USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 85 TYR OH : rot -40:sc= 0.638 USER MOD Set 1.2: A 103 SER OG : rot -18:sc= 1.62 USER MOD Set 2.1: A 37 THR OG1 : rot 3:sc= 0.788 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -0.541 K(o=0.25,f=-2!) USER MOD Set 3.1: A 25 GLN : amide:sc= 0.135 K(o=0.49,f=-0.016) USER MOD Set 3.2: A 29 ASN :FLIP amide:sc= 0.357 F(o=-0.016,f=0.49) USER MOD Set 4.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 12 SER OG : rot 123:sc= 1.05 USER MOD Set 5.2: A 14 SER OG : rot 180:sc= 0.859 USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 0.265 USER MOD Set 6.2: A 10 ASN : amide:sc= 0.0501 X(o=0.32,f=0.77) USER MOD Single : A 2 SER OG : rot 40:sc= 0.127 USER MOD Single : A 4 THR OG1 : rot 170:sc= -2.04 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00343 USER MOD Single : A 11 TYR OH : rot 0:sc= -0.0283 USER MOD Single : A 15 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.14) USER MOD Single : A 21 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.4) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.179 USER MOD Single : A 28 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 164:sc= 0.723 USER MOD Single : A 36 SER OG : rot 47:sc= 1.16 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 162:sc= 0.354 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.622 X(o=-0.62,f=-0.69) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 61:sc= 0.132 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 10:sc= 0.475 USER MOD Single : A 80 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.6!) USER MOD Single : A 81 THR OG1 : rot -29:sc= 0.453 USER MOD Single : A 82 ASN : amide:sc=-0.00453 X(o=-0.0045,f=-0.0045) USER MOD Single : A 90 THR OG1 : rot 40:sc= -0.0613 USER MOD Single : A 91 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-2.1) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.265 K(o=-0.26,f=-6.3!) USER MOD Single : A 105 THR OG1 : rot 96:sc= 0.711 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.027 12.614 -6.537 1.00 0.00 N ATOM 16 CA SER A 2 7.157 12.690 -5.621 1.00 0.00 C ATOM 17 C SER A 2 7.188 14.095 -5.020 1.00 0.00 C ATOM 18 O SER A 2 6.240 14.860 -5.193 1.00 0.00 O ATOM 19 CB SER A 2 8.453 12.362 -6.380 1.00 0.00 C ATOM 20 OG SER A 2 8.364 11.085 -6.975 1.00 0.00 O ATOM 0 HA SER A 2 7.060 11.965 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.634 13.116 -7.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.301 12.393 -5.696 1.00 0.00 H new ATOM 0 HG SER A 2 7.465 10.958 -7.345 1.00 0.00 H new ATOM 26 N ALA A 3 8.269 14.432 -4.306 1.00 0.00 N ATOM 27 CA ALA A 3 8.456 15.735 -3.687 1.00 0.00 C ATOM 28 C ALA A 3 8.304 16.836 -4.736 1.00 0.00 C ATOM 29 O ALA A 3 9.023 16.842 -5.734 1.00 0.00 O ATOM 30 CB ALA A 3 9.834 15.794 -3.026 1.00 0.00 C ATOM 0 H ALA A 3 9.046 13.792 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 3 7.697 15.889 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.974 16.771 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.906 15.017 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.606 15.636 -3.779 1.00 0.00 H new ATOM 36 N THR A 4 7.369 17.764 -4.499 1.00 0.00 N ATOM 37 CA THR A 4 7.087 18.863 -5.407 1.00 0.00 C ATOM 38 C THR A 4 7.942 20.058 -5.004 1.00 0.00 C ATOM 39 O THR A 4 7.526 20.905 -4.216 1.00 0.00 O ATOM 40 CB THR A 4 5.578 19.171 -5.466 1.00 0.00 C ATOM 41 OG1 THR A 4 4.987 19.079 -4.200 1.00 0.00 O ATOM 42 CG2 THR A 4 4.826 18.192 -6.360 1.00 0.00 C ATOM 0 H THR A 4 6.786 17.766 -3.662 1.00 0.00 H new ATOM 0 HA THR A 4 7.355 18.590 -6.427 1.00 0.00 H new ATOM 0 HB THR A 4 5.507 20.184 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.074 19.433 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.767 18.449 -6.370 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.223 18.247 -7.374 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.950 17.179 -5.976 1.00 0.00 H new ATOM 50 N THR A 5 9.161 20.106 -5.554 1.00 0.00 N ATOM 51 CA THR A 5 10.116 21.156 -5.339 1.00 0.00 C ATOM 52 C THR A 5 9.817 22.113 -6.489 1.00 0.00 C ATOM 53 O THR A 5 10.273 21.931 -7.618 1.00 0.00 O ATOM 54 CB THR A 5 11.509 20.519 -5.293 1.00 0.00 C ATOM 55 OG1 THR A 5 11.791 20.139 -3.960 1.00 0.00 O ATOM 56 CG2 THR A 5 12.566 21.483 -5.799 1.00 0.00 C ATOM 0 H THR A 5 9.505 19.379 -6.182 1.00 0.00 H new ATOM 0 HA THR A 5 10.065 21.713 -4.403 1.00 0.00 H new ATOM 0 HB THR A 5 11.524 19.643 -5.941 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.680 19.728 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.545 21.005 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.343 21.760 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.571 22.377 -5.176 1.00 0.00 H new ATOM 64 N CYS A 6 9.018 23.134 -6.170 1.00 0.00 N ATOM 65 CA CYS A 6 8.565 24.143 -7.106 1.00 0.00 C ATOM 66 C CYS A 6 9.439 25.386 -6.976 1.00 0.00 C ATOM 67 O CYS A 6 9.073 26.348 -6.303 1.00 0.00 O ATOM 68 CB CYS A 6 7.072 24.394 -6.861 1.00 0.00 C ATOM 69 SG CYS A 6 5.995 22.922 -6.833 1.00 0.00 S ATOM 0 H CYS A 6 8.663 23.278 -5.225 1.00 0.00 H new ATOM 0 HA CYS A 6 8.667 23.815 -8.141 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.965 24.914 -5.909 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.708 25.069 -7.635 1.00 0.00 H new ATOM 74 N GLY A 7 10.605 25.335 -7.635 1.00 0.00 N ATOM 75 CA GLY A 7 11.597 26.393 -7.637 1.00 0.00 C ATOM 76 C GLY A 7 12.343 26.363 -6.308 1.00 0.00 C ATOM 77 O GLY A 7 13.390 25.726 -6.195 1.00 0.00 O ATOM 0 H GLY A 7 10.882 24.528 -8.194 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.293 26.257 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.117 27.361 -7.780 1.00 0.00 H new ATOM 81 N SER A 8 11.782 27.061 -5.315 1.00 0.00 N ATOM 82 CA SER A 8 12.298 27.158 -3.960 1.00 0.00 C ATOM 83 C SER A 8 11.261 26.673 -2.944 1.00 0.00 C ATOM 84 O SER A 8 11.640 26.282 -1.842 1.00 0.00 O ATOM 85 CB SER A 8 12.710 28.605 -3.668 1.00 0.00 C ATOM 86 OG SER A 8 11.597 29.470 -3.760 1.00 0.00 O ATOM 0 H SER A 8 10.921 27.593 -5.446 1.00 0.00 H new ATOM 0 HA SER A 8 13.174 26.515 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.146 28.670 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.480 28.918 -4.373 1.00 0.00 H new ATOM 0 HG SER A 8 11.880 30.389 -3.569 1.00 0.00 H new ATOM 92 N THR A 9 9.966 26.695 -3.297 1.00 0.00 N ATOM 93 CA THR A 9 8.891 26.251 -2.425 1.00 0.00 C ATOM 94 C THR A 9 8.881 24.719 -2.449 1.00 0.00 C ATOM 95 O THR A 9 8.240 24.094 -3.295 1.00 0.00 O ATOM 96 CB THR A 9 7.558 26.897 -2.845 1.00 0.00 C ATOM 97 OG1 THR A 9 7.771 28.176 -3.406 1.00 0.00 O ATOM 98 CG2 THR A 9 6.668 27.071 -1.613 1.00 0.00 C ATOM 0 H THR A 9 9.643 27.026 -4.206 1.00 0.00 H new ATOM 0 HA THR A 9 9.045 26.570 -1.394 1.00 0.00 H new ATOM 0 HB THR A 9 7.087 26.248 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.911 28.566 -3.667 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.724 27.528 -1.908 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.475 26.097 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.171 27.712 -0.889 1.00 0.00 H new ATOM 106 N ASN A 10 9.619 24.132 -1.500 1.00 0.00 N ATOM 107 CA ASN A 10 9.796 22.697 -1.352 1.00 0.00 C ATOM 108 C ASN A 10 8.664 22.040 -0.567 1.00 0.00 C ATOM 109 O ASN A 10 8.329 22.489 0.528 1.00 0.00 O ATOM 110 CB ASN A 10 11.141 22.424 -0.661 1.00 0.00 C ATOM 111 CG ASN A 10 12.317 23.095 -1.370 1.00 0.00 C ATOM 112 OD1 ASN A 10 13.008 23.920 -0.777 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.552 22.748 -2.637 1.00 0.00 N ATOM 0 H ASN A 10 10.123 24.668 -0.794 1.00 0.00 H new ATOM 0 HA ASN A 10 9.782 22.258 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.094 22.778 0.369 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.312 21.348 -0.621 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.327 23.172 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.956 22.059 -3.096 1.00 0.00 H new ATOM 120 N TYR A 11 8.075 20.984 -1.146 1.00 0.00 N ATOM 121 CA TYR A 11 7.007 20.201 -0.545 1.00 0.00 C ATOM 122 C TYR A 11 7.426 18.728 -0.593 1.00 0.00 C ATOM 123 O TYR A 11 7.895 18.253 -1.628 1.00 0.00 O ATOM 124 CB TYR A 11 5.714 20.380 -1.340 1.00 0.00 C ATOM 125 CG TYR A 11 5.272 21.799 -1.647 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.124 22.737 -0.610 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.994 22.185 -2.974 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.700 24.043 -0.906 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.572 23.490 -3.266 1.00 0.00 C ATOM 130 CZ TYR A 11 4.416 24.418 -2.228 1.00 0.00 C ATOM 131 OH TYR A 11 3.993 25.685 -2.500 1.00 0.00 O ATOM 0 H TYR A 11 8.342 20.649 -2.071 1.00 0.00 H new ATOM 0 HA TYR A 11 6.835 20.526 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.824 19.850 -2.286 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.911 19.889 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.336 22.454 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.107 21.468 -3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.592 24.764 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.368 23.778 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 11 3.941 26.198 -1.667 1.00 0.00 H new ATOM 141 N SER A 12 7.245 18.008 0.520 1.00 0.00 N ATOM 142 CA SER A 12 7.585 16.600 0.660 1.00 0.00 C ATOM 143 C SER A 12 6.656 15.753 -0.179 1.00 0.00 C ATOM 144 O SER A 12 5.526 16.153 -0.447 1.00 0.00 O ATOM 145 CB SER A 12 7.521 16.214 2.138 1.00 0.00 C ATOM 146 OG SER A 12 6.264 16.548 2.686 1.00 0.00 O ATOM 0 H SER A 12 6.846 18.407 1.370 1.00 0.00 H new ATOM 0 HA SER A 12 8.599 16.424 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.699 15.144 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.311 16.726 2.687 1.00 0.00 H new ATOM 0 HG SER A 12 5.849 15.745 3.065 1.00 0.00 H new ATOM 152 N ALA A 13 7.152 14.581 -0.603 1.00 0.00 N ATOM 153 CA ALA A 13 6.368 13.625 -1.369 1.00 0.00 C ATOM 154 C ALA A 13 5.144 13.255 -0.525 1.00 0.00 C ATOM 155 O ALA A 13 4.121 12.832 -1.061 1.00 0.00 O ATOM 156 CB ALA A 13 7.217 12.387 -1.669 1.00 0.00 C ATOM 0 H ALA A 13 8.109 14.278 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 13 6.050 14.049 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.628 11.672 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.095 12.679 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.534 11.927 -0.733 1.00 0.00 H new ATOM 162 N SER A 14 5.265 13.441 0.802 1.00 0.00 N ATOM 163 CA SER A 14 4.200 13.156 1.747 1.00 0.00 C ATOM 164 C SER A 14 3.162 14.280 1.702 1.00 0.00 C ATOM 165 O SER A 14 1.976 14.000 1.846 1.00 0.00 O ATOM 166 CB SER A 14 4.754 12.909 3.153 1.00 0.00 C ATOM 167 OG SER A 14 5.414 14.046 3.655 1.00 0.00 O ATOM 0 H SER A 14 6.115 13.796 1.239 1.00 0.00 H new ATOM 0 HA SER A 14 3.699 12.231 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.939 12.635 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.445 12.066 3.130 1.00 0.00 H new ATOM 0 HG SER A 14 5.754 13.856 4.554 1.00 0.00 H new ATOM 173 N GLN A 15 3.587 15.540 1.498 1.00 0.00 N ATOM 174 CA GLN A 15 2.691 16.684 1.409 1.00 0.00 C ATOM 175 C GLN A 15 1.854 16.627 0.127 1.00 0.00 C ATOM 176 O GLN A 15 0.700 17.051 0.134 1.00 0.00 O ATOM 177 CB GLN A 15 3.494 17.986 1.530 1.00 0.00 C ATOM 178 CG GLN A 15 2.610 19.233 