USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.0429 X(o=-0.23,f=-0.69) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.269 K(o=-0.23,f=-1.1) USER MOD Set 2.1: A 19 GLN : amide:sc= 0.0357 K(o=0.67,f=-5.6!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -150:sc= 0.615 (180deg=0) USER MOD Set 2.3: A 33 THR OG1 : rot 140:sc= 0.0219 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc=8.22e-06 USER MOD Set 3.2: A 13 ASN : amide:sc= -0.219 K(o=-0.22,f=-3.1!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.853 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -63:sc= 0.268 USER MOD Single : A 17 SER OG : rot 72:sc= 1.05 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 26 TYR OH : rot 80:sc= -0.181 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.31 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.0015) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 1.06 (180deg=0.217) USER MOD Single : A 46 SER OG : rot 140:sc= 0 USER MOD Single : A 47 MET CE :methyl -176:sc= -3.26! (180deg=-3.41) USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0.825 (180deg=0.306) USER MOD Single : A 50 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ -122:sc= -0.708 (180deg=-2.29!) USER MOD Single : A 59 ASN : amide:sc= -0.417 K(o=-0.42,f=-3.2!) USER MOD Single : A 62 SER OG : rot -46:sc= 0.46 USER MOD Single : A 64 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.6!) USER MOD Single : A 70 GLN : amide:sc= -0.845 K(o=-0.84,f=-1.9!) USER MOD Single : A 71 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 0.51 (180deg=-0.491) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 169:sc= -0.0201 (180deg=-0.181) USER MOD Single : A 85 SER OG : rot 100:sc= 0.0466 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 88:sc= 0.867 USER MOD Single : A 93 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.109) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 2.657 10.464 0.640 1.00 2.30 N ATOM 28 CA LYS A 3 1.831 9.863 1.693 1.00 12.21 C ATOM 29 C LYS A 3 1.255 8.572 1.117 1.00 32.23 C ATOM 30 O LYS A 3 0.797 8.567 -0.026 1.00 74.22 O ATOM 31 CB LYS A 3 0.702 10.828 2.167 1.00 72.34 C ATOM 32 CG LYS A 3 -0.239 10.223 3.240 1.00 53.45 C ATOM 33 CD LYS A 3 -1.275 11.229 3.799 1.00 63.12 C ATOM 34 CE LYS A 3 -2.257 10.566 