USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 588 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 Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc=-0.00416 X(o=-0.0042,f=-0.0017) USER MOD Single : A 39 THR OG1 : rot -158:sc= -1.09 USER MOD Single : A 40 TYR OH : rot -106:sc= 0.532 USER MOD Single : A 43 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 1.3 (180deg=1.04) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.6) USER MOD Single : A 62 MET CE :methyl 159:sc= -2.77 (180deg=-3.18) USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.472) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 77:sc= 0.856 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 80 SER OG : rot 75:sc= 0.253 USER MOD Single : A 81 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.22) USER MOD Single : A 84 HIS : no HD1:sc= -0.695 X(o=-0.69,f=-0.2) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 94 ASN : amide:sc= 0.86 K(o=0.86,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 12.614 23.244 -5.489 1.00 10.00 N ATOM 2 CA GLY A 25 13.643 22.286 -5.852 1.00 10.00 C ATOM 3 C GLY A 25 13.057 20.943 -6.245 1.00 10.00 C ATOM 4 O GLY A 25 12.273 20.853 -7.188 1.00 10.00 O ATOM 0 HA2 GLY A 25 14.230 22.682 -6.681 1.00 10.00 H new ATOM 0 HA3 GLY A 25 14.326 22.152 -5.013 1.00 10.00 H new ATOM 8 N SER A 26 13.434 19.904 -5.522 1.00 10.00 N ATOM 9 CA SER A 26 12.934 18.565 -5.794 1.00 10.00 C ATOM 10 C SER A 26 12.427 17.922 -4.506 1.00 10.00 C ATOM 11 O SER A 26 13.057 18.042 -3.456 1.00 10.00 O ATOM 12 CB SER A 26 14.038 17.710 -6.413 1.00 10.00 C ATOM 13 OG SER A 26 14.938 18.512 -7.161 1.00 10.00 O ATOM 0 H SER A 26 14.086 19.960 -4.740 1.00 10.00 H new ATOM 0 HA SER A 26 12.106 18.634 -6.500 1.00 10.00 H new ATOM 0 HB2 SER A 26 14.580 17.184 -5.627 1.00 10.00 H new ATOM 0 HB3 SER A 26 13.597 16.951 -7.059 1.00 10.00 H new ATOM 0 HG SER A 26 15.638 17.945 -7.547 1.00 10.00 H new ATOM 19 N SER A 27 11.300 17.236 -4.588 1.00 10.00 N ATOM 20 CA SER A 27 10.711 16.589 -3.425 1.00 10.00 C ATOM 21 C SER A 27 10.930 15.079 -3.489 1.00 10.00 C ATOM 22 O SER A 27 10.247 14.370 -4.229 1.00 10.00 O ATOM 23 CB SER A 27 9.219 16.925 -3.349 1.00 10.00 C ATOM 24 OG SER A 27 9.014 18.316 -3.555 1.00 10.00 O ATOM 0 H SER A 27 10.771 17.112 -5.451 1.00 10.00 H new ATOM 0 HA SER A 27 11.197 16.959 -2.522 1.00 10.00 H new ATOM 0 HB2 SER A 27 8.673 16.355 -4.100 1.00 10.00 H new ATOM 0 HB3 SER A 27 8.823 16.632 -2.377 1.00 10.00 H new ATOM 0 HG SER A 27 8.056 18.516 -3.505 1.00 10.00 H new ATOM 30 N GLY A 28 11.904 14.596 -2.730 1.00 10.00 N ATOM 31 CA GLY A 28 12.205 13.182 -2.713 1.00 10.00 C ATOM 32 C GLY A 28 13.005 12.785 -1.491 1.00 10.00 C ATOM 33 O GLY A 28 14.054 13.372 -1.206 1.00 10.00 O ATOM 0 H GLY A 28 12.494 15.164 -2.122 1.00 10.00 H new ATOM 0 HA2 GLY A 28 11.275 12.614 -2.738 1.00 10.00 H new ATOM 0 HA3 GLY A 28 12.763 12.920 -3.612 1.00 10.00 H new ATOM 37 N SER A 29 12.509 11.798 -0.763 1.00 10.00 N ATOM 38 CA SER A 29 13.175 11.324 0.435 1.00 10.00 C ATOM 39 C SER A 29 13.988 10.068 0.134 1.00 10.00 C ATOM 40 O SER A 29 13.525 8.942 0.350 1.00 10.00 O ATOM 41 CB SER A 29 12.145 11.045 1.525 1.00 10.00 C ATOM 42 OG SER A 29 10.984 11.840 1.335 1.00 10.00 O ATOM 0 H SER A 29 11.642 11.308 -0.984 1.00 10.00 H new ATOM 0 HA SER A 29 13.859 12.096 0.786 1.00 10.00 H new ATOM 0 HB2 SER A 29 11.874 9.989 1.515 1.00 10.00 H new ATOM 0 HB3 SER A 29 12.578 11.253 2.503 1.00 10.00 H new ATOM 0 HG SER A 29 10.335 11.645 2.043 1.00 10.00 H new ATOM 48 N SER A 30 15.191 10.268 -0.387 1.00 10.00 N ATOM 49 CA SER A 30 16.078 9.167 -0.721 1.00 10.00 C ATOM 50 C SER A 30 16.775 8.643 0.527 1.00 10.00 C ATOM 51 O SER A 30 17.249 9.420 1.360 1.00 10.00 O ATOM 52 CB SER A 30 17.106 9.636 -1.747 1.00 10.00 C ATOM 53 OG SER A 30 16.500 10.503 -2.695 1.00 10.00 O ATOM 0 H SER A 30 15.575 11.191 -0.588 1.00 10.00 H new ATOM 0 HA SER A 30 15.490 8.354 -1.147 1.00 10.00 H new ATOM 0 HB2 SER A 30 17.923 10.152 -1.243 1.00 10.00 H new ATOM 0 HB3 SER A 30 17.539 8.775 -2.257 1.00 10.00 H new ATOM 0 HG SER A 30 17.171 10.797 -3.345 1.00 10.00 H new ATOM 59 N GLY A 31 16.816 7.328 0.667 1.00 10.00 N ATOM 60 CA GLY A 31 17.466 6.732 1.811 1.00 10.00 C ATOM 61 C GLY A 31 16.482 6.143 2.799 1.00 10.00 C ATOM 62 O GLY A 31 16.060 6.808 3.748 1.00 10.00 O ATOM 0 H GLY A 31 16.410 6.663 0.008 1.00 10.00 H new ATOM 0 HA2 GLY A 31 18.146 5.951 1.472 1.00 10.00 H new ATOM 0 HA3 GLY A 31 18.072 7.486 2.313 1.00 10.00 H new ATOM 66 N VAL A 32 16.092 4.901 2.565 1.00 10.00 N ATOM 67 CA VAL A 32 15.169 4.213 3.452 1.00 10.00 C ATOM 68 C VAL A 32 15.925 3.214 4.321 1.00 10.00 C ATOM 69 O VAL A 32 17.016 2.760 3.958 1.00 10.00 O ATOM 70 CB VAL A 32 14.046 3.480 2.681 1.00 10.00 C ATOM 71 CG1 VAL A 32 13.070 4.480 2.075 1.00 10.00 C ATOM 72 CG2 VAL A 32 14.629 2.571 1.610 1.00 10.00 C ATOM 0 H VAL A 32 16.401 4.347 1.766 1.00 10.00 H new ATOM 0 HA VAL A 32 14.700 4.973 4.077 1.00 10.00 H new ATOM 0 HB VAL A 32 13.498 2.857 3.387 1.00 10.00 H new ATOM 0 HG11 VAL A 32 12.288 3.945 1.537 1.00 10.00 H new ATOM 0 HG12 VAL A 32 12.621 5.077 2.869 1.00 10.00 H new ATOM 0 HG13 VAL A 32 13.602 5.135 1.385 1.00 10.00 H new ATOM 0 HG21 VAL A 32 13.820 2.066 1.081 1.00 10.00 H new ATOM 0 HG22 VAL A 32 15.209 3.166 0.904 1.00 10.00 H new ATOM 0 HG23 VAL A 32 15.277 1.828 2.076 1.00 10.00 H new ATOM 82 N HIS A 33 15.347 2.877 5.463 1.00 10.00 N ATOM 83 CA HIS A 33 15.972 1.942 6.387 1.00 10.00 C ATOM 84 C HIS A 33 15.459 0.524 6.151 1.00 10.00 C ATOM 85 O HIS A 33 14.858 0.239 5.116 1.00 10.00 O ATOM 86 CB HIS A 33 15.702 2.369 7.834 1.00 10.00 C ATOM 87 CG HIS A 33 16.323 3.681 8.200 1.00 10.00 C ATOM 88 ND1 HIS A 33 15.723 4.542 9.088 1.00 10.00 N ATOM 89 CD2 HIS A 33 17.489 4.227 7.777 1.00 10.00 C ATOM 90 CE1 HIS A 33 16.532 5.586 9.185 1.00 10.00 C ATOM 91 NE2 HIS A 33 17.611 5.436 8.409 1.00 10.00 N ATOM 0 H HIS A 33 14.445 3.237 5.773 1.00 10.00 H new ATOM 0 HA HIS A 33 17.048 1.951 6.210 1.00 10.00 H new ATOM 0 HB2 HIS A 33 14.625 2.431 7.990 1.00 10.00 H new ATOM 0 HB3 HIS A 33 16.078 1.599 8.507 1.00 10.00 H new ATOM 0 HD2 HIS A 33 18.187 3.793 7.077 1.00 10.00 H new ATOM 0 HE1 HIS A 33 16.345 6.447 9.810 1.00 10.00 H new ATOM 0 HE2 HIS A 33 18.380 6.098 8.307 1.00 10.00 H new ATOM 99 N VAL A 34 15.697 -0.361 7.116 1.00 10.00 N ATOM 100 CA VAL A 34 15.255 -1.746 7.006 1.00 10.00 C ATOM 101 C VAL A 34 13.767 -1.869 7.315 1.00 10.00 C ATOM 102 O VAL A 34 13.107 -2.821 6.898 1.00 10.00 O ATOM 103 CB VAL A 34 16.049 -2.684 7.946 1.00 10.00 C ATOM 104 CG1 VAL A 34 17.499 -2.782 7.504 1.00 10.00 C ATOM 105 CG2 VAL A 34 15.961 -2.211 9.393 1.00 10.00 C ATOM 0 H VAL A 34 16.192 -0.143 7.981 1.00 10.00 H new ATOM 0 HA VAL A 34 15.441 -2.052 5.976 1.00 10.00 H new ATOM 0 HB VAL A 34 15.602 -3.676 7.887 1.00 10.00 H new ATOM 0 HG11 VAL A 34 18.041 -3.446 8.178 1.00 10.00 H new ATOM 0 HG12 VAL A 34 17.544 -3.178 6.490 1.00 10.00 H new ATOM 0 HG13 VAL A 34 17.954 -1.792 7.527 1.00 10.00 H new ATOM 0 HG21 VAL A 34 16.528 -2.888 10.032 1.00 10.00 H new ATOM 0 HG22 VAL A 34 16.374 -1.206 9.473 1.00 10.00 H new ATOM 0 HG23 VAL A 34 14.918 -2.201 9.710 1.00 10.00 H new ATOM 115 N GLU A 35 13.242 -0.892 8.041 1.00 10.00 N ATOM 116 CA GLU A 35 11.838 -0.887 8.411 1.00 10.00 C ATOM 117 C GLU A 35 11.110 0.271 7.729 1.00 10.00 C ATOM 118 O GLU A 35 10.968 1.359 8.289 1.00 10.00 O ATOM 119 CB GLU A 35 11.696 -0.805 9.929 1.00 10.00 C ATOM 120 CG GLU A 35 10.260 -0.866 10.412 1.00 10.00 C ATOM 121 CD GLU A 35 10.155 -1.345 11.842 1.00 10.00 C ATOM 122 OE1 GLU A 35 10.767 -0.714 12.732 1.00 10.00 O ATOM 123 OE2 GLU A 35 9.461 -2.353 12.082 1.00 10.00 O ATOM 0 H GLU A 35 13.771 -0.091 8.385 1.00 10.00 H new ATOM 0 HA GLU A 35 11.380 -1.817 8.074 1.00 10.00 H new ATOM 0 HB2 GLU A 35 12.257 -1.622 10.382 1.00 10.00 H new ATOM 0 HB3 GLU A 35 12.148 0.124 10.278 1.00 10.00 H new ATOM 0 HG2 GLU A 35 9.809 0.123 10.328 1.00 10.00 H new ATOM 0 HG3 GLU A 35 9.690 -1.533 9.765 1.00 10.00 H new ATOM 130 N ASP A 36 10.681 0.031 6.504 1.00 10.00 N ATOM 131 CA ASP A 36 9.974 1.025 5.711 1.00 10.00 C ATOM 132 C ASP A 36 8.530 0.595 5.485 1.00 10.00 C ATOM 133 O ASP A 36 7.714 1.348 4.950 1.00 10.00 O ATOM 134 CB ASP A 36 10.685 1.233 4.363 1.00 10.00 C ATOM 135 CG ASP A 36 10.819 -0.042 3.542 1.00 10.00 C ATOM 136 OD1 ASP A 36 11.036 -1.126 4.135 1.00 10.00 O ATOM 137 OD2 ASP A 36 10.740 0.045 2.300 1.00 10.00 O ATOM 0 H ASP A 36 10.812 -0.861 6.027 1.00 10.00 H new ATOM 0 HA ASP A 36 9.974 1.969 6.256 1.00 10.00 H new ATOM 0 HB2 ASP A 36 10.135 1.973 3.782 1.00 10.00 H new ATOM 0 HB3 ASP A 36 11.678 1.644 4.545 1.00 10.00 H new ATOM 142 N ALA A 37 8.217 -0.604 5.949 1.00 10.00 N ATOM 143 CA ALA A 37 6.882 -1.173 5.792 1.00 10.00 C ATOM 144 C ALA A 37 5.808 -0.348 6.506 1.00 10.00 C ATOM 