1.629 1.00 0.00 C ATOM 179 CD GLN A 15 1.695 19.218 2.849 1.00 0.00 C ATOM 180 OE1 GLN A 15 0.476 19.140 2.709 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.281 19.294 4.048 1.00 0.00 N ATOM 0 H GLN A 15 4.572 15.784 1.391 1.00 0.00 H new ATOM 0 HA GLN A 15 1.985 16.654 2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.133 17.931 2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.151 18.082 0.665 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.244 20.119 1.668 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.003 19.314 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.297 19.357 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.712 19.289 4.895 1.00 0.00 H new ATOM 190 N VAL A 16 2.427 16.101 -0.965 1.00 0.00 N ATOM 191 CA VAL A 16 1.739 15.958 -2.246 1.00 0.00 C ATOM 192 C VAL A 16 0.626 14.932 -2.063 1.00 0.00 C ATOM 193 O VAL A 16 -0.521 15.188 -2.416 1.00 0.00 O ATOM 194 CB VAL A 16 2.690 15.501 -3.361 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.001 15.604 -4.726 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.943 16.371 -3.365 1.00 0.00 C ATOM 0 H VAL A 16 3.389 15.762 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 16 1.339 16.927 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 16 2.965 14.463 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.688 15.276 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.114 14.971 -4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.710 16.638 -4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.613 16.041 -4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.664 17.411 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.449 16.284 -2.404 1.00 0.00 H new ATOM 206 N ARG A 17 0.991 13.773 -1.498 1.00 0.00 N ATOM 207 CA ARG A 17 0.101 12.662 -1.218 1.00 0.00 C ATOM 208 C ARG A 17 -0.998 13.074 -0.235 1.00 0.00 C ATOM 209 O ARG A 17 -2.145 12.663 -0.397 1.00 0.00 O ATOM 210 CB ARG A 17 0.949 11.486 -0.717 1.00 0.00 C ATOM 211 CG ARG A 17 0.144 10.205 -0.467 1.00 0.00 C ATOM 212 CD ARG A 17 -0.273 10.061 1.000 1.00 0.00 C ATOM 213 NE ARG A 17 -0.975 8.793 1.216 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.381 8.333 2.412 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.161 9.036 3.533 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.019 7.157 2.481 1.00 0.00 N ATOM 0 H ARG A 17 1.954 13.587 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.422 12.349 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.730 11.276 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.447 11.777 0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.745 10.208 -1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.740 9.341 -0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.608 10.108 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.918 10.893 1.283 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.170 8.216 0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.679 9.934 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.476 8.673 4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.192 6.620 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.331 6.798 3.383 1.00 0.00 H new ATOM 230 N ALA A 18 -0.654 13.890 0.770 1.00 0.00 N ATOM 231 CA ALA A 18 -1.593 14.379 1.769 1.00 0.00 C ATOM 232 C ALA A 18 -2.611 15.305 1.105 1.00 0.00 C ATOM 233 O ALA A 18 -3.815 15.106 1.264 1.00 0.00 O ATOM 234 CB ALA A 18 -0.845 15.090 2.900 1.00 0.00 C ATOM 0 H ALA A 18 0.298 14.229 0.907 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.129 13.537 2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.560 15.450 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.154 14.393 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.288 15.934 2.493 1.00 0.00 H new ATOM 240 N ALA A 19 -2.130 16.306 0.353 1.00 0.00 N ATOM 241 CA ALA A 19 -2.998 17.242 -0.347 1.00 0.00 C ATOM 242 C ALA A 19 -3.797 16.538 -1.442 1.00 0.00 C ATOM 243 O ALA A 19 -4.850 17.041 -1.822 1.00 0.00 O ATOM 244 CB ALA A 19 -2.233 18.434 -0.929 1.00 0.00 C ATOM 0 H ALA A 19 -1.134 16.482 0.219 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.690 17.635 0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.929 19.099 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.737 18.976 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.487 18.076 -1.638 1.00 0.00 H new ATOM 250 N ALA A 20 -3.310 15.398 -1.957 1.00 0.00 N ATOM 251 CA ALA A 20 -4.010 14.639 -2.981 1.00 0.00 C ATOM 252 C ALA A 20 -5.139 13.830 -2.375 1.00 0.00 C ATOM 253 O ALA A 20 -6.217 13.763 -2.962 1.00 0.00 O ATOM 254 CB ALA A 20 -3.047 13.785 -3.808 1.00 0.00 C ATOM 0 H ALA A 20 -2.422 14.986 -1.670 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.462 15.344 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.607 13.233 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.317 14.430 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.530 13.083 -3.154 1.00 0.00 H new ATOM 260 N ASN A 21 -4.900 13.210 -1.218 1.00 0.00 N ATOM 261 CA ASN A 21 -5.940 12.465 -0.530 1.00 0.00 C ATOM 262 C ASN A 21 -6.972 13.484 -0.023 1.00 0.00 C ATOM 263 O ASN A 21 -8.127 13.125 0.223 1.00 0.00 O ATOM 264 CB ASN A 21 -5.337 11.660 0.628 1.00 0.00 C ATOM 265 CG ASN A 21 -4.444 10.509 0.161 1.00 0.00 C ATOM 266 OD1 ASN A 21 -4.096 10.402 -1.014 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.074 9.632 1.096 1.00 0.00 N ATOM 0 H ASN A 21 -3.997 13.212 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.419 11.751 -1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.755 12.329 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.143 11.259 1.242 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.482 8.839 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.383 9.754 2.060 1.00 0.00 H new ATOM 274 N ALA A 22 -6.561 14.763 0.106 1.00 0.00 N ATOM 275 CA ALA A 22 -7.444 15.804 0.606 1.00 0.00 C ATOM 276 C ALA A 22 -8.315 16.125 -0.589 1.00 0.00 C ATOM 277 O ALA A 22 -9.513 15.906 -0.521 1.00 0.00 O ATOM 278 CB ALA A 22 -6.689 17.014 1.147 1.00 0.00 C ATOM 0 H ALA A 22 -5.623 15.086 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.028 15.483 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.401 17.757 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.044 16.703 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.081 17.448 0.353 1.00 0.00 H new ATOM 284 N ALA A 23 -7.699 16.650 -1.655 1.00 0.00 N ATOM 285 CA ALA A 23 -8.340 16.958 -2.930 1.00 0.00 C ATOM 286 C ALA A 23 -9.347 15.872 -3.329 1.00 0.00 C ATOM 287 O ALA A 23 -10.452 16.200 -3.742 1.00 0.00 O ATOM 288 CB ALA A 23 -7.261 17.096 -4.007 1.00 0.00 C ATOM 0 H ALA A 23 -6.705 16.879 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.890 17.893 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.729 17.326 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.577 17.900 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.708 16.161 -4.090 1.00 0.00 H new ATOM 294 N CYS A 24 -8.975 14.590 -3.197 1.00 0.00 N ATOM 295 CA CYS A 24 -9.821 13.440 -3.500 1.00 0.00 C ATOM 296 C CYS A 24 -11.128 13.537 -2.710 1.00 0.00 C ATOM 297 O CYS A 24 -12.209 13.573 -3.297 1.00 0.00 O ATOM 298 CB CYS A 24 -9.089 12.150 -3.095 1.00 0.00 C ATOM 299 SG CYS A 24 -7.954 11.417 -4.300 1.00 0.00 S ATOM 0 H CYS A 24 -8.048 14.323 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.039 13.427 -4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.526 12.355 -2.185 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.841 11.402 -2.843 1.00 0.00 H new ATOM 304 N GLN A 25 -11.010 13.590 -1.378 1.00 0.00 N ATOM 305 CA GLN A 25 -12.143 13.661 -0.463 1.00 0.00 C ATOM 306 C GLN A 25 -12.967 14.960 -0.559 1.00 0.00 C ATOM 307 O GLN A 25 -14.191 14.931 -0.442 1.00 0.00 O ATOM 308 CB GLN A 25 -11.597 13.452 0.957 1.00 0.00 C ATOM 309 CG GLN A 25 -12.705 13.342 2.007 1.00 0.00 C ATOM 310 CD GLN A 25 -13.683 12.206 1.722 1.00 0.00 C ATOM 311 OE1 GLN A 25 -14.864 12.453 1.495 1.00 0.00 O ATOM 312 NE2 GLN A 25 -13.199 10.963 1.730 1.00 0.00 N ATOM 0 H GLN A 25 -10.107 13.584 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.852 12.881 -0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.991 12.547 0.979 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.939 14.282 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.255 13.190 2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.252 14.284 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.211 10.802 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.817 10.174 1.543 1.00 0.00 H new ATOM 321 N TYR A 26 -12.286 16.085 -0.788 1.00 0.00 N ATOM 322 CA TYR A 26 -12.783 17.453 -0.866 1.00 0.00 C ATOM 323 C TYR A 26 -13.297 17.890 -2.239 1.00 0.00 C ATOM 324 O TYR A 26 -13.886 18.961 -2.313 1.00 0.00 O ATOM 325 CB TYR A 26 -11.587 18.342 -0.485 1.00 0.00 C ATOM 326 CG TYR A 26 -11.825 19.715 0.111 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.358 19.838 1.408 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.499 20.873 -0.621 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.556 21.111 1.971 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.696 22.145 -0.058 1.00 0.00 C ATOM 331 CZ TYR A 26 -12.212 22.265 1.244 1.00 0.00 C ATOM 332 OH TYR A 26 -12.386 23.501 1.793 1.00 0.00 O ATOM 0 H TYR A 26 -11.277 16.054 -0.937 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.647 17.536 -0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.979 17.781 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.985 18.478 -1.383 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.615 18.953 1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.096 20.783 -1.619 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.973 21.203 2.963 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.451 23.031 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.096 24.186 1.155 1.00 0.00 H new ATOM 342 N TYR A 27 -13.087 17.114 -3.314 1.00 0.00 N ATOM 343 CA TYR A 27 -13.522 17.488 -4.660 1.00 0.00 C ATOM 344 C TYR A 27 -14.925 16.988 -5.000 1.00 0.00 C ATOM 345 O TYR A 27 -15.798 17.809 -5.266 1.00 0.00 O ATOM 346 CB TYR A 27 -12.479 17.038 -5.695 1.00 0.00 C ATOM 347 CG TYR A 27 -12.815 17.241 -7.167 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.463 18.411 -7.610 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.463 16.251 -8.108 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.778 18.581 -8.970 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.779 16.421 -9.467 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.446 17.580 -9.899 1.00 0.00 C ATOM 353 OH TYR A 27 -13.761 17.741 -11.217 1.00 0.00 O ATOM 0 H TYR A 27 -12.612 16.213 -3.270 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.594 18.575 -4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.549 17.566 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.285 15.977 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.720 19.183 -6.900 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.949 15.359 -7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.275 19.481 -9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.508 15.658 -10.182 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.460 16.958 -11.723 1.00 0.00 H new ATOM 363 N GLN A 28 -15.149 15.665 -5.007 