4.788 1.00 74.03 C ATOM 35 NZ LYS A 3 -3.220 11.540 5.377 1.00 41.34 N ATOM 0 HA LYS A 3 2.433 9.658 2.578 1.00 12.21 H new ATOM 0 HB2 LYS A 3 1.157 11.734 2.568 1.00 72.34 H new ATOM 0 HB3 LYS A 3 0.107 11.126 1.304 1.00 72.34 H new ATOM 0 HG2 LYS A 3 -0.768 9.373 2.809 1.00 53.45 H new ATOM 0 HG3 LYS A 3 0.363 9.840 4.064 1.00 53.45 H new ATOM 0 HD2 LYS A 3 -0.753 12.045 4.300 1.00 63.12 H new ATOM 0 HD3 LYS A 3 -1.835 11.668 2.973 1.00 63.12 H new ATOM 0 HE2 LYS A 3 -2.810 9.780 4.274 1.00 74.03 H new ATOM 0 HE3 LYS A 3 -1.693 10.088 5.589 1.00 74.03 H new ATOM 0 HZ1 LYS A 3 -3.857 11.045 6.034 1.00 41.34 H new ATOM 0 HZ2 LYS A 3 -2.697 12.277 5.892 1.00 41.34 H new ATOM 0 HZ3 LYS A 3 -3.779 11.978 4.617 1.00 41.34 H new ATOM 49 N VAL A 4 1.278 7.477 1.878 1.00 1.20 N ATOM 50 CA VAL A 4 0.934 6.159 1.321 1.00 42.31 C ATOM 51 C VAL A 4 0.147 5.305 2.322 1.00 12.11 C ATOM 52 O VAL A 4 0.370 5.387 3.524 1.00 74.43 O ATOM 53 CB VAL A 4 2.228 5.421 0.837 1.00 21.14 C ATOM 54 CG1 VAL A 4 3.181 5.105 2.005 1.00 11.33 C ATOM 55 CG2 VAL A 4 1.902 4.161 0.014 1.00 53.24 C ATOM 0 H VAL A 4 1.527 7.470 2.867 1.00 1.20 H new ATOM 0 HA VAL A 4 0.283 6.317 0.461 1.00 42.31 H new ATOM 0 HB VAL A 4 2.750 6.109 0.173 1.00 21.14 H new ATOM 0 HG11 VAL A 4 4.065 4.593 1.625 1.00 11.33 H new ATOM 0 HG12 VAL A 4 3.480 6.033 2.492 1.00 11.33 H new ATOM 0 HG13 VAL A 4 2.673 4.464 2.726 1.00 11.33 H new ATOM 0 HG21 VAL A 4 2.829 3.682 -0.300 1.00 53.24 H new ATOM 0 HG22 VAL A 4 1.324 3.467 0.624 1.00 53.24 H new ATOM 0 HG23 VAL A 4 1.322 4.441 -0.865 1.00 53.24 H new ATOM 65 N LEU A 5 -0.812 4.523 1.798 1.00 3.30 N ATOM 66 CA LEU A 5 -1.572 3.548 2.583 1.00 72.51 C ATOM 67 C LEU A 5 -0.907 2.176 2.425 1.00 72.31 C ATOM 68 O LEU A 5 -1.034 1.530 1.377 1.00 52.43 O ATOM 69 CB LEU A 5 -3.053 3.497 2.128 1.00 10.35 C ATOM 70 CG LEU A 5 -4.005 2.593 2.986 1.00 12.03 C ATOM 71 CD1 LEU A 5 -4.067 3.074 4.455 1.00 51.42 C ATOM 72 CD2 LEU A 5 -5.413 2.513 2.355 1.00 71.43 C ATOM 0 H LEU A 5 -1.079 4.553 0.814 1.00 3.30 H new ATOM 0 HA LEU A 5 -1.569 3.843 3.632 1.00 72.51 H new ATOM 0 HB2 LEU A 5 -3.449 4.513 2.131 1.00 10.35 H new ATOM 0 HB3 LEU A 5 -3.084 3.146 1.096 1.00 10.35 H new ATOM 0 HG LEU A 5 -3.590 1.585 2.993 1.00 12.03 H new ATOM 0 HD11 LEU A 5 -4.735 2.426 5.022 