USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 524 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 13 THR OG1 : rot -35:sc= 0.0404 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.733 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.349 F(o=-1.1,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 69:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 8:sc= 0.656 USER MOD Single : A 34 GLN : amide:sc=-0.00725 X(o=-0.0073,f=-0.1) USER MOD Single : A 35 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -1 (180deg=-1.34) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 0.673 (180deg=0.419) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0012 (180deg=-0.343) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -90:sc= 0.00583 USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 86:sc= 0.565 USER MOD Single : A 68 THR OG1 : rot 87:sc= 0.0915 USER MOD Single : A 70 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.031) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 13 76.038 -1.763 -1.616 1.00 0.00 N ATOM 2 CA THR A 13 76.780 -3.010 -1.938 1.00 0.00 C ATOM 3 C THR A 13 76.501 -4.099 -0.909 1.00 0.00 C ATOM 4 O THR A 13 76.122 -3.812 0.227 1.00 0.00 O ATOM 5 CB THR A 13 78.276 -2.695 -1.978 1.00 0.00 C ATOM 6 OG1 THR A 13 78.719 -2.210 -0.723 1.00 0.00 O ATOM 7 CG2 THR A 13 78.645 -1.667 -3.025 1.00 0.00 C ATOM 0 HA THR A 13 76.448 -3.380 -2.908 1.00 0.00 H new ATOM 0 HB THR A 13 78.763 -3.637 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 13 78.012 -1.670 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 13 79.720 -1.491 -2.999 1.00 0.00 H new ATOM 0 HG22 THR A 13 78.361 -2.034 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 13 78.119 -0.734 -2.820 1.00 0.00 H new ATOM 15 N PHE A 14 76.699 -5.349 -1.314 1.00 0.00 N ATOM 16 CA PHE A 14 76.474 -6.491 -0.433 1.00 0.00 C ATOM 17 C PHE A 14 77.753 -7.306 -0.265 1.00 0.00 C ATOM 18 O PHE A 14 78.256 -7.472 0.845 1.00 0.00 O ATOM 19 CB PHE A 14 75.360 -7.380 -0.993 1.00 0.00 C ATOM 20 CG PHE A 14 74.417 -7.879 0.061 1.00 0.00 C ATOM 21 CD1 PHE A 14 74.708 -9.023 0.785 1.00 0.00 C ATOM 22 CD2 PHE A 14 73.243 -7.196 0.336 1.00 0.00 C ATOM 23 CE1 PHE A 14 73.847 -9.478 1.765 1.00 0.00 C ATOM 24 CE2 PHE A 14 72.376 -7.648 1.314 1.00 0.00 C ATOM 25 CZ PHE A 14 72.679 -8.789 2.030 1.00 0.00 C ATOM 0 H PHE A 14 77.016 -5.598 -2.251 1.00 0.00 H new ATOM 0 HA PHE A 14 76.173 -6.113 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.797 -6.819 -1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.807 -8.232 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 14 75.619 -9.566 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.003 -6.301 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 14 74.087 -10.371 2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.463 -7.109 1.518 1.00 0.00 H new ATOM 0 HZ PHE A 14 72.004 -9.142 2.796 1.00 0.00 H new ATOM 35 N LEU A 15 78.276 -7.811 -1.378 1.00 0.00 N ATOM 36 CA LEU A 15 79.497 -8.611 -1.360 1.00 0.00 C ATOM 37 C LEU A 15 80.701 -7.767 -0.951 1.00 0.00 C ATOM 38 O LEU A 15 81.657 -8.274 -0.366 1.00 0.00 O ATOM 39 CB LEU A 15 79.739 -9.232 -2.737 1.00 0.00 C ATOM 40 CG LEU A 15 78.521 -9.921 -3.358 1.00 0.00 C ATOM 41 CD1 LEU A 15 78.402 -9.572 -4.835 1.00 0.00 C ATOM 42 CD2 LEU A 15 78.603 -11.430 -3.169 1.00 0.00 C ATOM 0 H LEU A 15 77.873 -7.680 -2.306 1.00 0.00 H new ATOM 0 HA LEU A 15 79.371 -9.405 -0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 15 80.082 -8.451 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 15 80.546 -9.959 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 15 77.628 -9.560 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 77.530 -10.071 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 15 78.292 -8.493 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 15 79.299 -9.901 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 15 77.728 -11.901 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 15 79.505 -11.808 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 15 78.635 -11.662 -2.104 1.00 0.00 H new ATOM 54 N THR A 16 80.646 -6.476 -1.267 1.00 0.00 N ATOM 55 CA THR A 16 81.733 -5.560 -0.938 1.00 0.00 C ATOM 56 C THR A 16 81.971 -5.488 0.571 1.00 0.00 C ATOM 57 O THR A 16 83.033 -5.054 1.016 1.00 0.00 O ATOM 58 CB THR A 16 81.429 -4.164 -1.482 1.00 0.00 C ATOM 59 OG1 THR A 16 80.887 -4.242 -2.789 1.00 0.00 O ATOM 60 CG2 THR A 16 82.648 -3.268 -1.544 1.00 0.00 C ATOM 0 H THR A 16 79.860 -6.041 -1.750 1.00 0.00 H new ATOM 0 HA THR A 16 82.641 -5.943 -1.405 1.00 0.00 H new ATOM 0 HB THR A 16 80.714 -3.731 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 16 80.846 -3.344 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 16 82.363 -2.293 -1.939 1.00 0.00 H new ATOM 0 HG22 THR A 16 83.062 -3.147 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 16 83.398 -3.718 -2.195 1.00 0.00 H new ATOM 68 N GLN A 17 80.980 -5.909 1.352 1.00 0.00 N ATOM 69 CA GLN A 17 81.096 -5.883 2.807 1.00 0.00 C ATOM 70 C GLN A 17 82.298 -6.698 3.272 1.00 0.00 C ATOM 71 O GLN A 17 83.199 -6.174 3.926 1.00 0.00 O ATOM 72 CB GLN A 17 79.818 -6.418 3.455 1.00 0.00 C ATOM 73 CG GLN A 17 78.838 -5.327 3.854 1.00 0.00 C ATOM 74 CD GLN A 17 79.371 -4.441 4.963 1.00 0.00 C ATOM 75 OE1 GLN A 17 80.080 -3.383 4.586 1.00 0.00 O flip ATOM 76 NE2 GLN A 17 79.147 -4.704 6.145 1.00 0.00 N flip ATOM 0 H GLN A 17 80.092 -6.271 1.004 1.00 0.00 H new ATOM 0 HA GLN A 17 81.242 -4.848 3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 17 79.327 -7.101 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 17 80.084 -6.998 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 17 78.608 -4.714 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 17 77.903 -5.784 4.177 1.00 0.00 H new ATOM 0 HE21 GLN A 17 78.597 -5.528 6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 17 79.511 -4.098 6.880 1.00 0.00 H new ATOM 85 N VAL A 18 82.310 -7.981 2.924 1.00 0.00 N ATOM 86 CA VAL A 18 83.406 -8.866 3.302 1.00 0.00 C ATOM 87 C VAL A 18 84.741 -8.304 2.831 1.00 0.00 C ATOM 88 O VAL A 18 85.761 -8.440 3.505 1.00 0.00 O ATOM 89 CB VAL A 18 83.218 -10.273 2.706 1.00 0.00 C ATOM 90 CG1 VAL A 18 84.284 -11.224 3.231 1.00 0.00 C ATOM 91 CG2 VAL A 18 81.824 -10.803 3.009 1.00 0.00 C ATOM 0 H VAL A 18 81.573 -8.431 2.381 1.00 0.00 H new ATOM 0 HA VAL A 18 83.403 -8.936 4.390 1.00 0.00 H new ATOM 0 HB VAL A 18 83.327 -10.204 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 84.134 -12.213 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.271 -10.853 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.212 -11.288 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.712 -11.798 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.681 -10.856 4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 18 81.079 -10.135 2.577 1.00 0.00 H new ATOM 101 N LYS A 19 84.717 -7.662 1.670 1.00 0.00 N ATOM 102 CA LYS A 19 85.914 -7.064 1.095 1.00 0.00 C ATOM 103 C LYS A 19 86.407 -5.923 1.967 1.00 0.00 C ATOM 104 O LYS A 19 87.523 -5.957 2.486 1.00 0.00 O ATOM 105 CB LYS A 19 85.611 -6.535 -0.301 1.00 0.00 C ATOM 106 CG LYS A 19 85.140 -7.608 -1.272 1.00 0.00 C ATOM 107 CD LYS A 19 86.016 -7.662 -2.515 1.00 0.00 C ATOM 108 CE LYS A 19 85.796 -6.450 -3.406 1.00 0.00 C ATOM 109 NZ LYS A 19 85.689 -6.829 -4.843 1.00 0.00 N ATOM 0 H LYS A 19 83.876 -7.542 1.106 1.00 0.00 H new ATOM 0 HA LYS A 19 86.688 -7.829 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 19 84.846 -5.762 -0.229 1.00 0.00 H new ATOM 0 HB3 LYS A 19 86.507 -6.061 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 19 85.151 -8.579 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 19 84.108 -7.410 -1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 19 87.064 -7.713 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 19 85.798 -8.571 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 19 84.887 -5.933 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 19 86.621 -5.749 -3.