145 O ALA A 37 4.721 -0.145 5.973 1.00 10.00 O ATOM 146 CB ALA A 37 6.869 -2.613 6.292 1.00 10.00 C ATOM 0 H ALA A 37 8.874 -1.209 6.442 1.00 10.00 H new ATOM 0 HA ALA A 37 6.641 -1.154 4.729 1.00 10.00 H new ATOM 0 HB1 ALA A 37 5.870 -3.031 6.172 1.00 10.00 H new ATOM 0 HB2 ALA A 37 7.581 -3.204 5.717 1.00 10.00 H new ATOM 0 HB3 ALA A 37 7.147 -2.635 7.346 1.00 10.00 H new ATOM 152 N LEU A 38 6.115 0.149 7.701 1.00 10.00 N ATOM 153 CA LEU A 38 5.140 0.928 8.465 1.00 10.00 C ATOM 154 C LEU A 38 5.129 2.395 8.046 1.00 10.00 C ATOM 155 O LEU A 38 4.250 3.157 8.449 1.00 10.00 O ATOM 156 CB LEU A 38 5.395 0.812 9.979 1.00 10.00 C ATOM 157 CG LEU A 38 6.859 0.771 10.430 1.00 10.00 C ATOM 158 CD1 LEU A 38 7.533 2.125 10.241 1.00 10.00 C ATOM 159 CD2 LEU A 38 6.938 0.343 11.888 1.00 10.00 C ATOM 0 H LEU A 38 7.019 0.030 8.158 1.00 10.00 H new ATOM 0 HA LEU A 38 4.159 0.507 8.243 1.00 10.00 H new ATOM 0 HB2 LEU A 38 4.911 1.656 10.471 1.00 10.00 H new ATOM 0 HB3 LEU A 38 4.903 -0.092 10.339 1.00 10.00 H new ATOM 0 HG LEU A 38 7.387 0.045 9.812 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.570 2.064 10.570 1.00 10.00 H new ATOM 0 HD12 LEU A 38 7.502 2.403 9.187 1.00 10.00 H new ATOM 0 HD13 LEU A 38 7.009 2.878 10.830 1.00 10.00 H new ATOM 0 HD21 LEU A 38 7.981 0.316 12.203 1.00 10.00 H new ATOM 0 HD22 LEU A 38 6.391 1.055 12.506 1.00 10.00 H new ATOM 0 HD23 LEU A 38 6.499 -0.648 12.001 1.00 10.00 H new ATOM 171 N THR A 39 6.093 2.780 7.226 1.00 10.00 N ATOM 172 CA THR A 39 6.209 4.153 6.766 1.00 10.00 C ATOM 173 C THR A 39 5.139 4.494 5.729 1.00 10.00 C ATOM 174 O THR A 39 4.434 5.495 5.848 1.00 10.00 O ATOM 175 CB THR A 39 7.602 4.401 6.160 1.00 10.00 C ATOM 176 OG1 THR A 39 8.567 3.577 6.826 1.00 10.00 O ATOM 177 CG2 THR A 39 7.996 5.862 6.287 1.00 10.00 C ATOM 0 H THR A 39 6.812 2.154 6.863 1.00 10.00 H new ATOM 0 HA THR A 39 6.065 4.797 7.633 1.00 10.00 H new ATOM 0 HB THR A 39 7.571 4.147 5.101 1.00 10.00 H new ATOM 0 HG1 THR A 39 9.461 3.960 6.709 1.00 10.00 H new ATOM 0 HG21 THR A 39 8.984 6.012 5.852 1.00 10.00 H new ATOM 0 HG22 THR A 39 7.270 6.482 5.761 1.00 10.00 H new ATOM 0 HG23 THR A 39 8.017 6.143 7.340 1.00 10.00 H new ATOM 185 N TYR A 40 5.006 3.637 4.725 1.00 10.00 N ATOM 186 CA TYR A 40 4.031 3.848 3.657 1.00 10.00 C ATOM 187 C TYR A 40 2.602 3.587 4.142 1.00 10.00 C ATOM 188 O TYR A 40 1.633 3.956 3.479 1.00 10.00 O ATOM 189 CB TYR A 40 4.371 2.948 2.461 1.00 10.00 C ATOM 190 CG TYR A 40 3.502 3.167 1.240 1.00 10.00 C ATOM 191 CD1 TYR A 40 2.612 2.189 0.820 1.00 10.00 C ATOM 192 CD2 TYR A 40 3.573 4.347 0.505 1.00 10.00 C ATOM 193 CE1 TYR A 40 1.816 2.375 -0.293 1.00 10.00 C ATOM 194 CE2 TYR A 40 2.778 4.543 -0.610 1.00 10.00 C ATOM 195 CZ TYR A 40 1.901 3.553 -1.007 1.00 10.00 C ATOM 196 OH TYR A 40 1.105 3.741 -2.114 1.00 10.00 O ATOM 0 H TYR A 40 5.561 2.787 4.626 1.00 10.00 H new ATOM 0 HA TYR A 40 4.082 4.892 3.346 1.00 10.00 H new ATOM 0 HB2 TYR A 40 5.412 3.112 2.184 1.00 10.00 H new ATOM 0 HB3 TYR A 40 4.284 1.906 2.771 1.00 10.00 H new ATOM 0 HD1 TYR A 40 2.540 1.265 1.374 1.00 10.00 H new ATOM 0 HD2 TYR A 40 4.260 5.122 0.810 1.00 10.00 H new ATOM 0 HE1 TYR A 40 1.129 1.601 -0.604 1.00 10.00 H new ATOM 0 HE2 TYR A 40 2.843 5.466 -1.167 1.00 10.00 H new ATOM 0 HH TYR A 40 1.648 3.659 -2.925 1.00 10.00 H new ATOM 206 N LEU A 41 2.476 2.974 5.313 1.00 10.00 N ATOM 207 CA LEU A 41 1.169 2.662 5.878 1.00 10.00 C ATOM 208 C LEU A 41 0.439 3.938 6.296 1.00 10.00 C ATOM 209 O LEU A 41 -0.742 4.123 5.992 1.00 10.00 O ATOM 210 CB LEU A 41 1.330 1.725 7.085 1.00 10.00 C ATOM 211 CG LEU A 41 0.266 0.624 7.235 1.00 10.00 C ATOM 212 CD1 LEU A 41 -1.116 1.220 7.461 1.00 10.00 C ATOM 213 CD2 LEU A 41 0.258 -0.288 6.019 1.00 10.00 C ATOM 0 H LEU A 41 3.265 2.683 5.891 1.00 10.00 H new ATOM 0 HA LEU A 41 0.573 2.162 5.114 1.00 10.00 H new ATOM 0 HB2 LEU A 41 2.309 1.250 7.022 1.00 10.00 H new ATOM 0 HB3 LEU A 41 1.327 2.330 7.992 1.00 10.00 H new ATOM 0 HG LEU A 41 0.525 0.030 8.112 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -1.846 0.417 7.563 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -1.109 1.822 8.370 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -1.384 1.849 6.612 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -0.502 -1.059 6.147 1.00 10.00 H new ATOM 0 HD22 LEU A 41 0.035 0.297 5.127 1.00 10.00 H new ATOM 0 HD23 LEU A 41 1.236 -0.757 5.910 1.00 10.00 H new ATOM 225 N ASP A 42 1.150 4.827 6.975 1.00 10.00 N ATOM 226 CA ASP A 42 0.556 6.075 7.449 1.00 10.00 C ATOM 227 C ASP A 42 0.247 7.016 6.294 1.00 10.00 C ATOM 228 O ASP A 42 -0.727 7.773 6.337 1.00 10.00 O ATOM 229 CB ASP A 42 1.486 6.765 8.448 1.00 10.00 C ATOM 230 CG ASP A 42 0.841 7.979 9.093 1.00 10.00 C ATOM 231 OD1 ASP A 42 -0.393 7.963 9.314 1.00 10.00 O ATOM 232 OD2 ASP A 42 1.564 8.949 9.403 1.00 10.00 O ATOM 0 H ASP A 42 2.136 4.711 7.211 1.00 10.00 H new ATOM 0 HA ASP A 42 -0.382 5.826 7.946 1.00 10.00 H new ATOM 0 HB2 ASP A 42 1.774 6.055 9.223 1.00 10.00 H new ATOM 0 HB3 ASP A 42 2.400 7.070 7.939 1.00 10.00 H new ATOM 237 N GLN A 43 1.071 6.950 5.255 1.00 10.00 N ATOM 238 CA GLN A 43 0.905 7.801 4.082 1.00 10.00 C ATOM 239 C GLN A 43 -0.485 7.624 3.473 1.00 10.00 C ATOM 240 O GLN A 43 -1.087 8.580 2.985 1.00 10.00 O ATOM 241 CB GLN A 43 1.993 7.498 3.050 1.00 10.00 C ATOM 242 CG GLN A 43 3.405 7.602 3.611 1.00 10.00 C ATOM 243 CD GLN A 43 3.772 9.022 4.008 1.00 10.00 C ATOM 244 OE1 GLN A 43 3.453 9.482 5.106 1.00 10.00 O ATOM 245 NE2 GLN A 43 4.458 9.721 3.118 1.00 10.00 N ATOM 0 H GLN A 43 1.865 6.312 5.201 1.00 10.00 H new ATOM 0 HA GLN A 43 1.003 8.841 4.394 1.00 10.00 H new ATOM 0 HB2 GLN A 43 1.840 6.493 2.656 1.00 10.00 H new ATOM 0 HB3 GLN A 43 1.891 8.188 2.212 1.00 10.00 H new ATOM 0 HG2 GLN A 43 3.496 6.951 4.480 1.00 10.00 H new ATOM 0 HG3 GLN A 43 4.115 7.241 2.867 1.00 10.00 H new ATOM 0 HE21 GLN A 43 4.702 9.303 2.220 1.00 10.00 H new ATOM 0 HE22 GLN A 43 4.742 10.677 3.330 1.00 10.00 H new ATOM 254 N VAL A 44 -0.999 6.399 3.531 1.00 10.00 N ATOM 255 CA VAL A 44 -2.330 6.098 3.007 1.00 10.00 C ATOM 256 C VAL A 44 -3.391 6.821 3.829 1.00 10.00 C ATOM 257 O VAL A 44 -4.329 7.404 3.281 1.00 10.00 O ATOM 258 CB VAL A 44 -2.622 4.583 3.032 1.00 10.00 C ATOM 259 CG1 VAL A 44 -3.941 4.268 2.345 1.00 10.00 C ATOM 260 CG2 VAL A 44 -1.484 3.811 2.386 1.00 10.00 C ATOM 0 H VAL A 44 -0.515 5.598 3.936 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.359 6.440 1.972 1.00 10.00 H new ATOM 0 HB VAL A 44 -2.704 4.272 4.074 1.00 10.00 H new ATOM 0 HG11 VAL A 44 -4.121 3.193 2.378 1.00 10.00 H new ATOM 0 HG12 VAL A 44 -4.751 4.787 2.857 1.00 10.00 H new ATOM 0 HG13 VAL A 44 -3.898 4.597 1.307 1.00 10.00 H new ATOM 0 HG21 VAL A 44 -1.707 2.744 2.412 1.00 10.00 H new ATOM 0 HG22 VAL A 44 -1.368 4.132 1.351 1.00 10.00 H new ATOM 0 HG23 VAL A 44 -0.559 4.002 2.931 1.00 10.00 H new ATOM 270 N LYS A 45 -3.214 6.806 5.147 1.00 10.00 N ATOM 271 CA LYS A 45 -4.147 7.452 6.060 1.00 10.00 C ATOM 272 C LYS A 45 -4.185 8.959 5.830 1.00 10.00 C ATOM 273 O LYS A 45 -5.243 9.577 5.892 1.00 10.00 O ATOM 274 CB LYS A 45 -3.757 7.158 7.513 1.00 10.00 C ATOM 275 CG LYS A 45 -4.630 7.856 8.551 1.00 10.00 C ATOM 276 CD LYS A 45 -4.136 7.602 9.965 1.00 10.00 C ATOM 277 CE LYS A 45 -3.622 8.880 10.620 1.00 10.00 C ATOM 278 NZ LYS A 45 -2.507 9.504 9.851 1.00 10.00 N ATOM 0 H LYS A 45 -2.427 6.350 5.607 1.00 10.00 H new ATOM 0 HA LYS A 45 -5.141 7.049 5.866 1.00 10.00 H new ATOM 0 HB2 LYS A 45 -3.805 6.082 7.679 1.00 10.00 H new ATOM 0 HB3 LYS A 45 -2.720 7.458 7.666 1.00 10.00 H new ATOM 0 HG2 LYS A 45 -4.639 8.928 8.356 1.00 10.00 H new ATOM 0 HG3 LYS A 45 -5.658 7.506 8.456 1.00 10.00 H new ATOM 0 HD2 LYS A 45 -4.946 7.186 10.564 1.00 10.00 H new ATOM 0 HD3 LYS A 45 -3.340 6.858 9.944 1.00 10.00 H new ATOM 0 HE2 LYS A 45 -4.441 9.593 10.711 1.00 10.00 H new ATOM 0 HE3 LYS A 45 -3.282 8.655 11.631 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -1.904 10.052 10.