1.00 0.00 N ATOM 364 CA GLN A 28 -16.452 15.094 -5.355 1.00 0.00 C ATOM 365 C GLN A 28 -16.896 13.940 -4.452 1.00 0.00 C ATOM 366 O GLN A 28 -18.053 13.532 -4.542 1.00 0.00 O ATOM 367 CB GLN A 28 -16.434 14.633 -6.822 1.00 0.00 C ATOM 368 CG GLN A 28 -16.330 15.813 -7.798 1.00 0.00 C ATOM 369 CD GLN A 28 -16.349 15.362 -9.257 1.00 0.00 C ATOM 370 OE1 GLN A 28 -17.248 15.729 -10.010 1.00 0.00 O ATOM 371 NE2 GLN A 28 -15.352 14.571 -9.663 1.00 0.00 N ATOM 0 H GLN A 28 -14.439 14.971 -4.774 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.183 15.888 -5.204 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.592 13.958 -6.979 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.341 14.066 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.157 16.501 -7.622 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.410 16.364 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.625 14.289 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.318 14.249 -10.630 1.00 0.00 H new ATOM 380 N ASN A 29 -16.023 13.413 -3.582 1.00 0.00 N ATOM 381 CA ASN A 29 -16.385 12.299 -2.715 1.00 0.00 C ATOM 382 C ASN A 29 -17.449 12.712 -1.695 1.00 0.00 C ATOM 383 O ASN A 29 -18.453 12.018 -1.543 1.00 0.00 O ATOM 384 CB ASN A 29 -15.141 11.762 -2.005 1.00 0.00 C ATOM 385 CG ASN A 29 -15.414 10.409 -1.350 1.00 0.00 C ATOM 386 OD1 ASN A 29 -15.162 9.324 -2.086 1.00 0.00 O flip ATOM 387 ND2 ASN A 29 -15.846 10.343 -0.201 1.00 0.00 N flip ATOM 0 H ASN A 29 -15.065 13.744 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.809 11.509 -3.335 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.325 11.663 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.816 12.476 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.025 11.198 0.326 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.026 9.434 0.225 1.00 0.00 H new ATOM 394 N ASP A 30 -17.225 13.844 -1.016 1.00 0.00 N ATOM 395 CA ASP A 30 -18.101 14.392 0.001 1.00 0.00 C ATOM 396 C ASP A 30 -17.566 15.773 0.371 1.00 0.00 C ATOM 397 O ASP A 30 -16.518 15.876 1.001 1.00 0.00 O ATOM 398 CB ASP A 30 -18.163 13.481 1.237 1.00 0.00 C ATOM 399 CG ASP A 30 -19.082 14.058 2.310 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.310 13.873 2.172 1.00 0.00 O ATOM 401 OD2 ASP A 30 -18.540 14.682 3.249 1.00 0.00 O ATOM 0 H ASP A 30 -16.396 14.417 -1.173 1.00 0.00 H new ATOM 0 HA ASP A 30 -19.118 14.466 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.518 12.493 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.161 13.351 1.646 1.00 0.00 H new ATOM 406 N ASP A 31 -18.302 16.805 -0.050 1.00 0.00 N ATOM 407 CA ASP A 31 -18.078 18.233 0.160 1.00 0.00 C ATOM 408 C ASP A 31 -17.214 18.861 -0.935 1.00 0.00 C ATOM 409 O ASP A 31 -16.548 18.163 -1.699 1.00 0.00 O ATOM 410 CB ASP A 31 -17.633 18.600 1.597 1.00 0.00 C ATOM 411 CG ASP A 31 -16.121 18.623 1.860 1.00 0.00 C ATOM 412 OD1 ASP A 31 -15.424 19.427 1.202 1.00 0.00 O ATOM 413 OD2 ASP A 31 -15.678 17.842 2.730 1.00 0.00 O ATOM 0 H ASP A 31 -19.148 16.644 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.060 18.697 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.036 19.583 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.089 17.890 2.287 1.00 0.00 H new ATOM 418 N THR A 32 -17.259 20.197 -0.990 1.00 0.00 N ATOM 419 CA THR A 32 -16.523 21.056 -1.909 1.00 0.00 C ATOM 420 C THR A 32 -15.991 22.266 -1.142 1.00 0.00 C ATOM 421 O THR A 32 -14.830 22.635 -1.310 1.00 0.00 O ATOM 422 CB THR A 32 -17.417 21.504 -3.079 1.00 0.00 C ATOM 423 OG1 THR A 32 -18.613 22.098 -2.617 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.767 20.341 -4.007 1.00 0.00 C ATOM 0 H THR A 32 -17.847 20.734 -0.353 1.00 0.00 H new ATOM 0 HA THR A 32 -15.688 20.497 -2.331 1.00 0.00 H new ATOM 0 HB THR A 32 -16.840 22.240 -3.639 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.159 22.373 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.399 20.701 -4.819 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.852 19.917 -4.420 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.300 19.575 -3.445 1.00 0.00 H new ATOM 432 N ALA A 33 -16.860 22.865 -0.313 1.00 0.00 N ATOM 433 CA ALA A 33 -16.632 24.031 0.531 1.00 0.00 C ATOM 434 C ALA A 33 -16.865 25.333 -0.235 1.00 0.00 C ATOM 435 O ALA A 33 -16.932 25.345 -1.464 1.00 0.00 O ATOM 436 CB ALA A 33 -15.262 23.999 1.211 1.00 0.00 C ATOM 0 H ALA A 33 -17.812 22.513 -0.213 1.00 0.00 H new ATOM 0 HA ALA A 33 -17.371 23.992 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.141 24.889 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.187 23.110 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.480 23.975 0.452 1.00 0.00 H new ATOM 442 N GLY A 34 -16.980 26.434 0.517 1.00 0.00 N ATOM 443 CA GLY A 34 -17.222 27.766 -0.006 1.00 0.00 C ATOM 444 C GLY A 34 -15.953 28.387 -0.583 1.00 0.00 C ATOM 445 O GLY A 34 -15.247 29.114 0.116 1.00 0.00 O ATOM 0 H GLY A 34 -16.904 26.413 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.988 27.719 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.610 28.404 0.788 1.00 0.00 H new ATOM 449 N SER A 35 -15.669 28.090 -1.858 1.00 0.00 N ATOM 450 CA SER A 35 -14.538 28.586 -2.611 1.00 0.00 C ATOM 451 C SER A 35 -15.134 29.052 -3.943 1.00 0.00 C ATOM 452 O SER A 35 -16.054 29.868 -3.931 1.00 0.00 O ATOM 453 CB SER A 35 -13.503 27.460 -2.726 1.00 0.00 C ATOM 454 OG SER A 35 -14.094 26.299 -3.277 1.00 0.00 O ATOM 0 H SER A 35 -16.259 27.465 -2.408 1.00 0.00 H new ATOM 0 HA SER A 35 -14.003 29.419 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.672 27.784 -3.352 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.092 27.234 -1.742 1.00 0.00 H new ATOM 0 HG SER A 35 -13.391 25.687 -3.581 1.00 0.00 H new ATOM 460 N SER A 36 -14.632 28.536 -5.070 1.00 0.00 N ATOM 461 CA SER A 36 -15.095 28.852 -6.418 1.00 0.00 C ATOM 462 C SER A 36 -14.316 28.023 -7.438 1.00 0.00 C ATOM 463 O SER A 36 -14.831 27.043 -7.973 1.00 0.00 O ATOM 464 CB SER A 36 -14.958 30.351 -6.745 1.00 0.00 C ATOM 465 OG SER A 36 -16.095 31.082 -6.343 1.00 0.00 O ATOM 0 H SER A 36 -13.865 27.863 -5.064 1.00 0.00 H new ATOM 0 HA SER A 36 -16.155 28.604 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.074 30.752 -6.248 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.806 30.477 -7.817 1.00 0.00 H new ATOM 0 HG SER A 36 -16.339 30.831 -5.428 1.00 0.00 H new ATOM 471 N THR A 37 -13.065 28.430 -7.685 1.00 0.00 N ATOM 472 CA THR A 37 -12.145 27.825 -8.640 1.00 0.00 C ATOM 473 C THR A 37 -11.261 26.724 -8.023 1.00 0.00 C ATOM 474 O THR A 37 -10.446 26.136 -8.730 1.00 0.00 O ATOM 475 CB THR A 37 -11.387 28.943 -9.397 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.192 28.481 -9.995 1.00 0.00 O ATOM 477 CG2 THR A 37 -11.086 30.181 -8.541 1.00 0.00 C ATOM 0 H THR A 37 -12.653 29.227 -7.199 1.00 0.00 H new ATOM 0 HA THR A 37 -12.713 27.269 -9.386 1.00 0.00 H new ATOM 0 HB THR A 37 -12.081 29.247 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.106 27.515 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.554 30.918 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.021 30.612 -8.183 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.469 29.893 -7.690 1.00 0.00 H new ATOM 485 N TYR A 38 -11.401 26.411 -6.725 1.00 0.00 N ATOM 486 CA TYR A 38 -10.614 25.361 -6.078 1.00 0.00 C ATOM 487 C TYR A 38 -11.422 24.790 -4.911 1.00 0.00 C ATOM 488 O TYR A 38 -11.509 25.448 -3.877 1.00 0.00 O ATOM 489 CB TYR A 38 -9.252 25.880 -5.574 1.00 0.00 C ATOM 490 CG TYR A 38 -8.491 26.773 -6.534 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.793 28.146 -6.541 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.504 26.270 -7.409 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.133 29.013 -7.420 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.842 27.143 -8.291 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.164 28.512 -8.306 1.00 0.00 C ATOM 496 OH TYR A 38 -6.529 29.356 -9.171 1.00 0.00 O ATOM 0 H TYR A 38 -12.060 26.878 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.406 24.586 -6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.414 26.430 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.625 25.022 -5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.539 28.535 -5.864 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.258 25.218 -7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.369 30.067 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.084 26.761 -8.959 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.889 28.849 -9.712 1.00 0.00 H new ATOM 506 N PRO A 39 -12.007 23.586 -5.026 1.00 0.00 N ATOM 507 CA PRO A 39 -11.970 22.683 -6.172 1.00 0.00 C ATOM 508 C PRO A 39 -12.806 23.165 -7.359 1.00 0.00 C ATOM 509 O PRO A 39 -13.760 23.921 -7.181 1.00 0.00 O ATOM 510 CB PRO A 39 -12.578 21.364 -5.678 1.00 0.00 C ATOM 511 CG PRO A 39 -12.639 21.492 -4.162 1.00 0.00 C ATOM 512 CD PRO A 39 -12.776 22.992 -3.949 1.00 0.00 C ATOM 0 HA PRO A 39 -10.941 22.604 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.571 21.206 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.966 20.513 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.485 20.946 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.740 21.098 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.820 23.304 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.390 23.291 -2.974 1.00 0.00 H new ATOM 520 N HIS A 40 -12.438 22.704 -8.564 1.00 0.00 N ATOM 521 CA HIS A 40 -13.115 22.989 -9.825 1.00 0.00 C ATOM 522 C HIS A 40 -12.502 22.151 -10.947 1.00 0.00 C ATOM 523 O HIS A 40 -11.391 21.638 -10.808 1.00 0.00 O ATOM 524 CB HIS A 40 -13.176 24.485 -10.184 1.00 0.00 C ATOM 525 CG HIS A 40 -12.065 25.025 -11.053 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.271 26.086 -11.923 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.741 24.690 -11.208 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.104 26.335 -12.538 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.130 25.512 -12.147 1.00 0.00 N ATOM 0 H HIS A 40 -11.626 22.098 -8.685 1.00 0.00 H new ATOM 0 HA HIS A 40 -14.158 22.701 -9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.124 24.675 -10.688 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.189 25.056 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.243 23.895 -10.672 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.968 27.117 -13.270 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.161 25.491 -12.464 1.00 0.00 H new ATOM 537 N THR A 41 -13.234 22.032 -12.061 1.00 0.00 N ATOM 538 CA THR A 41 -12.856 21.306 -13.245 1.00 0.00 C ATOM 539 C THR A 41 -11.720 22.039 -13.961 1.00 0.00 C ATOM 540 O THR A 41 -11.754 23.261 -14.096 1.00 0.00 O ATOM 541 CB THR A 41 -14.127 21.221 -14.097 1.00 0.00 C ATOM 542 OG1 THR A 41 -15.073 20.387 -13.458 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.831 20.679 -15.482 1.00 0.00 C ATOM 0 H THR A 41 -14.152 22.468 -12.149 1.00 0.00 H new ATOM 0 HA THR A 41 -12.480 20.306 -13.028 1.00 0.00 H new ATOM 0 HB THR A 41 -14.529 22.229 -14.204 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.885 20.336 -14.004 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.754 20.632 -16.059 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.121 21.335 -15.986 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.404 