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 85.539 -5.975 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 86.566 -7.299 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 84.886 -7.478 -4.972 1.00 0.00 H new ATOM 123 N GLU A 20 85.558 -4.916 2.128 1.00 0.00 N ATOM 124 CA GLU A 20 85.892 -3.758 2.948 1.00 0.00 C ATOM 125 C GLU A 20 86.260 -4.197 4.360 1.00 0.00 C ATOM 126 O GLU A 20 86.933 -3.471 5.092 1.00 0.00 O ATOM 127 CB GLU A 20 84.717 -2.779 2.994 1.00 0.00 C ATOM 128 CG GLU A 20 84.322 -2.236 1.630 1.00 0.00 C ATOM 129 CD GLU A 20 83.727 -0.843 1.708 1.00 0.00 C ATOM 130 OE1 GLU A 20 82.661 -0.688 2.339 1.00 0.00 O ATOM 131 OE2 GLU A 20 84.328 0.091 1.136 1.00 0.00 O ATOM 0 H GLU A 20 84.632 -4.878 1.701 1.00 0.00 H new ATOM 0 HA GLU A 20 86.750 -3.256 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 20 83.857 -3.278 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 20 84.975 -1.945 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.199 -2.217 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 20 83.600 -2.910 1.169 1.00 0.00 H new ATOM 138 N SER A 21 85.813 -5.393 4.735 1.00 0.00 N ATOM 139 CA SER A 21 86.093 -5.935 6.052 1.00 0.00 C ATOM 140 C SER A 21 87.530 -6.434 6.138 1.00 0.00 C ATOM 141 O SER A 21 88.307 -5.981 6.978 1.00 0.00 O ATOM 142 CB SER A 21 85.120 -7.072 6.341 1.00 0.00 C ATOM 143 OG SER A 21 84.500 -6.912 7.605 1.00 0.00 O ATOM 0 H SER A 21 85.254 -6.003 4.139 1.00 0.00 H new ATOM 0 HA SER A 21 85.967 -5.148 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.358 -7.108 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.651 -8.024 6.312 1.00 0.00 H new ATOM 0 HG SER A 21 83.880 -7.655 7.762 1.00 0.00 H new ATOM 149 N LEU A 22 87.878 -7.367 5.258 1.00 0.00 N ATOM 150 CA LEU A 22 89.225 -7.922 5.229 1.00 0.00 C ATOM 151 C LEU A 22 90.235 -6.849 4.839 1.00 0.00 C ATOM 152 O LEU A 22 91.387 -6.878 5.270 1.00 0.00 O ATOM 153 CB LEU A 22 89.296 -9.096 4.248 1.00 0.00 C ATOM 154 CG LEU A 22 89.735 -10.427 4.864 1.00 0.00 C ATOM 155 CD1 LEU A 22 88.532 -11.319 5.127 1.00 0.00 C ATOM 156 CD2 LEU A 22 90.734 -11.133 3.956 1.00 0.00 C ATOM 0 H LEU A 22 87.246 -7.754 4.557 1.00 0.00 H new ATOM 0 HA LEU A 22 89.470 -8.284 6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 22 88.315 -9.230 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 22 89.987 -8.838 3.446 1.00 0.00 H new ATOM 0 HG LEU A 22 90.222 -10.219 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 88.865 -12.260 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 22 87.852 -10.819 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 22 88.015 -11.519 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 22 91.035 -12.077 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 22 90.272 -11.327 2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 22 91.611 -10.501 3.819 1.00 0.00 H new ATOM 168 N SER A 23 89.791 -5.899 4.020 1.00 0.00 N ATOM 169 CA SER A 23 90.653 -4.813 3.574 1.00 0.00 C ATOM 170 C SER A 23 90.865 -3.797 4.686 1.00 0.00 C ATOM 171 O SER A 23 91.949 -3.230 4.824 1.00 0.00 O ATOM 172 CB SER A 23 90.055 -4.128 2.344 1.00 0.00 C ATOM 173 OG SER A 23 91.072 -3.680 1.464 1.00 0.00 O ATOM 0 H SER A 23 88.840 -5.861 3.653 1.00 0.00 H new ATOM 0 HA SER A 23 91.621 -5.238 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 23 89.397 -4.822 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 23 89.442 -3.283 2.657 1.00 0.00 H new ATOM 0 HG SER A 23 90.664 -3.247 0.685 1.00 0.00 H new ATOM 178 N SER A 24 89.827 -3.575 5.482 1.00 0.00 N ATOM 179 CA SER A 24 89.905 -2.630 6.587 1.00 0.00 C ATOM 180 C SER A 24 90.957 -3.072 7.595 1.00 0.00 C ATOM 181 O SER A 24 91.654 -2.246 8.182 1.00 0.00 O ATOM 182 CB SER A 24 88.554 -2.499 7.280 1.00 0.00 C ATOM 183 OG SER A 24 87.694 -1.629 6.567 1.00 0.00 O ATOM 0 H SER A 24 88.923 -4.036 5.383 1.00 0.00 H new ATOM 0 HA SER A 24 90.188 -1.659 6.180 1.00 0.00 H new ATOM 0 HB2 SER A 24 88.090 -3.482 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 24 88.697 -2.123 8.293 1.00 0.00 H new ATOM 0 HG SER A 24 87.441 -2.044 5.716 1.00 0.00 H new ATOM 189 N TYR A 25 91.073 -4.384 7.781 1.00 0.00 N ATOM 190 CA TYR A 25 92.044 -4.942 8.701 1.00 0.00 C ATOM 191 C TYR A 25 93.437 -4.423 8.366 1.00 0.00 C ATOM 192 O TYR A 25 94.232 -4.113 9.253 1.00 0.00 O ATOM 193 CB TYR A 25 91.995 -6.459 8.595 1.00 0.00 C ATOM 194 CG TYR A 25 91.995 -7.169 9.930 1.00 0.00 C ATOM 195 CD1 TYR A 25 93.129 -7.182 10.733 1.00 0.00 C ATOM 196 CD2 TYR A 25 90.860 -7.825 10.388 1.00 0.00 C ATOM 197 CE1 TYR A 25 93.131 -7.830 11.953 1.00 0.00 C ATOM 198 CE2 TYR A 25 90.854 -8.475 11.607 1.00 0.00 C ATOM 199 CZ TYR A 25 91.992 -8.474 12.386 1.00 0.00 C ATOM 200 OH TYR A 25 91.990 -9.121 13.601 1.00 0.00 O ATOM 0 H TYR A 25 90.501 -5.079 7.301 1.00 0.00 H new ATOM 0 HA TYR A 25 91.810 -4.642 9.722 1.00 0.00 H new ATOM 0 HB2 TYR A 25 91.100 -6.746 8.043 1.00 0.00 H new ATOM 0 HB3 TYR A 25 92.851 -6.800 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 25 94.023 -6.677 10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 25 89.967 -7.827 9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 25 94.021 -7.832 12.565 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.963 -8.981 11.948 1.00 0.00 H new ATOM 0 HH TYR A 25 91.110 -9.522 13.757 1.00 0.00 H new ATOM 210 N TRP A 26 93.707 -4.317 7.071 1.00 0.00 N ATOM 211 CA TRP A 26 94.988 -3.821 6.581 1.00 0.00 C ATOM 212 C TRP A 26 94.899 -2.336 6.238 1.00 0.00 C ATOM 213 O TRP A 26 95.919 -1.662 6.096 1.00 0.00 O ATOM 214 CB TRP A 26 95.417 -4.615 5.344 1.00 0.00 C ATOM 215 CG TRP A 26 96.006 -5.951 5.672 1.00 0.00 C ATOM 216 CD1 TRP A 26 95.531 -6.856 6.578 1.00 0.00 C ATOM 217 CD2 TRP A 26 97.186 -6.532 5.105 1.00 0.00 C ATOM 218 NE1 TRP A 26 96.345 -7.961 6.611 1.00 0.00 N ATOM 219 CE2 TRP A 26 97.366 -7.788 5.714 1.00 0.00 C ATOM 220 CE3 TRP A 26 98.107 -6.112 4.141 1.00 0.00 C ATOM 221 CZ2 TRP A 26 98.430 -8.626 5.391 1.00 0.00 C ATOM 222 CZ3 TRP A 26 99.161 -6.946 3.820 1.00 0.00 C ATOM 223 CH2 TRP A 26 99.316 -8.191 4.443 1.00 0.00 C ATOM 0 H TRP A 26 93.049 -4.571 6.334 1.00 0.00 H new ATOM 0 HA TRP A 26 95.730 -3.950 7.369 1.00 0.00 H new ATOM 0 HB2 TRP A 26 94.553 -4.756 4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 26 96.147 -4.032 4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 26 94.645 -6.722 7.180 1.00 0.00 H new ATOM 0 HE1 TRP A 26 96.211 -8.778 7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 26 97.997 -5.153 3.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 98.552 -9.585 5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.878 -6.632 3.076 1.00 0.00 H new ATOM 0 HH2 TRP A 26 100.151 -8.820 4.170 1.00 0.00 H new ATOM 234 N GLU A 27 93.672 -1.829 6.106 1.00 0.00 N ATOM 235 CA GLU A 27 93.461 -0.423 5.775 1.00 0.00 C ATOM 236 C GLU A 27 93.894 0.489 6.918 1.00 0.00 C ATOM 237 O GLU A 27 94.276 1.637 6.695 1.00 0.00 O ATOM 238 CB GLU A 27 91.989 -0.172 5.441 1.00 0.00 C ATOM 239 CG GLU A 27 91.758 1.083 4.615 1.00 0.00 C ATOM 240 CD GLU A 27 91.020 2.164 5.382 1.00 0.00 C ATOM 241 OE1 GLU A 27 90.327 1.829 6.366 1.00 0.00 O ATOM 242 OE2 GLU A 27 91.134 3.347 4.997 1.00 0.00 O ATOM 0 H GLU A 27 92.815 -2.369 6.223 1.00 0.00 H new ATOM 0 HA GLU A 27 94.074 -0.192 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 27 91.597 -1.032 4.898 1.00 0.00 H new ATOM 0 HB3 GLU A 27 91.422 -0.096 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 27 92.719 1.474 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 27 91.189 0.825 3.722 1.00 0.00 H new ATOM 249 N SER A 28 93.833 -0.026 8.142 1.00 0.00 N ATOM 250 CA SER A 28 94.220 0.749 9.311 1.00 0.00 C ATOM 251 C SER A 28 95.708 1.059 9.279 1.00 0.00 C ATOM 252 O SER A 28 96.121 2.194 9.509 1.00 0.00 O ATOM 253 CB SER A 28 93.855 -0.006 10.587 1.00 0.00 C ATOM 254 OG SER A 28 94.967 -0.130 11.460 1.00 0.00 O ATOM 0 H SER A 28 