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 -1.941 8.760 9.396 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 -2.898 10.136 9.123 1.00 10.00 H new ATOM 292 N ILE A 46 -3.021 9.539 5.557 1.00 10.00 N ATOM 293 CA ILE A 46 -2.912 10.973 5.321 1.00 10.00 C ATOM 294 C ILE A 46 -3.476 11.346 3.951 1.00 10.00 C ATOM 295 O ILE A 46 -4.221 12.321 3.817 1.00 10.00 O ATOM 296 CB ILE A 46 -1.446 11.447 5.415 1.00 10.00 C ATOM 297 CG1 ILE A 46 -0.833 11.019 6.751 1.00 10.00 C ATOM 298 CG2 ILE A 46 -1.359 12.957 5.252 1.00 10.00 C ATOM 299 CD1 ILE A 46 0.668 11.182 6.811 1.00 10.00 C ATOM 0 H ILE A 46 -2.137 9.035 5.494 1.00 10.00 H new ATOM 0 HA ILE A 46 -3.494 11.471 6.096 1.00 10.00 H new ATOM 0 HB ILE A 46 -0.882 10.981 4.607 1.00 10.00 H new ATOM 0 HG12 ILE A 46 -1.285 11.604 7.552 1.00 10.00 H new ATOM 0 HG13 ILE A 46 -1.084 9.975 6.938 1.00 10.00 H new ATOM 0 HG21 ILE A 46 -0.318 13.271 5.321 1.00 10.00 H new ATOM 0 HG22 ILE A 46 -1.760 13.242 4.279 1.00 10.00 H new ATOM 0 HG23 ILE A 46 -1.937 13.442 6.039 1.00 10.00 H new ATOM 0 HD11 ILE A 46 1.030 10.859 7.787 1.00 10.00 H new ATOM 0 HD12 ILE A 46 1.131 10.575 6.033 1.00 10.00 H new ATOM 0 HD13 ILE A 46 0.927 12.230 6.657 1.00 10.00 H new ATOM 311 N ARG A 47 -3.119 10.563 2.937 1.00 10.00 N ATOM 312 CA ARG A 47 -3.589 10.807 1.578 1.00 10.00 C ATOM 313 C ARG A 47 -5.108 10.788 1.518 1.00 10.00 C ATOM 314 O ARG A 47 -5.722 11.611 0.839 1.00 10.00 O ATOM 315 CB ARG A 47 -3.023 9.761 0.617 1.00 10.00 C ATOM 316 CG ARG A 47 -1.758 10.209 -0.098 1.00 10.00 C ATOM 317 CD ARG A 47 -2.076 11.085 -1.300 1.00 10.00 C ATOM 318 NE ARG A 47 -0.913 11.272 -2.165 1.00 10.00 N ATOM 319 CZ ARG A 47 -0.977 11.726 -3.414 1.00 10.00 C ATOM 320 NH1 ARG A 47 -2.145 12.053 -3.955 1.00 10.00 N ATOM 321 NH2 ARG A 47 0.138 11.856 -4.123 1.00 10.00 N ATOM 0 H ARG A 47 -2.505 9.754 3.031 1.00 10.00 H new ATOM 0 HA ARG A 47 -3.239 11.794 1.277 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -2.812 8.847 1.172 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.782 9.515 -0.126 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.122 10.759 0.596 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -1.194 9.335 -0.423 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -2.885 10.633 -1.874 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.432 12.056 -0.957 1.00 10.00 H new ATOM 0 HE ARG A 47 0.006 11.040 -1.787 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -3.003 11.957 -3.412 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.184 12.400 -4.913 1.00 10.00 H new ATOM 0 HH21 ARG A 47 1.037 11.608 -3.710 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.096 12.203 -5.081 1.00 10.00 H new ATOM 335 N PHE A 48 -5.711 9.852 2.232 1.00 10.00 N ATOM 336 CA PHE A 48 -7.159 9.729 2.266 1.00 10.00 C ATOM 337 C PHE A 48 -7.696 10.132 3.635 1.00 10.00 C ATOM 338 O PHE A 48 -8.597 9.497 4.181 1.00 10.00 O ATOM 339 CB PHE A 48 -7.578 8.301 1.920 1.00 10.00 C ATOM 340 CG PHE A 48 -7.361 7.957 0.473 1.00 10.00 C ATOM 341 CD1 PHE A 48 -8.297 8.317 -0.486 1.00 10.00 C ATOM 342 CD2 PHE A 48 -6.223 7.280 0.068 1.00 10.00 C ATOM 343 CE1 PHE A 48 -8.103 8.006 -1.815 1.00 10.00 C ATOM 344 CE2 PHE A 48 -6.025 6.967 -1.262 1.00 10.00 C ATOM 345 CZ PHE A 48 -6.963 7.330 -2.203 1.00 10.00 C ATOM 0 H PHE A 48 -5.217 9.163 2.799 1.00 10.00 H new ATOM 0 HA PHE A 48 -7.584 10.402 1.521 1.00 10.00 H new ATOM 0 HB2 PHE A 48 -7.016 7.603 2.541 1.00 10.00 H new ATOM 0 HB3 PHE A 48 -8.632 8.169 2.165 1.00 10.00 H new ATOM 0 HD1 PHE A 48 -9.189 8.848 -0.187 1.00 10.00 H new ATOM 0 HD2 PHE A 48 -5.483 6.994 0.800 1.00 10.00 H new ATOM 0 HE1 PHE A 48 -8.841 8.290 -2.551 1.00 10.00 H new ATOM 0 HE2 PHE A 48 -5.134 6.437 -1.565 1.00 10.00 H new ATOM 0 HZ PHE A 48 -6.807 7.086 -3.243 1.00 10.00 H new ATOM 355 N GLY A 49 -7.137 11.208 4.183 1.00 10.00 N ATOM 356 CA GLY A 49 -7.569 11.695 5.482 1.00 10.00 C ATOM 357 C GLY A 49 -8.996 12.204 5.453 1.00 10.00 C ATOM 358 O GLY A 49 -9.696 12.172 6.464 1.00 10.00 O ATOM 0 H GLY A 49 -6.391 11.752 3.750 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -7.485 10.893 6.216 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -6.905 12.496 5.808 1.00 10.00 H new ATOM 362 N SER A 50 -9.426 12.679 4.288 1.00 10.00 N ATOM 363 CA SER A 50 -10.774 13.197 4.124 1.00 10.00 C ATOM 364 C SER A 50 -11.703 12.126 3.553 1.00 10.00 C ATOM 365 O SER A 50 -12.878 12.383 3.297 1.00 10.00 O ATOM 366 CB SER A 50 -10.760 14.432 3.221 1.00 10.00 C ATOM 367 OG SER A 50 -9.879 15.424 3.728 1.00 10.00 O ATOM 0 H SER A 50 -8.856 12.715 3.443 1.00 10.00 H new ATOM 0 HA SER A 50 -11.153 13.485 5.105 1.00 10.00 H new ATOM 0 HB2 SER A 50 -10.452 14.148 2.215 1.00 10.00 H new ATOM 0 HB3 SER A 50 -11.767 14.841 3.143 1.00 10.00 H new ATOM 0 HG SER A 50 -9.886 16.203 3.133 1.00 10.00 H new ATOM 373 N ASP A 51 -11.170 10.926 3.352 1.00 10.00 N ATOM 374 CA ASP A 51 -11.960 9.817 2.825 1.00 10.00 C ATOM 375 C ASP A 51 -11.691 8.563 3.646 1.00 10.00 C ATOM 376 O ASP A 51 -10.816 7.762 3.316 1.00 10.00 O ATOM 377 CB ASP A 51 -11.642 9.561 1.348 1.00 10.00 C ATOM 378 CG ASP A 51 -12.609 8.577 0.708 1.00 10.00 C ATOM 379 OD1 ASP A 51 -12.502 7.365 0.978 1.00 10.00 O ATOM 380 OD2 ASP A 51 -13.484 9.010 -0.075 1.00 10.00 O ATOM 0 H ASP A 51 -10.195 10.695 3.545 1.00 10.00 H new ATOM 0 HA ASP A 51 -13.015 10.080 2.898 1.00 10.00 H new ATOM 0 HB2 ASP A 51 -11.675 10.505 0.803 1.00 10.00 H new ATOM 0 HB3 ASP A 51 -10.626 9.177 1.259 1.00 10.00 H new ATOM 385 N PRO A 52 -12.436 8.390 4.744 1.00 10.00 N ATOM 386 CA PRO A 52 -12.280 7.241 5.639 1.00 10.00 C ATOM 387 C PRO A 52 -12.716 5.930 4.991 1.00 10.00 C ATOM 388 O PRO A 52 -12.346 4.849 5.445 1.00 10.00 O ATOM 389 CB PRO A 52 -13.188 7.575 6.833 1.00 10.00 C ATOM 390 CG PRO A 52 -13.563 9.011 6.675 1.00 10.00 C ATOM 391 CD PRO A 52 -13.494 9.298 5.205 1.00 10.00 C ATOM 0 HA PRO A 52 -11.236 7.090 5.914 1.00 10.00 H new ATOM 0 HB2 PRO A 52 -14.073 6.939 6.840 1.00 10.00 H new ATOM 0 HB3 PRO A 52 -12.669 7.409 7.777 1.00 10.00 H new ATOM 0 HG2 PRO A 52 -14.565 9.197 7.062 1.00 10.00 H new ATOM 0 HG3 PRO A 52 -12.882 9.655 7.231 1.00 10.00 H new ATOM 0 HD2 PRO A 52 -14.444 9.097 4.709 1.00 10.00 H new ATOM 0 HD3 PRO A 52 -13.246 10.341 5.008 1.00 10.00 H new ATOM 399 N ALA A 53 -13.486 6.039 3.916 1.00 10.00 N ATOM 400 CA ALA A 53 -13.979 4.869 3.202 1.00 10.00 C ATOM 401 C ALA A 53 -12.833 4.093 2.561 1.00 10.00 C ATOM 402 O ALA A 53 -12.726 2.879 2.730 1.00 10.00 O ATOM 403 CB ALA A 53 -14.997 5.284 2.155 1.00 10.00 C ATOM 0 H ALA A 53 -13.783 6.930 3.518 1.00 10.00 H new ATOM 0 HA ALA A 53 -14.466 4.210 3.921 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -15.358 4.401 1.628 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -15.835 5.785 2.640 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -14.530 5.965 1.444 1.00 10.00 H new ATOM 409 N THR A 54 -11.967 4.798 1.845 1.00 10.00 N ATOM 410 CA THR A 54 -10.832 4.167 1.181 1.00 10.00 C ATOM 411 C THR A 54 -9.881 3.532 2.194 1.00 10.00 C ATOM 412 O THR A 54 -9.412 2.408 1.999 1.00 10.00 O ATOM 413 CB THR A 54 -10.066 5.179 0.312 1.00 10.00 C ATOM 414 OG1 THR A 54 -10.987 5.897 -0.520 1.00 10.00 O ATOM 415 CG2 THR A 54 -9.031 4.480 -0.556 1.00 10.00 C ATOM 0 H THR A 54 -12.028 5.807 1.709 1.00 10.00 H new ATOM 0 HA THR A 54 -11.230 3.382 0.538 1.00 10.00 H new ATOM 0 HB THR A 54 -9.548 5.874 0.973 1.00 10.00 H new ATOM 0 HG1 THR A 54 -11.398 6.622 -0.004 1.00 10.00 H new ATOM 0 HG21 THR A 54 -8.504 5.219 -1.160 1.00 10.00 H new ATOM 0 HG22 THR A 54 -8.318 3.955 0.080 1.00 10.00 H new ATOM 0 HG23 THR A 54 -9.529 3.764 -1.210 1.00 10.00 H new ATOM 423 N TYR A 55 -9.610 4.246 3.282 1.00 10.00 N ATOM 424 CA TYR A 55 -8.725 3.744 4.319 1.00 10.00 C ATOM 425 C TYR A 55 -9.344 2.519 4.991 1.00 10.00 C ATOM 426 O TYR A 55 -8.651 1.546 5.284 1.00 10.00 O ATOM 427 CB TYR A 55 -8.442 4.837 5.355 1.00 10.00 C ATOM 428 CG TYR A 55 -7.341 4.483 6.337 1.00 10.00 C ATOM 429 CD1 TYR A 55 -6.108 4.002 5.896 1.00 10.00 C ATOM 430 CD2 TYR A 55 -7.532 4.627 7.706 1.00 10.00 C ATOM 431 CE1 TYR A 55 -5.107 3.675 6.791 1.00 10.00 C ATOM 432 CE2 TYR A 55 -6.531 4.302 8.605 1.00 10.00 C ATOM 433 CZ TYR A 55 -5.323 3.829 8.141 1.00 10.00 C ATOM 434 OH TYR A 55 -4.325 3.509 9.031 1.00 10.00 O ATOM 0 H TYR A 55 -9.992 5.174 3.465 1.00 10.00 H new ATOM 0 HA TYR A 55 -7.780 3.451 3.861 1.00 10.00 H new ATOM 0 HB2 TYR A 55 -8.170 5.755 4.835 1.00 10.00 H new ATOM 0 HB3 TYR A 55 -9.357 5.044 5.910 1.00 10.00 H new ATOM 0 HD1 TYR A 55 -5.933 3.883 4.837 1.00 10.00 H new ATOM 0 HD2 TYR A 55 -8.477 4.999 8.074 1.00 10.00 H new ATOM 0 HE1 TYR A 55 -4.160 3.300 6.432 1.00 10.00 H new ATOM 0 HE2 TYR A 55 -6.696 4.419 9.666 1.00 10.00 H new ATOM 0 HH TYR A 55 -4.636 3.676 9.945 1.00 10.00 H new ATOM 444 N ASN A 56 -10.653 2.572 5.217 1.00 10.00 N ATOM 445 CA ASN A 56 -11.371 1.466 5.840 1.00 10.00 C ATOM 446 C ASN A 56 -11.253 0.213 4.989 1.00 10.00 C ATOM 447 O ASN A 56 -10.928 -0.864 5.492 1.00 10.00 O ATOM 448 CB ASN A 56 -12.842 1.827 6.020 1.00 10.00 C ATOM 449 CG ASN A 56 -13.237 1.972 7.475 1.00 10.00 C ATOM 450 OD1 ASN A 56 -12.747 1.249 8.343 1.00 10.00 O ATOM 451 ND2 ASN A 56 -14.130 2.908 7.752 1.00 10.00 N ATOM 0 H ASN A 56 -11.239 3.372 4.977 1.00 10.00 H new ATOM 0 HA ASN A 56 -10.928 1.275 6.817 1.00 10.00 H new ATOM 0 HB2 ASN A 56 -13.049 2.761 5.497 1.00 10.00 H new ATOM 0 HB3 ASN A 56 -13.460 1.058 5.555 1.00 10.00 H new ATOM 0 HD21 ASN A 56 -14.437 3.051 8.714 1.00 10.00 H new ATOM 0 HD22 ASN A 56 -14.512 3.486 7.003 1.00 10.00 H new ATOM 458 N GLY A 57 -11.504 0.365 3.691 1.00 10.00 N ATOM 459 CA GLY A 57 -11.409 -0.757 2.777 1.00 10.00 C ATOM 460 C GLY A 57 -10.015 -1.353 2.759 1.00 10.00 C ATOM 461 O GLY A 57 -9.854 -2.572 2.812 1.00 10.00 O ATOM 0 H GLY A 57 -11.772 1.248 3.257 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -12.128 -1.523 3.066 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -11.678 -0.431 1.772 1.00 10.00 H new ATOM 465 N PHE A 58 -9.006 -0.483 2.707 1.00 10.00 N ATOM 466 CA PHE A 58 -7.609 -0.908 2.686 1.00 10.00 C ATOM 467 C PHE A 58 -7.292 -1.797 3.887 1.00 10.00 C ATOM 468 O PHE A 58 -6.629 -2.828 3.751 1.00 10.00 O ATOM 469 CB PHE A 58 -6.687 0.324 2.669 1.00 10.00 C ATOM 470 CG PHE A 58 -5.251 0.031 3.009 1.00 10.00 C ATOM 471 CD1 PHE A 58 -4.725 0.416 4.233 1.00 10.00 C ATOM 472 CD2 PHE A 58 -4.432 -0.631 2.111 1.00 10.00 C ATOM 473 CE1 PHE A 58 -3.409 0.145 4.554 1.00 10.00 C ATOM 474 CE2 PHE A 58 -3.115 -0.905 2.427 1.00 10.00 C ATOM 475 CZ PHE A 58 -2.603 -0.517 3.650 1.00 10.00 C ATOM 0 H PHE A 58 -9.134 0.529 2.678 1.00 10.00 H new ATOM 0 HA PHE A 58 -7.437 -1.492 1.782 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -6.728 0.779 1.679 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -7.072 1.060 3.375 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -5.352 0.934 4.944 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.826 -0.937 1.153 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -3.012 0.451 5.511 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.486 -1.422 1.718 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.574 -0.731 3.898 1.00 10.00 H new ATOM 485 N LEU A 59 -7.786 -1.396 5.053 1.00 10.00 N ATOM 486 CA LEU A 59 -7.561 -2.145 6.282 1.00 10.00 C ATOM 487 C LEU A 59 -8.217 -3.522 6.219 1.00 10.00 C ATOM 488 O LEU A 59 -7.661 -4.508 6.702 1.00 10.00 O ATOM 489 CB LEU A 59 -8.091 -1.361 7.484 1.00 10.00 C ATOM 490 CG LEU A 59 -7.375 -0.038 7.756 1.00 10.00 C ATOM 491 CD1 LEU A 59 -8.149 0.791 8.769 1.00 10.00 C ATOM 492 CD2 LEU A 59 -5.962 -0.285 8.252 1.00 10.00 C ATOM 0 H LEU A 59 -8.347 -0.553 5.172 1.00 10.00 H new ATOM 0 HA LEU A 59 -6.487 -2.289 6.397 1.00 10.00 H new ATOM 0 HB2 LEU A 59 -9.151 -1.159 7.329 1.00 10.00 H new ATOM 0 HB3 LEU A 59 -8.013 -1.989 8.372 1.00 10.00 H new ATOM 0 HG LEU A 59 -7.322 0.517 6.819 1.00 10.00 H new ATOM 0 HD11 LEU A 59 -7.623 1.729 8.949 1.00 10.00 H new ATOM 0 HD12 LEU A 59 -9.145 1.002 8.381 1.00 10.00 H new ATOM 0 HD13 LEU A 59 -8.234 0.237 9.704 1.00 10.00 H new ATOM 0 HD21 LEU A 59 -5.470 0.669 8.439 1.00 10.00 H new ATOM 0 HD22 LEU A 59 -5.996 -0.863 9.175 1.00 10.00 H new ATOM 0 HD23 LEU A 59 -5.403 -0.839 7.498 1.00 10.00 H new ATOM 504 N GLU A 60 -9.396 -3.584 5.615 1.00 10.00 N ATOM 505 CA GLU A 60 -10.129 -4.838 5.492 1.00 10.00 C ATOM 506 C GLU A 60 -9.448 -5.775 4.504 1.00 10.00 C ATOM 507 O GLU A 60 -9.377 -6.982 4.728 1.00 10.00 O ATOM 508 CB GLU A 60 -11.575 -4.575 5.060 1.00 10.00 C ATOM 509 CG GLU A 60 -12.378 -3.780 6.077 1.00 10.00 C ATOM 510 CD GLU A 60 -12.217 -4.307 7.488 1.00 10.00 C ATOM 511 OE1 GLU A 60 -12.532 -5.490 7.734 1.00 10.00 O ATOM 512 OE2 GLU A 60 -11.772 -3.544 8.365 1.00 10.00 O ATOM 0 H GLU A 60 -9.867 -2.779 5.202 1.00 10.00 H new ATOM 0 HA GLU A 60 -10.136 -5.319 6.470 1.00 10.00 H new ATOM 0 HB2 GLU A 60 -11.570 -4.037 4.112 1.00 10.00 H new ATOM 0 HB3 GLU A 60 -12.072 -5.529 4.882 1.00 10.00 H new ATOM 0 HG2 GLU A 60 -12.065 -2.736 6.045 1.00 10.00 H new ATOM 0 HG3 GLU A 60 -13.432 -3.806 5.802 1.00 10.00 H new ATOM 519 N ILE A 61 -8.949 -5.218 3.408 1.00 10.00 N ATOM 520 CA ILE A 61 -8.267 -6.011 2.386 1.00 10.00 C ATOM 521 C ILE A 61 -6.955 -6.563 2.929 1.00 10.00 C ATOM 522 O ILE A 61 -6.565 -7.691 2.622 1.00 10.00 O ATOM 523 CB ILE A 61 -7.986 -5.182 1.108 1.00 10.00 C ATOM 524 CG1 ILE A 61 -9.284 -4.574 0.572 1.00 10.00 C ATOM 525 CG2 ILE A 61 -7.332 -6.052 0.045 1.00 10.00 C ATOM 526 CD1 ILE A 61 -9.072 -3.523 -0.490 1.00 10.00 C ATOM 0 H ILE A 61 -9.002 -4.221 3.201 1.00 10.00 H new ATOM 0 HA ILE A 61 -8.930 -6.834 2.121 1.00 10.00 H new ATOM 0 HB ILE A 61 -7.302 -4.373 1.363 1.00 10.00 H new ATOM 0 HG12 ILE A 61 -9.905 -5.371 0.163 1.00 10.00 H new ATOM 0 HG13 ILE A 61 -9.837 -4.133 1.401 1.00 10.00 H new ATOM 0 HG21 ILE A 61 -7.141 -5.455 -0.847 1.00 10.00 H new ATOM 0 HG22 ILE A 61 -6.390 -6.446 0.426 1.00 10.00 H new ATOM 0 HG23 ILE A 61 -7.996 -6.879 -0.207 1.00 10.00 H new ATOM 0 HD11 ILE A 61 -10.037 -3.139 -0.820 1.00 10.00 H new ATOM 0 HD12 ILE A 61 -8.478 -2.706 -0.080 1.00 10.00 H new ATOM 0 HD13 ILE A 61 -8.547 -3.963 -1.338 1.00 10.00 H new ATOM 538 N MET A 62 -6.287 -5.765 3.753 1.00 10.00 N ATOM 539 CA MET A 62 -5.012 -6.162 4.348 1.00 10.00 C ATOM 540 C MET A 62 -5.157 -7.451 5.149 1.00 10.00 C ATOM 541 O MET A 62 -4.225 -8.256 5.224 1.00 10.00 O ATOM 542 CB MET A 62 -4.465 -5.047 5.247 1.00 10.00 C ATOM 543 CG MET A 62 -3.385 -4.197 4.595 1.00 10.00 C ATOM 544 SD MET A 62 -1.716 -4.824 4.887 1.00 10.00 S ATOM 545 CE MET A 62 -1.742 -6.338 3.930 1.00 10.00 C ATOM 0 H MET A 62 -6.606 -4.836 4.027 1.00 10.00 H new ATOM 0 HA MET A 62 -4.308 -6.339 3.535 1.00 10.00 H new ATOM 0 HB2 MET A 62 -5.289 -4.400 5.548 1.00 10.00 H new ATOM 0 HB3 MET A 62 -4.062 -5.493 6.156 1.00 10.00 H new ATOM 0 HG2 MET A 62 -3.566 -4.151 3.521 1.00 10.00 H new ATOM 0 HG3 MET A 62 -3.455 -3.178 4.974 1.00 10.00 H new ATOM 0 HE1 MET A 62 -0.720 -6.641 3.700 1.00 10.00 H new ATOM 0 HE2 MET A 62 -2.232 -7.124 4.505 1.00 10.00 H new ATOM 0 HE3 MET A 62 -2.289 -6.172 3.002 1.00 10.00 H new ATOM 555 N LYS A 63 -6.334 -7.642 5.736 1.00 10.00 N ATOM 556 CA LYS A 63 -6.612 -8.830 6.527 1.00 10.00 C ATOM 557 C LYS A 63 -6.541 -10.084 5.665 1.00 10.00 C ATOM 558 O LYS A 63 -5.929 -11.076 6.048 1.00 10.00 O ATOM 559 CB LYS A 63 -7.997 -8.732 7.173 1.00 10.00 C ATOM 560 CG LYS A 63 -8.133 -7.612 8.196 1.00 10.00 C ATOM 561 CD LYS A 63 -9.588 -7.365 8.547 1.00 10.00 C ATOM 562 CE LYS A 63 -9.738 -6.334 9.655 1.00 10.00 C ATOM 563 NZ LYS A 63 -11.159 -6.116 10.019 1.00 10.00 N ATOM 0 H LYS A 63 -7.112 -6.985 5.677 1.00 10.00 H new ATOM 0 HA LYS A 63 -5.855 -8.896 7.308 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -8.741 -8.585 6.390 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -8.227 -9.681 7.658 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -7.577 -7.870 9.098 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -7.691 -6.698 7.799 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -10.123 -7.025 7.660 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -10.050 -8.302 8.858 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -9.184 -6.663 10.534 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.296 -5.390 9.335 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -11.262 -5.188 10.477 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -11.746 -6.146 9.161 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -11.468 -6.862 10.675 1.00 10.00 H new ATOM 577 N GLU A 64 -7.154 -10.016 4.492 1.00 10.00 N ATOM 578 CA GLU A 64 -7.187 -11.145 3.565 1.00 10.00 C ATOM 579 C GLU A 64 -5.780 -11.575 3.149 1.00 10.00 C ATOM 580 O GLU A 64 -5.509 -12.766 2.977 1.00 10.00 O ATOM 581 CB GLU A 64 -8.007 -10.775 2.327 1.00 10.00 C ATOM 582 CG GLU A 64 -9.329 -10.099 2.655 1.00 10.00 C ATOM 583 CD GLU A 64 -10.081 -9.632 1.423 1.00 10.00 C ATOM 584 OE1 GLU A 64 -11.311 -9.436 1.517 1.00 10.00 O ATOM 585 OE2 GLU A 64 -9.451 -9.447 0.359 1.00 10.00 O ATOM 0 H GLU A 64 -7.640 -9.185 4.155 1.00 10.00 H new ATOM 0 HA GLU A 64 -7.654 -11.986 4.077 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.416 -10.112 1.694 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.203 -11.677 1.748 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -9.956 -10.793 3.215 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -9.142 -9.244 3.305 1.00 10.00 H new ATOM 592 N PHE A 65 -4.888 -10.604 2.995 1.00 10.00 N ATOM 593 CA PHE A 65 -3.513 -10.889 2.594 1.00 10.00 C ATOM 594 C PHE A 65 -2.776 -11.662 3.687 1.00 10.00 C ATOM 595 O PHE A 65 -2.048 -12.618 3.405 1.00 10.00 O ATOM 596 CB PHE A 65 -2.778 -9.586 2.280 1.00 10.00 C ATOM 597 CG PHE A 65 -1.454 -9.792 1.597 1.00 10.00 C ATOM 598 CD1 PHE A 65 -0.261 -9.544 2.262 1.00 10.00 C ATOM 599 CD2 PHE A 65 -1.405 -10.235 0.287 1.00 10.00 C ATOM 600 CE1 PHE A 65 0.952 -9.732 1.626 1.00 10.00 C ATOM 601 CE2 PHE A 65 -0.195 -10.426 -0.351 1.00 10.00 C ATOM 602 CZ PHE A 65 0.984 -10.175 0.319 1.00 10.00 C ATOM 0 H PHE A 65 -5.090 -9.615 3.141 1.00 10.00 H new ATOM 0 HA PHE A 65 -3.538 -11.508 1.697 1.00 10.00 H new ATOM 0 HB2 PHE A 65 -3.411 -8.965 1.647 1.00 10.00 H new ATOM 0 HB3 PHE A 65 -2.617 -9.036 3.207 1.00 10.00 H new ATOM 0 HD1 PHE A 65 -0.281 -9.201 3.286 1.00 10.00 H new ATOM 0 HD2 PHE A 65 -2.325 -10.434 -0.243 1.00 10.00 H new ATOM 0 HE1 PHE A 65 1.874 -9.532 2.151 1.00 10.00 H new ATOM 0 HE2 PHE A 65 -0.172 -10.772 -1.374 1.00 10.00 H new ATOM 0 HZ PHE A 65 1.931 -10.325 -0.178 1.00 10.00 H new ATOM 612 N LYS A 66 -2.974 -11.240 4.929 1.00 10.00 N ATOM 613 CA LYS A 66 -2.332 -11.883 6.070 1.00 10.00 C ATOM 614 C LYS A 66 -2.992 -13.219 6.390 1.00 10.00 C ATOM 615 O LYS A 66 -2.364 -14.105 6.965 1.00 10.00 O ATOM 616 CB LYS A 66 -2.367 -10.955 7.286 1.00 10.00 C ATOM 617 CG LYS A 66 -1.569 -9.677 7.072 1.00 10.00 C ATOM 618 CD LYS A 66 -1.552 -8.807 8.317 1.00 10.00 C ATOM 619 CE LYS A 66 -0.902 -9.518 9.492 1.00 10.00 C ATOM 620 NZ LYS A 66 -0.514 -8.569 10.570 1.00 10.00 N ATOM 0 H LYS A 66 -3.576 -10.453 5.173 1.00 10.00 H new ATOM 0 HA LYS A 66 -1.292 -12.081 5.812 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -3.402 -10.699 7.513 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -1.972 -11.484 8.153 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -0.547 -9.930 6.791 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -1.998 -9.115 6.242 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -1.013 -7.883 8.108 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -2.572 -8.528 8.580 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -1.592 -10.261 9.893 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -0.019 -10.056 9.147 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -0.074 -9.094 11.