1.00 51.42 H new ATOM 0 HD12 LEU A 5 -3.069 3.038 4.892 1.00 51.42 H new ATOM 0 HD13 LEU A 5 -4.440 4.098 4.487 1.00 51.42 H new ATOM 0 HD21 LEU A 5 -6.052 1.880 2.971 1.00 71.43 H new ATOM 0 HD22 LEU A 5 -5.842 3.513 2.295 1.00 71.43 H new ATOM 0 HD23 LEU A 5 -5.339 2.089 1.353 1.00 71.43 H new ATOM 84 N LEU A 6 -0.144 1.780 3.449 1.00 40.34 N ATOM 85 CA LEU A 6 0.483 0.462 3.523 1.00 4.45 C ATOM 86 C LEU A 6 -0.596 -0.583 3.882 1.00 63.44 C ATOM 87 O LEU A 6 -0.907 -0.798 5.056 1.00 33.03 O ATOM 88 CB LEU A 6 1.634 0.498 4.573 1.00 12.01 C ATOM 89 CG LEU A 6 2.394 -0.843 4.841 1.00 30.01 C ATOM 90 CD1 LEU A 6 3.043 -1.407 3.556 1.00 73.03 C ATOM 91 CD2 LEU A 6 3.429 -0.671 5.980 1.00 1.10 C ATOM 0 H LEU A 6 0.056 2.372 4.255 1.00 40.34 H new ATOM 0 HA LEU A 6 0.919 0.184 2.564 1.00 4.45 H new ATOM 0 HB2 LEU A 6 2.363 1.242 4.251 1.00 12.01 H new ATOM 0 HB3 LEU A 6 1.219 0.847 5.519 1.00 12.01 H new ATOM 0 HG LEU A 6 1.659 -1.579 5.167 1.00 30.01 H new ATOM 0 HD11 LEU A 6 3.560 -2.338 3.788 1.00 73.03 H new ATOM 0 HD12 LEU A 6 2.270 -1.597 2.811 1.00 73.03 H new ATOM 0 HD13 LEU A 6 3.757 -0.684 3.162 1.00 73.03 H new ATOM 0 HD21 LEU A 6 3.945 -1.616 6.149 1.00 1.10 H new ATOM 0 HD22 LEU A 6 4.154 0.093 5.700 1.00 1.10 H new ATOM 0 HD23 LEU A 6 2.917 -0.369 6.894 1.00 1.10 H new ATOM 103 N VAL A 7 -1.196 -1.175 2.836 1.00 40.22 N ATOM 104 CA VAL A 7 -2.192 -2.248 2.960 1.00 4.43 C ATOM 105 C VAL A 7 -1.467 -3.592 3.084 1.00 42.51 C ATOM 106 O VAL A 7 -0.799 -4.029 2.142 1.00 74.41 O ATOM 107 CB VAL A 7 -3.164 -2.282 1.721 1.00 54.23 C ATOM 108 CG1 VAL A 7 -4.178 -3.454 1.819 1.00 53.35 C ATOM 109 CG2 VAL A 7 -3.890 -0.929 1.544 1.00 15.41 C ATOM 0 H VAL A 7 -0.999 -0.917 1.869 1.00 40.22 H new ATOM 0 HA VAL A 7 -2.793 -2.058 3.849 1.00 4.43 H new ATOM 0 HB VAL A 7 -2.554 -2.454 0.834 1.00 54.23 H new ATOM 0 HG11 VAL A 7 -4.831 -3.444 0.946 1.00 53.35 H new ATOM 0 HG12 VAL A 7 -3.638 -4.400 1.857 1.00 53.35 H new ATOM 0 HG13 VAL A 7 -4.778 -3.342 2.722 1.00 53.35 H new ATOM 0 HG21 VAL A 7 -4.554 -0.982 0.681 1.00 15.41 H new ATOM 0 HG22 VAL A 7 -4.474 -0.710 2.438 1.00 15.41 H new ATOM 0 HG23 VAL A 7 -3.155 -0.139 1.388 1.00 15.41 H new ATOM 119 N ILE A 8 -1.595 -4.227 4.257 1.00 54.45 N ATOM 120 CA ILE A 8 -0.946 -5.504 4.566 1.00 71.33 C ATOM 