93.520 -0.975 8.348 1.00 0.00 H new ATOM 0 HA SER A 28 93.676 1.694 9.298 1.00 0.00 H new ATOM 0 HB2 SER A 28 93.046 0.515 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 28 93.482 -0.997 10.329 1.00 0.00 H new ATOM 0 HG SER A 28 94.697 -0.617 12.267 1.00 0.00 H new ATOM 260 N ALA A 29 96.509 0.049 8.972 1.00 0.00 N ATOM 261 CA ALA A 29 97.948 0.236 8.891 1.00 0.00 C ATOM 262 C ALA A 29 98.265 1.201 7.763 1.00 0.00 C ATOM 263 O ALA A 29 99.182 2.015 7.857 1.00 0.00 O ATOM 264 CB ALA A 29 98.655 -1.096 8.680 1.00 0.00 C ATOM 0 H ALA A 29 96.190 -0.900 8.777 1.00 0.00 H new ATOM 0 HA ALA A 29 98.309 0.654 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.731 -0.932 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 29 98.434 -1.762 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 29 98.307 -1.550 7.752 1.00 0.00 H new ATOM 270 N LYS A 30 97.468 1.116 6.704 1.00 0.00 N ATOM 271 CA LYS A 30 97.627 1.990 5.553 1.00 0.00 C ATOM 272 C LYS A 30 97.083 3.382 5.863 1.00 0.00 C ATOM 273 O LYS A 30 97.426 4.354 5.190 1.00 0.00 O ATOM 274 CB LYS A 30 96.905 1.406 4.338 1.00 0.00 C ATOM 275 CG LYS A 30 97.239 -0.054 4.077 1.00 0.00 C ATOM 276 CD LYS A 30 98.375 -0.194 3.077 1.00 0.00 C ATOM 277 CE LYS A 30 99.096 -1.524 3.233 1.00 0.00 C ATOM 278 NZ LYS A 30 100.478 -1.349 3.761 1.00 0.00 N ATOM 0 H LYS A 30 96.703 0.447 6.621 1.00 0.00 H new ATOM 0 HA LYS A 30 98.690 2.071 5.326 1.00 0.00 H new ATOM 0 HB2 LYS A 30 95.829 1.504 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.162 1.992 3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.515 -0.538 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 96.355 -0.569 3.700 1.00 0.00 H new ATOM 0 HD2 LYS A 30 97.982 -0.109 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.084 0.623 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.529 -2.167 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 30 99.137 -2.030 2.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 100.935 -2.279 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 101.027 -0.756 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.438 -0.890 4.693 1.00 0.00 H new ATOM 292 N THR A 31 96.236 3.477 6.888 1.00 0.00 N ATOM 293 CA THR A 31 95.656 4.751 7.278 1.00 0.00 C ATOM 294 C THR A 31 96.739 5.723 7.728 1.00 0.00 C ATOM 295 O THR A 31 96.700 6.908 7.396 1.00 0.00 O ATOM 296 CB THR A 31 94.649 4.549 8.402 1.00 0.00 C ATOM 297 OG1 THR A 31 93.621 3.658 8.006 1.00 0.00 O ATOM 298 CG2 THR A 31 94.000 5.836 8.845 1.00 0.00 C ATOM 0 H THR A 31 95.940 2.685 7.459 1.00 0.00 H new ATOM 0 HA THR A 31 95.147 5.172 6.411 1.00 0.00 H new ATOM 0 HB THR A 31 95.218 4.138 9.235 1.00 0.00 H new ATOM 0 HG1 THR A 31 93.849 3.260 7.140 1.00 0.00 H new ATOM 0 HG21 THR A 31 93.292 5.629 9.648 1.00 0.00 H new ATOM 0 HG22 THR A 31 94.765 6.524 9.204 1.00 0.00 H new ATOM 0 HG23 THR A 31 93.473 6.286 8.004 1.00 0.00 H new ATOM 306 N ALA A 32 97.712 5.216 8.482 1.00 0.00 N ATOM 307 CA ALA A 32 98.806 6.048 8.964 1.00 0.00 C ATOM 308 C ALA A 32 99.541 6.694 7.797 1.00 0.00 C ATOM 309 O ALA A 32 100.224 7.704 7.960 1.00 0.00 O ATOM 310 CB ALA A 32 99.765 5.228 9.814 1.00 0.00 C ATOM 0 H ALA A 32 97.763 4.239 8.770 1.00 0.00 H new ATOM 0 HA ALA A 32 98.388 6.840 9.586 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.576 5.866 10.165 1.00 0.00 H new ATOM 0 HB2 ALA A 32 99.231 4.815 10.670 1.00 0.00 H new ATOM 0 HB3 ALA A 32 100.176 4.414 9.216 1.00 0.00 H new ATOM 316 N ALA A 33 99.376 6.110 6.616 1.00 0.00 N ATOM 317 CA ALA A 33 100.006 6.632 5.410 1.00 0.00 C ATOM 318 C ALA A 33 99.136 7.718 4.790 1.00 0.00 C ATOM 319 O ALA A 33 99.636 8.643 4.148 1.00 0.00 O ATOM 320 CB ALA A 33 100.254 5.511 4.411 1.00 0.00 C ATOM 0 H ALA A 33 98.811 5.274 6.468 1.00 0.00 H new ATOM 0 HA ALA A 33 100.967 7.069 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 33 100.725 5.918 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 33 100.910 4.764 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 33 99.305 5.047 4.142 1.00 0.00 H new ATOM 326 N GLN A 34 97.827 7.598 4.996 1.00 0.00 N ATOM 327 CA GLN A 34 96.869 8.565 4.472 1.00 0.00 C ATOM 328 C GLN A 34 97.053 9.924 5.134 1.00 0.00 C ATOM 329 O GLN A 34 96.737 10.964 4.557 1.00 0.00 O ATOM 330 CB GLN A 34 95.445 8.064 4.707 1.00 0.00 C ATOM 331 CG GLN A 34 94.464 8.468 3.618 1.00 0.00 C ATOM 332 CD GLN A 34 93.320 9.312 4.147 1.00 0.00 C ATOM 333 OE1 GLN A 34 93.531 10.272 4.888 1.00 0.00 O ATOM 334 NE2 GLN A 34 92.098 8.955 3.769 1.00 0.00 N ATOM 0 H GLN A 34 97.405 6.835 5.526 1.00 0.00 H new ATOM 0 HA GLN A 34 97.043 8.676 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 34 95.461 6.977 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 34 95.089 8.446 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 34 94.994 9.025 2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 34 94.061 7.572 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 34 91.969 8.152 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 34 91.289 9.484 4.094 1.00 0.00 H new ATOM 343 N ASN A 35 97.556 9.905 6.354 1.00 0.00 N ATOM 344 CA ASN A 35 97.778 11.120 7.110 1.00 0.00 C ATOM 345 C ASN A 35 99.028 11.851 6.630 1.00 0.00 C ATOM 346 O ASN A 35 99.018 13.067 6.438 1.00 0.00 O ATOM 347 CB ASN A 35 97.924 10.756 8.580 1.00 0.00 C ATOM 348 CG ASN A 35 97.034 11.591 9.480 1.00 0.00 C ATOM 349 OD1 ASN A 35 96.620 12.692 9.115 1.00 0.00 O ATOM 350 ND2 ASN A 35 96.736 11.070 10.666 1.00 0.00 N ATOM 0 H ASN A 35 97.820 9.051 6.845 1.00 0.00 H new ATOM 0 HA ASN A 35 96.929 11.788 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 35 97.683 9.701 8.715 1.00 0.00 H new ATOM 0 HB3 ASN A 35 98.963 10.887 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 96.142 11.586 11.315 1.00 0.00 H new ATOM 0 HD22 ASN A 35 97.101 10.154 10.927 1.00 0.00 H new ATOM 357 N LEU A 36 100.109 11.098 6.475 1.00 0.00 N ATOM 358 CA LEU A 36 101.384 11.646 6.059 1.00 0.00 C ATOM 359 C LEU A 36 101.442 11.977 4.564 1.00 0.00 C ATOM 360 O LEU A 36 102.168 12.886 4.164 1.00 0.00 O ATOM 361 CB LEU A 36 102.466 10.641 6.419 1.00 0.00 C ATOM 362 CG LEU A 36 103.615 11.193 7.264 1.00 0.00 C ATOM 363 CD1 LEU A 36 104.561 10.075 7.675 1.00 0.00 C ATOM 364 CD2 LEU A 36 104.365 12.275 6.502 1.00 0.00 C ATOM 0 H LEU A 36 100.122 10.091 6.635 1.00 0.00 H new ATOM 0 HA LEU A 36 101.534 12.593 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 36 102.005 9.813 6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 36 102.879 10.231 5.497 1.00 0.00 H new ATOM 0 HG LEU A 36 103.196 11.636 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 36 105.372 10.487 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 104.016 9.334 8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 36 104.974 9.602 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 36 105.179 12.656 7.