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 0.164 -7.875 10.194 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -1.360 -8.074 10.917 1.00 10.00 H new ATOM 634 N SER A 67 -4.251 -13.369 5.997 1.00 10.00 N ATOM 635 CA SER A 67 -4.984 -14.609 6.225 1.00 10.00 C ATOM 636 C SER A 67 -4.590 -15.663 5.190 1.00 10.00 C ATOM 637 O SER A 67 -5.155 -16.758 5.155 1.00 10.00 O ATOM 638 CB SER A 67 -6.492 -14.352 6.177 1.00 10.00 C ATOM 639 OG SER A 67 -6.892 -13.471 7.215 1.00 10.00 O ATOM 0 H SER A 67 -4.787 -12.646 5.518 1.00 10.00 H new ATOM 0 HA SER A 67 -4.726 -14.985 7.215 1.00 10.00 H new ATOM 0 HB2 SER A 67 -6.761 -13.926 5.210 1.00 10.00 H new ATOM 0 HB3 SER A 67 -7.028 -15.296 6.270 1.00 10.00 H new ATOM 0 HG SER A 67 -6.647 -12.552 6.977 1.00 10.00 H new ATOM 645 N GLN A 68 -3.605 -15.319 4.356 1.00 10.00 N ATOM 646 CA GLN A 68 -3.104 -16.212 3.312 1.00 10.00 C ATOM 647 C GLN A 68 -4.203 -16.548 2.312 1.00 10.00 C ATOM 648 O GLN A 68 -4.245 -17.651 1.769 1.00 10.00 O ATOM 649 CB GLN A 68 -2.526 -17.496 3.918 1.00 10.00 C ATOM 650 CG GLN A 68 -1.284 -17.255 4.752 1.00 10.00 C ATOM 651 CD GLN A 68 -0.711 -18.529 5.332 1.00 10.00 C ATOM 652 OE1 GLN A 68 0.078 -19.218 4.685 1.00 10.00 O ATOM 653 NE2 GLN A 68 -1.092 -18.849 6.557 1.00 10.00 N ATOM 0 H GLN A 68 -3.134 -14.415 4.387 1.00 10.00 H new ATOM 0 HA GLN A 68 -2.305 -15.691 2.785 1.00 10.00 H new ATOM 0 HB2 GLN A 68 -3.286 -17.972 4.538 1.00 10.00 H new ATOM 0 HB3 GLN A 68 -2.287 -18.194 3.115 1.00 10.00 H new ATOM 0 HG2 GLN A 68 -0.527 -16.769 4.136 1.00 10.00 H new ATOM 0 HG3 GLN A 68 -1.524 -16.568 5.563 1.00 10.00 H new ATOM 0 HE21 GLN A 68 -1.748 -18.251 7.060 1.00 10.00 H new ATOM 0 HE22 GLN A 68 -0.730 -19.694 6.999 1.00 10.00 H new ATOM 662 N SER A 69 -5.091 -15.593 2.072 1.00 10.00 N ATOM 663 CA SER A 69 -6.190 -15.786 1.138 1.00 10.00 C ATOM 664 C SER A 69 -5.821 -15.278 -0.257 1.00 10.00 C ATOM 665 O SER A 69 -6.361 -15.747 -1.263 1.00 10.00 O ATOM 666 CB SER A 69 -7.438 -15.078 1.665 1.00 10.00 C ATOM 667 OG SER A 69 -7.628 -15.374 3.039 1.00 10.00 O ATOM 0 H SER A 69 -5.071 -14.674 2.513 1.00 10.00 H new ATOM 0 HA SER A 69 -6.397 -16.853 1.052 1.00 10.00 H new ATOM 0 HB2 SER A 69 -7.339 -14.001 1.528 1.00 10.00 H new ATOM 0 HB3 SER A 69 -8.311 -15.393 1.094 1.00 10.00 H new ATOM 0 HG SER A 69 -8.429 -14.913 3.365 1.00 10.00 H new ATOM 673 N ILE A 70 -4.900 -14.318 -0.308 1.00 10.00 N ATOM 674 CA ILE A 70 -4.446 -13.747 -1.572 1.00 10.00 C ATOM 675 C ILE A 70 -2.938 -13.513 -1.546 1.00 10.00 C ATOM 676 O ILE A 70 -2.331 -13.420 -0.478 1.00 10.00 O ATOM 677 CB ILE A 70 -5.159 -12.410 -1.893 1.00 10.00 C ATOM 678 CG1 ILE A 70 -5.229 -11.519 -0.646 1.00 10.00 C ATOM 679 CG2 ILE A 70 -6.551 -12.667 -2.452 1.00 10.00 C ATOM 680 CD1 ILE A 70 -5.777 -10.133 -0.912 1.00 10.00 C ATOM 0 H ILE A 70 -4.452 -13.918 0.517 1.00 10.00 H new ATOM 0 HA ILE A 70 -4.696 -14.468 -2.351 1.00 10.00 H new ATOM 0 HB ILE A 70 -4.578 -11.885 -2.652 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -5.852 -12.008 0.103 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -4.230 -11.428 -0.220 1.00 10.00 H new ATOM 0 HG21 ILE A 70 -7.036 -11.716 -2.671 1.00 10.00 H new ATOM 0 HG22 ILE A 70 -6.473 -13.254 -3.367 1.00 10.00 H new ATOM 0 HG23 ILE A 70 -7.142 -13.215 -1.718 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -5.795 -9.564 0.018 1.00 10.00 H new ATOM 0 HD12 ILE A 70 -5.142 -9.624 -1.637 1.00 10.00 H new ATOM 0 HD13 ILE A 70 -6.789 -10.212 -1.309 1.00 10.00 H new ATOM 692 N ASP A 71 -2.337 -13.427 -2.724 1.00 10.00 N ATOM 693 CA ASP A 71 -0.900 -13.202 -2.836 1.00 10.00 C ATOM 694 C ASP A 71 -0.626 -11.899 -3.581 1.00 10.00 C ATOM 695 O ASP A 71 -1.496 -11.032 -3.645 1.00 10.00 O ATOM 696 CB ASP A 71 -0.218 -14.380 -3.548 1.00 10.00 C ATOM 697 CG ASP A 71 -0.136 -15.624 -2.684 1.00 10.00 C ATOM 698 OD1 ASP A 71 0.568 -15.599 -1.649 1.00 10.00 O ATOM 699 OD2 ASP A 71 -0.763 -16.646 -3.045 1.00 10.00 O ATOM 0 H ASP A 71 -2.821 -13.510 -3.618 1.00 10.00 H new ATOM 0 HA ASP A 71 -0.485 -13.125 -1.831 1.00 10.00 H new ATOM 0 HB2 ASP A 71 -0.766 -14.613 -4.461 1.00 10.00 H new ATOM 0 HB3 ASP A 71 0.788 -14.084 -3.847 1.00 10.00 H new ATOM 704 N THR A 72 0.578 -11.768 -4.135 1.00 10.00 N ATOM 705 CA THR A 72 0.980 -10.574 -4.869 1.00 10.00 C ATOM 706 C THR A 72 -0.074 -10.130 -5.904 1.00 10.00 C ATOM 707 O THR A 72 -0.602 -9.024 -5.799 1.00 10.00 O ATOM 708 CB THR A 72 2.345 -10.781 -5.558 1.00 10.00 C ATOM 709 OG1 THR A 72 3.112 -11.745 -4.828 1.00 10.00 O ATOM 710 CG2 THR A 72 3.117 -9.472 -5.643 1.00 10.00 C ATOM 0 H THR A 72 1.300 -12.487 -4.087 1.00 10.00 H new ATOM 0 HA THR A 72 1.069 -9.776 -4.132 1.00 10.00 H new ATOM 0 HB THR A 72 2.167 -11.142 -6.571 1.00 10.00 H new ATOM 0 HG1 THR A 72 3.978 -11.876 -5.269 1.00 10.00 H new ATOM 0 HG21 THR A 72 4.075 -9.646 -6.133 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.542 -8.747 -6.219 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.288 -9.085 -4.639 1.00 10.00 H new ATOM 718 N PRO A 73 -0.433 -10.976 -6.899 1.00 10.00 N ATOM 719 CA PRO A 73 -1.421 -10.591 -7.917 1.00 10.00 C ATOM 720 C PRO A 73 -2.801 -10.320 -7.326 1.00 10.00 C ATOM 721 O PRO A 73 -3.525 -9.433 -7.786 1.00 10.00 O ATOM 722 CB PRO A 73 -1.462 -11.800 -8.858 1.00 10.00 C ATOM 723 CG PRO A 73 -0.927 -12.938 -8.067 1.00 10.00 C ATOM 724 CD PRO A 73 0.072 -12.347 -7.117 1.00 10.00 C ATOM 0 HA PRO A 73 -1.145 -9.661 -8.413 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -2.479 -12.000 -9.195 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -0.860 -11.624 -9.749 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.725 -13.447 -7.527 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -0.458 -13.678 -8.716 1.00 10.00 H new ATOM 0 HD2 PRO A 73 0.122 -12.910 -6.185 1.00 10.00 H new ATOM 0 HD3 PRO A 73 1.076 -12.343 -7.541 1.00 10.00 H new ATOM 732 N GLY A 74 -3.154 -11.076 -6.300 1.00 10.00 N ATOM 733 CA GLY A 74 -4.442 -10.912 -5.658 1.00 10.00 C ATOM 734 C GLY A 74 -4.569 -9.573 -4.960 1.00 10.00 C ATOM 735 O GLY A 74 -5.596 -8.899 -5.076 1.00 10.00 O ATOM 0 H GLY A 74 -2.567 -11.806 -5.897 1.00 10.00 H new ATOM 0 HA2 GLY A 74 -5.232 -11.007 -6.403 1.00 10.00 H new ATOM 0 HA3 GLY A 74 -4.589 -11.713 -4.933 1.00 10.00 H new ATOM 739 N VAL A 75 -3.526 -9.179 -4.237 1.00 10.00 N ATOM 740 CA VAL A 75 -3.540 -7.913 -3.520 1.00 10.00 C ATOM 741 C VAL A 75 -3.361 -6.736 -4.485 1.00 10.00 C ATOM 742 O VAL A 75 -3.965 -5.682 -4.298 1.00 10.00 O ATOM 743 CB VAL A 75 -2.473 -7.874 -2.393 1.00 10.00 C ATOM 744 CG1 VAL A 75 -1.066 -7.796 -2.952 1.00 10.00 C ATOM 745 CG2 VAL A 75 -2.740 -6.715 -1.441 1.00 10.00 C ATOM 0 H VAL A 75 -2.665 -9.716 -4.133 1.00 10.00 H new ATOM 0 HA VAL A 75 -4.516 -7.821 -3.044 1.00 10.00 H new ATOM 0 HB VAL A 75 -2.551 -8.808 -1.836 1.00 10.00 H new ATOM 0 HG11 VAL A 75 -0.349 -7.771 -2.131 1.00 10.00 H new ATOM 0 HG12 VAL A 75 -0.873 -8.669 -3.575 1.00 10.00 H new ATOM 0 HG13 VAL A 75 -0.963 -6.892 -3.552 1.00 10.00 H new ATOM 0 HG21 VAL A 75 -1.981 -6.705 -0.658 1.00 10.00 H new ATOM 0 HG22 VAL A 75 -2.705 -5.776 -1.993 1.00 10.00 H new ATOM 0 HG23 VAL A 75 -3.725 -6.834 -0.990 1.00 10.00 H new ATOM 755 N ILE A 76 -2.554 -6.927 -5.532 1.00 10.00 N ATOM 756 CA ILE A 76 -2.321 -5.875 -6.518 1.00 10.00 C ATOM 757 C ILE A 76 -3.622 -5.523 -7.228 1.00 10.00 C ATOM 758 O ILE A 76 -3.894 -4.353 -7.492 1.00 10.00 O ATOM 759 CB ILE A 76 -1.235 -6.272 -7.553 1.00 10.00 C ATOM 760 CG1 ILE A 76 0.143 -6.301 -6.891 1.00 10.00 C ATOM 761 CG2 ILE A 76 -1.221 -5.309 -8.733 1.00 10.00 