19.679 -15.398 1.00 0.00 H new ATOM 551 N TYR A 42 -10.720 21.274 -14.414 1.00 0.00 N ATOM 552 CA TYR A 42 -9.558 21.779 -15.132 1.00 0.00 C ATOM 553 C TYR A 42 -9.778 21.647 -16.640 1.00 0.00 C ATOM 554 O TYR A 42 -10.476 20.740 -17.093 1.00 0.00 O ATOM 555 CB TYR A 42 -8.339 20.969 -14.694 1.00 0.00 C ATOM 556 CG TYR A 42 -7.013 21.396 -15.292 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.540 22.703 -15.083 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.242 20.492 -16.048 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.308 23.107 -15.621 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.010 20.894 -16.587 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.541 22.202 -16.373 1.00 0.00 C ATOM 562 OH TYR A 42 -3.341 22.600 -16.883 1.00 0.00 O ATOM 0 H TYR A 42 -10.702 20.262 -14.285 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.401 22.834 -14.906 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.261 21.024 -13.608 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.511 19.923 -14.949 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.128 23.401 -14.505 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.600 19.487 -16.214 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.950 24.113 -15.457 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.422 20.198 -17.167 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.809 21.812 -17.120 1.00 0.00 H new ATOM 572 N ASN A 43 -9.170 22.554 -17.412 1.00 0.00 N ATOM 573 CA ASN A 43 -9.273 22.591 -18.865 1.00 0.00 C ATOM 574 C ASN A 43 -8.360 21.551 -19.518 1.00 0.00 C ATOM 575 O ASN A 43 -7.475 20.996 -18.868 1.00 0.00 O ATOM 576 CB ASN A 43 -8.898 23.993 -19.354 1.00 0.00 C ATOM 577 CG ASN A 43 -9.835 25.060 -18.796 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.434 25.865 -17.959 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.088 25.068 -19.260 1.00 0.00 N ATOM 0 H ASN A 43 -8.582 23.295 -17.031 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.299 22.354 -19.147 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.874 24.219 -19.058 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.928 24.018 -20.443 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.754 25.761 -18.919 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.379 24.381 -19.955 1.00 0.00 H new ATOM 586 N ASN A 44 -8.589 21.294 -20.814 1.00 0.00 N ATOM 587 CA ASN A 44 -7.806 20.349 -21.595 1.00 0.00 C ATOM 588 C ASN A 44 -7.947 20.648 -23.088 1.00 0.00 C ATOM 589 O ASN A 44 -8.879 20.166 -23.731 1.00 0.00 O ATOM 590 CB ASN A 44 -8.201 18.904 -21.255 1.00 0.00 C ATOM 591 CG ASN A 44 -7.259 17.899 -21.922 1.00 0.00 C ATOM 592 OD1 ASN A 44 -6.261 17.492 -21.331 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.570 17.500 -23.158 1.00 0.00 N ATOM 0 H ASN A 44 -9.332 21.745 -21.347 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.753 20.462 -21.336 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.180 18.764 -20.174 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.224 18.718 -21.581 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.970 16.834 -23.645 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.407 17.861 -23.615 1.00 0.00 H new ATOM 600 N TYR A 45 -7.020 21.447 -23.632 1.00 0.00 N ATOM 601 CA TYR A 45 -6.980 21.815 -25.043 1.00 0.00 C ATOM 602 C TYR A 45 -5.607 22.397 -25.391 1.00 0.00 C ATOM 603 O TYR A 45 -4.934 21.886 -26.285 1.00 0.00 O ATOM 604 CB TYR A 45 -8.145 22.736 -25.448 1.00 0.00 C ATOM 605 CG TYR A 45 -8.217 24.095 -24.778 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.890 24.252 -23.552 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.619 25.213 -25.392 1.00 0.00 C ATOM 608 CE1 TYR A 45 -8.961 25.518 -22.945 1.00 0.00 C ATOM 609 CE2 TYR A 45 -7.672 26.474 -24.773 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.343 26.627 -23.548 1.00 0.00 C ATOM 611 OH TYR A 45 -8.404 27.854 -22.955 1.00 0.00 O ATOM 0 H TYR A 45 -6.264 21.861 -23.088 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.120 20.911 -25.636 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.094 22.892 -26.525 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.078 22.210 -25.246 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.352 23.399 -23.077 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.118 25.101 -26.342 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.492 25.639 -22.012 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.197 27.325 -25.239 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.923 28.507 -23.505 1.00 0.00 H new ATOM 621 N GLU A 46 -5.194 23.454 -24.680 1.00 0.00 N ATOM 622 CA GLU A 46 -3.919 24.130 -24.862 1.00 0.00 C ATOM 623 C GLU A 46 -3.679 25.038 -23.656 1.00 0.00 C ATOM 624 O GLU A 46 -4.582 25.764 -23.238 1.00 0.00 O ATOM 625 CB GLU A 46 -3.926 24.942 -26.168 1.00 0.00 C ATOM 626 CG GLU A 46 -2.573 25.618 -26.426 1.00 0.00 C ATOM 627 CD GLU A 46 -2.573 26.381 -27.748 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.564 25.700 -28.797 1.00 0.00 O ATOM 629 OE2 GLU A 46 -2.581 27.630 -27.689 1.00 0.00 O ATOM 0 H GLU A 46 -5.761 23.869 -23.941 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.114 23.399 -24.934 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.169 24.285 -27.003 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.708 25.700 -26.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.345 26.303 -25.609 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.785 24.865 -26.439 1.00 0.00 H new ATOM 636 N GLY A 47 -2.460 24.992 -23.106 1.00 0.00 N ATOM 637 CA GLY A 47 -2.053 25.796 -21.968 1.00 0.00 C ATOM 638 C GLY A 47 -0.899 25.111 -21.246 1.00 0.00 C ATOM 639 O GLY A 47 0.263 25.439 -21.478 1.00 0.00 O ATOM 0 H GLY A 47 -1.721 24.380 -23.453 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.749 26.788 -22.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.893 25.931 -21.286 1.00 0.00 H new ATOM 643 N PHE A 48 -1.237 24.164 -20.364 1.00 0.00 N ATOM 644 CA PHE A 48 -0.287 23.399 -19.568 1.00 0.00 C ATOM 645 C PHE A 48 -0.984 22.118 -19.102 1.00 0.00 C ATOM 646 O PHE A 48 -0.903 21.733 -17.938 1.00 0.00 O ATOM 647 CB PHE A 48 0.200 24.273 -18.395 1.00 0.00 C ATOM 648 CG PHE A 48 1.664 24.084 -18.064 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.105 22.920 -17.407 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.590 25.081 -18.428 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.472 22.757 -17.117 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.953 24.917 -18.137 1.00 0.00 C ATOM 653 CZ PHE A 48 4.395 23.754 -17.486 1.00 0.00 C ATOM 0 H PHE A 48 -2.207 23.906 -20.184 1.00 0.00 H new ATOM 0 HA PHE A 48 0.593 23.115 -20.145 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.023 25.321 -18.636 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.396 24.045 -17.511 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.397 22.155 -17.126 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.250 25.974 -18.932 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.814 21.866 -16.611 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.661 25.684 -18.413 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.445 23.624 -17.268 1.00 0.00 H new ATOM 663 N ASP A 49 -1.665 21.446 -20.035 1.00 0.00 N ATOM 664 CA ASP A 49 -2.426 20.241 -19.762 1.00 0.00 C ATOM 665 C ASP A 49 -1.571 18.992 -19.553 1.00 0.00 C ATOM 666 O ASP A 49 -0.387 18.972 -19.889 1.00 0.00 O ATOM 667 CB ASP A 49 -3.480 20.058 -20.860 1.00 0.00 C ATOM 668 CG ASP A 49 -4.301 21.334 -21.058 1.00 0.00 C ATOM 669 OD1 ASP A 49 -4.842 21.832 -20.047 1.00 0.00 O ATOM 670 OD2 ASP A 49 -4.371 21.794 -22.219 1.00 0.00 O ATOM 0 H ASP A 49 -1.698 21.735 -21.013 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.922 20.374 -18.801 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.991 19.789 -21.796 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.143 19.233 -20.598 1.00 0.00 H new ATOM 675 N PHE A 50 -2.204 17.957 -18.983 1.00 0.00 N ATOM 676 CA PHE A 50 -1.600 16.672 -18.657 1.00 0.00 C ATOM 677 C PHE A 50 -2.469 15.563 -19.263 1.00 0.00 C ATOM 678 O PHE A 50 -3.442 15.160 -18.633 1.00 0.00 O ATOM 679 CB PHE A 50 -1.489 16.545 -17.123 1.00 0.00 C ATOM 680 CG PHE A 50 -1.114 17.845 -16.440 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.227 18.268 -16.403 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.118 18.639 -15.852 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.562 19.484 -15.782 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.780 19.852 -15.234 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.445 20.279 -15.207 1.00 0.00 C ATOM 0 H PHE A 50 -3.191 18.001 -18.729 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.595 16.587 -19.071 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.441 16.195 -16.724 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.744 15.787 -16.881 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.998 17.659 -16.851 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.148 18.314 -15.877 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.592 19.807 -15.747 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.549 20.458 -14.778 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.190 21.220 -14.744 1.00 0.00 H new ATOM 695 N PRO A 51 -2.159 15.063 -20.472 1.00 0.00 N ATOM 696 CA PRO A 51 -2.934 14.022 -21.131 1.00 0.00 C ATOM 697 C PRO A 51 -2.704 12.661 -20.464 1.00 0.00 C ATOM 698 O PRO A 51 -1.874 11.874 -20.915 1.00 0.00 O ATOM 699 CB PRO A 51 -2.476 14.055 -22.593 1.00 0.00 C ATOM 700 CG PRO A 51 -1.016 14.488 -22.481 1.00 0.00 C ATOM 701 CD PRO A 51 -1.042 15.472 -21.311 1.00 0.00 C ATOM 0 HA PRO A 51 -4.009 14.187 -21.058 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.573 13.079 -23.069 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.062 14.758 -23.185 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.358 13.642 -22.283 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.663 14.960 -23.398 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -0.105 15.443 -20.755 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.172 16.495 -21.664 1.00 0.00 H new ATOM 709 N VAL A 52 -3.452 12.400 -19.385 1.00 0.00 N ATOM 710 CA VAL A 52 -3.405 11.168 -18.605 1.00 0.00 C ATOM 711 C VAL A 52 -4.730 10.418 -18.768 1.00 0.00 C ATOM 712 O VAL A 52 -4.724 9.223 -19.061 1.00 0.00 O ATOM 713 CB VAL A 52 -3.097 11.493 -17.132 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.074 10.221 -16.274 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.744 12.205 -16.996 1.00 0.00 C ATOM 0 H VAL A 52 -4.130 13.069 -19.022 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.606 10.520 -18.966 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.892 12.150 -16.779 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.854 10.484 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.046 9.730 -16.325 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.306 9.544 -16.648 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.551 12.423 -15.945 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.954 11.562 -17.384 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.764 13.136 -17.562 1.00 0.00 H new ATOM 725 N ASP A 53 -5.858 11.117 -18.584 1.00 0.00 N ATOM 726 CA ASP