121 C ILE A 8 -2.007 -6.589 4.783 1.00 14.45 C ATOM 122 O ILE A 8 -2.981 -6.394 5.531 1.00 65.21 O ATOM 123 CB ILE A 8 -0.022 -5.401 5.835 1.00 14.02 C ATOM 124 CG1 ILE A 8 1.019 -4.248 5.677 1.00 13.21 C ATOM 125 CG2 ILE A 8 0.688 -6.754 6.130 1.00 43.21 C ATOM 126 CD1 ILE A 8 1.945 -4.055 6.867 1.00 1.34 C ATOM 0 H ILE A 8 -2.159 -3.863 5.025 1.00 54.45 H new ATOM 0 HA ILE A 8 -0.315 -5.768 3.717 1.00 71.33 H new ATOM 0 HB ILE A 8 -0.658 -5.168 6.689 1.00 14.02 H new ATOM 0 HG12 ILE A 8 1.624 -4.443 4.792 1.00 13.21 H new ATOM 0 HG13 ILE A 8 0.483 -3.316 5.497 1.00 13.21 H new ATOM 0 HG21 ILE A 8 1.319 -6.649 7.013 1.00 43.21 H new ATOM 0 HG22 ILE A 8 -0.060 -7.526 6.308 1.00 43.21 H new ATOM 0 HG23 ILE A 8 1.304 -7.036 5.276 1.00 43.21 H new ATOM 0 HD11 ILE A 8 2.632 -3.233 6.664 1.00 1.34 H new ATOM 0 HD12 ILE A 8 1.355 -3.824 7.754 1.00 1.34 H new ATOM 0 HD13 ILE A 8 2.514 -4.969 7.037 1.00 1.34 H new ATOM 138 N SER A 9 -1.799 -7.720 4.105 1.00 22.43 N ATOM 139 CA SER A 9 -2.605 -8.932 4.241 1.00 20.21 C ATOM 140 C SER A 9 -1.783 -10.116 3.716 1.00 62.31 C ATOM 141 O SER A 9 -0.880 -9.934 2.887 1.00 14.04 O ATOM 142 CB SER A 9 -3.937 -8.800 3.457 1.00 53.35 C ATOM 143 OG SER A 9 -4.727 -9.975 3.541 1.00 23.41 O ATOM 0 H SER A 9 -1.043 -7.819 3.427 1.00 22.43 H new ATOM 0 HA SER A 9 -2.860 -9.091 5.289 1.00 20.21 H new ATOM 0 HB2 SER A 9 -4.504 -7.955 3.847 1.00 53.35 H new ATOM 0 HB3 SER A 9 -3.721 -8.584 2.411 1.00 53.35 H new ATOM 0 HG SER A 9 -5.557 -9.848 3.035 1.00 23.41 H new ATOM 149 N THR A 10 -2.075 -11.318 4.221 1.00 34.12 N ATOM 150 CA THR A 10 -1.478 -12.563 3.712 1.00 44.43 C ATOM 151 C THR A 10 -2.304 -13.065 2.515 1.00 24.13 C ATOM 152 O THR A 10 -1.760 -13.593 1.536 1.00 11.34 O ATOM 153 CB THR A 10 -1.435 -13.648 4.832 1.00 5.43 C ATOM 154 OG1 THR A 10 -0.698 -13.142 5.961 1.00 2.33 O ATOM 155 CG2 THR A 10 -0.796 -14.969 4.352 1.00 2.13 C ATOM 0 H THR A 10 -2.729 -11.459 4.991 1.00 34.12 H new ATOM 0 HA THR A 10 -0.455 -12.366 3.392 1.00 44.43 H new ATOM 0 HB THR A 10 -2.465 -13.867 5.113 1.00 5.43 H new ATOM 0 HG1 THR A 10 -0.672 -13.822 6.666 1.00 2.33 H new ATOM 0 HG21 THR A 10 -0.791 -15.689 5.170 1.00 2.13 H new ATOM 0 HG22 THR A 10 -1.373 -15.370 3.519 1.00 2.13 H new ATOM 0 HG23 THR A 10 0.228 -14.781 4.028 1.00 