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 104.772 11.856 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 36 103.682 13.089 6.259 1.00 0.00 H new ATOM 376 N TYR A 37 100.711 11.233 3.731 1.00 0.00 N ATOM 377 CA TYR A 37 100.747 11.488 2.283 1.00 0.00 C ATOM 378 C TYR A 37 99.412 11.205 1.591 1.00 0.00 C ATOM 379 O TYR A 37 99.299 11.355 0.374 1.00 0.00 O ATOM 380 CB TYR A 37 101.837 10.639 1.635 1.00 0.00 C ATOM 381 CG TYR A 37 103.235 11.140 1.915 1.00 0.00 C ATOM 382 CD1 TYR A 37 103.910 10.757 3.065 1.00 0.00 C ATOM 383 CD2 TYR A 37 103.873 12.009 1.039 1.00 0.00 C ATOM 384 CE1 TYR A 37 105.180 11.225 3.337 1.00 0.00 C ATOM 385 CE2 TYR A 37 105.146 12.479 1.301 1.00 0.00 C ATOM 386 CZ TYR A 37 105.794 12.085 2.452 1.00 0.00 C ATOM 387 OH TYR A 37 107.060 12.554 2.718 1.00 0.00 O ATOM 0 H TYR A 37 100.101 10.468 4.020 1.00 0.00 H new ATOM 0 HA TYR A 37 100.959 12.550 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 37 101.748 9.613 1.992 1.00 0.00 H new ATOM 0 HB3 TYR A 37 101.676 10.616 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 37 103.434 10.081 3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 37 103.366 12.322 0.138 1.00 0.00 H new ATOM 0 HE1 TYR A 37 105.690 10.919 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 37 105.630 13.151 0.608 1.00 0.00 H new ATOM 0 HH TYR A 37 107.347 13.148 1.994 1.00 0.00 H new ATOM 397 N GLU A 38 98.407 10.796 2.354 1.00 0.00 N ATOM 398 CA GLU A 38 97.094 10.495 1.791 1.00 0.00 C ATOM 399 C GLU A 38 97.133 9.189 1.012 1.00 0.00 C ATOM 400 O GLU A 38 96.392 9.005 0.047 1.00 0.00 O ATOM 401 CB GLU A 38 96.630 11.638 0.889 1.00 0.00 C ATOM 402 CG GLU A 38 95.119 11.791 0.825 1.00 0.00 C ATOM 403 CD GLU A 38 94.678 13.242 0.823 1.00 0.00 C ATOM 404 OE1 GLU A 38 95.008 13.961 -0.143 1.00 0.00 O ATOM 405 OE2 GLU A 38 94.006 13.659 1.789 1.00 0.00 O ATOM 0 H GLU A 38 98.474 10.665 3.363 1.00 0.00 H new ATOM 0 HA GLU A 38 96.384 10.386 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 38 97.066 12.571 1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 38 97.013 11.473 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 38 94.746 11.301 -0.074 1.00 0.00 H new ATOM 0 HG3 GLU A 38 94.670 11.280 1.676 1.00 0.00 H new ATOM 412 N LYS A 39 97.997 8.277 1.450 1.00 0.00 N ATOM 413 CA LYS A 39 98.129 6.976 0.804 1.00 0.00 C ATOM 414 C LYS A 39 98.358 7.121 -0.699 1.00 0.00 C ATOM 415 O LYS A 39 98.093 6.195 -1.465 1.00 0.00 O ATOM 416 CB LYS A 39 96.875 6.141 1.055 1.00 0.00 C ATOM 417 CG LYS A 39 97.059 5.075 2.124 1.00 0.00 C ATOM 418 CD LYS A 39 97.242 3.695 1.509 1.00 0.00 C ATOM 419 CE LYS A 39 98.629 3.137 1.790 1.00 0.00 C ATOM 420 NZ LYS A 39 99.555 3.347 0.643 1.00 0.00 N ATOM 0 H LYS A 39 98.615 8.416 2.249 1.00 0.00 H new ATOM 0 HA LYS A 39 98.996 6.475 1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 39 96.061 6.803 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 39 96.575 5.662 0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 39 97.926 5.319 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 39 96.193 5.068 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A 39 96.488 3.016 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 39 97.083 3.752 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 39 99.039 3.615 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 39 98.555 2.071 2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 100.387 2.732 0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 99.066 3.115 -0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 99.860 4.341 0.621 1.00 0.00 H new ATOM 434 N THR A 40 98.835 8.289 -1.118 1.00 0.00 N ATOM 435 CA THR A 40 99.082 8.547 -2.531 1.00 0.00 C ATOM 436 C THR A 40 100.566 8.438 -2.869 1.00 0.00 C ATOM 437 O THR A 40 100.969 7.601 -3.677 1.00 0.00 O ATOM 438 CB THR A 40 98.566 9.935 -2.906 1.00 0.00 C ATOM 439 OG1 THR A 40 97.627 10.397 -1.952 1.00 0.00 O ATOM 440 CG2 THR A 40 97.898 9.970 -4.259 1.00 0.00 C ATOM 0 H THR A 40 99.058 9.070 -0.500 1.00 0.00 H new ATOM 0 HA THR A 40 98.549 7.791 -3.107 1.00 0.00 H new ATOM 0 HB THR A 40 99.447 10.576 -2.932 1.00 0.00 H new ATOM 0 HG1 THR A 40 97.310 11.288 -2.210 1.00 0.00 H new ATOM 0 HG21 THR A 40 97.553 10.983 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 40 98.611 9.664 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 40 97.047 9.289 -4.262 1.00 0.00 H new ATOM 448 N TYR A 41 101.369 9.291 -2.249 1.00 0.00 N ATOM 449 CA TYR A 41 102.808 9.306 -2.478 1.00 0.00 C ATOM 450 C TYR A 41 103.433 7.936 -2.213 1.00 0.00 C ATOM 451 O TYR A 41 104.526 7.640 -2.695 1.00 0.00 O ATOM 452 CB TYR A 41 103.457 10.358 -1.583 1.00 0.00 C ATOM 453 CG TYR A 41 104.417 11.275 -2.309 1.00 0.00 C ATOM 454 CD1 TYR A 41 103.960 12.172 -3.268 1.00 0.00 C ATOM 455 CD2 TYR A 41 105.777 11.250 -2.031 1.00 0.00 C ATOM 456 CE1 TYR A 41 104.832 13.016 -3.929 1.00 0.00 C ATOM 457 CE2 TYR A 41 106.656 12.090 -2.688 1.00 0.00 C ATOM 458 CZ TYR A 41 106.179 12.971 -3.635 1.00 0.00 C ATOM 459 OH TYR A 41 107.052 13.812 -4.290 1.00 0.00 O ATOM 0 H TYR A 41 101.045 9.988 -1.578 1.00 0.00 H new ATOM 0 HA TYR A 41 102.983 9.554 -3.525 1.00 0.00 H new ATOM 0 HB2 TYR A 41 102.675 10.960 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 41 103.991 9.855 -0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 41 102.906 12.210 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 41 106.154 10.562 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 41 104.461 13.707 -4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 41 107.711 12.056 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 41 107.963 13.654 -3.966 1.00 0.00 H new ATOM 469 N LEU A 42 102.742 7.111 -1.432 1.00 0.00 N ATOM 470 CA LEU A 42 103.238 5.781 -1.100 1.00 0.00 C ATOM 471 C LEU A 42 103.098 4.817 -2.280 1.00 0.00 C ATOM 472 O LEU A 42 104.097 4.303 -2.783 1.00 0.00 O ATOM 473 CB LEU A 42 102.504 5.228 0.125 1.00 0.00 C ATOM 474 CG LEU A 42 103.410 4.754 1.262 1.00 0.00 C ATOM 475 CD1 LEU A 42 102.726 4.949 2.606 1.00 0.00 C ATOM 476 CD2 LEU A 42 103.792 3.295 1.062 1.00 0.00 C ATOM 0 H LEU A 42 101.838 7.340 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 42 104.299 5.873 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 42 101.837 6.000 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 42 101.877 4.394 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 42 104.320 5.353 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.386 4.606 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.502 6.006 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.800 4.375 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.437 2.972 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.891 2.682 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.322 3.184 0.116 1.00 0.00 H new ATOM 488 N PRO A 43 101.855 4.546 -2.731 1.00 0.00 N ATOM 489 CA PRO A 43 101.585 3.634 -3.841 1.00 0.00 C ATOM 490 C PRO A 43 102.678 3.640 -4.911 1.00 0.00 C ATOM 491 O PRO A 43 103.431 2.674 -5.041 1.00 0.00 O ATOM 492 CB PRO A 43 100.269 4.162 -4.412 1.00 0.00 C ATOM 493 CG PRO A 43 99.594 4.892 -3.290 1.00 0.00 C ATOM 494 CD PRO A 43 100.606 5.098 -2.186 1.00 0.00 C ATOM 0 HA PRO A 43 101.544 2.597 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 43 100.449 4.827 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 43 99.646 3.345 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 43 99.209 5.851 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 43 98.742 4.321 -2.923 1.00 0.00 H new ATOM 0 HD2 PRO A 43 100.713 6.154 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 43 100.309 4.583 -1.273 1.00 0.00 H new ATOM 502 N ALA A 44 102.762 4.728 -5.674 1.00 0.00 N ATOM 503 CA ALA A 44 103.765 4.845 -6.729 1.00 0.00 C ATOM 504 C ALA A 44 103.620 6.163 -7.481 1.00 0.00 C ATOM 505 O ALA A 44 103.099 6.199 -8.595 1.00 0.00 O ATOM 506 CB ALA A 44 103.660 3.670 -7.694 1.00 0.00 C ATOM 0 H ALA A 44 102.150 5.538 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 44 104.750 4.829 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 44 104.414 3.772 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.822 2.738 -7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 44 102.669 3.658 -8.147 1.00 0.00 H new ATOM 512 N VAL A 45 104.084 7.246 -6.867 1.00 0.00 N ATOM 513 CA VAL A 45 104.005 8.568 -7.480 1.00 0.00 C ATOM 514 C VAL A 45 105.358 8.997 -8.039 1.00 0.00 C ATOM 515 O VAL A 45 105.534 9.095 -9.253 1.00 0.00 O ATOM 516 CB VAL A 45 103.517 9.624 -6.468 1.00 0.00 C ATOM 517 CG1 VAL A 45 103.372 10.987 -7.133 1.00 0.00 C ATOM 518 CG2 VAL A 45 102.201 9.190 -5.841 1.00 0.00 C ATOM 0 H VAL A 45 104.519 7.235 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 45 103.286 8.499 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 45 104.264 9.712 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 103.027 11.715 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 45 104.337 11.302 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 45 102.649 10.920 -7.946 1.00 0.00 