A 53 -7.193 10.546 -18.693 1.00 0.00 C ATOM 727 C ASP A 53 -8.183 11.648 -19.063 1.00 0.00 C ATOM 728 O ASP A 53 -8.647 11.702 -20.202 1.00 0.00 O ATOM 729 CB ASP A 53 -7.568 9.836 -17.382 1.00 0.00 C ATOM 730 CG ASP A 53 -9.040 9.431 -17.344 1.00 0.00 C ATOM 731 OD1 ASP A 53 -9.427 8.605 -18.198 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.753 9.961 -16.465 1.00 0.00 O ATOM 0 H ASP A 53 -5.861 12.110 -18.352 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.221 9.795 -19.482 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.946 8.949 -17.261 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.352 10.494 -16.540 1.00 0.00 H new ATOM 737 N GLY A 54 -8.511 12.516 -18.098 1.00 0.00 N ATOM 738 CA GLY A 54 -9.444 13.614 -18.277 1.00 0.00 C ATOM 739 C GLY A 54 -10.874 13.179 -17.947 1.00 0.00 C ATOM 740 O GLY A 54 -11.259 12.060 -18.289 1.00 0.00 O ATOM 0 H GLY A 54 -8.123 12.466 -17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.157 14.448 -17.636 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.397 13.972 -19.306 1.00 0.00 H new ATOM 744 N PRO A 55 -11.675 14.032 -17.284 1.00 0.00 N ATOM 745 CA PRO A 55 -11.334 15.371 -16.817 1.00 0.00 C ATOM 746 C PRO A 55 -10.388 15.336 -15.609 1.00 0.00 C ATOM 747 O PRO A 55 -10.057 14.270 -15.087 1.00 0.00 O ATOM 748 CB PRO A 55 -12.677 16.020 -16.465 1.00 0.00 C ATOM 749 CG PRO A 55 -13.519 14.834 -16.014 1.00 0.00 C ATOM 750 CD PRO A 55 -13.052 13.716 -16.946 1.00 0.00 C ATOM 0 HA PRO A 55 -10.795 15.936 -17.578 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.572 16.764 -15.676 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.119 16.526 -17.323 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.343 14.588 -14.967 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.586 15.031 -16.121 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.121 12.744 -16.457 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.673 13.668 -17.840 1.00 0.00 H new ATOM 758 N TYR A 56 -9.951 16.528 -15.185 1.00 0.00 N ATOM 759 CA TYR A 56 -9.037 16.742 -14.070 1.00 0.00 C ATOM 760 C TYR A 56 -9.589 17.867 -13.190 1.00 0.00 C ATOM 761 O TYR A 56 -10.694 18.357 -13.427 1.00 0.00 O ATOM 762 CB TYR A 56 -7.620 17.051 -14.598 1.00 0.00 C ATOM 763 CG TYR A 56 -7.221 16.372 -15.895 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.638 16.906 -17.131 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.429 15.212 -15.870 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.281 16.270 -18.331 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.073 14.578 -17.072 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.500 15.102 -18.303 1.00 0.00 C ATOM 769 OH TYR A 56 -6.160 14.473 -19.466 1.00 0.00 O ATOM 0 H TYR A 56 -10.239 17.400 -15.630 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.958 15.841 -13.461 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.534 18.129 -14.736 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.900 16.770 -13.829 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.234 17.807 -17.155 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.094 14.807 -14.926 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.607 16.679 -19.276 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.468 13.684 -17.049 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.094 15.133 -20.188 1.00 0.00 H new ATOM 779 N GLN A 57 -8.821 18.288 -12.178 1.00 0.00 N ATOM 780 CA GLN A 57 -9.234 19.333 -11.251 1.00 0.00 C ATOM 781 C GLN A 57 -8.040 20.005 -10.579 1.00 0.00 C ATOM 782 O GLN A 57 -7.033 19.351 -10.306 1.00 0.00 O ATOM 783 CB GLN A 57 -10.186 18.731 -10.210 1.00 0.00 C ATOM 784 CG GLN A 57 -9.510 17.653 -9.343 1.00 0.00 C ATOM 785 CD GLN A 57 -9.365 18.064 -7.878 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.126 19.228 -7.566 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.507 17.096 -6.971 1.00 0.00 N ATOM 0 H GLN A 57 -7.894 17.909 -11.984 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.751 20.111 -11.812 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.564 19.525 -9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.047 18.296 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.091 16.733 -9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.524 17.433 -9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.705 16.141 -7.271 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.417 17.311 -5.978 1.00 0.00 H new ATOM 796 N GLU A 58 -8.175 21.313 -10.307 1.00 0.00 N ATOM 797 CA GLU A 58 -7.118 22.102 -9.681 1.00 0.00 C ATOM 798 C GLU A 58 -7.247 22.066 -8.162 1.00 0.00 C ATOM 799 O GLU A 58 -8.357 22.058 -7.632 1.00 0.00 O ATOM 800 CB GLU A 58 -7.130 23.557 -10.165 1.00 0.00 C ATOM 801 CG GLU A 58 -6.922 23.677 -11.680 1.00 0.00 C ATOM 802 CD GLU A 58 -6.689 25.125 -12.117 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.844 25.791 -11.480 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.351 25.545 -13.090 1.00 0.00 O ATOM 0 H GLU A 58 -9.019 21.846 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.168 21.654 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.080 24.018 -9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.348 24.114 -9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.069 23.067 -11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.794 23.279 -12.198 1.00 0.00 H new ATOM 811 N PHE A 59 -6.103 22.058 -7.468 1.00 0.00 N ATOM 812 CA PHE A 59 -6.042 22.013 -6.019 1.00 0.00 C ATOM 813 C PHE A 59 -4.725 22.657 -5.596 1.00 0.00 C ATOM 814 O PHE A 59 -3.668 22.079 -5.829 1.00 0.00 O ATOM 815 CB PHE A 59 -6.117 20.560 -5.553 1.00 0.00 C ATOM 816 CG PHE A 59 -6.281 20.468 -4.054 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.168 20.589 -3.198 1.00 0.00 C ATOM 818 CD2 PHE A 59 -7.564 20.271 -3.514 1.00 0.00 C ATOM 819 CE1 PHE A 59 -5.342 20.512 -1.807 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.724 20.172 -2.126 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.624 20.292 -1.279 1.00 0.00 C ATOM 0 H PHE A 59 -5.185 22.083 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.876 22.551 -5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.954 20.062 -6.043 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.212 20.033 -5.854 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.182 20.741 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.422 20.196 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.494 20.621 -1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.706 20.002 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.759 20.215 -0.210 1.00 0.00 H new ATOM 831 N PRO A 60 -4.736 23.835 -4.963 1.00 0.00 N ATOM 832 CA PRO A 60 -3.520 24.505 -4.586 1.00 0.00 C ATOM 833 C PRO A 60 -2.926 23.996 -3.271 1.00 0.00 C ATOM 834 O PRO A 60 -3.653 23.552 -2.385 1.00 0.00 O ATOM 835 CB PRO A 60 -3.896 25.978 -4.638 1.00 0.00 C ATOM 836 CG PRO A 60 -5.328 25.976 -4.101 1.00 0.00 C ATOM 837 CD PRO A 60 -5.883 24.628 -4.573 1.00 0.00 C ATOM 0 HA PRO A 60 -2.683 24.303 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.233 26.587 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.844 26.374 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.350 26.061 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.907 26.810 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.443 24.137 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.568 24.760 -5.410 1.00 0.00 H new ATOM 845 N ILE A 61 -1.591 24.047 -3.165 1.00 0.00 N ATOM 846 CA ILE A 61 -0.811 23.637 -2.007 1.00 0.00 C ATOM 847 C ILE A 61 -0.260 24.823 -1.258 1.00 0.00 C ATOM 848 O ILE A 61 -0.480 25.993 -1.569 1.00 0.00 O ATOM 849 CB ILE A 61 0.305 22.675 -2.429 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.122 21.824 -1.433 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.172 23.241 -3.549 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.489 20.478 -2.064 1.00 0.00 C ATOM 0 H ILE A 61 -1.005 24.393 -3.925 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.476 23.111 -1.322 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.356 21.875 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.028 22.358 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.544 21.662 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.947 22.520 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.553 23.440 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.637 24.169 -3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.065 19.887 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.579 19.940 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.085 20.647 -2.961 1.00 0.00 H new ATOM 864 N LYS A 62 0.481 24.405 -0.250 1.00 0.00 N ATOM 865 CA LYS A 62 1.172 25.262 0.708 1.00 0.00 C ATOM 866 C LYS A 62 2.307 24.544 1.445 1.00 0.00 C ATOM 867 O LYS A 62 2.334 23.315 1.521 1.00 0.00 O ATOM 868 CB LYS A 62 0.164 25.939 1.658 1.00 0.00 C ATOM 869 CG LYS A 62 0.483 27.421 1.916 1.00 0.00 C ATOM 870 CD LYS A 62 0.247 28.305 0.680 1.00 0.00 C ATOM 871 CE LYS A 62 0.593 29.767 0.979 1.00 0.00 C ATOM 872 NZ LYS A 62 0.399 30.615 -0.210 1.00 0.00 N ATOM 0 H LYS A 62 0.628 23.413 -0.064 1.00 0.00 H new ATOM 0 HA LYS A 62 1.667 26.052 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.837 25.857 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.153 25.405 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.134 27.783 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.522 27.515 2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.855 27.946 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.795 28.230 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.031 30.132 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.628 29.837 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.641 31.599 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.013 30.280 -0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.594 30.565 -0.514 1.00 0.00 H new ATOM 886 N SER A 63 3.237 25.339 1.996 1.00 0.00 N ATOM 887 CA SER A 63 4.426 24.909 2.723 1.00 0.00 C ATOM 888 C SER A 63 4.131 24.770 4.217 1.00 0.00 C ATOM 889 O SER A 63 4.735 25.447 5.048 1.00 0.00 O ATOM 890 CB SER A 63 5.567 25.904 2.458 1.00 0.00 C ATOM 891 OG SER A 63 5.183 27.209 2.838 1.00 0.00 O ATOM 0 H SER A 63 3.169 26.355 1.939 1.00 0.00 H new ATOM 0 HA SER A 63 4.733 23.925 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.456 25.604 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.832 25.890 1.401 1.00 0.00 H new ATOM 0 HG SER A 63 4.977 27.223 3.796 1.00 0.00 H new ATOM 897 N GLY A 64 3.187 23.887 4.548 1.00 0.00 N ATOM 898 CA GLY A 64 2.791 23.615 5.918 1.00 0.00 C ATOM 899 C GLY A 64 1.794 22.461 5.951 1.00 0.00 C ATOM 900 O GLY A 64 2.003 21.478 6.659 1.00 0.00 O ATOM 0 H GLY A 64 2.674 23.337 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.667 23.367 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.344 24.506 6.360 1.00 0.00 H new ATOM 904 N GLY A 65 0.714 22.592 5.174 1.00 0.00 N ATOM 905 CA GLY A 65 -0.345 21.605 5.083 1.00 0.00 C ATOM 906 C GLY A 65 -1.128 21.806 3.791 1.00 0.00 C ATOM 907 O GLY A 65 -0.595 22.299 2.797 1.00 0.00 O ATOM 0 H GLY A 65 0.557 23.407 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.078 20.601 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.012 