 0.00 C ATOM 93 O SER A 10 1.751 -5.465 3.515 1.00 0.00 O ATOM 94 CB SER A 10 4.748 -6.489 3.912 1.00 0.00 C ATOM 95 OG SER A 10 6.156 -6.386 4.026 1.00 0.00 O ATOM 0 H SER A 10 3.463 -5.487 5.893 1.00 0.00 H new ATOM 0 HA SER A 10 4.791 -4.376 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.357 -7.091 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.492 -7.005 2.987 1.00 0.00 H new ATOM 0 HG SER A 10 6.561 -6.441 3.135 1.00 0.00 H new ATOM 101 N TYR A 11 3.003 -4.730 1.795 1.00 0.00 N ATOM 102 CA TYR A 11 1.887 -4.690 0.858 1.00 0.00 C ATOM 103 C TYR A 11 2.177 -5.549 -0.370 1.00 0.00 C ATOM 104 O TYR A 11 3.291 -6.041 -0.548 1.00 0.00 O ATOM 105 CB TYR A 11 1.603 -3.249 0.431 1.00 0.00 C ATOM 106 CG TYR A 11 1.191 -2.349 1.574 1.00 0.00 C ATOM 107 CD1 TYR A 11 2.023 -2.160 2.670 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.031 -1.688 1.557 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.650 -1.340 3.717 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.412 -0.864 2.599 1.00 0.00 C ATOM 111 CZ TYR A 11 0.432 -0.694 3.676 1.00 0.00 C ATOM 112 OH TYR A 11 0.057 0.126 4.717 1.00 0.00 O ATOM 0 H TYR A 11 3.897 -4.441 1.399 1.00 0.00 H new ATOM 0 HA TYR A 11 1.008 -5.092 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.494 -2.837 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.815 -3.251 -0.322 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.978 -2.663 2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.694 -1.820 0.715 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.308 -1.205 4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.365 -0.356 2.570 1.00 0.00 H new ATOM 0 HH TYR A 11 0.700 0.038 5.451 1.00 0.00 H new ATOM 122 N MET A 12 1.165 -5.722 -1.215 1.00 0.00 N ATOM 123 CA MET A 12 1.311 -6.519 -2.427 1.00 0.00 C ATOM 124 C MET A 12 1.095 -5.661 -3.670 1.00 0.00 C ATOM 125 O MET A 12 0.052 -5.025 -3.825 1.00 0.00 O ATOM 126 CB MET A 12 0.320 -7.685 -2.419 1.00 0.00 C ATOM 127 CG MET A 12 0.309 -8.482 -3.713 1.00 0.00 C ATOM 128 SD MET A 12 1.563 -9.777 -3.743 1.00 0.00 S ATOM 129 CE MET A 12 1.957 -9.827 -5.489 1.00 0.00 C ATOM 0 H MET A 12 0.236 -5.321 -1.082 1.00 0.00 H new ATOM 0 HA MET A 12 2.326 -6.915 -2.452 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.564 -8.353 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.682 -7.298 -2.231 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.675 -8.931 -3.850 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.470 -7.806 -4.553 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.613 -10.674 -5.690 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.039 -9.934 -6.066 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.460 -8.903 -5.775 1.00 0.00 H new ATOM 139 N THR A 13 2.087 -5.649 -4.555 1.00 0.00 N ATOM 140 CA THR A 13 2.006 -4.869 -5.783 1.00 0.00 C ATOM 141 C THR A 13 1.081 -5.533 -6.796 1.00 0.00 C ATOM 142 O THR A 13 1.370 -6.621 -7.295 1.00 0.00 O ATOM 143 CB THR A 13 3.395 -4.679 -6.421 1.00 0.00 C ATOM 144 OG1 THR A 13 3.869 -5.925 -6.943 1.00 0.00 O ATOM 145 CG2 THR A 13 4.389 -4.140 -5.403 1.00 0.00 C ATOM 0 H THR A 13 2.956 -6.171 -4.444 1.00 0.00 H new ATOM 0 HA THR A 13 1.603 -3.893 -5.511 1.00 0.00 H new ATOM 0 HB THR A 13 3.302 -3.957 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.148 -6.588 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.363 -4.014 -5.877 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.040 -3.178 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.477 -4.842 -4.574 1.00 0.00 H new ATOM 153 N CYS A 14 -0.031 -4.871 -7.097 1.00 0.00 N ATOM 154 CA CYS A 14 -1.000 -5.398 -8.052 1.00 0.00 C ATOM 155 C CYS A 14 -0.745 -4.840 -9.449 1.00 0.00 C ATOM 156 O CYS A 14 -1.291 -5.335 -10.435 1.00 0.00 O ATOM 157 CB CYS A 14 -2.423 -5.060 -7.606 1.00 0.00 C ATOM 158 SG CYS A 14 -2.912 -3.351 -7.933 1.00 0.00 S ATOM 0 H CYS A 14 -0.284 -3.969 -6.694 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.886 -6.482 -8.087 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.119 -5.729 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.513 -5.254 -6.537 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.135 -2.544 -7.274 1.00 0.00 H new ATOM 164 N SER A 15 0.086 -3.806 -9.525 1.00 0.00 N ATOM 165 CA SER A 15 0.409 -3.176 -10.800 1.00 0.00 C ATOM 166 C SER A 15 1.894 -2.836 -10.877 1.00 0.00 C ATOM 167 O SER A 15 2.587 -2.800 -9.861 1.00 0.00 O ATOM 168 CB SER A 15 -0.427 -1.910 -10.994 1.00 0.00 C ATOM 169 OG SER A 15 -0.291 -1.035 -9.887 1.00 0.00 O ATOM 0 H SER A 15 0.548 -3.386 -8.718 1.00 0.00 H new ATOM 0 HA SER A 15 0.174 -3.883 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.115 -1.400 -11.905 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.475 -2.179 -11.123 1.00 0.00 H new ATOM 0 HG SER A 15 0.037 -0.165 -10.196 1.00 0.00 H new ATOM 175 N ALA A 16 2.375 -2.586 -12.091 1.00 0.00 N ATOM 176 CA ALA A 16 3.776 -2.247 -12.302 1.00 0.00 C ATOM 177 C ALA A 16 3.998 -0.742 -12.196 1.00 0.00 C ATOM 178 O ALA A 16 3.510 0.027 -13.024 1.00 0.00 O ATOM 179 CB ALA A 16 4.245 -2.757 -13.657 1.00 0.00 C ATOM 0 H ALA A 16 1.814 -2.612 -12.943 1.00 0.00 H new ATOM 0 HA ALA A 16 4.363 -2.731 -11.521 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.294 -2.496 -13.801 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.132 -3.840 -13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.646 -2.300 -14.445 1.00 0.00 H new ATOM 185 N TYR A 17 4.737 -0.328 -11.173 1.00 0.00 N ATOM 186 CA TYR A 17 5.021 1.086 -10.957 1.00 0.00 C ATOM 187 C TYR A 17 6.304 1.499 -11.672 1.00 0.00 C ATOM 188 O TYR A 17 7.188 0.676 -11.908 1.00 0.00 O ATOM 189 CB TYR A 17 5.140 1.381 -9.461 1.00 0.00 C ATOM 190 CG TYR A 17 5.757 2.728 -9.157 1.00 0.00 C ATOM 191 CD1 TYR A 17 4.970 3.869 -9.066 1.00 0.00 C ATOM 192 CD2 TYR A 17 7.126 2.859 -8.962 1.00 0.00 C ATOM 193 CE1 TYR A 17 5.528 5.102 -8.789 1.00 0.00 C ATOM 194 CE2 TYR A 17 7.693 4.087 -8.684 1.00 0.00 C ATOM 195 CZ TYR A 17 6.891 5.206 -8.598 1.00 0.00 C ATOM 196 OH TYR A 17 7.452 6.431 -8.322 1.00 0.00 O ATOM 0 H TYR A 17 5.151 -0.952 -10.480 1.00 0.00 H new ATOM 0 HA TYR A 17 4.194 1.664 -11.370 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.149 1.335 -9.010 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.740 0.601 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.903 3.791 -9.214 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.758 1.986 -9.029 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.902 5.979 -8.722 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.759 4.171 -8.535 1.00 0.00 H new ATOM 0 HH TYR A 17 7.511 6.552 -7.351 1.00 0.00 H new ATOM 206 N GLN A 18 6.397 2.780 -12.014 1.00 0.00 N ATOM 207 CA GLN A 18 7.571 3.304 -12.702 1.00 0.00 C ATOM 208 C GLN A 18 8.201 4.446 -11.911 1.00 0.00 C ATOM 209 O GLN A 18 7.548 5.448 -11.620 1.00 0.00 O ATOM 210 CB GLN A 18 7.194 3.785 -14.104 1.00 0.00 C ATOM 211 CG GLN A 18 8.379 3.889 -15.051 1.00 0.00 C ATOM 212 CD GLN A 18 9.273 5.073 -14.740 1.00 0.00 C ATOM 213 OE1 GLN A 18 8.807 6.109 -14.263 1.00 0.00 O ATOM 214 NE2 GLN A 18 10.565 4.928 -15.009 1.00 0.00 N ATOM 0 H GLN A 18 5.674 3.474 -11.826 1.00 0.00 H new ATOM 0 HA GLN A 18 8.301 2.499 -12.786 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.459 3.101 -14.528 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.714 4.761 -14.027 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.965 2.972 -14.995 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.015 3.973 -16.075 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.909 4.053 -15.404 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.214 5.692 -14.821 1.00 0.00 H new ATOM 223 N LYS A 19 9.475 4.289 -11.567 1.00 0.00 N ATOM 224 CA LYS A 19 10.195 5.306 -10.811 1.00 0.00 C ATOM 225 C LYS A 19 10.493 6.522 -11.682 1.00 0.00 C ATOM 226 O LYS A 19 10.959 6.388 -12.814 1.00 0.00 O ATOM 