H new ATOM 0 HG21 VAL A 45 101.870 9.946 -5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 45 101.448 9.071 -6.620 1.00 0.00 H new ATOM 0 HG23 VAL A 45 102.340 8.241 -5.324 1.00 0.00 H new ATOM 528 N ASP A 46 106.309 9.256 -7.148 1.00 0.00 N ATOM 529 CA ASP A 46 107.643 9.678 -7.558 1.00 0.00 C ATOM 530 C ASP A 46 108.453 8.506 -8.101 1.00 0.00 C ATOM 531 O ASP A 46 109.384 8.693 -8.883 1.00 0.00 O ATOM 532 CB ASP A 46 108.382 10.324 -6.384 1.00 0.00 C ATOM 533 CG ASP A 46 109.388 11.365 -6.837 1.00 0.00 C ATOM 534 OD1 ASP A 46 109.011 12.247 -7.636 1.00 0.00 O ATOM 535 OD2 ASP A 46 110.554 11.295 -6.394 1.00 0.00 O ATOM 0 H ASP A 46 106.181 9.181 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 46 107.529 10.411 -8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 46 107.659 10.789 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 46 108.895 9.551 -5.812 1.00 0.00 H new ATOM 540 N GLU A 47 108.092 7.297 -7.685 1.00 0.00 N ATOM 541 CA GLU A 47 108.790 6.101 -8.138 1.00 0.00 C ATOM 542 C GLU A 47 108.358 5.719 -9.547 1.00 0.00 C ATOM 543 O GLU A 47 109.191 5.540 -10.434 1.00 0.00 O ATOM 544 CB GLU A 47 108.525 4.938 -7.191 1.00 0.00 C ATOM 545 CG GLU A 47 108.796 5.263 -5.730 1.00 0.00 C ATOM 546 CD GLU A 47 108.734 4.038 -4.840 1.00 0.00 C ATOM 547 OE1 GLU A 47 107.705 3.330 -4.873 1.00 0.00 O ATOM 548 OE2 GLU A 47 109.715 3.786 -4.108 1.00 0.00 O ATOM 0 H GLU A 47 107.324 7.120 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 47 109.857 6.322 -8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 107.487 4.624 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 109.145 4.092 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 47 109.780 5.723 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 47 108.068 5.997 -5.384 1.00 0.00 H new ATOM 555 N LYS A 48 107.050 5.599 -9.748 1.00 0.00 N ATOM 556 CA LYS A 48 106.512 5.244 -11.056 1.00 0.00 C ATOM 557 C LYS A 48 107.013 6.218 -12.115 1.00 0.00 C ATOM 558 O LYS A 48 107.244 5.841 -13.264 1.00 0.00 O ATOM 559 CB LYS A 48 104.982 5.239 -11.022 1.00 0.00 C ATOM 560 CG LYS A 48 104.369 3.935 -11.508 1.00 0.00 C ATOM 561 CD LYS A 48 103.109 4.181 -12.324 1.00 0.00 C ATOM 562 CE LYS A 48 101.863 4.121 -11.454 1.00 0.00 C ATOM 563 NZ LYS A 48 101.453 5.472 -10.977 1.00 0.00 N ATOM 0 H LYS A 48 106.345 5.742 -9.025 1.00 0.00 H new ATOM 0 HA LYS A 48 106.856 4.242 -11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 48 104.648 5.430 -10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 48 104.610 6.058 -11.638 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.096 3.394 -12.113 1.00 0.00 H new ATOM 0 HG3 LYS A 48 104.132 3.302 -10.653 1.00 0.00 H new ATOM 0 HD2 LYS A 48 103.171 5.156 -12.806 1.00 0.00 H new ATOM 0 HD3 LYS A 48 103.037 3.437 -13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 48 101.046 3.672 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 48 102.050 3.474 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 100.454 5.450 -10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 102.042 5.747 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 101.577 6.163 -11.744 1.00 0.00 H new ATOM 577 N LEU A 49 107.188 7.470 -11.712 1.00 0.00 N ATOM 578 CA LEU A 49 107.675 8.502 -12.614 1.00 0.00 C ATOM 579 C LEU A 49 109.204 8.519 -12.642 1.00 0.00 C ATOM 580 O LEU A 49 109.809 9.087 -13.550 1.00 0.00 O ATOM 581 CB LEU A 49 107.124 9.871 -12.192 1.00 0.00 C ATOM 582 CG LEU A 49 108.026 10.695 -11.266 1.00 0.00 C ATOM 583 CD1 LEU A 49 109.073 11.452 -12.071 1.00 0.00 C ATOM 584 CD2 LEU A 49 107.193 11.658 -10.431 1.00 0.00 C ATOM 0 H LEU A 49 106.999 7.794 -10.764 1.00 0.00 H new ATOM 0 HA LEU A 49 107.323 8.280 -13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 49 106.927 10.455 -13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 49 106.166 9.719 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 49 108.542 10.012 -10.592 1.00 0.00 H new ATOM 0 HD11 LEU A 49 109.703 12.031 -11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 49 109.689 10.743 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 49 108.577 12.125 -12.771 1.00 0.00 H new ATOM 0 HD21 LEU A 49 107.849 12.235 -9.779 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.649 12.335 -11.090 1.00 0.00 H new ATOM 0 HD23 LEU A 49 106.484 11.094 -9.825 1.00 0.00 H new ATOM 596 N ARG A 50 109.825 7.893 -11.639 1.00 0.00 N ATOM 597 CA ARG A 50 111.281 7.842 -11.561 1.00 0.00 C ATOM 598 C ARG A 50 111.746 6.621 -10.771 1.00 0.00 C ATOM 599 O ARG A 50 111.887 6.676 -9.549 1.00 0.00 O ATOM 600 CB ARG A 50 111.821 9.122 -10.915 1.00 0.00 C ATOM 601 CG ARG A 50 112.773 9.900 -11.809 1.00 0.00 C ATOM 602 CD ARG A 50 112.704 11.393 -11.527 1.00 0.00 C ATOM 603 NE ARG A 50 113.933 12.081 -11.914 1.00 0.00 N ATOM 604 CZ ARG A 50 114.025 13.400 -12.069 1.00 0.00 C ATOM 605 NH1 ARG A 50 112.966 14.175 -11.869 1.00 0.00 N ATOM 606 NH2 ARG A 50 115.179 13.946 -12.425 1.00 0.00 N ATOM 0 H ARG A 50 109.343 7.418 -10.876 1.00 0.00 H new ATOM 0 HA ARG A 50 111.672 7.761 -12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 50 110.983 9.764 -10.645 1.00 0.00 H new ATOM 0 HB3 ARG A 50 112.335 8.863 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 50 113.792 9.546 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 50 112.527 9.714 -12.854 1.00 0.00 H new ATOM 0 HD2 ARG A 50 111.861 11.825 -12.067 1.00 0.00 H new ATOM 0 HD3 ARG A 50 112.518 11.553 -10.465 1.00 0.00 H new ATOM 0 HE ARG A 50 114.769 11.519 -12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 50 112.075 13.761 -11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 50 113.043 15.185 -11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 50 115.996 13.356 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 50 115.250 14.957 -12.544 1.00 0.00 H new ATOM 620 N ASP A 51 111.988 5.522 -11.478 1.00 0.00 N ATOM 621 CA ASP A 51 112.445 4.289 -10.850 1.00 0.00 C ATOM 622 C ASP A 51 113.387 3.530 -11.775 1.00 0.00 C ATOM 623 O ASP A 51 114.533 3.256 -11.421 1.00 0.00 O ATOM 624 CB ASP A 51 111.254 3.404 -10.478 1.00 0.00 C ATOM 625 CG ASP A 51 110.983 3.404 -8.986 1.00 0.00 C ATOM 626 OD1 ASP A 51 111.164 4.464 -8.351 1.00 0.00 O ATOM 627 OD2 ASP A 51 110.589 2.344 -8.454 1.00 0.00 O ATOM 0 H ASP A 51 111.875 5.461 -12.490 1.00 0.00 H new ATOM 0 HA ASP A 51 112.986 4.553 -9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 51 110.366 3.752 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 51 111.444 2.384 -10.811 1.00 0.00 H new ATOM 632 N LEU A 52 112.900 3.196 -12.966 1.00 0.00 N ATOM 633 CA LEU A 52 113.707 2.471 -13.944 1.00 0.00 C ATOM 634 C LEU A 52 115.074 3.128 -14.111 1.00 0.00 C ATOM 635 O LEU A 52 116.066 2.461 -14.403 1.00 0.00 O ATOM 636 CB LEU A 52 112.983 2.417 -15.292 1.00 0.00 C ATOM 637 CG LEU A 52 112.605 3.779 -15.880 1.00 0.00 C ATOM 638 CD1 LEU A 52 113.565 4.165 -16.996 1.00 0.00 C ATOM 639 CD2 LEU A 52 111.172 3.763 -16.392 1.00 0.00 C ATOM 0 H LEU A 52 111.954 3.415 -13.277 1.00 0.00 H new ATOM 0 HA LEU A 52 113.855 1.455 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 52 113.617 1.893 -16.007 1.00 0.00 H new ATOM 0 HB3 LEU A 52 112.076 1.824 -15.176 1.00 0.00 H new ATOM 0 HG LEU A 52 112.679 4.525 -15.089 1.00 0.00 H new ATOM 0 HD11 LEU A 52 113.280 5.136 -17.401 1.00 0.00 H new ATOM 0 HD12 LEU A 52 114.579 4.220 -16.601 1.00 0.00 H new ATOM 0 HD13 LEU A 52 113.524 3.416 -17.786 1.00 0.00 H new ATOM 0 HD21 LEU A 52 110.923 4.740 -16.806 1.00 0.00 H new ATOM 0 HD22 LEU A 52 111.071 3.004 -17.168 1.00 0.00 H new ATOM 0 HD23 LEU A 52 110.494 3.534 -15.570 1.00 0.00 H new ATOM 651 N TYR A 53 115.111 4.441 -13.916 1.00 0.00 N ATOM 652 CA TYR A 53 116.346 5.210 -14.041 1.00 0.00 C ATOM 653 C TYR A 53 117.111 5.247 -12.721 1.00 0.00 C ATOM 654 O TYR A 53 118.288 4.897 -12.662 1.00 0.00 O ATOM 655 CB TYR A 53 116.022 6.640 -14.473 1.00 0.00 C ATOM 656 CG TYR A 53 117.050 7.232 -15.407 1.00 0.00 C