21.693 5.941 1.00 0.00 H new ATOM 911 N VAL A 66 -2.405 21.415 3.828 1.00 0.00 N ATOM 912 CA VAL A 66 -3.340 21.530 2.721 1.00 0.00 C ATOM 913 C VAL A 66 -3.718 23.011 2.533 1.00 0.00 C ATOM 914 O VAL A 66 -3.453 23.830 3.415 1.00 0.00 O ATOM 915 CB VAL A 66 -4.527 20.592 3.023 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.468 21.164 4.091 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.323 20.239 1.768 1.00 0.00 C ATOM 0 H VAL A 66 -2.823 20.997 4.659 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.916 21.216 1.767 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.082 19.677 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.286 20.466 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.916 21.317 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.871 22.117 3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.147 19.577 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.720 21.150 1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.671 19.737 1.053 1.00 0.00 H new ATOM 927 N TYR A 67 -4.324 23.365 1.391 1.00 0.00 N ATOM 928 CA TYR A 67 -4.718 24.735 1.071 1.00 0.00 C ATOM 929 C TYR A 67 -5.544 25.407 2.172 1.00 0.00 C ATOM 930 O TYR A 67 -6.383 24.772 2.810 1.00 0.00 O ATOM 931 CB TYR A 67 -5.432 24.792 -0.293 1.00 0.00 C ATOM 932 CG TYR A 67 -6.744 25.556 -0.343 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.953 24.892 -0.063 1.00 0.00 C ATOM 934 CD2 TYR A 67 -6.759 26.928 -0.660 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.170 25.595 -0.097 1.00 0.00 C ATOM 936 CE2 TYR A 67 -7.976 27.629 -0.701 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.182 26.964 -0.419 1.00 0.00 C ATOM 938 OH TYR A 67 -10.363 27.647 -0.453 1.00 0.00 O ATOM 0 H TYR A 67 -4.555 22.695 0.657 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.798 25.315 1.005 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.750 25.239 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.620 23.770 -0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.946 23.839 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.833 27.442 -0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.095 25.084 0.124 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.985 28.680 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.193 28.582 -0.691 1.00 0.00 H new ATOM 948 N THR A 68 -5.281 26.704 2.372 1.00 0.00 N ATOM 949 CA THR A 68 -5.918 27.580 3.324 1.00 0.00 C ATOM 950 C THR A 68 -6.609 28.695 2.531 1.00 0.00 C ATOM 951 O THR A 68 -7.815 28.892 2.676 1.00 0.00 O ATOM 952 CB THR A 68 -4.808 28.089 4.253 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.485 27.083 5.191 1.00 0.00 O ATOM 954 CG2 THR A 68 -5.217 29.362 4.978 1.00 0.00 C ATOM 0 H THR A 68 -4.566 27.188 1.829 1.00 0.00 H new ATOM 0 HA THR A 68 -6.681 27.098 3.935 1.00 0.00 H new ATOM 0 HB THR A 68 -3.936 28.325 3.642 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.775 27.405 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.404 29.689 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.436 30.142 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.105 29.169 5.580 1.00 0.00 H new ATOM 962 N GLY A 69 -5.842 29.411 1.695 1.00 0.00 N ATOM 963 CA GLY A 69 -6.320 30.499 0.854 1.00 0.00 C ATOM 964 C GLY A 69 -5.886 31.860 1.401 1.00 0.00 C ATOM 965 O GLY A 69 -4.910 31.959 2.143 1.00 0.00 O ATOM 0 H GLY A 69 -4.843 29.237 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.937 30.373 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.407 30.461 0.790 1.00 0.00 H new ATOM 969 N GLY A 70 -6.620 32.911 1.014 1.00 0.00 N ATOM 970 CA GLY A 70 -6.369 34.285 1.425 1.00 0.00 C ATOM 971 C GLY A 70 -5.126 34.874 0.755 1.00 0.00 C ATOM 972 O GLY A 70 -4.398 35.642 1.382 1.00 0.00 O ATOM 0 H GLY A 70 -7.423 32.820 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.236 34.899 1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.247 34.322 2.508 1.00 0.00 H new ATOM 976 N SER A 71 -4.890 34.512 -0.513 1.00 0.00 N ATOM 977 CA SER A 71 -3.773 34.966 -1.334 1.00 0.00 C ATOM 978 C SER A 71 -4.126 34.718 -2.806 1.00 0.00 C ATOM 979 O SER A 71 -4.970 33.864 -3.080 1.00 0.00 O ATOM 980 CB SER A 71 -2.503 34.178 -0.977 1.00 0.00 C ATOM 981 OG SER A 71 -2.033 34.492 0.315 1.00 0.00 O ATOM 0 H SER A 71 -5.503 33.866 -1.011 1.00 0.00 H new ATOM 0 HA SER A 71 -3.591 36.026 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.710 33.110 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.724 34.394 -1.709 1.00 0.00 H new ATOM 0 HG SER A 71 -2.699 35.038 0.782 1.00 0.00 H new ATOM 987 N PRO A 72 -3.496 35.432 -3.762 1.00 0.00 N ATOM 988 CA PRO A 72 -3.585 35.135 -5.187 1.00 0.00 C ATOM 989 C PRO A 72 -3.417 33.639 -5.470 1.00 0.00 C ATOM 990 O PRO A 72 -4.309 33.029 -6.056 1.00 0.00 O ATOM 991 CB PRO A 72 -2.513 35.996 -5.864 1.00 0.00 C ATOM 992 CG PRO A 72 -2.442 37.207 -4.936 1.00 0.00 C ATOM 993 CD PRO A 72 -2.643 36.591 -3.551 1.00 0.00 C ATOM 0 HA PRO A 72 -4.571 35.374 -5.584 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.557 35.478 -5.931 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.796 36.276 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.483 37.720 -5.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.215 37.939 -5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.690 36.302 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.109 37.302 -2.869 1.00 0.00 H new ATOM 1001 N GLY A 73 -2.280 33.055 -5.065 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.999 31.644 -5.241 1.00 0.00 C ATOM 1003 C GLY A 73 -1.146 31.466 -6.486 1.00 0.00 C ATOM 1004 O GLY A 73 -1.360 32.151 -7.487 1.00 0.00 O ATOM 0 H GLY A 73 -1.528 33.565 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.479 31.251 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.929 31.083 -5.337 1.00 0.00 H new ATOM 1008 N ALA A 74 -0.183 30.543 -6.420 1.00 0.00 N ATOM 1009 CA ALA A 74 0.710 30.276 -7.531 1.00 0.00 C ATOM 1010 C ALA A 74 1.148 28.827 -7.580 1.00 0.00 C ATOM 1011 O ALA A 74 1.214 28.297 -8.676 1.00 0.00 O ATOM 1012 CB ALA A 74 1.937 31.168 -7.475 1.00 0.00 C ATOM 0 H ALA A 74 -0.008 29.967 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 74 0.144 30.493 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.588 30.945 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.630 32.213 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.476 30.988 -6.545 1.00 0.00 H new ATOM 1018 N ASP A 75 1.456 28.200 -6.436 1.00 0.00 N ATOM 1019 CA ASP A 75 1.875 26.807 -6.357 1.00 0.00 C ATOM 1020 C ASP A 75 0.642 25.914 -6.228 1.00 0.00 C ATOM 1021 O ASP A 75 -0.118 26.058 -5.268 1.00 0.00 O ATOM 1022 CB ASP A 75 2.786 26.618 -5.143 1.00 0.00 C ATOM 1023 CG ASP A 75 4.118 27.351 -5.287 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.102 28.597 -5.190 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.135 26.653 -5.486 1.00 0.00 O ATOM 0 H ASP A 75 1.418 28.661 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 75 2.422 26.535 -7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.274 26.976 -4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.975 25.554 -4.998 1.00 0.00 H new ATOM 1030 N ARG A 76 0.442 24.989 -7.181 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.717 24.112 -7.145 1.00 0.00 C ATOM 1032 C ARG A 76 -0.544 22.777 -7.858 1.00 0.00 C ATOM 1033 O ARG A 76 0.047 22.699 -8.935 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.955 24.859 -7.661 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.897 25.327 -9.121 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.156 26.832 -9.262 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.264 27.304 -8.417 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.413 28.569 -7.988 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -2.646 29.556 -8.470 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.331 28.854 -7.056 1.00 0.00 N ATOM 0 H ARG A 76 1.066 24.838 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.849 23.842 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.822 24.210 -7.542 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.120 25.730 -7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.918 25.089 -9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.635 24.778 -9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.249 27.378 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.377 27.061 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.969 26.623 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.936 29.353 -9.173 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.772 30.511 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.916 28.112 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.445 29.814 -6.729 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.071 21.729 -7.209 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.074 20.368 -7.708 1.00 0.00 C ATOM 1056 C VAL A 77 -2.381 20.229 -8.487 1.00 0.00 C ATOM 1057 O VAL A 77 -3.367 20.902 -8.188 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.937 19.318 -6.589 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.395 19.468 -5.846 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.075 19.343 -5.562 1.00 0.00 C ATOM 0 H VAL A 77 -1.517 21.820 -6.296 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.208 20.180 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.983 18.359 -7.105 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.462 18.713 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.219 19.337 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.453 20.461 -5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.903 18.574 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.109 20.320 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.023 19.153 -6.065 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.397 19.365 -9.498 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.568 19.163 -10.335 1.00 0.00 C ATOM 1072 C VAL A 78 -3.710 17.652 -10.514 1.00 0.00 C ATOM 1073 O VAL A 78 -2.814 17.012 -11.064 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.374 19.992 -11.619 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.530 19.797 -12.607 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.253 21.494 -11.266 1.00 0.00 C ATOM 0 H VAL A 78 -1.597 18.787 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.510 19.513 -9.914 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.458 19.643 -12.096 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.353 20.399 -13.498 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.596 18.746 -12.887 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.465 20.107 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.116 22.073 -12.180 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.161 21.823 -10.761 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.397 21.645 -10.609 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.833 17.095 -10.034 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.119 15.663 -10.075 1.00 0.00 C ATOM 1088 C ILE A 79 -6.234 15.325 -11.066 1.00 0.00 C ATOM 1089 O ILE A 79 -6.984 16.199 -11.489 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.420 15.125 -8.657 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.828 15.454 -8.125 