227 CB LYS A 19 11.499 4.731 -10.256 1.00 0.00 C ATOM 228 CG LYS A 19 12.416 4.161 -11.324 1.00 0.00 C ATOM 229 CD LYS A 19 13.373 5.214 -11.857 1.00 0.00 C ATOM 230 CE LYS A 19 14.668 5.245 -11.058 1.00 0.00 C ATOM 231 NZ LYS A 19 15.742 5.990 -11.772 1.00 0.00 N ATOM 0 H LYS A 19 10.030 3.466 -11.800 1.00 0.00 H new ATOM 0 HA LYS A 19 9.563 5.622 -9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.029 5.514 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.263 3.948 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.984 3.328 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.818 3.763 -12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.595 5.009 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.896 6.194 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.486 5.710 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.000 4.225 -10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.617 5.960 -11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.910 5.552 -12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.450 6.979 -11.904 1.00 0.00 H new ATOM 245 N VAL A 20 10.222 7.709 -11.148 1.00 0.00 N ATOM 246 CA VAL A 20 10.464 8.948 -11.876 1.00 0.00 C ATOM 247 C VAL A 20 11.876 9.467 -11.624 1.00 0.00 C ATOM 248 O VAL A 20 12.562 9.900 -12.550 1.00 0.00 O ATOM 249 CB VAL A 20 9.451 10.039 -11.480 1.00 0.00 C ATOM 250 CG1 VAL A 20 9.486 10.281 -9.979 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.728 11.325 -12.243 1.00 0.00 C ATOM 0 H VAL A 20 9.835 7.838 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 20 10.347 8.720 -12.935 1.00 0.00 H new ATOM 0 HB VAL A 20 8.451 9.695 -11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.764 11.055 -9.718 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.234 9.359 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.485 10.603 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.003 12.085 -11.951 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.734 11.676 -12.012 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.646 11.138 -13.314 1.00 0.00 H new ATOM 261 N GLN A 21 12.303 9.418 -10.367 1.00 0.00 N ATOM 262 CA GLN A 21 13.634 9.883 -9.994 1.00 0.00 C ATOM 263 C GLN A 21 14.472 8.740 -9.430 1.00 0.00 C ATOM 264 O GLN A 21 13.959 7.651 -9.169 1.00 0.00 O ATOM 265 CB GLN A 21 13.533 11.012 -8.967 1.00 0.00 C ATOM 266 CG GLN A 21 12.817 12.247 -9.489 1.00 0.00 C ATOM 267 CD GLN A 21 13.673 13.060 -10.440 1.00 0.00 C ATOM 268 OE1 GLN A 21 13.543 12.950 -11.660 1.00 0.00 O ATOM 269 NE2 GLN A 21 14.555 13.884 -9.886 1.00 0.00 N ATOM 0 H GLN A 21 11.747 9.061 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 21 14.125 10.260 -10.891 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.009 10.644 -8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 21 14.537 11.292 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.902 11.944 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.521 12.873 -8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.629 13.944 -8.870 1.00 0.00 H new ATOM 0 HE22 GLN A 21 15.158 14.457 -10.476 1.00 0.00 H new ATOM 278 N ASP A 22 15.762 8.995 -9.245 1.00 0.00 N ATOM 279 CA ASP A 22 16.672 7.988 -8.711 1.00 0.00 C ATOM 280 C ASP A 22 16.216 7.520 -7.332 1.00 0.00 C ATOM 281 O ASP A 22 16.399 6.359 -6.968 1.00 0.00 O ATOM 282 CB ASP A 22 18.094 8.545 -8.630 1.00 0.00 C ATOM 283 CG ASP A 22 18.513 9.249 -9.905 1.00 0.00 C ATOM 284 OD1 ASP A 22 19.041 8.570 -10.810 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.315 10.478 -9.998 1.00 0.00 O ATOM 0 H ASP A 22 16.202 9.891 -9.457 1.00 0.00 H new ATOM 0 HA ASP A 22 16.664 7.133 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.161 9.242 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.789 7.731 -8.423 1.00 0.00 H new ATOM 290 N SER A 23 15.621 8.432 -6.570 1.00 0.00 N ATOM 291 CA SER A 23 15.143 8.115 -5.230 1.00 0.00 C ATOM 292 C SER A 23 14.117 6.986 -5.272 1.00 0.00 C ATOM 293 O SER A 23 14.207 6.024 -4.511 1.00 0.00 O ATOM 294 CB SER A 23 14.529 9.354 -4.577 1.00 0.00 C ATOM 295 OG SER A 23 13.544 9.936 -5.414 1.00 0.00 O ATOM 0 H SER A 23 15.458 9.397 -6.858 1.00 0.00 H new ATOM 0 HA SER A 23 15.996 7.786 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.083 9.082 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.311 10.084 -4.368 1.00 0.00 H new ATOM 0 HG SER A 23 12.653 9.747 -5.052 1.00 0.00 H new ATOM 301 N GLU A 24 13.143 7.114 -6.167 1.00 0.00 N ATOM 302 CA GLU A 24 12.099 6.106 -6.309 1.00 0.00 C ATOM 303 C GLU A 24 12.635 4.862 -7.012 1.00 0.00 C ATOM 304 O GLU A 24 13.727 4.880 -7.580 1.00 0.00 O ATOM 305 CB GLU A 24 10.912 6.675 -7.089 1.00 0.00 C ATOM 306 CG GLU A 24 10.216 7.827 -6.384 1.00 0.00 C ATOM 307 CD GLU A 24 10.845 9.170 -6.699 1.00 0.00 C ATOM 308 OE1 GLU A 24 11.184 9.405 -7.878 1.00 0.00 O ATOM 309 OE2 GLU A 24 10.999 9.986 -5.767 1.00 0.00 O ATOM 0 H GLU A 24 13.055 7.905 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 24 11.766 5.822 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.259 7.014 -8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.189 5.879 -7.266 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.166 7.845 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.245 7.660 -5.307 1.00 0.00 H new ATOM 316 N ILE A 25 11.859 3.785 -6.968 1.00 0.00 N ATOM 317 CA ILE A 25 12.256 2.533 -7.601 1.00 0.00 C ATOM 318 C ILE A 25 11.063 1.848 -8.260 1.00 0.00 C ATOM 319 O ILE A 25 9.964 1.823 -7.705 1.00 0.00 O ATOM 320 CB ILE A 25 12.891 1.565 -6.585 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.792 0.124 -7.090 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.218 1.704 -5.228 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.468 -0.536 -6.777 1.00 0.00 C ATOM 0 H ILE A 25 10.953 3.754 -6.501 1.00 0.00 H new ATOM 0 HA ILE A 25 12.995 2.785 -8.362 1.00 0.00 H new ATOM 0 HB ILE A 25 13.945 1.819 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.948 0.114 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.596 -0.464 -6.647 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.678 1.013 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.336 2.725 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.157 1.473 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.469 -1.555 -7.164 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.319 -0.558 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.661 0.029 -7.243 1.00 0.00 H new ATOM 335 N SER A 26 11.288 1.293 -9.446 1.00 0.00 N ATOM 336 CA SER A 26 10.231 0.609 -10.183 1.00 0.00 C ATOM 337 C SER A 26 10.205 -0.877 -9.841 1.00 0.00 C ATOM 338 O SER A 26 11.243 -1.539 -9.819 1.00 0.00 O ATOM 339 CB SER A 26 10.427 0.795 -11.689 1.00 0.00 C ATOM 340 OG SER A 26 11.292 -0.196 -12.216 1.00 0.00 O ATOM 0 H SER A 26 12.192 1.303 -9.918 1.00 0.00 H new ATOM 0 HA SER A 26 9.277 1.048 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.462 0.746 -12.193 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.839 1.785 -11.886 1.00 0.00 H new ATOM 0 HG SER A 26 11.400 -0.057 -13.180 1.00 0.00 H new ATOM 346 N PHE A 27 9.010 -1.396 -9.576 1.00 0.00 N ATOM 347 CA PHE A 27 8.848 -2.804 -9.234 1.00 0.00 C ATOM 348 C PHE A 27 7.788 -3.459 -10.116 1.00 0.00 C ATOM 349 O PHE A 27 6.795 -2.841 -10.499 1.00 0.00 O ATOM 350 CB PHE A 27 8.463 -2.952 -7.760 1.00 0.00 C ATOM 351 CG PHE A 27 7.435 -1.956 -7.306 1.00 0.00 C ATOM 352 CD1 PHE A 27 6.099 -2.121 -7.634 1.00 0.00 C ATOM 353 CD2 PHE A 27 7.804 -0.854 -6.552 1.00 0.00 C ATOM 354 CE1 PHE A 27 5.150 -1.207 -7.218 1.00 0.00 C ATOM 355 CE2 PHE A 27 6.860 0.063 -6.132 1.00 0.00 C ATOM 356 CZ PHE A 27 5.531 -0.113 -6.466 1.00 0.00 C ATOM 0 H PHE A 27 8.141 -0.863 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 27 9.800 -3.306 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.081 -3.959 -7.592 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.357 -2.844 -7.147 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.796 -2.975 -8.222 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.842 -0.710 -6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.112 -1.348 -7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.161 0.917 -5.543 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.792 0.603 -6.140 1.00 0.00 H new ATOM 366 N PRO A 28 8.004 -4.741 -10.446 1.00 0.00 N ATOM 367 CA PRO A 28 7.080 -5.508 -11.286 1.00 0.00 C ATOM 368 C PRO A 28 5.765 -5.811 -10.575 1.00 0.00 C ATOM 369 O PRO A 28 5.643 -5.614 -9.367 1.00 0.00 O ATOM 370 CB PRO A 28 7.846 -6.803 -11.566 1.00 0.00 C ATOM 371 CG PRO A 28 8.788 -6.941 -10.420 1.00 0.00 C ATOM 372 CD PRO A 28 9.167 -5.540 -10.025 1.00 0.00 C ATOM 0 HA PRO A 28 6.798 -4.960 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.171 -7.657 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.381 -6.749 -12.514 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.318 -7.467 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.668 -7.518 -10.705 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.344 -5.459 -8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.080 -5.215 -10.524 1.00 0.00 H new ATOM 380 N ALA A 29 4.784 -6.290 -11.333 1.00 0.00 N ATOM 381 CA ALA A 29 3.480 -6.622 -10.775 1.00 0.00 C ATOM 382 C ALA A 29 3.453 -8.056 -10.257 1.00 0.00 C ATOM 383 O ALA A 29 3.310 -9.003 -11.030 1.00 0.00 O ATOM 384 CB ALA A 29 2.391 -6.415 -11.817 1.00 0.00 C ATOM 0 H ALA A 29 4.868 -6.457 -12.336 1.00 0.00 H new ATOM 0 HA ALA A 29 3.293 -5.956 -9.933 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.422 -6.667 -11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.386 -5.373 -12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.583 -7.057 -12.677 1.00 0.00 H new ATOM 390 N GLY A 30 3.591 -8.209 -8.944 1.00 0.00 N ATOM 391 CA GLY A 30 3.581 -9.531 -8.346 1.00 0.00 C ATOM 392 C GLY A 30 4.688 -9.716 -7.327 1.00 0.00 C ATOM 393 O GLY A 30 5.220 -10.815 -7.169 1.00 0.00 O ATOM 0 H GLY A 30 3.710 -7.441 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.617 -9.702 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.684 -10.281 -9.130 1.00 0.00 H new ATOM 397 N VAL A 31 5.038 -8.637 -6.634 1.00 0.00 N ATOM 398 CA VAL A 31 6.090 -8.684 -5.625 1.00 0.00 C ATOM 399 C VAL A 31 5.646 -8.002 -4.336 1.00 0.00 C ATOM 400 O VAL A 31 4.843 -7.070 -4.361 1.00 0.00 O ATOM 401 CB VAL A 31 7.382 -8.013 -6.129 1.00 0.00 C ATOM 402 CG1 VAL A 31 8.032 -8.856 -7.215 1.00 0.00 C ATOM 403 CG2 VAL A 31 7.089 -6.609 -6.636 1.00 0.00 C ATOM 0 H VAL A 31 4.608 -7.720 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 31 6.290 -9.737 -5.426 1.00 0.00 H new ATOM 0 HB VAL A 31 8.080 -7.936 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.943 -8.367 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.277 -9.839 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.342 -8.967 -8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.012 -6.149 -6.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.373 -6.660 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.671 -6.010 -5.827 1.00 0.00 H new ATOM 413 N GLU A 32 6.175 -8.473 -3.211 1.00 0.00 N ATOM 414 CA GLU A 32 5.832 -7.908 -1.911 1.00 0.00 C ATOM 415 C GLU A 32 6.823 -6.816 -1.514 1.00 0.00 C ATOM 416 O GLU A 32 8.010 -6.896 -1.828 1.00 0.00 O ATOM 417 CB GLU A 32 5.809 -9.003 -0.844 1.00 0.00 C ATOM 418 CG GLU A 32 5.803 -8.468 0.578 1.00 0.00 C ATOM 419 CD GLU A 32 7.193 -8.125 1.078 1.00 0.00 C ATOM 420 OE1 GLU A 32 8.086 -8.993 0.989 1.00 0.00 O ATOM 421 OE2 GLU A 32 7.388 -6.989 1.558 1.00 0.00 O ATOM 0 H GLU A 32 6.842 -9.244 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 32 4.839 -7.464 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.926 -9.625 -0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.679 -9.647 -0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.174 -7.579 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.356 -9.210 1.240 1.00 0.00 H new ATOM 428 N VAL A 33 6.324 -5.796 -0.823 1.00 0.00 N ATOM 429 CA VAL A 33 7.164 -4.689 -0.382 1.00 0.00 C ATOM 430 C VAL A 33 6.875 -4.324 1.070 1.00 0.00 C ATOM 431 O VAL A 33 5.969 -4.880 1.691 1.00 0.00 O ATOM 432 CB VAL A 33 6.957 -3.443 -1.263 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.398 -3.720 -2.692 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.504 -2.996 -1.222 1.00 0.00 C ATOM 0 H VAL A 33 5.343 -5.713 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 33 8.198 -5.021 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 33 7.573 -2.635 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.244 -2.828 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.455 -3.988 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.812 -4.543 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.377 -2.114 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.866 -3.799 -1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.227 -2.754 -0.196 1.00 0.00 H new ATOM 444 N GLN A 34 7.651 -3.387 1.605 1.00 0.00 N ATOM 445 CA GLN A 34 7.478 -2.948 2.984 1.00 0.00 C ATOM 446 C GLN A 34 7.345 -1.431 3.061 1.00 0.00 C ATOM 447 O GLN A 34 8.273 -0.698 2.718 1.00 0.00 O ATOM 448 CB GLN A 34 8.657 -3.413 3.841 1.00 0.00 C ATOM 449 CG GLN A 34 8.406 -3.296 5.336 1.00 0.00 C ATOM 450 CD GLN A 34 7.745 -4.532 5.915 1.00 0.00 C ATOM 451 OE1 GLN A 34 6.553 -4.526 6.222 1.00 0.00 O ATOM 452 NE2 GLN A 34 8.519 -5.601 6.066 1.00 0.00 N ATOM 0 H GLN A 34 8.405 -2.917 1.104 1.00 0.00 H new ATOM 0 HA GLN A 34 6.560 -3.394 3.368 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.884 -4.451 3.599 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.538 -2.826 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.353 -3.122 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.776 -2.428 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.502 -5.561 5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.130 -6.462 6.450 1.00 0.00 H new ATOM 461 N VAL A 35 6.185 -0.965 3.513 1.00 0.00 N ATOM 462 CA VAL A 35 5.931 0.465 3.635 1.00 0.00 C ATOM 463 C VAL A 35 6.636 1.046 4.855 1.00 0.00 C ATOM 464 O VAL A 35 6.172 0.891 5.986 1.00 0.00 O ATOM 465 CB VAL A 35 4.423 0.761 3.737 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.189 2.164 4.277 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.753 0.583 2.383 1.00 0.00 C ATOM 0 H VAL A 35 5.406 -1.558 3.801 1.00 0.00 H new ATOM 0 HA VAL A 35 6.325 0.934 2.734 1.00 0.00 H new ATOM 0 HB VAL A 35 3.977 0.051 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.118 2.355 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.634 2.251 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.647 2.892 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.688 0.796 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.200 1.268 1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.890 -0.443 2.041 1.00 0.00 H new ATOM 477 N LEU A 36 7.759 1.716 4.620 1.00 0.00 N ATOM 478 CA LEU A 36 8.528 2.322 5.701 1.00 0.00 C ATOM 479 C LEU A 36 7.780 3.506 6.306 1.00 0.00 C ATOM 480 O LEU A 36 7.410 3.483 7.479 1.00 0.00 O ATOM 481 CB LEU A 36 9.895 2.778 5.187 1.00 0.00 C ATOM 482 CG LEU A 36 10.805 1.680 4.636 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.094 2.277 4.092 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.107 0.647 5.712 1.00 0.00 C ATOM 0 H LEU A 36 8.157 1.853 3.691 1.00 0.00 H new ATOM 0 HA LEU A 36 8.670 1.570 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.737 3.519 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.418 3.281 6.001 1.00 0.00 H new ATOM 0 HG LEU A 36 10.285 1.182 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.729 1.480 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.861 2.978 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.618 2.802 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.756 -0.127 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.606 1.131 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.176 0.196 6.055 1.00 0.00 H new ATOM 496 N GLU A 37 7.559 4.536 5.496 1.00 0.00 N ATOM 497 CA GLU A 37 6.853 5.728 5.952 1.00 0.00 C ATOM 498 C GLU A 37 5.677 6.048 5.034 1.00 0.00 C ATOM 499 O GLU A 37 5.691 5.717 3.848 1.00 0.00 O ATOM 500 CB GLU A 37 7.807 6.922 6.012 1.00 0.00 C ATOM 501 CG GLU A 37 7.393 7.982 7.018 1.00 0.00 C ATOM 502 CD GLU A 37 7.940 7.714 8.407 1.00 0.00 C ATOM 503 OE1 GLU A 37 9.149 7.424 8.523 1.00 0.00 O ATOM 504 OE2 GLU A 37 7.158 7.795 9.378 1.00 0.00 O ATOM 0 H GLU A 37 7.858 4.569 4.521 1.00 0.00 H new ATOM 0 HA GLU A 37 6.468 5.530 6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.806 6.566 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.870 7.376 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.741 8.957 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.305 8.029 7.063 1.00 0.00 H new ATOM 511 N LYS A 38 4.658 6.694 5.591 1.00 0.00 N ATOM 512 CA LYS A 38 3.473 7.061 4.824 1.00 0.00 C ATOM 513 C LYS A 38 3.261 8.572 4.840 1.00 0.00 C ATOM 514 O LYS A 38 3.282 9.198 5.899 1.00 0.00 O ATOM 515 CB LYS A 38 2.237 6.356 5.388 1.00 0.00 C ATOM 516 CG LYS A 38 2.125 4.900 4.971 1.00 0.00 C ATOM 517 CD LYS A 38 0.853 4.263 5.504 1.00 0.00 C ATOM 518 CE LYS A 38 0.562 2.937 4.818 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.891 2.613 4.830 1.00 0.00 N ATOM 0 H LYS A 38 4.629 6.974 6.571 1.00 0.00 H new ATOM 0 HA LYS A 38 3.626 6.744 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.261 6.413 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.344 6.889 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.140 4.830 3.883 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.990 4.348 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.947 4.105 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.014 4.943 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.917 2.975 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.116 2.141 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.017 1.581 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.322 2.984 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.350 3.047 4.004 1.00 0.00 H new ATOM 533 N GLN A 39 3.055 9.148 3.660 1.00 0.00 N ATOM 534 CA GLN A 39 2.839 10.585 3.540 1.00 0.00 C ATOM 535 C GLN A 39 1.362 10.896 3.319 1.00 0.00 C ATOM 536 O GLN A 39 0.720 10.313 2.447 1.00 0.00 O ATOM 537 CB GLN A 39 3.670 11.153 2.389 1.00 0.00 C ATOM 538 CG GLN A 39 5.163 11.181 2.672 1.00 0.00 C ATOM 539 CD GLN A 39 5.959 11.808 1.544 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.237 11.164 0.532 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.331 13.071 1.713 1.00 0.00 N ATOM 0 H GLN A 39 3.033 8.642 2.774 1.00 0.00 H new ATOM 0 HA GLN A 39 3.155 11.054 4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.490 10.558 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.331 12.166 2.172 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.344 11.737 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.516 10.164 2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.079 13.567 2.568 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.869 13.546 0.988 1.00 0.00 H new ATOM 550 N GLU A 40 0.831 11.818 4.116 1.00 0.00 N ATOM 551 CA GLU A 40 -0.571 12.205 4.007 1.00 0.00 C ATOM 552 C GLU A 40 -0.976 12.378 2.546 1.00 0.00 C ATOM 553 O GLU A 40 -2.095 12.044 2.158 1.00 0.00 O ATOM 554 CB GLU A 40 -0.826 13.504 4.775 1.00 0.00 C ATOM 555 CG GLU A 40 -2.292 13.746 5.093 1.00 0.00 C ATOM 556 CD GLU A 40 -2.840 12.760 6.106 1.00 0.00 C ATOM 557 OE1 GLU A 40 -2.195 12.572 7.159 1.00 0.00 O ATOM 558 OE2 GLU A 40 -3.913 12.176 5.846 1.00 0.00 O ATOM 0 H GLU A 40 1.350 12.310 4.843 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.175 11.409 4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.260 13.483 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.447 14.342 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.414 14.759 5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.875 13.679 4.174 1.00 0.00 H new ATOM 565 N SER A 41 -0.057 12.902 1.742 1.00 0.00 N ATOM 566 CA SER A 41 -0.319 13.124 0.324 1.00 0.00 C ATOM 567 C SER A 41 -0.929 11.881 -0.316 1.00 0.00 C ATOM 568 O SER A 41 -2.006 11.939 -0.907 1.00 0.00 O ATOM 569 CB SER A 41 0.974 13.503 -0.401 1.00 0.00 C ATOM 570 OG SER A 41 1.434 14.778 0.011 1.00 0.00 O ATOM 0 H SER A 41 0.875 13.181 2.047 1.00 0.00 H new ATOM 0 HA SER A 41 -1.031 13.944 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.740 12.754 -0.200 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.804 13.505 -1.478 1.00 0.00 H new ATOM 0 HG SER A 41 2.262 14.997 -0.465 1.00 0.00 H new ATOM 576 N GLY A 42 -0.230 10.756 -0.194 1.00 0.00 N ATOM 577 CA GLY A 42 -0.718 9.514 -0.766 1.00 0.00 C ATOM 578 C GLY A 42 0.404 8.553 -1.106 1.00 0.00 C ATOM 579 O GLY A 42 0.204 7.339 -1.129 1.00 0.00 O ATOM 0 H GLY A 42 0.665 10.683 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.400 9.037 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.291 9.733 -1.667 1.00 0.00 H new ATOM 583 N TRP A 43 1.586 9.097 -1.373 1.00 0.00 N ATOM 584 CA TRP A 43 2.743 8.279 -1.716 1.00 0.00 C ATOM 585 C TRP A 43 3.418 7.737 -0.461 1.00 0.00 C ATOM 586 O TRP A 43 3.674 8.480 0.487 1.00 0.00 O ATOM 587 CB TRP A 43 3.745 9.093 -2.537 1.00 0.00 C ATOM 588 CG TRP A 43 3.213 9.515 -3.874 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.163 10.356 -4.110 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.705 9.114 -5.157 1.00 0.00 C ATOM 591 NE1 TRP A 43 1.973 10.502 -5.463 1.00 0.00 N ATOM 592 CE2 TRP A 43 2.906 9.750 -6.127 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.743 8.280 -5.581 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.115 9.577 -7.493 1.00 0.00 C ATOM 595 CZ3 TRP A 43 4.949 8.109 -6.937 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.138 8.756 -7.880 1.00 0.00 C ATOM 0 H TRP A 43 1.768 10.101 -1.359 1.00 0.00 H new ATOM 0 HA TRP A 43 2.395 7.436 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.032 9.980 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.649 8.502 -2.684 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.569 10.836 -3.346 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.254 11.077 -5.902 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.373 7.778 -4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.491 10.074 -8.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.748 7.466 -7.276 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.325 8.603 -8.933 1.00 0.00 H new ATOM 607 N TRP A 44 3.704 6.440 -0.461 1.00 0.00 N ATOM 608 CA TRP A 44 4.349 5.799 0.679 1.00 0.00 C ATOM 609 C TRP A 44 5.718 5.250 0.292 1.00 0.00 C ATOM 610 O TRP A 44 5.887 4.684 -0.789 1.00 0.00 O ATOM 611 CB TRP A 44 3.469 4.673 1.223 1.00 0.00 C ATOM 612 CG TRP A 44 2.048 5.088 1.454 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.591 6.354 1.688 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.898 4.235 1.474 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.227 6.339 1.852 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.222 5.051 1.724 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.706 2.861 1.302 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.513 4.537 1.808 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.576 2.353 1.386 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.672 3.189 1.636 1.00 0.00 C ATOM 0 H TRP A 44 3.499 5.812 -1.238 1.00 0.00 H new ATOM 0 HA TRP A 44 4.486 6.550 1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.487 3.838 0.523 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.892 4.312 2.161 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.211 7.237 1.737 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.357 7.154 2.039 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.544 2.209 1.