2.13 H new ATOM 163 N ASP A 11 -3.625 -12.856 2.608 1.00 4.33 N ATOM 164 CA ASP A 11 -4.605 -13.328 1.626 1.00 73.45 C ATOM 165 C ASP A 11 -4.495 -12.546 0.313 1.00 25.42 C ATOM 166 O ASP A 11 -5.140 -11.513 0.139 1.00 34.44 O ATOM 167 CB ASP A 11 -6.028 -13.216 2.216 1.00 61.12 C ATOM 168 CG ASP A 11 -6.257 -14.154 3.404 1.00 3.53 C ATOM 169 OD1 ASP A 11 -5.828 -13.821 4.527 1.00 61.44 O ATOM 170 OD2 ASP A 11 -6.843 -15.243 3.215 1.00 73.31 O ATOM 0 H ASP A 11 -4.047 -12.345 3.383 1.00 4.33 H new ATOM 0 HA ASP A 11 -4.396 -14.374 1.400 1.00 73.45 H new ATOM 0 HB2 ASP A 11 -6.205 -12.188 2.532 1.00 61.12 H new ATOM 0 HB3 ASP A 11 -6.757 -13.440 1.437 1.00 61.12 H new ATOM 175 N THR A 12 -3.650 -13.056 -0.598 1.00 54.22 N ATOM 176 CA THR A 12 -3.408 -12.455 -1.922 1.00 53.13 C ATOM 177 C THR A 12 -4.672 -12.441 -2.798 1.00 1.24 C ATOM 178 O THR A 12 -4.769 -11.643 -3.724 1.00 64.40 O ATOM 179 CB THR A 12 -2.247 -13.197 -2.657 1.00 71.34 C ATOM 180 OG1 THR A 12 -2.486 -14.616 -2.628 1.00 24.25 O ATOM 181 CG2 THR A 12 -0.885 -12.881 -2.014 1.00 72.42 C ATOM 0 H THR A 12 -3.110 -13.906 -0.435 1.00 54.22 H new ATOM 0 HA THR A 12 -3.120 -11.417 -1.753 1.00 53.13 H new ATOM 0 HB THR A 12 -2.219 -12.850 -3.690 1.00 71.34 H new ATOM 0 HG1 THR A 12 -1.758 -15.080 -3.091 1.00 24.25 H new ATOM 0 HG21 THR A 12 -0.098 -13.413 -2.549 1.00 72.42 H new ATOM 0 HG22 THR A 12 -0.698 -11.808 -2.066 1.00 72.42 H new ATOM 0 HG23 THR A 12 -0.893 -13.198 -0.971 1.00 72.42 H new ATOM 189 N ASN A 13 -5.625 -13.340 -2.493 1.00 74.15 N ATOM 190 CA ASN A 13 -6.944 -13.373 -3.144 1.00 60.34 C ATOM 191 C ASN A 13 -7.730 -12.094 -2.808 1.00 63.13 C ATOM 192 O ASN A 13 -8.325 -11.472 -3.691 1.00 34.22 O ATOM 193 CB ASN A 13 -7.749 -14.622 -2.692 1.00 13.22 C ATOM 194 CG ASN A 13 -7.066 -15.959 -3.007 1.00 60.34 C ATOM 195 OD1 ASN A 13 -5.840 -16.057 -3.060 1.00 74.45 O ATOM 196 ND2 ASN A 13 -7.857 -17.000 -3.224 1.00 73.14 N ATOM 0 H ASN A 13 -5.500 -14.065 -1.786 1.00 74.15 H new ATOM 0 HA ASN A 13 -6.794 -13.429 -4.222 1.00 60.34 H new ATOM 0 HB2 ASN A 13 -7.922 -14.560 -1.618 1.00 13.22 H new ATOM 0 HB3 ASN A 13 -8.727 -14.604 -3.174 1.00 13.22 H new ATOM 0 HD21 ASN A 13 -7.453 -17.911 -3.441 1.00 73.14 H new ATOM 0 HD22 ASN A 13 -8.870 -16.890 -3.174 1.00 73.14 H new ATOM 203 