ATOM 657 CD1 TYR A 53 118.203 7.830 -14.912 1.00 0.00 C ATOM 658 CD2 TYR A 53 116.876 7.181 -16.784 1.00 0.00 C ATOM 659 CE1 TYR A 53 119.153 8.360 -15.764 1.00 0.00 C ATOM 660 CE2 TYR A 53 117.820 7.711 -17.643 1.00 0.00 C ATOM 661 CZ TYR A 53 118.956 8.299 -17.128 1.00 0.00 C ATOM 662 OH TYR A 53 119.901 8.826 -17.980 1.00 0.00 O ATOM 0 H TYR A 53 114.294 5.000 -13.669 1.00 0.00 H new ATOM 0 HA TYR A 53 116.970 4.724 -14.791 1.00 0.00 H new ATOM 0 HB2 TYR A 53 115.048 6.652 -14.962 1.00 0.00 H new ATOM 0 HB3 TYR A 53 115.942 7.270 -13.587 1.00 0.00 H new ATOM 0 HD1 TYR A 53 118.359 7.881 -13.845 1.00 0.00 H new ATOM 0 HD2 TYR A 53 115.988 6.719 -17.190 1.00 0.00 H new ATOM 0 HE1 TYR A 53 120.045 8.819 -15.364 1.00 0.00 H new ATOM 0 HE2 TYR A 53 117.669 7.665 -18.711 1.00 0.00 H new ATOM 0 HH TYR A 53 119.611 8.701 -18.908 1.00 0.00 H new ATOM 672 N SER A 54 116.432 5.693 -11.671 1.00 0.00 N ATOM 673 CA SER A 54 117.042 5.806 -10.347 1.00 0.00 C ATOM 674 C SER A 54 116.869 4.531 -9.523 1.00 0.00 C ATOM 675 O SER A 54 116.793 4.585 -8.297 1.00 0.00 O ATOM 676 CB SER A 54 116.437 6.993 -9.592 1.00 0.00 C ATOM 677 OG SER A 54 117.441 7.736 -8.922 1.00 0.00 O ATOM 0 H SER A 54 115.455 5.984 -11.709 1.00 0.00 H new ATOM 0 HA SER A 54 118.111 5.964 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 54 115.906 7.640 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 54 115.704 6.633 -8.870 1.00 0.00 H new ATOM 0 HG SER A 54 117.030 8.489 -8.449 1.00 0.00 H new ATOM 683 N LYS A 55 116.816 3.388 -10.196 1.00 0.00 N ATOM 684 CA LYS A 55 116.665 2.109 -9.507 1.00 0.00 C ATOM 685 C LYS A 55 117.308 0.982 -10.307 1.00 0.00 C ATOM 686 O LYS A 55 118.040 0.158 -9.759 1.00 0.00 O ATOM 687 CB LYS A 55 115.189 1.798 -9.258 1.00 0.00 C ATOM 688 CG LYS A 55 114.955 0.888 -8.064 1.00 0.00 C ATOM 689 CD LYS A 55 113.610 0.186 -8.152 1.00 0.00 C ATOM 690 CE LYS A 55 113.741 -1.193 -8.776 1.00 0.00 C ATOM 691 NZ LYS A 55 113.676 -1.139 -10.262 1.00 0.00 N ATOM 0 H LYS A 55 116.875 3.319 -11.212 1.00 0.00 H new ATOM 0 HA LYS A 55 117.173 2.186 -8.546 1.00 0.00 H new ATOM 0 HB2 LYS A 55 114.650 2.733 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 55 114.769 1.331 -10.149 1.00 0.00 H new ATOM 0 HG2 LYS A 55 115.751 0.145 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 55 115.002 1.473 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 55 113.180 0.096 -7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 55 112.921 0.790 -8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 114.686 -1.641 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 55 112.946 -1.838 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 113.513 -2.095 -10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 112.896 -0.516 -10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 114.573 -0.768 -10.635 1.00 0.00 H new ATOM 705 N SER A 56 117.039 0.955 -11.606 1.00 0.00 N ATOM 706 CA SER A 56 117.604 -0.073 -12.473 1.00 0.00 C ATOM 707 C SER A 56 119.016 0.300 -12.921 1.00 0.00 C ATOM 708 O SER A 56 119.718 -0.511 -13.526 1.00 0.00 O ATOM 709 CB SER A 56 116.710 -0.287 -13.692 1.00 0.00 C ATOM 710 OG SER A 56 116.470 -1.665 -13.914 1.00 0.00 O ATOM 0 H SER A 56 116.437 1.628 -12.081 1.00 0.00 H new ATOM 0 HA SER A 56 117.660 -1.000 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 56 115.762 0.231 -13.547 1.00 0.00 H new ATOM 0 HB3 SER A 56 117.181 0.150 -14.573 1.00 0.00 H new ATOM 0 HG SER A 56 115.894 -1.774 -14.699 1.00 0.00 H new ATOM 716 N THR A 57 119.426 1.531 -12.625 1.00 0.00 N ATOM 717 CA THR A 57 120.752 2.005 -13.000 1.00 0.00 C ATOM 718 C THR A 57 121.584 2.340 -11.765 1.00 0.00 C ATOM 719 O THR A 57 122.800 2.162 -11.760 1.00 0.00 O ATOM 720 CB THR A 57 120.636 3.237 -13.899 1.00 0.00 C ATOM 721 OG1 THR A 57 119.869 2.948 -15.054 1.00 0.00 O ATOM 722 CG2 THR A 57 121.976 3.770 -14.358 1.00 0.00 C ATOM 0 H THR A 57 118.858 2.217 -12.127 1.00 0.00 H new ATOM 0 HA THR A 57 121.255 1.207 -13.546 1.00 0.00 H new ATOM 0 HB THR A 57 120.151 3.996 -13.286 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.806 3.750 -15.614 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.822 4.643 -14.992 1.00 0.00 H new ATOM 0 HG22 THR A 57 122.572 4.052 -13.490 1.00 0.00 H new ATOM 0 HG23 THR A 57 122.500 2.999 -14.923 1.00 0.00 H new ATOM 730 N ALA A 58 120.921 2.833 -10.721 1.00 0.00 N ATOM 731 CA ALA A 58 121.606 3.199 -9.485 1.00 0.00 C ATOM 732 C ALA A 58 121.379 2.165 -8.393 1.00 0.00 C ATOM 733 O ALA A 58 122.332 1.635 -7.822 1.00 0.00 O ATOM 734 CB ALA A 58 121.152 4.573 -9.017 1.00 0.00 C ATOM 0 H ALA A 58 119.913 2.988 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 58 122.675 3.231 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 58 121.671 4.833 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 58 121.382 5.313 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 58 120.077 4.559 -8.837 1.00 0.00 H new ATOM 740 N ALA A 59 120.116 1.872 -8.110 1.00 0.00 N ATOM 741 CA ALA A 59 119.782 0.889 -7.088 1.00 0.00 C ATOM 742 C ALA A 59 120.248 -0.507 -7.495 1.00 0.00 C ATOM 743 O ALA A 59 120.202 -1.441 -6.696 1.00 0.00 O ATOM 744 CB ALA A 59 118.286 0.892 -6.808 1.00 0.00 C ATOM 0 H ALA A 59 119.311 2.298 -8.570 1.00 0.00 H new ATOM 0 HA ALA A 59 120.305 1.166 -6.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 118.058 0.151 -6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 59 117.983 1.879 -6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 59 117.744 0.648 -7.722 1.00 0.00 H new ATOM 750 N MET A 60 120.697 -0.649 -8.743 1.00 0.00 N ATOM 751 CA MET A 60 121.167 -1.937 -9.234 1.00 0.00 C ATOM 752 C MET A 60 122.649 -2.131 -8.930 1.00 0.00 C ATOM 753 O MET A 60 123.049 -3.151 -8.370 1.00 0.00 O ATOM 754 CB MET A 60 120.925 -2.050 -10.740 1.00 0.00 C ATOM 755 CG MET A 60 119.554 -2.601 -11.096 1.00 0.00 C ATOM 756 SD MET A 60 119.540 -4.399 -11.227 1.00 0.00 S ATOM 757 CE MET A 60 120.108 -4.620 -12.911 1.00 0.00 C ATOM 0 H MET A 60 120.744 0.108 -9.425 1.00 0.00 H new ATOM 0 HA MET A 60 120.606 -2.718 -8.722 1.00 0.00 H new ATOM 0 HB2 MET A 60 121.041 -1.065 -11.193 1.00 0.00 H new ATOM 0 HB3 MET A 60 121.690 -2.693 -11.175 1.00 0.00 H new ATOM 0 HG2 MET A 60 118.834 -2.290 -10.339 1.00 0.00 H new ATOM 0 HG3 MET A 60 119.228 -2.169 -12.042 1.00 0.00 H new ATOM 0 HE1 MET A 60 120.153 -5.684 -13.143 1.00 0.00 H new ATOM 0 HE2 MET A 60 119.417 -4.128 -13.596 1.00 0.00 H new ATOM 0 HE3 MET A 60 121.100 -4.183 -13.021 1.00 0.00 H new ATOM 767 N SER A 61 123.460 -1.148 -9.304 1.00 0.00 N ATOM 768 CA SER A 61 124.900 -1.215 -9.074 1.00 0.00 C ATOM 769 C SER A 61 125.264 -0.694 -7.685 1.00 0.00 C ATOM 770 O SER A 61 126.308 -1.048 -7.137 1.00 0.00 O ATOM 771 CB SER A 61 125.646 -0.411 -10.140 1.00 0.00 C ATOM 772 OG SER A 61 125.368 0.974 -10.022 1.00 0.00 O ATOM 0 H SER A 61 123.146 -0.295 -9.768 1.00 0.00 H new ATOM 0 HA SER A 61 125.199 -2.261 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 61 126.719 -0.579 -10.043 1.00 0.00 H new ATOM 0 HB3 SER A 61 125.357 -0.760 -11.131 1.00 0.00 H new ATOM 0 HG SER A 61 124.585 1.198 -10.567 1.00 0.00 H new ATOM 778 N THR A 62 124.405 0.151 -7.124 1.00 0.00 N ATOM 779 CA THR A 62 124.649 0.721 -5.803 1.00 0.00 C ATOM 780 C THR A 62 124.154 -0.202 -4.689 1.00 0.00 C ATOM 781 O THR A 62 124.424 0.040 -3.514 1.00 0.00 O ATOM 782 CB THR A 62 123.972 2.085 -5.682 1.00 0.00 C ATOM 783 OG1 THR A 62 124.299 2.907 -6.790 1.00 0.00 O ATOM 784 CG2 THR A 62 124.357 2.836 -4.425 1.00 0.00 C ATOM 0 H THR A 62 123.536 0.456 -7.562 1.00 0.00 H new ATOM 0 HA THR A 62 125.727 0.838 -5.691 1.00 0.00 H new ATOM 0 HB THR A 62 122.903 1.874 -5.647 1.00 0.00 H new ATOM 0 HG1 THR A 62 123.778 2.626 -7.571 1.00 0.00 H new ATOM 0 HG21 THR A 62 123.841 3.796 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 62 124.074 2.251 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 62 125.434 3.003 -4.416 1.00 0.00 H new ATOM 792 