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.359 5.180 2.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.736 1.293 1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.662 2.761 1.694 1.00 0.00 H new ATOM 631 N TYR A 45 6.692 5.420 1.179 1.00 0.00 N ATOM 632 CA TYR A 45 8.046 4.943 0.928 1.00 0.00 C ATOM 633 C TYR A 45 8.129 3.428 1.092 1.00 0.00 C ATOM 634 O TYR A 45 8.096 2.910 2.208 1.00 0.00 O ATOM 635 CB TYR A 45 9.034 5.624 1.878 1.00 0.00 C ATOM 636 CG TYR A 45 10.470 5.555 1.409 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.823 5.958 0.127 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.473 5.087 2.248 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.133 5.896 -0.305 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.786 5.023 1.825 1.00 0.00 C ATOM 641 CZ TYR A 45 13.111 5.428 0.547 1.00 0.00 C ATOM 642 OH TYR A 45 14.418 5.365 0.121 1.00 0.00 O ATOM 0 H TYR A 45 6.569 5.885 2.079 1.00 0.00 H new ATOM 0 HA TYR A 45 8.308 5.195 -0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.749 6.669 1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.959 5.159 2.861 1.00 0.00 H new ATOM 0 HD1 TYR A 45 10.060 6.326 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.222 4.768 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.390 6.212 -1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.554 4.658 2.491 1.00 0.00 H new ATOM 0 HH TYR A 45 14.455 4.936 -0.759 1.00 0.00 H new ATOM 652 N VAL A 46 8.238 2.724 -0.030 1.00 0.00 N ATOM 653 CA VAL A 46 8.328 1.269 -0.013 1.00 0.00 C ATOM 654 C VAL A 46 9.776 0.806 -0.131 1.00 0.00 C ATOM 655 O VAL A 46 10.674 1.606 -0.392 1.00 0.00 O ATOM 656 CB VAL A 46 7.506 0.642 -1.155 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.047 0.504 -0.749 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.639 1.472 -2.424 1.00 0.00 C ATOM 0 H VAL A 46 8.266 3.138 -0.962 1.00 0.00 H new ATOM 0 HA VAL A 46 7.920 0.938 0.942 1.00 0.00 H new ATOM 0 HB VAL A 46 7.898 -0.355 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.482 0.059 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.973 -0.134 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.639 1.488 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.052 1.015 -3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.274 2.482 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.686 1.514 -2.723 1.00 0.00 H new ATOM 668 N ARG A 47 9.995 -0.491 0.063 1.00 0.00 N ATOM 669 CA ARG A 47 11.334 -1.060 -0.021 1.00 0.00 C ATOM 670 C ARG A 47 11.325 -2.353 -0.832 1.00 0.00 C ATOM 671 O ARG A 47 10.630 -3.309 -0.488 1.00 0.00 O ATOM 672 CB ARG A 47 11.886 -1.328 1.380 1.00 0.00 C ATOM 673 CG ARG A 47 13.260 -1.979 1.380 1.00 0.00 C ATOM 674 CD ARG A 47 13.782 -2.178 2.794 1.00 0.00 C ATOM 675 NE ARG A 47 15.217 -2.449 2.814 1.00 0.00 N ATOM 676 CZ ARG A 47 15.857 -2.942 3.868 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.193 -3.217 4.982 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.164 -3.162 3.809 1.00 0.00 N ATOM 0 H ARG A 47 9.262 -1.167 0.279 1.00 0.00 H new ATOM 0 HA ARG A 47 11.977 -0.339 -0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.940 -0.386 1.926 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.189 -1.970 1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.208 -2.942 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.958 -1.359 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.573 -1.287 3.386 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.250 -3.005 3.264 1.00 0.00 H new ATOM 0 HE ARG A 47 15.757 -2.249 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.188 -3.050 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.687 -3.596 5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.678 -2.952 2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.655 -3.541 4.619 1.00 0.00 H new ATOM 692 N PHE A 48 12.102 -2.374 -1.910 1.00 0.00 N ATOM 693 CA PHE A 48 12.183 -3.548 -2.771 1.00 0.00 C ATOM 694 C PHE A 48 13.607 -4.095 -2.813 1.00 0.00 C ATOM 695 O PHE A 48 14.421 -3.673 -3.634 1.00 0.00 O ATOM 696 CB PHE A 48 11.715 -3.202 -4.186 1.00 0.00 C ATOM 697 CG PHE A 48 11.654 -4.389 -5.104 1.00 0.00 C ATOM 698 CD1 PHE A 48 11.031 -5.561 -4.704 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.219 -4.334 -6.368 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.974 -6.655 -5.546 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.165 -5.425 -7.216 1.00 0.00 C ATOM 702 CZ PHE A 48 11.541 -6.586 -6.804 1.00 0.00 C ATOM 0 H PHE A 48 12.684 -1.591 -2.208 1.00 0.00 H new ATOM 0 HA PHE A 48 11.530 -4.317 -2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.728 -2.744 -4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.389 -2.458 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.585 -5.620 -3.722 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.708 -3.428 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.487 -7.563 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.610 -5.369 -8.199 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.496 -7.439 -7.465 1.00 0.00 H new ATOM 712 N GLY A 49 13.900 -5.036 -1.921 1.00 0.00 N ATOM 713 CA GLY A 49 15.226 -5.625 -1.873 1.00 0.00 C ATOM 714 C GLY A 49 16.264 -4.669 -1.321 1.00 0.00 C ATOM 715 O GLY A 49 16.101 -4.128 -0.228 1.00 0.00 O ATOM 0 H GLY A 49 13.243 -5.401 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.199 -6.523 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.519 -5.935 -2.876 1.00 0.00 H new ATOM 719 N GLU A 50 17.337 -4.461 -2.079 1.00 0.00 N ATOM 720 CA GLU A 50 18.408 -3.566 -1.657 1.00 0.00 C ATOM 721 C GLU A 50 18.153 -2.144 -2.150 1.00 0.00 C ATOM 722 O GLU A 50 19.090 -1.392 -2.421 1.00 0.00 O ATOM 723 CB GLU A 50 19.756 -4.065 -2.180 1.00 0.00 C ATOM 724 CG GLU A 50 20.928 -3.705 -1.283 1.00 0.00 C ATOM 725 CD GLU A 50 20.653 -3.995 0.180 1.00 0.00 C ATOM 726 OE1 GLU A 50 20.104 -3.109 0.868 1.00 0.00 O ATOM 727 OE2 GLU A 50 20.987 -5.108 0.637 1.00 0.00 O ATOM 0 H GLU A 50 17.487 -4.900 -2.987 1.00 0.00 H new ATOM 0 HA GLU A 50 18.431 -3.556 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.714 -5.148 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.928 -3.649 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 50 21.809 -4.263 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 21.161 -2.647 -1.402 1.00 0.00 H new ATOM 734 N LEU A 51 16.880 -1.782 -2.263 1.00 0.00 N ATOM 735 CA LEU A 51 16.501 -0.451 -2.723 1.00 0.00 C ATOM 736 C LEU A 51 15.193 -0.004 -2.078 1.00 0.00 C ATOM 737 O LEU A 51 14.384 -0.830 -1.657 1.00 0.00 O ATOM 738 CB LEU A 51 16.363 -0.437 -4.247 1.00 0.00 C ATOM 739 CG LEU A 51 17.577 -0.927 -5.036 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.200 -1.198 -6.483 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.708 0.089 -4.959 1.00 0.00 C ATOM 0 H LEU A 51 16.093 -2.392 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 51 17.286 0.246 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.505 -1.052 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.137 0.582 -4.562 1.00 0.00 H new ATOM 0 HG LEU A 51 17.922 -1.861 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.077 -1.546 -7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.423 -1.962 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.829 -0.281 -6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.564 -0.276 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.373 1.038 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.997 0.233 -3.918 1.00 0.00 H new ATOM 753 N GLU A 52 14.992 1.308 -2.007 1.00 0.00 N ATOM 754 CA GLU A 52 13.781 1.864 -1.415 1.00 0.00 C ATOM 755 C GLU A 52 13.313 3.094 -2.187 1.00 0.00 C ATOM 756 O GLU A 52 14.076 4.035 -2.400 1.00 0.00 O ATOM 757 CB GLU A 52 14.026 2.231 0.050 1.00 0.00 