C ATOM 762 CD1 ILE A 76 1.241 -6.823 -7.793 1.00 10.00 C ATOM 0 H ILE A 76 -2.054 -7.797 -5.716 1.00 10.00 H new ATOM 0 HA ILE A 76 -1.953 -5.001 -5.981 1.00 10.00 H new ATOM 0 HB ILE A 76 -1.476 -7.268 -7.926 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.401 -5.293 -6.565 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.094 -6.922 -5.997 1.00 10.00 H new ATOM 0 HG21 ILE A 76 -0.450 -5.613 -9.441 1.00 10.00 H new ATOM 0 HG22 ILE A 76 -2.193 -5.324 -9.226 1.00 10.00 H new ATOM 0 HG23 ILE A 76 -1.010 -4.301 -8.377 1.00 10.00 H new ATOM 0 HD11 ILE A 76 2.189 -6.814 -7.255 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.007 -7.843 -8.099 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.319 -6.189 -8.676 1.00 10.00 H new ATOM 774 N ARG A 77 -4.442 -6.539 -7.497 1.00 10.00 N ATOM 775 CA ARG A 77 -5.727 -6.333 -8.160 1.00 10.00 C ATOM 776 C ARG A 77 -6.607 -5.403 -7.327 1.00 10.00 C ATOM 777 O ARG A 77 -7.439 -4.667 -7.856 1.00 10.00 O ATOM 778 CB ARG A 77 -6.430 -7.675 -8.377 1.00 10.00 C ATOM 779 CG ARG A 77 -7.668 -7.582 -9.263 1.00 10.00 C ATOM 780 CD ARG A 77 -8.231 -8.953 -9.599 1.00 10.00 C ATOM 781 NE ARG A 77 -8.625 -9.693 -8.402 1.00 10.00 N ATOM 782 CZ ARG A 77 -8.281 -10.955 -8.158 1.00 10.00 C ATOM 783 NH1 ARG A 77 -7.546 -11.638 -9.026 1.00 10.00 N ATOM 784 NH2 ARG A 77 -8.672 -11.537 -7.034 1.00 10.00 N ATOM 0 H ARG A 77 -4.238 -7.511 -7.266 1.00 10.00 H new ATOM 0 HA ARG A 77 -5.551 -5.870 -9.131 1.00 10.00 H new ATOM 0 HB2 ARG A 77 -5.726 -8.376 -8.825 1.00 10.00 H new ATOM 0 HB3 ARG A 77 -6.717 -8.086 -7.409 1.00 10.00 H new ATOM 0 HG2 ARG A 77 -8.432 -6.990 -8.758 1.00 10.00 H new ATOM 0 HG3 ARG A 77 -7.416 -7.058 -10.185 1.00 10.00 H new ATOM 0 HD2 ARG A 77 -9.094 -8.839 -10.255 1.00 10.00 H new ATOM 0 HD3 ARG A 77 -7.485 -9.526 -10.150 1.00 10.00 H new ATOM 0 HE ARG A 77 -9.200 -9.212 -7.710 1.00 10.00 H new ATOM 0 HH11 ARG A 77 -7.238 -11.196 -9.892 1.00 10.00 H new ATOM 0 HH12 ARG A 77 -7.289 -12.605 -8.827 1.00 10.00 H new ATOM 0 HH21 ARG A 77 -9.234 -11.018 -6.360 1.00 10.00 H new ATOM 0 HH22 ARG A 77 -8.411 -12.504 -6.843 1.00 10.00 H new ATOM 798 N ARG A 78 -6.410 -5.445 -6.019 1.00 10.00 N ATOM 799 CA ARG A 78 -7.164 -4.606 -5.104 1.00 10.00 C ATOM 800 C ARG A 78 -6.547 -3.213 -5.059 1.00 10.00 C ATOM 801 O ARG A 78 -7.251 -2.205 -5.080 1.00 10.00 O ATOM 802 CB ARG A 78 -7.177 -5.224 -3.706 1.00 10.00 C ATOM 803 CG ARG A 78 -7.623 -6.677 -3.688 1.00 10.00 C ATOM 804 CD ARG A 78 -9.138 -6.798 -3.699 1.00 10.00 C ATOM 805 NE ARG A 78 -9.639 -7.363 -2.446 1.00 10.00 N ATOM 806 CZ ARG A 78 -10.702 -6.907 -1.783 1.00 10.00 C ATOM 807 NH1 ARG A 78 -11.395 -5.874 -2.255 1.00 10.00 N ATOM 808 NH2 ARG A 78 -11.063 -7.480 -0.643 1.00 10.00 N ATOM 0 H ARG A 78 -5.730 -6.055 -5.566 1.00 10.00 H new ATOM 0 HA ARG A 78 -8.192 -4.530 -5.457 1.00 10.00 H new ATOM 0 HB2 ARG A 78 -6.177 -5.154 -3.277 1.00 10.00 H new ATOM 0 HB3 ARG A 78 -7.840 -4.641 -3.066 1.00 10.00 H new ATOM 0 HG2 ARG A 78 -7.210 -7.196 -4.553 1.00 10.00 H new ATOM 0 HG3 ARG A 78 -7.225 -7.169 -2.801 1.00 10.00 H new ATOM 0 HD2 ARG A 78 -9.582 -5.815 -3.859 1.00 10.00 H new ATOM 0 HD3 ARG A 78 -9.448 -7.428 -4.533 1.00 10.00 H new ATOM 0 HE ARG A 78 -9.141 -8.161 -2.052 1.00 10.00 H new ATOM 0 HH11 ARG A 78 -11.114 -5.427 -3.128 1.00 10.00 H new ATOM 0 HH12 ARG A 78 -12.208 -5.529 -1.744 1.00 10.00 H new ATOM 0 HH21 ARG A 78 -10.528 -8.267 -0.276 1.00 10.00 H new ATOM 0 HH22 ARG A 78 -11.876 -7.134 -0.133 1.00 10.00 H new ATOM 822 N VAL A 79 -5.223 -3.174 -5.014 1.00 10.00 N ATOM 823 CA VAL A 79 -4.479 -1.918 -4.972 1.00 10.00 C ATOM 824 C VAL A 79 -4.789 -1.065 -6.199 1.00 10.00 C ATOM 825 O VAL A 79 -5.061 0.132 -6.085 1.00 10.00 O ATOM 826 CB VAL A 79 -2.957 -2.171 -4.893 1.00 10.00 C ATOM 827 CG1 VAL A 79 -2.172 -0.869 -4.942 1.00 10.00 C ATOM 828 CG2 VAL A 79 -2.611 -2.952 -3.634 1.00 10.00 C ATOM 0 H VAL A 79 -4.634 -4.007 -5.005 1.00 10.00 H new ATOM 0 HA VAL A 79 -4.792 -1.384 -4.075 1.00 10.00 H new ATOM 0 HB VAL A 79 -2.674 -2.763 -5.763 1.00 10.00 H new ATOM 0 HG11 VAL A 79 -1.105 -1.085 -4.884 1.00 10.00 H new ATOM 0 HG12 VAL A 79 -2.387 -0.349 -5.876 1.00 10.00 H new ATOM 0 HG13 VAL A 79 -2.461 -0.238 -4.101 1.00 10.00 H new ATOM 0 HG21 VAL A 79 -1.535 -3.121 -3.595 1.00 10.00 H new ATOM 0 HG22 VAL A 79 -2.921 -2.384 -2.757 1.00 10.00 H new ATOM 0 HG23 VAL A 79 -3.129 -3.911 -3.647 1.00 10.00 H new ATOM 838 N SER A 80 -4.761 -1.696 -7.368 1.00 10.00 N ATOM 839 CA SER A 80 -5.032 -1.009 -8.625 1.00 10.00 C ATOM 840 C SER A 80 -6.460 -0.465 -8.670 1.00 10.00 C ATOM 841 O SER A 80 -6.723 0.537 -9.330 1.00 10.00 O ATOM 842 CB SER A 80 -4.801 -1.961 -9.801 1.00 10.00 C ATOM 843 OG SER A 80 -3.463 -2.434 -9.820 1.00 10.00 O ATOM 0 H SER A 80 -4.552 -2.689 -7.471 1.00 10.00 H new ATOM 0 HA SER A 80 -4.348 -0.164 -8.699 1.00 10.00 H new ATOM 0 HB2 SER A 80 -5.487 -2.805 -9.730 1.00 10.00 H new ATOM 0 HB3 SER A 80 -5.022 -1.448 -10.737 1.00 10.00 H new ATOM 0 HG SER A 80 -3.343 -3.104 -9.115 1.00 10.00 H new ATOM 849 N GLN A 81 -7.375 -1.123 -7.968 1.00 10.00 N ATOM 850 CA GLN A 81 -8.768 -0.701 -7.946 1.00 10.00 C ATOM 851 C GLN A 81 -9.005 0.379 -6.895 1.00 10.00 C ATOM 852 O GLN A 81 -9.740 1.335 -7.133 1.00 10.00 O ATOM 853 CB GLN A 81 -9.685 -1.894 -7.683 1.00 10.00 C ATOM 854 CG GLN A 81 -9.956 -2.736 -8.917 1.00 10.00 C ATOM 855 CD GLN A 81 -10.750 -1.982 -9.967 1.00 10.00 C ATOM 856 OE1 GLN A 81 -11.980 -1.984 -9.945 1.00 10.00 O ATOM 857 NE2 GLN A 81 -10.057 -1.345 -10.896 1.00 10.00 N ATOM 0 H GLN A 81 -7.176 -1.951 -7.407 1.00 10.00 H new ATOM 0 HA GLN A 81 -9.001 -0.281 -8.925 1.00 10.00 H new ATOM 0 HB2 GLN A 81 -9.236 -2.524 -6.915 1.00 10.00 H new ATOM 0 HB3 GLN A 81 -10.633 -1.532 -7.285 1.00 10.00 H new ATOM 0 HG2 GLN A 81 -9.009 -3.062 -9.346 1.00 10.00 H new ATOM 0 HG3 GLN A 81 -10.502 -3.634 -8.628 1.00 10.00 H new ATOM 0 HE21 GLN A 81 -9.037 -1.369 -10.878 1.00 10.00 H new ATOM 0 HE22 GLN A 81 -10.542 -0.830 -11.631 1.00 10.00 H new ATOM 866 N LEU A 82 -8.381 0.217 -5.737 1.00 10.00 N ATOM 867 CA LEU A 82 -8.533 1.170 -4.646 1.00 10.00 C ATOM 868 C LEU A 82 -7.957 2.531 -5.023 1.00 10.00 C ATOM 869 O LEU A 82 -8.593 3.570 -4.831 1.00 10.00 O ATOM 870 CB LEU A 82 -7.837 0.642 -3.391 1.00 10.00 C ATOM 871 CG LEU A 82 -8.516 0.997 -2.069 1.00 10.00 C ATOM 872 CD1 LEU A 82 -9.863 0.301 -1.953 1.00 10.00 C ATOM 873 CD2 LEU A 82 -7.618 0.630 -0.897 1.00 10.00 C ATOM 0 H LEU A 82 -7.763 -0.567 -5.528 1.00 10.00 H new ATOM 0 HA LEU A 82 -9.598 1.292 -4.447 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -7.766 -0.443 -3.464 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -6.818 1.027 -3.372 1.00 10.00 H new ATOM 0 HG LEU A 82 -8.688 2.073 -2.048 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -10.330 0.567 -1.005 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -10.507 0.615 -2.775 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -9.720 -0.779 -1.996 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -8.116 0.889 0.038 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -7.415 -0.441 -0.915 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -6.679 1.179 -0.972 1.00 10.00 H new ATOM 885 N PHE A 83 -6.752 2.520 -5.569 1.00 10.00 N ATOM 886 CA PHE A 83 -6.093 3.750 -5.974 1.00 10.00 C ATOM 887 C PHE A 83 -6.215 3.937 -7.482 1.00 10.00 C ATOM 888 O PHE A 83 -5.248 4.277 -8.160 1.00 10.00 O ATOM 889 CB PHE A 83 -4.622 3.744 -5.546 1.00 10.00 C ATOM 890 CG PHE A 83 -4.413 3.345 -4.114 1.00 10.00 C ATOM 891 CD1 PHE A 83 -4.982 4.078 -3.085 1.00 10.00 C ATOM 892 CD2 PHE A 83 -3.642 2.239 -3.797 1.00 10.00 C ATOM 893 CE1 PHE A 83 -4.786 3.714 -1.765 1.00 10.00 C ATOM 894 CE2 PHE A 83 -3.443 1.870 -2.480 1.00 10.00 C ATOM 895 CZ PHE A 83 -4.014 2.609 -1.463 1.00 10.00 C ATOM 0 H PHE A 83 -6.211 1.673 -5.742 1.00 10.00 H new ATOM 0 HA PHE A 83 -6.584 4.587 -5.478 1.00 10.00 H new ATOM 0 HB2 PHE A 83 -4.068 3.060 -6.189 1.00 10.00 H new ATOM 0 HB3 PHE A 83 -4.203 4.738 -5.702 1.00 10.00 H new ATOM 0 HD1 PHE A 83 -5.585 4.943 -3.316 1.00 10.00 H new ATOM 0 HD2 PHE A 83 -3.191 1.658 -4.588 1.00 10.00 H new ATOM 0 HE1 PHE A 83 -5.236 4.293 -0.972 1.00 10.00 H new ATOM 0 HE2 PHE A 83 -2.841 1.004 -2.247 1.00 10.00 H new ATOM 0 HZ PHE A 83 -3.857 2.324 -0.433 1.00 10.00 H new ATOM 905 N HIS A 84 -7.421 3.720 -8.000 1.00 10.00 N ATOM 906 CA HIS A 84 -7.677 3.853 -9.431 1.00 10.00 C ATOM 907 C HIS A 84 -7.469 5.294 -9.902 1.00 10.00 C ATOM 908 O HIS A 84 -7.088 5.536 -11.049 1.00 10.00 O ATOM 909 CB HIS A 84 -9.097 3.372 -9.780 1.00 10.00 C ATOM 910 CG HIS A 84 -10.201 4.285 -9.323 1.00 10.00 C ATOM 911 ND1 HIS A 84 -11.052 4.877 -10.228 1.00 10.00 N ATOM 912 CD2 HIS A 84 -10.550 4.669 -8.068 1.00 10.00 C ATOM 913 CE1 HIS A 84 -11.892 5.605 -9.511 1.00 10.00 C ATOM 914 NE2 HIS A 84 -11.624 