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.366 15.615 -7.653 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.185 14.578 -6.914 1.00 0.00 C ATOM 0 H ILE A 79 -5.577 17.642 -9.600 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.225 15.158 -10.440 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.379 14.040 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.876 16.506 -7.843 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.563 15.302 -8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.598 15.224 -6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.381 15.264 -7.960 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.370 16.705 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.184 14.834 -6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.161 13.528 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.464 14.750 -6.115 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.336 14.036 -11.412 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.322 13.462 -12.312 1.00 0.00 C ATOM 1107 C ASN A 80 -8.608 13.303 -11.511 1.00 0.00 C ATOM 1108 O ASN A 80 -8.572 13.232 -10.281 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.863 12.086 -12.824 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.660 12.166 -13.761 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.826 12.144 -14.978 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.450 12.247 -13.205 1.00 0.00 N ATOM 0 H ASN A 80 -5.693 13.333 -11.047 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.464 14.107 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.611 11.454 -11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.690 11.604 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.620 12.293 -13.795 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.355 12.263 -12.190 1.00 0.00 H new ATOM 1119 N THR A 81 -9.745 13.232 -12.207 1.00 0.00 N ATOM 1120 CA THR A 81 -11.039 13.124 -11.557 1.00 0.00 C ATOM 1121 C THR A 81 -11.316 11.894 -10.718 1.00 0.00 C ATOM 1122 O THR A 81 -12.320 11.880 -10.005 1.00 0.00 O ATOM 1123 CB THR A 81 -12.170 13.492 -12.524 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.374 13.761 -11.837 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.392 12.333 -13.493 1.00 0.00 C ATOM 0 H THR A 81 -9.788 13.248 -13.226 1.00 0.00 H new ATOM 0 HA THR A 81 -10.994 13.874 -10.767 1.00 0.00 H new ATOM 0 HB THR A 81 -11.880 14.394 -13.063 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.402 13.238 -11.009 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.195 12.586 -14.185 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.476 12.146 -14.053 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.664 11.438 -12.933 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.459 10.876 -10.772 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.687 9.722 -9.945 1.00 0.00 C ATOM 1135 C ASN A 82 -10.025 10.111 -8.625 1.00 0.00 C ATOM 1136 O ASN A 82 -10.683 10.535 -7.678 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.102 8.468 -10.620 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.091 7.266 -9.678 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.027 6.791 -9.285 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.278 6.770 -9.317 1.00 0.00 N ATOM 0 H ASN A 82 -9.629 10.837 -11.364 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.733 9.461 -9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.687 8.228 -11.508 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.086 8.676 -10.954 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.326 5.966 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.136 7.196 -9.667 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.706 9.948 -8.619 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.784 10.196 -7.520 1.00 0.00 C ATOM 1149 C CYS A 83 -6.299 10.265 -7.906 1.00 0.00 C ATOM 1150 O CYS A 83 -5.483 10.587 -7.044 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.024 9.203 -6.371 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.052 9.854 -5.029 1.00 0.00 S ATOM 0 H CYS A 83 -8.217 9.612 -9.449 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.016 11.206 -7.181 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.496 8.307 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.061 8.899 -5.961 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.922 9.992 -9.166 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.512 9.951 -9.548 1.00 0.00 C ATOM 1159 C GLU A 84 -3.890 11.320 -9.765 1.00 0.00 C ATOM 1160 O GLU A 84 -4.538 12.225 -10.263 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.354 9.104 -10.819 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.843 7.665 -10.616 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.633 6.838 -11.881 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -5.546 6.867 -12.735 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.562 6.198 -11.976 1.00 0.00 O ATOM 0 H GLU A 84 -6.572 9.799 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.977 9.505 -8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.913 9.565 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.306 9.092 -11.118 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.307 7.208 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.900 7.669 -10.350 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.618 11.460 -9.383 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.851 12.686 -9.533 1.00 0.00 C ATOM 1174 C TYR A 85 -1.568 12.873 -11.027 1.00 0.00 C ATOM 1175 O TYR A 85 -1.018 11.970 -11.658 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.571 12.539 -8.696 1.00 0.00 C ATOM 1177 CG TYR A 85 0.462 13.641 -8.848 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.372 13.592 -9.922 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.529 14.702 -7.922 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.340 14.596 -10.073 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.486 15.718 -8.090 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.390 15.663 -9.164 1.00 0.00 C ATOM 1183 OH TYR A 85 3.323 16.644 -9.312 1.00 0.00 O ATOM 0 H TYR A 85 -2.087 10.704 -8.952 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.382 13.570 -9.179 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.854 12.478 -7.645 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.100 11.591 -8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.324 12.779 -10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.153 14.734 -7.085 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.046 14.547 -10.889 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.526 16.542 -7.393 1.00 0.00 H new ATOM 0 HH TYR A 85 4.179 16.245 -9.574 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.951 14.027 -11.592 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.757 14.322 -13.006 1.00 0.00 C ATOM 1195 C ALA A 86 -0.433 15.059 -13.201 1.00 0.00 C ATOM 1196 O ALA A 86 0.361 14.692 -14.065 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.941 15.124 -13.564 1.00 0.00 C ATOM 0 H ALA A 86 -2.405 14.779 -11.074 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.713 13.387 -13.564 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.774 15.332 -14.621 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.858 14.546 -13.449 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.033 16.064 -13.019 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.199 16.094 -12.383 1.00 0.00 N ATOM 1204 CA GLY A 87 1.007 16.899 -12.429 1.00 0.00 C ATOM 1205 C GLY A 87 0.959 17.998 -11.371 1.00 0.00 C ATOM 1206 O GLY A 87 0.086 18.002 -10.504 1.00 0.00 O ATOM 0 H GLY A 87 -0.858 16.392 -11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.879 16.267 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.117 17.343 -13.418 1.00 0.00 H new ATOM 1210 N ALA A 88 1.918 18.926 -11.454 1.00 0.00 N ATOM 1211 CA ALA A 88 2.041 20.065 -10.560 1.00 0.00 C ATOM 1212 C ALA A 88 2.707 21.206 -11.320 1.00 0.00 C ATOM 1213 O ALA A 88 3.619 20.974 -12.114 1.00 0.00 O ATOM 1214 CB ALA A 88 2.832 19.693 -9.306 1.00 0.00 C ATOM 0 H ALA A 88 2.647 18.898 -12.167 1.00 0.00 H new ATOM 0 HA ALA A 88 1.053 20.382 -10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.910 20.563 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.320 18.888 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.831 19.363 -9.591 1.00 0.00 H new ATOM 1220 N ILE A 89 2.231 22.430 -11.071 1.00 0.00 N ATOM 1221 CA ILE A 89 2.710 23.647 -11.706 1.00 0.00 C ATOM 1222 C ILE A 89 2.833 24.762 -10.668 1.00 0.00 C ATOM 1223 O ILE A 89 2.321 24.633 -9.555 1.00 0.00 O ATOM 1224 CB ILE A 89 1.770 24.033 -12.865 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.320 24.239 -12.381 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.844 22.982 -13.976 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.632 24.680 -13.496 1.00 0.00 C ATOM 0 H ILE A 89 1.480 22.599 -10.402 1.00 0.00 H new ATOM 0 HA ILE A 89 3.702 23.482 -12.126 1.00 0.00 H new ATOM 0 HB ILE A 89 2.105 24.988 -13.269 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.046 23.309 -11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.311 24.987 -11.588 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.176 23.265 -14.790 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.866 22.920 -14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.543 22.012 -13.580 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.635 24.807 -13.089 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.288 25.626 -13.915 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.652 23.922 -14.279 1.00 0.00 H new ATOM 1239 N THR A 90 3.522 25.854 -11.031 1.00 0.00 N ATOM 1240 CA THR A 90 3.731 26.985 -10.139 1.00 0.00 C ATOM 1241 C THR A 90 3.968 28.309 -10.879 1.00 0.00 C ATOM 1242 O THR A 90 4.391 28.282 -12.034 1.00 0.00 O ATOM 1243 CB THR A 90 4.920 26.681 -9.215 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.036 27.707 -8.254 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.233 26.547 -10.002 1.00 0.00 C ATOM 0 H THR A 90 3.946 25.970 -11.951 1.00 0.00 H new ATOM 0 HA THR A 90 2.815 27.116 -9.563 1.00 0.00 H new ATOM 0 HB THR A 90 4.735 25.726 -8.723 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.143 27.974 -7.951 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.050 26.332 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.144 25.735 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.438 27.479 -10.529 1.00 0.00 H new ATOM 1253 N HIS A 91 3.688 29.460 -10.230 1.00 0.00 N ATOM 1254 CA HIS A 91 3.982 30.744 -10.889 1.00 0.00 C ATOM 1255 C HIS A 91 5.485 31.035 -10.810 1.00 0.00 C ATOM 1256 O HIS A 91 6.052 31.509 -11.792 1.00 0.00 O ATOM 1257 CB HIS A 91 3.328 32.034 -10.351 1.00 0.00 C ATOM 1258 CG HIS A 91 1.841 32.172 -10.527 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.109 33.189 -9.933 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.930 31.443 -11.240 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.173 33.022 -10.296 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.350 31.970 -11.096 1.00 0.00 N ATOM 0 H HIS A 91 3.280 29.526 -9.298 1.00 0.00 H new ATOM 0 HA HIS A 91 3.565 30.564 -11.880 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.551 