N TYR A 63 123.434 -1.260 -5.057 1.00 0.00 N ATOM 793 CA TYR A 63 122.912 -2.202 -4.084 1.00 0.00 C ATOM 794 C TYR A 63 124.035 -3.038 -3.487 1.00 0.00 C ATOM 795 O TYR A 63 123.979 -3.433 -2.323 1.00 0.00 O ATOM 796 CB TYR A 63 121.901 -3.107 -4.763 1.00 0.00 C ATOM 797 CG TYR A 63 120.550 -3.130 -4.084 1.00 0.00 C ATOM 798 CD1 TYR A 63 119.750 -1.994 -4.050 1.00 0.00 C ATOM 799 CD2 TYR A 63 120.076 -4.286 -3.478 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.515 -2.011 -3.430 1.00 0.00 C ATOM 801 CE2 TYR A 63 118.842 -4.311 -2.856 1.00 0.00 C ATOM 802 CZ TYR A 63 118.066 -3.171 -2.834 1.00 0.00 C ATOM 803 OH TYR A 63 116.837 -3.192 -2.216 1.00 0.00 O ATOM 0 H TYR A 63 123.201 -1.482 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 63 122.432 -1.649 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 63 121.773 -2.783 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 63 122.299 -4.121 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 63 120.099 -1.084 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 63 120.682 -5.180 -3.493 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.904 -1.120 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 63 118.487 -5.218 -2.390 1.00 0.00 H new ATOM 0 HH TYR A 63 116.671 -4.085 -1.848 1.00 0.00 H new ATOM 813 N THR A 64 125.060 -3.293 -4.292 1.00 0.00 N ATOM 814 CA THR A 64 126.210 -4.070 -3.839 1.00 0.00 C ATOM 815 C THR A 64 126.815 -3.427 -2.599 1.00 0.00 C ATOM 816 O THR A 64 127.492 -4.083 -1.806 1.00 0.00 O ATOM 817 CB THR A 64 127.260 -4.178 -4.946 1.00 0.00 C ATOM 818 OG1 THR A 64 126.696 -3.860 -6.206 1.00 0.00 O ATOM 819 CG2 THR A 64 127.877 -5.557 -5.053 1.00 0.00 C ATOM 0 H THR A 64 125.119 -2.975 -5.259 1.00 0.00 H new ATOM 0 HA THR A 64 125.873 -5.076 -3.589 1.00 0.00 H new ATOM 0 HB THR A 64 128.041 -3.468 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 64 126.731 -2.890 -6.345 1.00 0.00 H new ATOM 0 HG21 THR A 64 128.613 -5.565 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 64 128.365 -5.811 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 64 127.098 -6.289 -5.267 1.00 0.00 H new ATOM 827 N GLY A 65 126.543 -2.140 -2.435 1.00 0.00 N ATOM 828 CA GLY A 65 127.035 -1.411 -1.288 1.00 0.00 C ATOM 829 C GLY A 65 126.006 -1.350 -0.179 1.00 0.00 C ATOM 830 O GLY A 65 126.346 -1.102 0.978 1.00 0.00 O ATOM 0 H GLY A 65 125.985 -1.585 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 65 127.943 -1.887 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 65 127.306 -0.399 -1.589 1.00 0.00 H new ATOM 834 N ILE A 66 124.741 -1.589 -0.529 1.00 0.00 N ATOM 835 CA ILE A 66 123.667 -1.570 0.452 1.00 0.00 C ATOM 836 C ILE A 66 123.446 -2.957 1.045 1.00 0.00 C ATOM 837 O ILE A 66 122.782 -3.108 2.070 1.00 0.00 O ATOM 838 CB ILE A 66 122.347 -1.064 -0.163 1.00 0.00 C ATOM 839 CG1 ILE A 66 122.558 0.297 -0.827 1.00 0.00 C ATOM 840 CG2 ILE A 66 121.262 -0.976 0.901 1.00 0.00 C ATOM 841 CD1 ILE A 66 123.047 1.365 0.127 1.00 0.00 C ATOM 0 H ILE A 66 124.441 -1.797 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 66 123.971 -0.883 1.242 1.00 0.00 H new ATOM 0 HB ILE A 66 122.024 -1.775 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 66 123.278 0.189 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 66 121.619 0.623 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 66 120.337 -0.617 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 66 121.095 -1.963 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 66 121.575 -0.285 1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 66 123.175 2.304 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 66 122.317 1.501 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 66 124.002 1.060 0.556 1.00 0.00 H new ATOM 853 N PHE A 67 124.011 -3.965 0.393 1.00 0.00 N ATOM 854 CA PHE A 67 123.885 -5.339 0.846 1.00 0.00 C ATOM 855 C PHE A 67 124.590 -5.542 2.182 1.00 0.00 C ATOM 856 O PHE A 67 123.960 -5.867 3.188 1.00 0.00 O ATOM 857 CB PHE A 67 124.472 -6.267 -0.208 1.00 0.00 C ATOM 858 CG PHE A 67 123.642 -7.493 -0.459 1.00 0.00 C ATOM 859 CD1 PHE A 67 122.406 -7.394 -1.077 1.00 0.00 C ATOM 860 CD2 PHE A 67 124.097 -8.744 -0.074 1.00 0.00 C ATOM 861 CE1 PHE A 67 121.638 -8.519 -1.305 1.00 0.00 C ATOM 862 CE2 PHE A 67 123.332 -9.873 -0.298 1.00 0.00 C ATOM 863 CZ PHE A 67 122.100 -9.760 -0.914 1.00 0.00 C ATOM 0 H PHE A 67 124.564 -3.853 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 67 122.829 -5.569 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 67 124.584 -5.717 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 67 125.471 -6.572 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 67 122.039 -6.426 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 67 125.060 -8.838 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 67 120.677 -8.428 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 67 123.697 -10.842 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 67 121.500 -10.641 -1.089 1.00 0.00 H new ATOM 873 N THR A 68 125.900 -5.350 2.177 1.00 0.00 N ATOM 874 CA THR A 68 126.708 -5.511 3.381 1.00 0.00 C ATOM 875 C THR A 68 126.464 -4.370 4.367 1.00 0.00 C ATOM 876 O THR A 68 126.666 -4.524 5.571 1.00 0.00 O ATOM 877 CB THR A 68 128.194 -5.578 3.018 1.00 0.00 C ATOM 878 OG1 THR A 68 128.364 -5.759 1.624 1.00 0.00 O ATOM 879 CG2 THR A 68 128.931 -6.699 3.718 1.00 0.00 C ATOM 0 H THR A 68 126.431 -5.081 1.349 1.00 0.00 H new ATOM 0 HA THR A 68 126.413 -6.445 3.860 1.00 0.00 H new ATOM 0 HB THR A 68 128.613 -4.627 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 68 128.366 -4.886 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 68 129.978 -6.690 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 68 128.863 -6.561 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 68 128.483 -7.655 3.445 1.00 0.00 H new ATOM 887 N ASP A 69 126.037 -3.222 3.848 1.00 0.00 N ATOM 888 CA ASP A 69 125.773 -2.053 4.683 1.00 0.00 C ATOM 889 C ASP A 69 124.797 -2.383 5.809 1.00 0.00 C ATOM 890 O ASP A 69 124.791 -1.723 6.847 1.00 0.00 O ATOM 891 CB ASP A 69 125.224 -0.907 3.831 1.00 0.00 C ATOM 892 CG ASP A 69 126.153 0.292 3.802 1.00 0.00 C ATOM 893 OD1 ASP A 69 127.367 0.096 3.581 1.00 0.00 O ATOM 894 OD2 ASP A 69 125.667 1.425 4.002 1.00 0.00 O ATOM 0 H ASP A 69 125.866 -3.076 2.853 1.00 0.00 H new ATOM 0 HA ASP A 69 126.716 -1.744 5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 69 125.061 -1.261 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 69 124.253 -0.601 4.221 1.00 0.00 H new ATOM 899 N GLN A 70 123.977 -3.404 5.600 1.00 0.00 N ATOM 900 CA GLN A 70 123.000 -3.816 6.602 1.00 0.00 C ATOM 901 C GLN A 70 123.524 -4.984 7.437 1.00 0.00 C ATOM 902 O GLN A 70 122.772 -5.605 8.186 1.00 0.00 O ATOM 903 CB GLN A 70 121.684 -4.209 5.927 1.00 0.00 C ATOM 904 CG GLN A 70 120.531 -4.389 6.902 1.00 0.00 C ATOM 905 CD GLN A 70 119.310 -3.576 6.518 1.00 0.00 C ATOM 906 OE1 GLN A 70 118.197 -4.099 6.453 1.00 0.00 O ATOM 907 NE2 GLN A 70 119.512 -2.289 6.261 1.00 0.00 N ATOM 0 H GLN A 70 123.968 -3.963 4.747 1.00 0.00 H new ATOM 0 HA GLN A 70 122.825 -2.971 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 70 121.417 -3.444 5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.831 -5.138 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 70 120.261 -5.444 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 70 120.856 -4.099 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 70 120.451 -1.897 6.327 1.00 0.00 H new ATOM 0 HE22 GLN A 70 118.728 -1.692 5.998 1.00 0.00 H new ATOM 916 N VAL A 71 124.814 -5.282 7.297 1.00 0.00 N ATOM 917 CA VAL A 71 125.434 -6.380 8.032 1.00 0.00 C ATOM 918 C VAL A 71 126.341 -5.862 9.139 1.00 0.00 C ATOM 919 O VAL A 71 126.352 -6.402 10.243 1.00 0.00 O ATOM 920 CB VAL A 71 126.253 -7.276 7.085 1.00 0.00 C ATOM 921 CG1 VAL A 71 126.977 -8.374 7.854 1.00 0.00 C ATOM 922 CG2 VAL A 71 125.358 -7.869 6.007 1.00 0.00 C ATOM 0 H VAL A 71 125.450 -4.777 6.680 1.00 