5.511 -8.202 1.00 10.00 N ATOM 0 H HIS A 84 -8.237 3.451 -7.450 1.00 10.00 H new ATOM 0 HA HIS A 84 -6.959 3.221 -9.954 1.00 10.00 H new ATOM 0 HB2 HIS A 84 -9.169 3.250 -10.861 1.00 10.00 H new ATOM 0 HB3 HIS A 84 -9.251 2.388 -9.337 1.00 10.00 H new ATOM 0 HD2 HIS A 84 -10.075 4.370 -7.145 1.00 10.00 H new ATOM 0 HE1 HIS A 84 -12.692 6.199 -9.928 1.00 10.00 H new ATOM 0 HE2 HIS A 84 -12.125 5.978 -7.446 1.00 10.00 H new ATOM 922 N GLU A 85 -7.699 6.246 -9.007 1.00 10.00 N ATOM 923 CA GLU A 85 -7.540 7.652 -9.336 1.00 10.00 C ATOM 924 C GLU A 85 -6.195 8.176 -8.847 1.00 10.00 C ATOM 925 O GLU A 85 -5.912 9.371 -8.932 1.00 10.00 O ATOM 926 CB GLU A 85 -8.678 8.471 -8.729 1.00 10.00 C ATOM 927 CG GLU A 85 -9.911 8.545 -9.616 1.00 10.00 C ATOM 928 CD GLU A 85 -9.691 9.397 -10.847 1.00 10.00 C ATOM 929 OE1 GLU A 85 -9.762 8.861 -11.974 1.00 10.00 O ATOM 930 OE2 GLU A 85 -9.456 10.613 -10.694 1.00 10.00 O ATOM 0 H GLU A 85 -7.996 6.068 -8.048 1.00 10.00 H new ATOM 0 HA GLU A 85 -7.572 7.753 -10.421 1.00 10.00 H new ATOM 0 HB2 GLU A 85 -8.956 8.036 -7.769 1.00 10.00 H new ATOM 0 HB3 GLU A 85 -8.322 9.482 -8.530 1.00 10.00 H new ATOM 0 HG2 GLU A 85 -10.195 7.538 -9.921 1.00 10.00 H new ATOM 0 HG3 GLU A 85 -10.744 8.951 -9.042 1.00 10.00 H new ATOM 937 N HIS A 86 -5.362 7.278 -8.343 1.00 10.00 N ATOM 938 CA HIS A 86 -4.057 7.660 -7.835 1.00 10.00 C ATOM 939 C HIS A 86 -2.997 6.655 -8.279 1.00 10.00 C ATOM 940 O HIS A 86 -2.481 5.883 -7.469 1.00 10.00 O ATOM 941 CB HIS A 86 -4.087 7.750 -6.309 1.00 10.00 C ATOM 942 CG HIS A 86 -4.867 8.917 -5.772 1.00 10.00 C ATOM 943 ND1 HIS A 86 -6.127 8.755 -5.241 1.00 10.00 N ATOM 944 CD2 HIS A 86 -4.529 10.233 -5.715 1.00 10.00 C ATOM 945 CE1 HIS A 86 -6.525 9.964 -4.874 1.00 10.00 C ATOM 946 NE2 HIS A 86 -5.591 10.887 -5.142 1.00 10.00 N ATOM 0 H HIS A 86 -5.568 6.281 -8.276 1.00 10.00 H new ATOM 0 HA HIS A 86 -3.802 8.639 -8.241 1.00 10.00 H new ATOM 0 HB2 HIS A 86 -4.514 6.829 -5.911 1.00 10.00 H new ATOM 0 HB3 HIS A 86 -3.063 7.812 -5.940 1.00 10.00 H new ATOM 0 HD2 HIS A 86 -3.605 10.677 -6.054 1.00 10.00 H new ATOM 0 HE1 HIS A 86 -7.480 10.178 -4.417 1.00 10.00 H new ATOM 0 HE2 HIS A 86 -5.657 11.888 -4.955 1.00 10.00 H new ATOM 954 N PRO A 87 -2.654 6.654 -9.580 1.00 10.00 N ATOM 955 CA PRO A 87 -1.654 5.731 -10.127 1.00 10.00 C ATOM 956 C PRO A 87 -0.273 5.952 -9.524 1.00 10.00 C ATOM 957 O PRO A 87 0.500 5.011 -9.366 1.00 10.00 O ATOM 958 CB PRO A 87 -1.643 6.056 -11.624 1.00 10.00 C ATOM 959 CG PRO A 87 -2.215 7.424 -11.736 1.00 10.00 C ATOM 960 CD PRO A 87 -3.207 7.548 -10.616 1.00 10.00 C ATOM 0 HA PRO A 87 -1.899 4.692 -9.908 1.00 10.00 H new ATOM 0 HB2 PRO A 87 -0.631 6.019 -12.026 1.00 10.00 H new ATOM 0 HB3 PRO A 87 -2.236 5.335 -12.187 1.00 10.00 H new ATOM 0 HG2 PRO A 87 -1.435 8.181 -11.653 1.00 10.00 H new ATOM 0 HG3 PRO A 87 -2.697 7.568 -12.703 1.00 10.00 H new ATOM 0 HD2 PRO A 87 -3.288 8.575 -10.261 1.00 10.00 H new ATOM 0 HD3 PRO A 87 -4.205 7.238 -10.925 1.00 10.00 H new ATOM 968 N ASP A 88 0.018 7.198 -9.167 1.00 10.00 N ATOM 969 CA ASP A 88 1.304 7.560 -8.582 1.00 10.00 C ATOM 970 C ASP A 88 1.543 6.794 -7.287 1.00 10.00 C ATOM 971 O ASP A 88 2.677 6.468 -6.946 1.00 10.00 O ATOM 972 CB ASP A 88 1.372 9.064 -8.308 1.00 10.00 C ATOM 973 CG ASP A 88 1.294 9.902 -9.571 1.00 10.00 C ATOM 974 OD1 ASP A 88 2.216 10.713 -9.813 1.00 10.00 O ATOM 975 OD2 ASP A 88 0.306 9.762 -10.326 1.00 10.00 O ATOM 0 H ASP A 88 -0.626 7.981 -9.274 1.00 10.00 H new ATOM 0 HA ASP A 88 2.081 7.295 -9.299 1.00 10.00 H new ATOM 0 HB2 ASP A 88 0.555 9.344 -7.642 1.00 10.00 H new ATOM 0 HB3 ASP A 88 2.301 9.291 -7.785 1.00 10.00 H new ATOM 980 N LEU A 89 0.465 6.507 -6.568 1.00 10.00 N ATOM 981 CA LEU A 89 0.560 5.768 -5.318 1.00 10.00 C ATOM 982 C LEU A 89 0.888 4.305 -5.599 1.00 10.00 C ATOM 983 O LEU A 89 1.728 3.701 -4.926 1.00 10.00 O ATOM 984 CB LEU A 89 -0.744 5.879 -4.525 1.00 10.00 C ATOM 985 CG LEU A 89 -1.053 7.272 -3.961 1.00 10.00 C ATOM 986 CD1 LEU A 89 -2.417 7.287 -3.287 1.00 10.00 C ATOM 987 CD2 LEU A 89 0.020 7.710 -2.975 1.00 10.00 C ATOM 0 H LEU A 89 -0.484 6.775 -6.830 1.00 10.00 H new ATOM 0 HA LEU A 89 1.362 6.200 -4.719 1.00 10.00 H new ATOM 0 HB2 LEU A 89 -1.569 5.575 -5.170 1.00 10.00 H new ATOM 0 HB3 LEU A 89 -0.708 5.170 -3.698 1.00 10.00 H new ATOM 0 HG LEU A 89 -1.065 7.975 -4.794 1.00 10.00 H new ATOM 0 HD11 LEU A 89 -2.617 8.284 -2.894 1.00 10.00 H new ATOM 0 HD12 LEU A 89 -3.185 7.023 -4.014 1.00 10.00 H new ATOM 0 HD13 LEU A 89 -2.427 6.566 -2.470 1.00 10.00 H new ATOM 0 HD21 LEU A 89 -0.222 8.700 -2.590 1.00 10.00 H new ATOM 0 HD22 LEU A 89 0.066 7.001 -2.149 1.00 10.00 H new ATOM 0 HD23 LEU A 89 0.986 7.743 -3.479 1.00 10.00 H new ATOM 999 N ILE A 90 0.233 3.744 -6.611 1.00 10.00 N ATOM 1000 CA ILE A 90 0.464 2.356 -6.999 1.00 10.00 C ATOM 1001 C ILE A 90 1.892 2.194 -7.516 1.00 10.00 C ATOM 1002 O ILE A 90 2.595 1.243 -7.160 1.00 10.00 O ATOM 1003 CB ILE A 90 -0.527 1.892 -8.088 1.00 10.00 C ATOM 1004 CG1 ILE A 90 -1.961 2.276 -7.708 1.00 10.00 C ATOM 1005 CG2 ILE A 90 -0.418 0.387 -8.302 1.00 10.00 C ATOM 1006 CD1 ILE A 90 -2.956 2.079 -8.828 1.00 10.00 C ATOM 0 H ILE A 90 -0.462 4.229 -7.178 1.00 10.00 H new ATOM 0 HA ILE A 90 0.311 1.737 -6.115 1.00 10.00 H new ATOM 0 HB ILE A 90 -0.272 2.393 -9.022 1.00 10.00 H new ATOM 0 HG12 ILE A 90 -2.272 1.682 -6.848 1.00 10.00 H new ATOM 0 HG13 ILE A 90 -1.978 3.321 -7.397 1.00 10.00 H new ATOM 0 HG21 ILE A 90 -1.124 0.077 -9.073 1.00 10.00 H new ATOM 0 HG22 ILE A 90 0.595 0.137 -8.616 1.00 10.00 H new ATOM 0 HG23 ILE A 90 -0.648 -0.131 -7.371 1.00 10.00 H new ATOM 0 HD11 ILE A 90 -3.950 2.371 -8.488 1.00 10.00 H new ATOM 0 HD12 ILE A 90 -2.670 2.694 -9.681 1.00 10.00 H new ATOM 0 HD13 ILE A 90 -2.968 1.030 -9.124 1.00 10.00 H new ATOM 1018 N VAL A 91 2.317 3.140 -8.354 1.00 10.00 N ATOM 1019 CA VAL A 91 3.666 3.134 -8.906 1.00 10.00 C ATOM 1020 C VAL A 91 4.677 3.333 -7.782 1.00 10.00 C ATOM 1021 O VAL A 91 5.746 2.724 -7.773 1.00 10.00 O ATOM 1022 CB VAL A 91 3.844 4.236 -9.980 1.00 10.00 C ATOM 1023 CG1 VAL A 91 5.281 4.276 -10.485 1.00 10.00 C ATOM 1024 CG2 VAL A 91 2.878 4.012 -11.136 1.00 10.00 C ATOM 0 H VAL A 91 1.741 3.922 -8.665 1.00 10.00 H new ATOM 0 HA VAL A 91 3.834 2.171 -9.387 1.00 10.00 H new ATOM 0 HB VAL A 91 3.620 5.199 -9.521 1.00 10.00 H new ATOM 0 HG11 VAL A 91 5.380 5.058 -11.238 1.00 10.00 H new ATOM 0 HG12 VAL A 91 5.953 4.486 -9.653 1.00 10.00 H new ATOM 0 HG13 VAL A 91 5.539 3.313 -10.926 1.00 10.00 H new ATOM 0 HG21 VAL A 91 3.016 4.795 -11.882 1.00 10.00 H new ATOM 0 HG22 VAL A 91 3.072 3.040 -11.590 1.00 10.00 H new ATOM 0 HG23 VAL A 91 1.854 4.041 -10.765 1.00 10.00 H new ATOM 1034 N GLY A 92 4.324 4.179 -6.824 1.00 10.00 N ATOM 1035 CA GLY A 92 5.196 4.420 -5.694 1.00 10.00 C ATOM 1036 C GLY A 92 5.384 3.172 -4.859 1.00 10.00 C ATOM 1037 O GLY A 92 6.483 2.897 -4.384 1.00 10.00 O ATOM 0 H GLY A 92 3.449 4.703 -6.810 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.165 4.770 -6.050 1.00 10.00 H new ATOM 0 HA3 GLY A 92 4.779 5.214 -5.074 1.00 10.00 H new ATOM 1041 N PHE A 93 4.315 2.397 -4.704 1.00 10.00 N ATOM 1042 CA PHE A 93 4.370 1.166 -3.929 1.00 10.00 C ATOM 1043 C PHE A 93 5.219 0.118 -4.646 1.00 10.00 C ATOM 1044 O PHE A 93 5.839 -0.735 -4.013 1.00 10.00 O ATOM 1045 CB PHE A 93 2.961 0.631 -3.673 1.00 10.00 C ATOM 1046 CG PHE A 93 2.942 -0.601 -2.812 1.00 10.00 C ATOM 1047 CD1 PHE A 93 3.382 -0.551 -1.500 1.00 10.00 C ATOM 1048 CD2 PHE A 93 2.496 -1.813 -3.318 1.00 10.00 C ATOM 1049 CE1 PHE A 93 3.380 -1.683 -0.711 1.00 10.00 C ATOM 1050 CE2 PHE A 93 2.490 -2.946 -2.529 1.00 10.00 C ATOM 1051 CZ PHE A 93 2.935 -2.880 -1.226 1.00 10.00 C ATOM 0 H PHE A 93 3.400 2.601 -5.106 1.00 10.00 H new ATOM 0 HA PHE A 93 4.835 1.385 -2.968 1.00 10.00 H new ATOM 0 HB2 PHE A 93 2.365 1.409 -3.196 1.00 10.00 H new ATOM 0 HB3 PHE A 93 2.486 0.406 -4.628 1.00 10.00 H new ATOM 0 HD1 PHE A 93 3.731 0.385 -1.089 1.00 10.00 H new ATOM 0 HD2 PHE A 93 2.150 -1.871 -4.339 1.00 10.00 H new ATOM 0 HE1 PHE A 93 3.727 -1.630 0.310 1.00 10.00 H new ATOM 0 HE2 PHE A 93 2.137 -3.883 -2.932 1.00 10.00 H new ATOM 0 HZ PHE A 93 2.935 -3.767 -0.609 1.00 10.00 H new ATOM 1061 N ASN A 94 5.265 0.206 -5.969 1.00 10.00 N ATOM 1062 CA ASN A 94 6.046 -0.722 -6.776 1.00 10.00 C ATOM 1063 C ASN A 94 7.523 -0.601 -6.423 1.00 10.00 C ATOM 1064 O ASN A 94 8.286 -1.557 -6.543 1.00 10.00 O ATOM 1065 CB ASN A 94 5.830 -0.442 -8.267 1.00 10.00 C ATOM 1066 CG ASN A 94 4.790 -1.350 -8.893 1.00 10.00 C ATOM 1067 OD1 ASN A 94 5.119 -2.372 -9.498 1.00 10.00 O ATOM 1068 ND2 ASN A 94 3.526 -0.982 -8.759 1.00 10.00 N ATOM 0 H ASN A 94 4.768 0.915 -6.508 1.00 10.00 H new ATOM 0 HA ASN A 94 5.715 -1.739 -6.564 1.00 10.00 H new ATOM 0 HB2 ASN A 94 5.524 0.596 -8.396 1.00 10.00 H new ATOM 0 HB3 ASN A 94 6.776 -0.563 -8.795 1.00 