32.108 -9.287 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.807 32.884 -10.837 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.171 30.575 -11.835 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.975 33.670 -9.974 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.220 31.631 -11.506 1.00 0.00 H new ATOM 1270 N THR A 92 6.131 30.758 -9.664 1.00 0.00 N ATOM 1271 CA THR A 92 7.554 31.019 -9.467 1.00 0.00 C ATOM 1272 C THR A 92 8.409 30.358 -10.552 1.00 0.00 C ATOM 1273 O THR A 92 8.103 29.260 -11.009 1.00 0.00 O ATOM 1274 CB THR A 92 8.001 30.676 -8.040 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.190 31.373 -7.736 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.254 29.184 -7.871 1.00 0.00 C ATOM 0 H THR A 92 5.673 30.346 -8.851 1.00 0.00 H new ATOM 0 HA THR A 92 7.715 32.091 -9.578 1.00 0.00 H new ATOM 0 HB THR A 92 7.198 30.970 -7.364 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.473 31.154 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.569 28.982 -6.847 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.338 28.633 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.037 28.867 -8.560 1.00 0.00 H new ATOM 1284 N GLY A 93 9.477 31.047 -10.966 1.00 0.00 N ATOM 1285 CA GLY A 93 10.387 30.596 -12.005 1.00 0.00 C ATOM 1286 C GLY A 93 10.009 31.233 -13.345 1.00 0.00 C ATOM 1287 O GLY A 93 10.861 31.360 -14.222 1.00 0.00 O ATOM 0 H GLY A 93 9.732 31.954 -10.574 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.411 30.861 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.350 29.510 -12.086 1.00 0.00 H new ATOM 1291 N ALA A 94 8.738 31.639 -13.494 1.00 0.00 N ATOM 1292 CA ALA A 94 8.199 32.276 -14.687 1.00 0.00 C ATOM 1293 C ALA A 94 8.281 33.799 -14.523 1.00 0.00 C ATOM 1294 O ALA A 94 9.263 34.296 -13.972 1.00 0.00 O ATOM 1295 CB ALA A 94 6.772 31.767 -14.908 1.00 0.00 C ATOM 0 H ALA A 94 8.041 31.525 -12.758 1.00 0.00 H new ATOM 0 HA ALA A 94 8.777 32.023 -15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.353 32.235 -15.799 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.788 30.685 -15.040 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.158 32.018 -14.043 1.00 0.00 H new ATOM 1301 N SER A 95 7.271 34.548 -14.994 1.00 0.00 N ATOM 1302 CA SER A 95 7.245 36.000 -14.878 1.00 0.00 C ATOM 1303 C SER A 95 5.811 36.530 -14.915 1.00 0.00 C ATOM 1304 O SER A 95 5.342 37.002 -15.950 1.00 0.00 O ATOM 1305 CB SER A 95 8.107 36.615 -15.982 1.00 0.00 C ATOM 1306 OG SER A 95 8.107 38.024 -15.896 1.00 0.00 O ATOM 0 H SER A 95 6.455 34.157 -15.464 1.00 0.00 H new ATOM 0 HA SER A 95 7.661 36.290 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.128 36.242 -15.902 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.730 36.306 -16.957 1.00 0.00 H new ATOM 0 HG SER A 95 8.666 38.395 -16.610 1.00 0.00 H new ATOM 1312 N GLY A 96 5.138 36.451 -13.766 1.00 0.00 N ATOM 1313 CA GLY A 96 3.772 36.916 -13.563 1.00 0.00 C ATOM 1314 C GLY A 96 2.812 35.762 -13.277 1.00 0.00 C ATOM 1315 O GLY A 96 3.114 34.890 -12.466 1.00 0.00 O ATOM 0 H GLY A 96 5.547 36.047 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.749 37.622 -12.732 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.437 37.455 -14.449 1.00 0.00 H new ATOM 1319 N ASN A 97 1.659 35.760 -13.960 1.00 0.00 N ATOM 1320 CA ASN A 97 0.620 34.751 -13.801 1.00 0.00 C ATOM 1321 C ASN A 97 0.960 33.475 -14.571 1.00 0.00 C ATOM 1322 O ASN A 97 0.548 32.393 -14.159 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.729 35.322 -14.256 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.870 34.342 -13.992 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.379 33.715 -14.918 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.267 34.202 -12.724 1.00 0.00 N ATOM 0 H ASN A 97 1.425 36.475 -14.649 1.00 0.00 H new ATOM 0 HA ASN A 97 0.555 34.484 -12.746 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.924 36.258 -13.733 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.687 35.554 -15.320 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.021 33.554 -12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.816 34.743 -11.986 1.00 0.00 H new ATOM 1333 N ASN A 98 1.695 33.602 -15.687 1.00 0.00 N ATOM 1334 CA ASN A 98 2.121 32.479 -16.517 1.00 0.00 C ATOM 1335 C ASN A 98 2.824 31.430 -15.649 1.00 0.00 C ATOM 1336 O ASN A 98 3.585 31.765 -14.742 1.00 0.00 O ATOM 1337 CB ASN A 98 2.964 32.949 -17.711 1.00 0.00 C ATOM 1338 CG ASN A 98 3.983 34.028 -17.346 1.00 0.00 C ATOM 1339 OD1 ASN A 98 5.084 33.726 -16.896 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.617 35.296 -17.549 1.00 0.00 N ATOM 0 H ASN A 98 2.012 34.506 -16.038 1.00 0.00 H new ATOM 0 HA ASN A 98 1.245 32.001 -16.954 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.488 32.093 -18.136 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.301 33.333 -18.486 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.262 36.055 -17.328 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.692 35.506 -17.925 1.00 0.00 H new ATOM 1347 N PHE A 99 2.540 30.159 -15.947 1.00 0.00 N ATOM 1348 CA PHE A 99 3.034 28.993 -15.235 1.00 0.00 C ATOM 1349 C PHE A 99 4.206 28.261 -15.891 1.00 0.00 C ATOM 1350 O PHE A 99 4.543 28.480 -17.053 1.00 0.00 O ATOM 1351 CB PHE A 99 1.854 28.013 -15.147 1.00 0.00 C ATOM 1352 CG PHE A 99 0.901 28.324 -14.019 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.180 29.209 -14.192 1.00 0.00 C ATOM 1354 CD2 PHE A 99 1.106 27.704 -12.781 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -1.037 29.480 -13.110 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.250 27.965 -11.708 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.818 28.855 -11.869 1.00 0.00 C ATOM 0 H PHE A 99 1.932 29.911 -16.727 1.00 0.00 H new ATOM 0 HA PHE A 99 3.415 29.342 -14.275 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.307 28.028 -16.090 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.240 27.002 -15.019 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.350 29.677 -15.150 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.931 27.019 -12.654 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.862 30.167 -13.232 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.412 27.481 -10.756 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.476 29.063 -11.038 1.00 0.00 H new ATOM 1367 N VAL A 100 4.794 27.378 -15.075 1.00 0.00 N ATOM 1368 CA VAL A 100 5.898 26.470 -15.352 1.00 0.00 C ATOM 1369 C VAL A 100 5.613 25.199 -14.548 1.00 0.00 C ATOM 1370 O VAL A 100 4.760 25.198 -13.662 1.00 0.00 O ATOM 1371 CB VAL A 100 7.275 27.069 -15.026 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.692 28.096 -16.081 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.336 27.664 -13.617 1.00 0.00 C ATOM 0 H VAL A 100 4.472 27.277 -14.112 1.00 0.00 H new ATOM 0 HA VAL A 100 5.954 26.259 -16.420 1.00 0.00 H new ATOM 0 HB VAL A 100 7.991 26.247 -15.049 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.670 28.504 -15.825 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.744 27.614 -17.057 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.960 28.903 -16.113 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.330 28.074 -13.438 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.595 28.458 -13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.127 26.885 -12.884 1.00 0.00 H new ATOM 1383 N GLY A 101 6.338 24.120 -14.852 1.00 0.00 N ATOM 1384 CA GLY A 101 6.161 22.825 -14.215 1.00 0.00 C ATOM 1385 C GLY A 101 6.912 22.659 -12.898 1.00 0.00 C ATOM 1386 O GLY A 101 7.803 23.441 -12.569 1.00 0.00 O ATOM 0 H GLY A 101 7.074 24.128 -15.559 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.098 22.665 -14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.488 22.047 -14.905 1.00 0.00 H new ATOM 1390 N CYS A 102 6.511 21.622 -12.151 1.00 0.00 N ATOM 1391 CA CYS A 102 7.078 21.219 -10.873 1.00 0.00 C ATOM 1392 C CYS A 102 7.160 19.692 -10.844 1.00 0.00 C ATOM 1393 O CYS A 102 6.519 19.007 -11.635 1.00 0.00 O ATOM 1394 CB CYS A 102 6.271 21.799 -9.706 1.00 0.00 C ATOM 1395 SG CYS A 102 6.926 21.551 -8.038 1.00 0.00 S ATOM 0 H CYS A 102 5.744 21.016 -12.443 1.00 0.00 H new ATOM 0 HA CYS A 102 8.085 21.620 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.164 22.871 -9.870 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.270 21.370 -9.742 1.00 0.00 H new ATOM 1400 N SER A 103 7.951 19.171 -9.909 1.00 0.00 N ATOM 1401 CA SER A 103 8.235 17.749 -9.701 1.00 0.00 C ATOM 1402 C SER A 103 8.766 17.082 -10.977 1.00 0.00 C ATOM 1403 O SER A 103 8.354 15.977 -11.331 1.00 0.00 O ATOM 1404 CB SER A 103 7.036 17.001 -9.100 1.00 0.00 C ATOM 1405 OG SER A 103 5.982 16.838 -10.023 1.00 0.00 O ATOM 0 H SER A 103 8.440 19.762 -9.237 1.00 0.00 H new ATOM 0 HA SER A 103 9.033 17.687 -8.962 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.362 16.022 -8.749 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.671 17.546 -8.230 1.00 0.00 H new ATOM 0 HG SER A 103 6.094 17.471 -10.762 1.00 0.00 H new ATOM 1411 N GLY A 104 9.687 17.762 -11.669 1.00 0.00 N ATOM 1412 CA GLY A 104 10.296 17.285 -12.900 1.00 0.00 C ATOM 1413 C GLY A 104 9.387 17.416 -14.127 1.00 0.00 C ATOM 1414 O GLY A 104 9.662 16.780 -15.144 1.00 0.00 O ATOM 0 H GLY A 104 10.032 18.677 -11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.216 17.841 -13.079 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.575 16.239 -12.775 1.00 0.00 H new ATOM 1418 N THR A 105 8.311 18.214 -14.047 1.00 0.00 N ATOM 1419 CA THR A 105 7.392 18.431 -15.159 1.00 0.00 C ATOM 1420 C THR A 105 7.980 19.506 -16.075 1.00 0.00 C ATOM 1421 O THR A 105 8.565 20.478 -15.597 1.00 0.00 O ATOM 1422 CB THR A 105 6.012 18.835 -14.621 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.456 17.759 -13.891 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.030 19.236 -15.720 1.00 0.00 C ATOM 0 H THR A 105 8.059 18.726 -13.202 1.00 0.00 H new ATOM 0 HA THR A 105 7.263 17.515 -15.735 1.00 0.00 H new ATOM 0 HB THR A 105 6.169 19.707 -13.987 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.642 17.881 -12.936 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.075 19.510 -15.272 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.429 20.087 -16.272 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.884 18.398 -16.401 1.00 0.00 H new ATOM 1432 N ASN A 106 7.827 19.317 -17.391 1.00 0.00 N ATOM 1433 CA ASN A 106 8.314 20.237 -18.406 1.00 0.00 C ATOM 1434 C ASN A 106 7.478 20.067 -19.673 1.00 0.00 C ATOM 1435 O ASN A 106 7.506 18.947 -20.228 1.00 0.00 O ATOM 1436 CB ASN A 106 9.804 19.970 -18.668 1.00 0.00 C ATOM 1437 CG ASN A 106 10.363 20.886 -19.754 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.722 20.425 -20.836 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.437 22.188 -19.469 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.712 21.007 -19.977 1.00 0.00 O ATOM 0 H ASN A 106 7.351 18.503 -17.780 1.00 0.00 H new ATOM 0 HA ASN A 106 8.216 21.268 -18.067 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.367 20.115 -17.746 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.940 18.930 -18.965 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.802 22.842 -20.162 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.128 22.529 -18.559 1.00 0.00 H new