0.00 H new ATOM 0 HA VAL A 71 124.630 -6.964 8.480 1.00 0.00 H new ATOM 0 HB VAL A 71 127.009 -6.656 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 71 127.547 -8.990 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 71 127.655 -7.924 8.579 1.00 0.00 H new ATOM 0 HG13 VAL A 71 126.248 -8.994 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 71 125.953 -8.500 5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.575 -8.468 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.903 -7.065 5.429 1.00 0.00 H new ATOM 932 N LEU A 72 127.087 -4.805 8.848 1.00 0.00 N ATOM 933 CA LEU A 72 127.977 -4.219 9.832 1.00 0.00 C ATOM 934 C LEU A 72 127.261 -3.086 10.552 1.00 0.00 C ATOM 935 O LEU A 72 127.642 -2.689 11.652 1.00 0.00 O ATOM 936 CB LEU A 72 129.264 -3.717 9.169 1.00 0.00 C ATOM 937 CG LEU A 72 129.087 -3.045 7.804 1.00 0.00 C ATOM 938 CD1 LEU A 72 130.156 -1.984 7.587 1.00 0.00 C ATOM 939 CD2 LEU A 72 129.133 -4.081 6.689 1.00 0.00 C ATOM 0 H LEU A 72 127.091 -4.339 7.941 1.00 0.00 H new ATOM 0 HA LEU A 72 128.256 -4.981 10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 72 129.746 -3.009 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 72 129.945 -4.560 9.053 1.00 0.00 H new ATOM 0 HG LEU A 72 128.111 -2.560 7.785 1.00 0.00 H new ATOM 0 HD11 LEU A 72 130.014 -1.518 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 72 130.080 -1.226 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 72 131.142 -2.447 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 72 129.006 -3.586 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 72 130.094 -4.594 6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 72 128.332 -4.806 6.833 1.00 0.00 H new ATOM 951 N SER A 73 126.199 -2.586 9.925 1.00 0.00 N ATOM 952 CA SER A 73 125.399 -1.515 10.498 1.00 0.00 C ATOM 953 C SER A 73 124.471 -2.055 11.582 1.00 0.00 C ATOM 954 O SER A 73 123.962 -1.301 12.410 1.00 0.00 O ATOM 955 CB SER A 73 124.577 -0.830 9.408 1.00 0.00 C ATOM 956 OG SER A 73 123.831 0.253 9.935 1.00 0.00 O ATOM 0 H SER A 73 125.874 -2.910 9.014 1.00 0.00 H new ATOM 0 HA SER A 73 126.075 -0.788 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 73 125.240 -0.470 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 123.901 -1.552 8.950 1.00 0.00 H new ATOM 0 HG SER A 73 123.315 0.675 9.217 1.00 0.00 H new ATOM 962 N VAL A 74 124.247 -3.366 11.567 1.00 0.00 N ATOM 963 CA VAL A 74 123.370 -3.998 12.544 1.00 0.00 C ATOM 964 C VAL A 74 124.079 -5.094 13.335 1.00 0.00 C ATOM 965 O VAL A 74 123.599 -5.508 14.390 1.00 0.00 O ATOM 966 CB VAL A 74 122.144 -4.619 11.854 1.00 0.00 C ATOM 967 CG1 VAL A 74 121.134 -5.103 12.883 1.00 0.00 C ATOM 968 CG2 VAL A 74 121.506 -3.623 10.895 1.00 0.00 C ATOM 0 H VAL A 74 124.660 -4.008 10.891 1.00 0.00 H new ATOM 0 HA VAL A 74 123.062 -3.210 13.232 1.00 0.00 H new ATOM 0 HB VAL A 74 122.477 -5.481 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 74 120.275 -5.539 12.373 1.00 0.00 H new ATOM 0 HG12 VAL A 74 121.597 -5.856 13.521 1.00 0.00 H new ATOM 0 HG13 VAL A 74 120.805 -4.262 13.494 1.00 0.00 H new ATOM 0 HG21 VAL A 74 120.640 -4.082 10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 74 121.189 -2.738 11.447 1.00 0.00 H new ATOM 0 HG23 VAL A 74 122.231 -3.335 10.134 1.00 0.00 H new ATOM 978 N LEU A 75 125.203 -5.587 12.819 1.00 0.00 N ATOM 979 CA LEU A 75 125.931 -6.664 13.497 1.00 0.00 C ATOM 980 C LEU A 75 127.316 -6.238 13.982 1.00 0.00 C ATOM 981 O LEU A 75 127.925 -6.935 14.795 1.00 0.00 O ATOM 982 CB LEU A 75 126.060 -7.876 12.573 1.00 0.00 C ATOM 983 CG LEU A 75 124.814 -8.189 11.743 1.00 0.00 C ATOM 984 CD1 LEU A 75 125.124 -9.241 10.687 1.00 0.00 C ATOM 985 CD2 LEU A 75 123.679 -8.653 12.644 1.00 0.00 C ATOM 0 H LEU A 75 125.626 -5.266 11.948 1.00 0.00 H new ATOM 0 HA LEU A 75 125.348 -6.925 14.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 126.898 -7.710 11.896 1.00 0.00 H new ATOM 0 HB3 LEU A 75 126.306 -8.750 13.176 1.00 0.00 H new ATOM 0 HG LEU A 75 124.500 -7.277 11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 75 124.225 -9.450 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 75 125.906 -8.871 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 75 125.463 -10.156 11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 75 122.800 -8.872 12.038 1.00 0.00 H new ATOM 0 HD22 LEU A 75 123.984 -9.552 13.179 1.00 0.00 H new ATOM 0 HD23 LEU A 75 123.439 -7.868 13.361 1.00 0.00 H new ATOM 997 N LYS A 76 127.825 -5.112 13.492 1.00 0.00 N ATOM 998 CA LYS A 76 129.145 -4.647 13.904 1.00 0.00 C ATOM 999 C LYS A 76 129.045 -3.445 14.837 1.00 0.00 C ATOM 1000 O LYS A 76 130.036 -3.036 15.445 1.00 0.00 O ATOM 1001 CB LYS A 76 129.970 -4.281 12.675 1.00 0.00 C ATOM 1002 CG LYS A 76 130.999 -5.334 12.294 1.00 0.00 C ATOM 1003 CD LYS A 76 132.390 -4.954 12.778 1.00 0.00 C ATOM 1004 CE LYS A 76 133.383 -6.085 12.561 1.00 0.00 C ATOM 1005 NZ LYS A 76 134.737 -5.742 13.077 1.00 0.00 N ATOM 0 H LYS A 76 127.351 -4.511 12.818 1.00 0.00 H new ATOM 0 HA LYS A 76 129.634 -5.456 14.447 1.00 0.00 H new ATOM 0 HB2 LYS A 76 129.298 -4.120 11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 76 130.481 -3.336 12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 76 130.714 -6.295 12.722 1.00 0.00 H new ATOM 0 HG3 LYS A 76 131.011 -5.458 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 76 132.730 -4.063 12.249 1.00 0.00 H new ATOM 0 HD3 LYS A 76 132.351 -4.700 13.837 1.00 0.00 H new ATOM 0 HE2 LYS A 76 133.022 -6.985 13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 76 133.447 -6.313 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 135.384 -6.539 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 135.093 -4.898 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 134.681 -5.550 14.098 1.00 0.00 H new ATOM 1019 N GLY A 77 127.852 -2.873 14.935 1.00 0.00 N ATOM 1020 CA GLY A 77 127.655 -1.716 15.780 1.00 0.00 C ATOM 1021 C GLY A 77 127.395 -0.476 14.958 1.00 0.00 C ATOM 1022 O GLY A 77 127.941 0.592 15.234 1.00 0.00 O ATOM 0 H GLY A 77 127.017 -3.192 14.443 1.00 0.00 H new ATOM 0 HA2 GLY A 77 126.815 -1.892 16.452 1.00 0.00 H new ATOM 0 HA3 GLY A 77 128.536 -1.564 16.404 1.00 0.00 H new ATOM 1026 N GLU A 78 126.557 -0.626 13.938 1.00 0.00 N ATOM 1027 CA GLU A 78 126.217 0.478 13.061 1.00 0.00 C ATOM 1028 C GLU A 78 127.441 0.958 12.287 1.00 0.00 C ATOM 1029 O GLU A 78 127.806 2.132 12.353 1.00 0.00 O ATOM 1030 CB GLU A 78 125.622 1.616 13.882 1.00 0.00 C ATOM 1031 CG GLU A 78 124.646 2.485 13.108 1.00 0.00 C ATOM 1032 CD GLU A 78 124.113 3.641 13.933 1.00 0.00 C ATOM 1033 OE1 GLU A 78 123.657 3.399 15.069 1.00 0.00 O ATOM 1034 OE2 GLU A 78 124.154 4.788 13.441 1.00 0.00 O ATOM 0 H GLU A 78 126.101 -1.507 13.701 1.00 0.00 H new ATOM 0 HA GLU A 78 125.479 0.136 12.335 1.00 0.00 H new ATOM 0 HB2 GLU A 78 125.112 1.198 14.750 1.00 0.00 H new ATOM 0 HB3 GLU A 78 126.431 2.242 14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 78 125.140 2.876 12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 78 123.812 1.872 12.766 1.00 0.00 H new ATOM 1041 N GLU A 79 128.074 0.049 11.542 1.00 0.00 N ATOM 1042 CA GLU A 79 129.248 0.413 10.759 1.00 0.00 C ATOM 1043 C GLU A 79 128.888 0.593 9.288 1.00 0.00 C ATOM 1044 O GLU A 79 129.555 1.402 8.612 1.00 0.00 O ATOM 1045 CB GLU A 79 130.343 -0.645 10.905 1.00 0.00 C ATOM 1046 CG GLU A 79 131.744 -0.064 10.986 1.00 0.00 C ATOM 1047 CD GLU A 79 132.813 -1.136 11.080 1.00 0.00 C ATOM 1048 OE1 GLU A 79 132.622 -2.219 10.490 1.00 0.00 O ATOM 1049 OE2 GLU A 79 133.843 -0.890 11.743 1.00 0.00 O ATOM 0 H GLU A 79 127.796 -0.929 11.467 1.00 0.00 H new ATOM 0 HA GLU A 79 129.623 1.362 11.141 1.00 0.00 H new ATOM 0 HB2 GLU A 79 130.150 -1.233 11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 79 130.291 -1.329 10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 79 131.929 0.553 10.107 1.00 0.00 H new ATOM 0 HG3 GLU A 79 131.813 0.590 11.855 1.00 0.00 H new TER 1056 GLU A 79