10.00 H new ATOM 0 HD21 ASN A 94 2.783 -1.552 -9.164 1.00 10.00 H new ATOM 0 HD22 ASN A 94 3.294 -0.129 -8.251 1.00 10.00 H new ATOM 1075 N ALA A 95 7.918 0.585 -5.976 1.00 10.00 N ATOM 1076 CA ALA A 95 9.294 0.837 -5.586 1.00 10.00 C ATOM 1077 C ALA A 95 9.411 0.938 -4.069 1.00 10.00 C ATOM 1078 O ALA A 95 10.457 1.306 -3.534 1.00 10.00 O ATOM 1079 CB ALA A 95 9.811 2.104 -6.248 1.00 10.00 C ATOM 0 H ALA A 95 7.299 1.389 -5.875 1.00 10.00 H new ATOM 0 HA ALA A 95 9.906 -0.000 -5.921 1.00 10.00 H new ATOM 0 HB1 ALA A 95 10.843 2.278 -5.945 1.00 10.00 H new ATOM 0 HB2 ALA A 95 9.765 1.993 -7.331 1.00 10.00 H new ATOM 0 HB3 ALA A 95 9.196 2.951 -5.943 1.00 10.00 H new ATOM 1085 N PHE A 96 8.324 0.605 -3.381 1.00 10.00 N ATOM 1086 CA PHE A 96 8.286 0.653 -1.922 1.00 10.00 C ATOM 1087 C PHE A 96 8.043 -0.742 -1.359 1.00 10.00 C ATOM 1088 O PHE A 96 7.395 -0.909 -0.327 1.00 10.00 O ATOM 1089 CB PHE A 96 7.190 1.617 -1.443 1.00 10.00 C ATOM 1090 CG PHE A 96 7.616 2.513 -0.316 1.00 10.00 C ATOM 1091 CD1 PHE A 96 7.917 3.844 -0.552 1.00 10.00 C ATOM 1092 CD2 PHE A 96 7.712 2.028 0.977 1.00 10.00 C ATOM 1093 CE1 PHE A 96 8.304 4.676 0.480 1.00 10.00 C ATOM 1094 CE2 PHE A 96 8.099 2.855 2.013 1.00 10.00 C ATOM 1095 CZ PHE A 96 8.395 4.181 1.766 1.00 10.00 C ATOM 0 H PHE A 96 7.453 0.297 -3.812 1.00 10.00 H new ATOM 0 HA PHE A 96 9.248 1.017 -1.561 1.00 10.00 H new ATOM 0 HB2 PHE A 96 6.870 2.234 -2.283 1.00 10.00 H new ATOM 0 HB3 PHE A 96 6.324 1.037 -1.125 1.00 10.00 H new ATOM 0 HD1 PHE A 96 7.848 4.236 -1.556 1.00 10.00 H new ATOM 0 HD2 PHE A 96 7.482 0.992 1.178 1.00 10.00 H new ATOM 0 HE1 PHE A 96 8.535 5.712 0.282 1.00 10.00 H new ATOM 0 HE2 PHE A 96 8.170 2.464 3.017 1.00 10.00 H new ATOM 0 HZ PHE A 96 8.697 4.829 2.576 1.00 10.00 H new ATOM 1105 N LEU A 97 8.566 -1.739 -2.049 1.00 10.00 N ATOM 1106 CA LEU A 97 8.414 -3.114 -1.619 1.00 10.00 C ATOM 1107 C LEU A 97 9.729 -3.633 -1.051 1.00 10.00 C ATOM 1108 O LEU A 97 10.723 -3.750 -1.775 1.00 10.00 O ATOM 1109 CB LEU A 97 7.967 -3.996 -2.785 1.00 10.00 C ATOM 1110 CG LEU A 97 6.457 -4.163 -2.926 1.00 10.00 C ATOM 1111 CD1 LEU A 97 6.109 -4.735 -4.290 1.00 10.00 C ATOM 1112 CD2 LEU A 97 5.915 -5.053 -1.816 1.00 10.00 C ATOM 0 H LEU A 97 9.100 -1.621 -2.910 1.00 10.00 H new ATOM 0 HA LEU A 97 7.650 -3.150 -0.842 1.00 10.00 H new ATOM 0 HB2 LEU A 97 8.359 -3.574 -3.711 1.00 10.00 H new ATOM 0 HB3 LEU A 97 8.417 -4.982 -2.668 1.00 10.00 H new ATOM 0 HG LEU A 97 5.991 -3.182 -2.838 1.00 10.00 H new ATOM 0 HD11 LEU A 97 5.028 -4.847 -4.372 1.00 10.00 H new ATOM 0 HD12 LEU A 97 6.464 -4.060 -5.069 1.00 10.00 H new ATOM 0 HD13 LEU A 97 6.585 -5.708 -4.408 1.00 10.00 H new ATOM 0 HD21 LEU A 97 4.837 -5.162 -1.931 1.00 10.00 H new ATOM 0 HD22 LEU A 97 6.387 -6.034 -1.873 1.00 10.00 H new ATOM 0 HD23 LEU A 97 6.133 -4.601 -0.848 1.00 10.00 H new ATOM 1124 N PRO A 98 9.752 -3.942 0.254 1.00 10.00 N ATOM 1125 CA PRO A 98 10.953 -4.455 0.925 1.00 10.00 C ATOM 1126 C PRO A 98 11.280 -5.886 0.502 1.00 10.00 C ATOM 1127 O PRO A 98 12.365 -6.401 0.780 1.00 10.00 O ATOM 1128 CB PRO A 98 10.576 -4.402 2.407 1.00 10.00 C ATOM 1129 CG PRO A 98 9.091 -4.480 2.436 1.00 10.00 C ATOM 1130 CD PRO A 98 8.616 -3.793 1.187 1.00 10.00 C ATOM 0 HA PRO A 98 11.843 -3.876 0.679 1.00 10.00 H new ATOM 0 HB2 PRO A 98 11.024 -5.229 2.957 1.00 10.00 H new ATOM 0 HB3 PRO A 98 10.931 -3.482 2.871 1.00 10.00 H new ATOM 0 HG2 PRO A 98 8.755 -5.517 2.463 1.00 10.00 H new ATOM 0 HG3 PRO A 98 8.692 -3.992 3.325 1.00 10.00 H new ATOM 0 HD2 PRO A 98 7.711 -4.257 0.794 1.00 10.00 H new ATOM 0 HD3 PRO A 98 8.383 -2.744 1.370 1.00 10.00 H new ATOM 1138 N SER A 99 10.336 -6.522 -0.175 1.00 10.00 N ATOM 1139 CA SER A 99 10.514 -7.884 -0.639 1.00 10.00 C ATOM 1140 C SER A 99 10.650 -7.919 -2.155 1.00 10.00 C ATOM 1141 O SER A 99 9.667 -7.753 -2.881 1.00 10.00 O ATOM 1142 CB SER A 99 9.329 -8.733 -0.188 1.00 10.00 C ATOM 1143 OG SER A 99 9.087 -8.552 1.197 1.00 10.00 O ATOM 0 H SER A 99 9.434 -6.111 -0.415 1.00 10.00 H new ATOM 0 HA SER A 99 11.429 -8.291 -0.209 1.00 10.00 H new ATOM 0 HB2 SER A 99 8.441 -8.459 -0.757 1.00 10.00 H new ATOM 0 HB3 SER A 99 9.528 -9.785 -0.394 1.00 10.00 H new ATOM 0 HG SER A 99 8.323 -9.102 1.470 1.00 10.00 H new ATOM 1149 N GLY A 100 11.869 -8.114 -2.629 1.00 10.00 N ATOM 1150 CA GLY A 100 12.109 -8.166 -4.056 1.00 10.00 C ATOM 1151 C GLY A 100 13.343 -8.973 -4.401 1.00 10.00 C ATOM 1152 O GLY A 100 13.696 -9.897 -3.668 1.00 10.00 O ATOM 0 H GLY A 100 12.700 -8.238 -2.050 1.00 10.00 H new ATOM 0 HA2 GLY A 100 11.242 -8.602 -4.553 1.00 10.00 H new ATOM 0 HA3 GLY A 100 12.221 -7.152 -4.441 1.00 10.00 H new ATOM 1156 N PRO A 101 14.038 -8.625 -5.497 1.00 10.00 N ATOM 1157 CA PRO A 101 15.240 -9.336 -5.948 1.00 10.00 C ATOM 1158 C PRO A 101 16.497 -8.940 -5.180 1.00 10.00 C ATOM 1159 O PRO A 101 17.584 -8.817 -5.750 1.00 10.00 O ATOM 1160 CB PRO A 101 15.348 -8.918 -7.413 1.00 10.00 C ATOM 1161 CG PRO A 101 14.742 -7.563 -7.476 1.00 10.00 C ATOM 1162 CD PRO A 101 13.693 -7.507 -6.398 1.00 10.00 C ATOM 0 HA PRO A 101 15.160 -10.412 -5.791 1.00 10.00 H new ATOM 0 HB2 PRO A 101 16.387 -8.901 -7.742 1.00 10.00 H new ATOM 0 HB3 PRO A 101 14.820 -9.616 -8.062 1.00 10.00 H new ATOM 0 HG2 PRO A 101 15.498 -6.793 -7.320 1.00 10.00 H new ATOM 0 HG3 PRO A 101 14.300 -7.382 -8.456 1.00 10.00 H new ATOM 0 HD2 PRO A 101 13.712 -6.552 -5.873 1.00 10.00 H new ATOM 0 HD3 PRO A 101 12.691 -7.623 -6.811 1.00 10.00 H new ATOM 1170 N SER A 102 16.350 -8.749 -3.885 1.00 10.00 N ATOM 1171 CA SER A 102 17.470 -8.379 -3.038 1.00 10.00 C ATOM 1172 C SER A 102 18.059 -9.620 -2.369 1.00 10.00 C ATOM 1173 O SER A 102 17.520 -10.719 -2.507 1.00 10.00 O ATOM 1174 CB SER A 102 17.025 -7.370 -1.981 1.00 10.00 C ATOM 1175 OG SER A 102 16.704 -6.121 -2.576 1.00 10.00 O ATOM 0 H SER A 102 15.462 -8.844 -3.392 1.00 10.00 H new ATOM 0 HA SER A 102 18.238 -7.918 -3.658 1.00 10.00 H new ATOM 0 HB2 SER A 102 16.157 -7.756 -1.446 1.00 10.00 H new ATOM 0 HB3 SER A 102 17.818 -7.234 -1.246 1.00 10.00 H new ATOM 0 HG SER A 102 16.420 -5.491 -1.881 1.00 10.00 H new ATOM 1181 N SER A 103 19.163 -9.451 -1.659 1.00 10.00 N ATOM 1182 CA SER A 103 19.799 -10.562 -0.975 1.00 10.00 C ATOM 1183 C SER A 103 18.961 -10.992 0.228 1.00 10.00 C ATOM 1184 O SER A 103 19.043 -10.395 1.304 1.00 10.00 O ATOM 1185 CB SER A 103 21.211 -10.164 -0.546 1.00 10.00 C ATOM 1186 OG SER A 103 21.841 -9.412 -1.572 1.00 10.00 O ATOM 0 H SER A 103 19.636 -8.555 -1.542 1.00 10.00 H new ATOM 0 HA SER A 103 19.871 -11.411 -1.655 1.00 10.00 H new ATOM 0 HB2 SER A 103 21.168 -9.577 0.371 1.00 10.00 H new ATOM 0 HB3 SER A 103 21.797 -11.056 -0.327 1.00 10.00 H new ATOM 0 HG SER A 103 22.744 -9.161 -1.286 1.00 10.00 H new ATOM 1192 N GLY A 104 18.126 -11.999 0.026 1.00 10.00 N ATOM 1193 CA GLY A 104 17.278 -12.487 1.091 1.00 10.00 C ATOM 1194 C GLY A 104 15.887 -12.827 0.596 1.00 10.00 C ATOM 1195 O GLY A 104 15.625 -12.773 -0.612 1.00 10.00 O ATOM 0 H GLY A 104 18.021 -12.489 -0.862 1.00 10.00 H new ATOM 0 HA2 GLY A 104 17.730 -13.372 1.538 1.00 10.00 H new ATOM 0 HA3 GLY A 104 17.210 -11.733 1.875 1.00 10.00 H new TER 1199 GLY A 104 HETATM 1200 N1 8TL A 201 0.917 -2.311 1.811 1.00 10.00 N HETATM 1201 N3 8TL A 201 1.524 -5.406 1.116 1.00 10.00 N HETATM 1202 C4 8TL A 201 3.423 -0.282 3.553 1.00 10.00 C HETATM 1203 C5 8TL A 201 4.486 -0.514 2.479 1.00 10.00 C HETATM 1204 C6 8TL A 201 0.239 -2.219 0.669 1.00 10.00 C HETATM 1205 C7 8TL A 201 -0.477 -1.198 -1.256 1.00 10.00 C HETATM 1206 C8 8TL A 201 -0.228 0.003 -2.168 1.00 10.00 C HETATM 1207 C10 8TL A 201 2.630 -5.181 3.335 1.00 10.00 C HETATM 1208 C13 8TL A 201 1.457 -5.822 -0.304 1.00 10.00 C HETATM 1209 C15 8TL A 201 2.223 -7.566 -1.959 1.00 10.00 C HETATM 1210 C17 8TL A 201 2.975 -8.886 -2.132 1.00 10.00 C HETATM 1211 C20 8TL A 201 3.371 -6.844 6.648 1.00 10.00 C HETATM 1212 C9 8TL A 201 -1.945 -1.197 -0.829 1.00 10.00 C HETATM 1213 O4 8TL A 201 0.349 -1.093 -0.088 1.00 10.00 O HETATM 1214 O3 8TL A 201 -0.492 -3.135 0.299 1.00 10.00 O HETATM 1215 O1 8TL A 201 1.667 -1.215 2.189 1.00 10.00 O HETATM 1216 C1 8TL A 201 2.314 -1.329 3.458 1.00 10.00 C HETATM 1217 C2 8TL A 201 2.916 -2.724 3.604 1.00 10.00 C HETATM 1218 O2 8TL A 201 4.047 -2.891 4.054 1.00 10.00 O HETATM 1219 N2 8TL A 201 2.115 -3.808 3.239 1.00 10.00 N HETATM 1220 C3 8TL A 201 0.804 -3.527 2.633 1.00 10.00 C HETATM 1221 C11 8TL A 201 0.385 -4.718 1.762 1.00 10.00 C HETATM 1222 C14 8TL A 201 2.262 -7.108 -0.500 1.00 10.00 C HETATM 1223 C16 8TL A 201 2.811 -6.491 -2.874 1.00 10.00 C HETATM 1224 C12 8TL A 201 2.663 -5.667 1.885 1.00 10.00 C HETATM 1225 O5 8TL A 201 3.640 -6.255 1.425 1.00 10.00 O HETATM 1226 C18 8TL A 201 1.647 -6.050 4.121 1.00 10.00 C HETATM 1227 C19 8TL A 201 2.162 -7.484 4.244 1.00 10.00 C HETATM 1228 S1 8TL A 201 3.782 -7.591 5.086 1.00 10.00 S