C ATOM 758 CG GLU A 52 14.475 1.058 0.905 1.00 0.00 C ATOM 759 CD GLU A 52 15.371 1.481 2.052 1.00 0.00 C ATOM 760 OE1 GLU A 52 15.211 2.618 2.543 1.00 0.00 O ATOM 761 OE2 GLU A 52 16.234 0.674 2.459 1.00 0.00 O ATOM 0 H GLU A 52 15.652 2.005 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 52 13.000 1.105 -1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.782 3.015 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.110 2.646 0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.598 0.547 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.006 0.340 0.280 1.00 0.00 H new ATOM 768 N GLY A 53 12.051 3.078 -2.605 1.00 0.00 N ATOM 769 CA GLY A 53 11.502 4.196 -3.350 1.00 0.00 C ATOM 770 C GLY A 53 10.105 4.568 -2.892 1.00 0.00 C ATOM 771 O GLY A 53 9.499 3.858 -2.089 1.00 0.00 O ATOM 0 H GLY A 53 11.399 2.311 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.159 5.059 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.479 3.946 -4.411 1.00 0.00 H new ATOM 775 N TRP A 54 9.595 5.683 -3.402 1.00 0.00 N ATOM 776 CA TRP A 54 8.261 6.149 -3.038 1.00 0.00 C ATOM 777 C TRP A 54 7.233 5.722 -4.081 1.00 0.00 C ATOM 778 O TRP A 54 7.284 6.158 -5.230 1.00 0.00 O ATOM 779 CB TRP A 54 8.253 7.671 -2.889 1.00 0.00 C ATOM 780 CG TRP A 54 9.056 8.157 -1.720 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.380 8.490 -1.717 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.585 8.363 -0.384 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.761 8.890 -0.459 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.678 8.822 0.377 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.346 8.207 0.244 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.567 9.124 1.731 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.238 8.506 1.588 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.343 8.962 2.320 1.00 0.00 C ATOM 0 H TRP A 54 10.084 6.281 -4.068 1.00 0.00 H new ATOM 0 HA TRP A 54 7.992 5.697 -2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.644 8.120 -3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.224 8.013 -2.781 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.032 8.446 -2.577 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.699 9.189 -0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.488 7.859 -0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.418 9.474 2.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.286 8.386 2.083 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.226 9.190 3.369 1.00 0.00 H new ATOM 799 N ALA A 55 6.301 4.869 -3.671 1.00 0.00 N ATOM 800 CA ALA A 55 5.259 4.386 -4.570 1.00 0.00 C ATOM 801 C ALA A 55 3.874 4.764 -4.058 1.00 0.00 C ATOM 802 O ALA A 55 3.636 4.863 -2.854 1.00 0.00 O ATOM 803 CB ALA A 55 5.367 2.878 -4.740 1.00 0.00 C ATOM 0 H ALA A 55 6.245 4.498 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 55 5.401 4.862 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.583 2.531 -5.413 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.342 2.628 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.253 2.393 -3.770 1.00 0.00 H new ATOM 809 N PRO A 56 2.936 4.983 -4.992 1.00 0.00 N ATOM 810 CA PRO A 56 1.558 5.355 -4.658 1.00 0.00 C ATOM 811 C PRO A 56 0.788 4.207 -4.014 1.00 0.00 C ATOM 812 O PRO A 56 0.988 3.042 -4.359 1.00 0.00 O ATOM 813 CB PRO A 56 0.949 5.712 -6.016 1.00 0.00 C ATOM 814 CG PRO A 56 1.756 4.947 -7.007 1.00 0.00 C ATOM 815 CD PRO A 56 3.150 4.884 -6.445 1.00 0.00 C ATOM 0 HA PRO A 56 1.519 6.166 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.104 5.433 -6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.003 6.784 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.349 3.947 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.749 5.439 -7.979 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.651 3.954 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.770 5.700 -6.816 1.00 0.00 H new ATOM 823 N SER A 57 -0.093 4.544 -3.078 1.00 0.00 N ATOM 824 CA SER A 57 -0.892 3.541 -2.383 1.00 0.00 C ATOM 825 C SER A 57 -1.883 2.880 -3.336 1.00 0.00 C ATOM 826 O SER A 57 -2.366 1.776 -3.081 1.00 0.00 O ATOM 827 CB SER A 57 -1.640 4.177 -1.210 1.00 0.00 C ATOM 828 OG SER A 57 -2.527 5.187 -1.659 1.00 0.00 O ATOM 0 H SER A 57 -0.272 5.504 -2.783 1.00 0.00 H new ATOM 0 HA SER A 57 -0.217 2.775 -2.001 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.198 3.411 -0.672 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.925 4.603 -0.506 1.00 0.00 H new ATOM 0 HG SER A 57 -2.994 5.577 -0.891 1.00 0.00 H new ATOM 834 N HIS A 58 -2.183 3.564 -4.436 1.00 0.00 N ATOM 835 CA HIS A 58 -3.117 3.044 -5.429 1.00 0.00 C ATOM 836 C HIS A 58 -2.616 1.724 -6.007 1.00 0.00 C ATOM 837 O HIS A 58 -3.385 0.778 -6.175 1.00 0.00 O ATOM 838 CB HIS A 58 -3.318 4.062 -6.552 1.00 0.00 C ATOM 839 CG HIS A 58 -3.470 5.470 -6.064 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.581 6.476 -6.381 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.415 6.038 -5.280 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.972 7.601 -5.811 1.00 0.00 C ATOM 843 NE2 HIS A 58 -4.083 7.363 -5.137 1.00 0.00 N ATOM 0 H HIS A 58 -1.793 4.479 -4.662 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.072 2.865 -4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.468 4.012 -7.233 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -4.203 3.788 -7.126 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.271 5.542 -4.847 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.469 8.554 -5.883 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.609 8.051 -4.598 1.00 0.00 H new ATOM 852 N TYR A 59 -1.324 1.668 -6.309 1.00 0.00 N ATOM 853 CA TYR A 59 -0.722 0.465 -6.870 1.00 0.00 C ATOM 854 C TYR A 59 -0.643 -0.644 -5.826 1.00 0.00 C ATOM 855 O TYR A 59 -0.765 -1.827 -6.147 1.00 0.00 O ATOM 856 CB TYR A 59 0.676 0.773 -7.410 1.00 0.00 C ATOM 857 CG TYR A 59 0.668 1.575 -8.691 1.00 0.00 C ATOM 858 CD1 TYR A 59 0.077 2.832 -8.743 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.249 1.077 -9.850 1.00 0.00 C ATOM 860 CE1 TYR A 59 0.066 3.569 -9.911 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.244 1.807 -11.023 1.00 0.00 C ATOM 862 CZ TYR A 59 0.652 3.052 -11.049 1.00 0.00 C ATOM 863 OH TYR A 59 0.643 3.782 -12.215 1.00 0.00 O ATOM 0 H TYR A 59 -0.673 2.442 -6.175 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.354 0.122 -7.689 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.236 1.321 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.205 -0.165 -7.582 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.382 3.240 -7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.713 0.102 -9.834 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.398 4.544 -9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.701 1.405 -11.915 1.00 0.00 H new ATOM 0 HH TYR A 59 1.097 3.276 -12.921 1.00 0.00 H new ATOM 873 N LEU A 60 -0.438 -0.253 -4.573 1.00 0.00 N ATOM 874 CA LEU A 60 -0.344 -1.213 -3.478 1.00 0.00 C ATOM 875 C LEU A 60 -1.730 -1.604 -2.975 1.00 0.00 C ATOM 876 O LEU A 60 -2.620 -0.762 -2.858 1.00 0.00 O ATOM 877 CB LEU A 60 0.481 -0.627 -2.330 1.00 0.00 C ATOM 878 CG LEU A 60 1.912 -0.214 -2.674 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.538 0.556 -1.522 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.751 -1.436 -3.020 1.00 0.00 C ATOM 0 H LEU A 60 -0.334 0.721 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 60 0.151 -2.108 -3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.044 0.245 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.520 -1.361 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 60 1.881 0.440 -3.546 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.556 0.841 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.951 1.452 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.556 -0.073 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.767 -1.123 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.774 -2.115 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.314 -1.946 -3.878 1.00 0.00 H new ATOM 892 N VAL A 61 -1.905 -2.888 -2.678 1.00 0.00 N ATOM 893 CA VAL A 61 -3.182 -3.391 -2.185 1.00 0.00 C ATOM 894 C VAL A 61 -3.161 -3.551 -0.669 1.00 0.00 C ATOM 895 O VAL A 61 -2.294 -4.231 -0.117 1.00 0.00 O ATOM 896 CB VAL A 61 -3.538 -4.745 -2.828 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.560 -5.821 -2.383 1.00 0.00 C ATOM 898 CG2 VAL A 61 -4.967 -5.137 -2.485 1.00 0.00 C ATOM 0 H VAL A 61 -1.179 -3.598 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.939 -2.656 -2.460 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.462 -4.645 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.827 -6.770 -2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.550 -5.542 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.600 -5.923 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.202 -6.096 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.072 -5.220 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.653 -4.376 -2.859 1.00 0.00 H new ATOM 908 N LEU A 62 -4.120 -2.920 0.000 1.00 0.00 N ATOM 909 CA LEU A 62 -4.213 -2.992 1.454 1.00 0.00 C ATOM 910 C LEU A 62 -5.027 -4.207 1.888 1.00 0.00 C ATOM 911 O LEU A 62 -6.250 -4.228 1.750 1.00 0.00 O ATOM 912 CB LEU A 62 -4.846 -1.715 2.008 1.00 0.00 C ATOM 913 CG LEU A 62 -4.515 -0.423 1.261 1.00 0.00 C ATOM 914 CD1 LEU A 62 -3.057 -0.415 0.828 1.00 0.00 C ATOM 915 CD2 LEU A 62 -5.431 -0.252 0.058 1.00 0.00 C ATOM 0 H LEU A 62 -4.844 -2.353 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.204 -3.092 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.929 -1.842 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.535 -1.600 3.046 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.677 0.416 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.840 0.512 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.416 -0.489 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.869 -1.262 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.181 0.673 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.302 -1.095 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.467 -0.211 0.393 1.00 0.00 H new ATOM 927 N ASP A 63 -4.341 -5.215 2.414 1.00 0.00 N ATOM 928 CA ASP A 63 -5.001 -6.433 2.872 1.00 0.00 C ATOM 929 C ASP A 63 -5.463 -6.289 4.319 1.00 0.00 C ATOM 930 O ASP A 63 -5.498 -7.264 5.068 1.00 0.00 O ATOM 931 CB ASP A 63 -4.058 -7.629 2.741 1.00 0.00 C ATOM 932 CG ASP A 63 -4.804 -8.943 2.611 1.00 0.00 C ATOM 933 OD1 ASP A 63 -6.008 -8.911 2.281 1.00 0.00 O ATOM 934 OD2 ASP A 63 -4.183 -10.002 2.837 1.00 0.00 O ATOM 0 H ASP A 63 -3.328 -5.214 2.534 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.877 -6.601 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.418 -7.490 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.405 -7.670 3.613 1.00 0.00 H new ATOM 939 N GLU A 64 -5.815 -5.066 4.704 1.00 0.00 N ATOM 940 CA GLU A 64 -6.272 -4.796 6.062 1.00 0.00 C ATOM 941 C GLU A 64 -7.092 -5.964 6.603 1.00 0.00 C ATOM 942 O GLU A 64 -7.037 -6.277 7.791 1.00 0.00 O ATOM 943 CB GLU A 64 -7.107 -3.514 6.097 1.00 0.00 C ATOM 944 CG GLU A 64 -8.560 -3.722 5.701 1.00 0.00 C ATOM 945 CD GLU A 64 -8.722 -4.055 4.231 1.00 0.00 C ATOM 946 OE1 GLU A 64 -7.870 -3.623 3.427 1.00 0.00 O ATOM 947 OE2 GLU A 64 -9.702 -4.748 3.885 1.00 0.00 O ATOM 0 H GLU A 64 -5.792 -4.248 4.095 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.394 -4.667 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.070 -3.094 7.102 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.658 -2.780 5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.984 -4.527 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.128 -2.820 5.930 1.00 0.00 H new ATOM 954 N ASN A 65 -7.852 -6.605 5.720 1.00 0.00 N ATOM 955 CA ASN A 65 -8.684 -7.738 6.108 1.00 0.00 C ATOM 956 C ASN A 65 -7.960 -8.624 7.117 1.00 0.00 C ATOM 957 O ASN A 65 -8.351 -8.703 8.281 1.00 0.00 O ATOM 958 CB ASN A 65 -9.071 -8.559 4.877 1.00 0.00 C ATOM 959 CG ASN A 65 -9.872 -7.753 3.873 1.00 0.00 C ATOM 960 OD1 ASN A 65 -11.010 -7.365 4.138 1.00 0.00 O ATOM 961 ND2 ASN A 65 -9.280 -7.497 2.712 1.00 0.00 N ATOM 0 H ASN A 65 -7.909 -6.359 4.732 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.589 -7.349 6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.168 -8.937 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.653 -9.426 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.770 -6.959 1.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.335 -7.838 2.535 1.00 0.00 H new ATOM 968 N GLU A 66 -6.902 -9.288 6.662 1.00 0.00 N ATOM 969 CA GLU A 66 -6.124 -10.169 7.525 1.00 0.00 C ATOM 970 C GLU A 66 -4.652 -10.161 7.124 1.00 0.00 C ATOM 971 O GLU A 66 -4.318 -10.300 5.948 1.00 0.00 O ATOM 972 CB GLU A 66 -6.673 -11.596 7.463 1.00 0.00 C ATOM 973 CG GLU A 66 -6.601 -12.216 6.078 1.00 0.00 C ATOM 974 CD GLU A 66 -7.581 -11.589 5.106 1.00 0.00 C ATOM 975 OE1 GLU A 66 -8.752 -11.387 5.492 1.00 0.00 O ATOM 976 OE2 GLU A 66 -7.178 -11.299 3.960 1.00 0.00 O ATOM 0 H GLU A 66 -6.564 -9.233 5.701 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.207 -9.800 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.116 -12.221 8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.711 -11.592 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.589 -12.108 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.802 -13.285 6.152 1.00 0.00 H new ATOM 983 N GLN A 67 -3.777 -9.998 8.111 1.00 0.00 N ATOM 984 CA GLN A 67 -2.340 -9.970 7.862 1.00 0.00 C ATOM 985 C GLN A 67 -1.565 -10.438 9.089 1.00 0.00 C ATOM 986 O GLN A 67 -1.856 -10.051 10.221 1.00 0.00 O ATOM 987 CB GLN A 67 -1.896 -8.560 7.470 1.00 0.00 C ATOM 988 CG GLN A 67 -1.953 -8.297 5.974 1.00 0.00 C ATOM 989 CD GLN A 67 -1.003 -9.180 5.190 1.00 0.00 C ATOM 990 OE1 GLN A 67 0.179 -8.867 5.047 1.00 0.00 O ATOM 991 NE2 GLN A 67 -1.516 -10.292 4.676 1.00 0.00 N ATOM 0 H GLN A 67 -4.038 -9.883 9.090 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.126 -10.652 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.527 -7.834 7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.876 -8.399 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.971 -8.459 5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.712 -7.251 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.502 -10.513 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.924 -10.925 4.138 1.00 0.00 H new ATOM 1000 N PRO A 68 -0.556 -11.291 8.862 1.00 0.00 N ATOM 1001 CA PRO A 68 0.282 -11.831 9.938 1.00 0.00 C ATOM 1002 C PRO A 68 1.187 -10.770 10.555 1.00 0.00 C ATOM 1003 O PRO A 68 1.823 -9.992 9.843 1.00 0.00 O ATOM 1004 CB PRO A 68 1.117 -12.902 9.233 1.00 0.00 C ATOM 1005 CG PRO A 68 1.162 -12.472 7.808 1.00 0.00 C ATOM 1006 CD PRO A 68 -0.153 -11.795 7.538 1.00 0.00 C ATOM 0 HA PRO A 68 -0.314 -12.213 10.767 1.00 0.00 H new ATOM 0 HB2 PRO A 68 2.118 -12.967 9.659 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.663 -13.888 9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.995 -11.791 7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.304 -13.327 7.147 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -0.047 -10.986 6.815 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.887 -12.491 7.132 1.00 0.00 H new ATOM 1014 N ASP A 69 1.241 -10.744 11.882 1.00 0.00 N ATOM 1015 CA ASP A 69 2.070 -9.779 12.595 1.00 0.00 C ATOM 1016 C ASP A 69 2.934 -10.474 13.642 1.00 0.00 C ATOM 1017 O ASP A 69 2.621 -10.484 14.833 1.00 0.00 O ATOM 1018 CB ASP A 69 1.195 -8.716 13.261 1.00 0.00 C ATOM 1019 CG ASP A 69 -0.034 -9.309 13.921 1.00 0.00 C ATOM 1020 OD1 ASP A 69 0.125 -10.202 14.779 1.00 0.00 O ATOM 1021 OD2 ASP A 69 -1.156 -8.879 13.579 1.00 0.00 O ATOM 0 H ASP A 69 0.720 -11.380 12.486 1.00 0.00 H new ATOM 0 