N ILE A 14 -7.699 -11.715 -1.515 1.00 53.14 N ATOM 204 CA ILE A 14 -8.398 -10.528 -1.001 1.00 65.31 C ATOM 205 C ILE A 14 -7.704 -9.250 -1.506 1.00 11.45 C ATOM 206 O ILE A 14 -8.369 -8.337 -1.999 1.00 73.32 O ATOM 207 CB ILE A 14 -8.458 -10.536 0.573 1.00 12.35 C ATOM 208 CG1 ILE A 14 -9.132 -11.853 1.108 1.00 11.45 C ATOM 209 CG2 ILE A 14 -9.166 -9.273 1.121 1.00 23.43 C ATOM 210 CD1 ILE A 14 -10.506 -12.177 0.547 1.00 52.54 C ATOM 0 H ILE A 14 -7.186 -12.228 -0.798 1.00 53.14 H new ATOM 0 HA ILE A 14 -9.423 -10.548 -1.372 1.00 65.31 H new ATOM 0 HB ILE A 14 -7.433 -10.516 0.942 1.00 12.35 H new ATOM 0 HG12 ILE A 14 -8.468 -12.690 0.893 1.00 11.45 H new ATOM 0 HG13 ILE A 14 -9.213 -11.781 2.193 1.00 11.45 H new ATOM 0 HG21 ILE A 14 -9.189 -9.312 2.210 1.00 23.43 H new ATOM 0 HG22 ILE A 14 -8.623 -8.384 0.802 1.00 23.43 H new ATOM 0 HG23 ILE A 14 -10.186 -9.232 0.738 1.00 23.43 H new ATOM 0 HD11 ILE A 14 -10.869 -13.105 0.988 1.00 52.54 H new ATOM 0 HD12 ILE A 14 -11.196 -11.368 0.785 1.00 52.54 H new ATOM 0 HD13 ILE A 14 -10.440 -12.291 -0.535 1.00 52.54 H new ATOM 222 N ILE A 15 -6.359 -9.229 -1.386 1.00 62.32 N ATOM 223 CA ILE A 15 -5.495 -8.140 -1.890 1.00 25.25 C ATOM 224 C ILE A 15 -5.792 -7.851 -3.370 1.00 30.42 C ATOM 225 O ILE A 15 -5.968 -6.692 -3.754 1.00 45.20 O ATOM 226 CB ILE A 15 -3.973 -8.523 -1.732 1.00 53.22 C ATOM 227 CG1 ILE A 15 -3.602 -8.733 -0.235 1.00 2.34 C ATOM 228 CG2 ILE A 15 -3.041 -7.475 -2.388 1.00 54.21 C ATOM 229 CD1 ILE A 15 -2.224 -9.327 -0.010 1.00 25.01 C ATOM 0 H ILE A 15 -5.836 -9.977 -0.931 1.00 62.32 H new ATOM 0 HA ILE A 15 -5.706 -7.247 -1.301 1.00 25.25 H new ATOM 0 HB ILE A 15 -3.823 -9.466 -2.258 1.00 53.22 H new ATOM 0 HG12 ILE A 15 -3.660 -7.774 0.279 1.00 2.34 H new ATOM 0 HG13 ILE A 15 -4.345 -9.386 0.223 1.00 2.34 H new ATOM 0 HG21 ILE A 15 -2.002 -7.778 -2.256 1.00 54.21 H new ATOM 0 HG22 ILE A 15 -3.265 -7.404 -3.452 1.00 54.21 H new ATOM 0 HG23 ILE A 15 -3.198 -6.504 -1.919 1.00 54.21 H new ATOM 0 HD11 ILE A 15 -2.047 -9.440 1.060 1.00 25.01 H new ATOM 0 HD12 ILE A 15 -2.165 -10.303 -0.492 1.00 25.01 H new ATOM 0 HD13 ILE A 15 -1.469 -8.666 -0.435 1.00 25.01 H new ATOM 241 N SER A 16 -5.856 -8.940 -4.164 1.00 44.33 N ATOM 242 CA SER A 16 -6.157 -8.893 -5.596 1.00 33.20 C ATOM 243 C SER A 