HA ASP A 69 2.726 -9.296 11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.782 -8.181 14.007 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.886 -7.984 12.515 1.00 0.00 H new ATOM 1026 N PRO A 70 4.047 -11.071 13.191 1.00 0.00 N ATOM 1027 CA PRO A 70 4.978 -11.780 14.073 1.00 0.00 C ATOM 1028 C PRO A 70 5.742 -10.833 14.992 1.00 0.00 C ATOM 1029 O PRO A 70 5.835 -11.063 16.198 1.00 0.00 O ATOM 1030 CB PRO A 70 5.938 -12.467 13.098 1.00 0.00 C ATOM 1031 CG PRO A 70 5.886 -11.633 11.865 1.00 0.00 C ATOM 1032 CD PRO A 70 4.482 -11.099 11.785 1.00 0.00 C ATOM 0 HA PRO A 70 4.461 -12.469 14.741 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.949 -12.512 13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.630 -13.493 12.896 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.611 -10.820 11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.129 -12.225 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.455 -10.106 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.842 -11.740 11.179 1.00 0.00 H new ATOM 1040 N SER A 71 6.286 -9.766 14.415 1.00 0.00 N ATOM 1041 CA SER A 71 7.044 -8.785 15.183 1.00 0.00 C ATOM 1042 C SER A 71 7.428 -7.593 14.312 1.00 0.00 C ATOM 1043 O SER A 71 7.410 -7.675 13.084 1.00 0.00 O ATOM 1044 CB SER A 71 8.302 -9.427 15.770 1.00 0.00 C ATOM 1045 OG SER A 71 9.006 -8.512 16.591 1.00 0.00 O ATOM 0 H SER A 71 6.216 -9.559 13.419 1.00 0.00 H new ATOM 0 HA SER A 71 6.412 -8.430 15.997 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.027 -10.306 16.353 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.950 -9.769 14.963 1.00 0.00 H new ATOM 0 HG SER A 71 9.805 -8.947 16.955 1.00 0.00 H new ATOM 1051 N GLY A 72 7.774 -6.483 14.957 1.00 0.00 N ATOM 1052 CA GLY A 72 8.157 -5.289 14.227 1.00 0.00 C ATOM 1053 C GLY A 72 7.831 -4.017 14.984 1.00 0.00 C ATOM 1054 O GLY A 72 6.992 -3.226 14.553 1.00 0.00 O ATOM 0 H GLY A 72 7.796 -6.390 15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.227 -5.321 14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.646 -5.276 13.264 1.00 0.00 H new ATOM 1058 N LYS A 73 8.495 -3.819 16.118 1.00 0.00 N ATOM 1059 CA LYS A 73 8.272 -2.634 16.939 1.00 0.00 C ATOM 1060 C LYS A 73 9.539 -1.790 17.031 1.00 0.00 C ATOM 1061 O LYS A 73 10.589 -2.274 17.453 1.00 0.00 O ATOM 1062 CB LYS A 73 7.814 -3.039 18.341 1.00 0.00 C ATOM 1063 CG LYS A 73 7.553 -1.858 19.261 1.00 0.00 C ATOM 1064 CD LYS A 73 7.822 -2.213 20.714 1.00 0.00 C ATOM 1065 CE LYS A 73 7.368 -1.105 21.651 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.889 -1.092 21.821 1.00 0.00 N ATOM 0 H LYS A 73 9.192 -4.464 16.490 1.00 0.00 H new ATOM 0 HA LYS A 73 7.492 -2.037 16.467 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.904 -3.633 18.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.573 -3.679 18.791 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.185 -1.020 18.967 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.519 -1.531 19.151 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.304 -3.139 20.965 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.887 -2.396 20.854 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.844 -1.234 22.623 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.697 -0.142 21.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.625 -0.355 22.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.436 -0.893 20.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.571 -2.019 22.170 1.00 0.00 H new ATOM 1080 N GLU A 74 9.433 -0.525 16.635 1.00 0.00 N ATOM 1081 CA GLU A 74 10.571 0.385 16.674 1.00 0.00 C ATOM 1082 C GLU A 74 10.448 1.360 17.842 1.00 0.00 C ATOM 1083 O GLU A 74 9.473 2.105 17.942 1.00 0.00 O ATOM 1084 CB GLU A 74 10.679 1.159 15.358 1.00 0.00 C ATOM 1085 CG GLU A 74 11.475 0.432 14.288 1.00 0.00 C ATOM 1086 CD GLU A 74 12.963 0.709 14.379 1.00 0.00 C ATOM 1087 OE1 GLU A 74 13.339 1.894 14.506 1.00 0.00 O ATOM 1088 OE2 GLU A 74 13.752 -0.257 14.322 1.00 0.00 O ATOM 0 H GLU A 74 8.571 -0.108 16.284 1.00 0.00 H new ATOM 0 HA GLU A 74 11.474 -0.209 16.813 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.676 1.358 14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.145 2.125 15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.303 -0.641 14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.113 0.732 13.305 1.00 0.00 H new ATOM 1095 N SER A 75 11.443 1.348 18.722 1.00 0.00 N ATOM 1096 CA SER A 75 11.445 2.228 19.885 1.00 0.00 C ATOM 1097 C SER A 75 11.846 3.647 19.493 1.00 0.00 C ATOM 1098 O SER A 75 11.193 4.617 19.877 1.00 0.00 O ATOM 1099 CB SER A 75 12.401 1.693 20.954 1.00 0.00 C ATOM 1100 OG SER A 75 11.982 2.077 22.252 1.00 0.00 O ATOM 0 H SER A 75 12.258 0.739 18.652 1.00 0.00 H new ATOM 0 HA SER A 75 10.434 2.254 20.291 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.450 0.606 20.891 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.407 2.069 20.767 1.00 0.00 H new ATOM 0 HG SER A 75 12.608 1.721 22.917 1.00 0.00 H new ATOM 1106 N GLY A 76 12.925 3.759 18.724 1.00 0.00 N ATOM 1107 CA GLY A 76 13.395 5.063 18.292 1.00 0.00 C ATOM 1108 C GLY A 76 12.258 6.008 17.958 1.00 0.00 C ATOM 1109 O GLY A 76 11.727 6.705 18.822 1.00 0.00 O ATOM 0 H GLY A 76 13.482 2.971 18.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.010 5.503 19.077 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.033 4.944 17.417 1.00 0.00 H new ATOM 1113 N PRO A 77 11.868 6.040 16.675 1.00 0.00 N ATOM 1114 CA PRO A 77 10.783 6.903 16.198 1.00 0.00 C ATOM 1115 C PRO A 77 9.418 6.451 16.704 1.00 0.00 C ATOM 1116 O PRO A 77 8.957 5.356 16.380 1.00 0.00 O ATOM 1117 CB PRO A 77 10.863 6.765 14.676 1.00 0.00 C ATOM 1118 CG PRO A 77 11.498 5.437 14.449 1.00 0.00 C ATOM 1119 CD PRO A 77 12.456 5.235 15.590 1.00 0.00 C ATOM 0 HA PRO A 77 10.891 7.928 16.552 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.873 6.813 14.222 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.455 7.567 14.236 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.749 4.646 14.424 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.020 5.413 13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.535 4.184 15.867 1.00 0.00 H new ATOM 0 HD3 PRO A 77 13.460 5.574 15.337 1.00 0.00 H new ATOM 1127 N SER A 78 8.775 7.301 17.499 1.00 0.00 N ATOM 1128 CA SER A 78 7.463 6.987 18.052 1.00 0.00 C ATOM 1129 C SER A 78 6.438 8.046 17.655 1.00 0.00 C ATOM 1130 O SER A 78 6.775 9.217 17.486 1.00 0.00 O ATOM 1131 CB SER A 78 7.540 6.881 19.576 1.00 0.00 C ATOM 1132 OG SER A 78 8.289 5.744 19.971 1.00 0.00 O ATOM 0 H SER A 78 9.142 8.212 17.774 1.00 0.00 H new ATOM 0 HA SER A 78 7.145 6.028 17.644 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.998 7.782 19.984 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.534 6.820 19.991 1.00 0.00 H new ATOM 0 HG SER A 78 9.224 5.859 19.702 1.00 0.00 H new ATOM 1138 N SER A 79 5.187 7.623 17.509 1.00 0.00 N ATOM 1139 CA SER A 79 4.113 8.534 17.129 1.00 0.00 C ATOM 1140 C SER A 79 4.305 9.902 17.776 1.00 0.00 C ATOM 1141 O SER A 79 4.658 10.001 18.951 1.00 0.00 O ATOM 1142 CB SER A 79 2.756 7.952 17.532 1.00 0.00 C ATOM 1143 OG SER A 79 2.218 7.148 16.497 1.00 0.00 O ATOM 0 H SER A 79 4.892 6.657 17.648 1.00 0.00 H new ATOM 0 HA SER A 79 4.141 8.657 16.046 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.867 7.357 18.439 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.064 8.762 17.765 1.00 0.00 H new ATOM 0 HG SER A 79 1.352 6.787 16.780 1.00 0.00 H new ATOM 1149 N GLY A 80 4.070 10.955 17.000 1.00 0.00 N ATOM 1150 CA GLY A 80 4.222 12.304 17.514 1.00 0.00 C ATOM 1151 C GLY A 80 3.253 12.609 18.639 1.00 0.00 C ATOM 1152 O GLY A 80 3.400 12.097 19.749 1.00 0.00 O ATOM 0 H GLY A 80 3.777 10.898 16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.243 12.440 17.871 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.070 13.017 16.704 1.00 0.00 H new TER 1156 GLY A 80