16 -7.525 -8.242 -5.830 1.00 73.33 C ATOM 244 O SER A 16 -7.605 -7.246 -6.546 1.00 45.53 O ATOM 245 CB SER A 16 -6.120 -10.319 -6.196 1.00 1.13 C ATOM 246 OG SER A 16 -6.358 -10.320 -7.595 1.00 70.11 O ATOM 0 H SER A 16 -5.697 -9.886 -3.817 1.00 44.33 H new ATOM 0 HA SER A 16 -5.400 -8.289 -6.096 1.00 33.20 H new ATOM 0 HB2 SER A 16 -5.149 -10.771 -5.994 1.00 1.13 H new ATOM 0 HB3 SER A 16 -6.868 -10.938 -5.702 1.00 1.13 H new ATOM 0 HG SER A 16 -7.260 -9.982 -7.774 1.00 70.11 H new ATOM 252 N SER A 17 -8.576 -8.790 -5.164 1.00 73.45 N ATOM 253 CA SER A 17 -9.976 -8.346 -5.333 1.00 30.14 C ATOM 254 C SER A 17 -10.116 -6.836 -5.104 1.00 52.03 C ATOM 255 O SER A 17 -10.572 -6.116 -5.991 1.00 5.24 O ATOM 256 CB SER A 17 -10.895 -9.129 -4.362 1.00 24.40 C ATOM 257 OG SER A 17 -10.812 -10.521 -4.598 1.00 5.30 O ATOM 0 H SER A 17 -8.471 -9.553 -4.495 1.00 73.45 H new ATOM 0 HA SER A 17 -10.279 -8.552 -6.360 1.00 30.14 H new ATOM 0 HB2 SER A 17 -10.610 -8.913 -3.332 1.00 24.40 H new ATOM 0 HB3 SER A 17 -11.926 -8.797 -4.484 1.00 24.40 H new ATOM 0 HG SER A 17 -9.946 -10.855 -4.284 1.00 5.30 H new ATOM 263 N VAL A 18 -9.650 -6.384 -3.926 1.00 73.32 N ATOM 264 CA VAL A 18 -9.716 -4.980 -3.486 1.00 4.41 C ATOM 265 C VAL A 18 -8.976 -4.047 -4.452 1.00 22.22 C ATOM 266 O VAL A 18 -9.492 -2.994 -4.825 1.00 1.45 O ATOM 267 CB VAL A 18 -9.104 -4.829 -2.049 1.00 54.45 C ATOM 268 CG1 VAL A 18 -9.057 -3.346 -1.609 1.00 0.55 C ATOM 269 CG2 VAL A 18 -9.885 -5.696 -1.031 1.00 0.24 C ATOM 0 H VAL A 18 -9.209 -6.997 -3.240 1.00 73.32 H new ATOM 0 HA VAL A 18 -10.768 -4.695 -3.471 1.00 4.41 H new ATOM 0 HB VAL A 18 -8.076 -5.189 -2.080 1.00 54.45 H new ATOM 0 HG11 VAL A 18 -8.628 -3.276 -0.609 1.00 0.55 H new ATOM 0 HG12 VAL A 18 -8.443 -2.778 -2.308 1.00 0.55 H new ATOM 0 HG13 VAL A 18 -10.067 -2.937 -1.599 1.00 0.55 H new ATOM 0 HG21 VAL A 18 -9.446 -5.578 -0.040 1.00 0.24 H new ATOM 0 HG22 VAL A 18 -10.927 -5.378 -1.006 1.00 0.24 H new ATOM 0 HG23 VAL A 18 -9.832 -6.743 -1.329 1.00 0.24 H new ATOM 279 N GLN A 19 -7.762 -4.461 -4.828 1.00 34.31 N ATOM 280 CA GLN A 19 -6.873 -3.689 -5.702 1.00 74.33 C ATOM 281 C GLN A 19 -7.507 -3.487 -7.092 1.00 5.42 C ATOM 282 O GLN A 19 -7.413 -2.404 -7.667 1.00 22.32 O ATOM 283 CB GLN A 19 -5.532 -4.431 -5.821 1.00 72.43 C ATOM 284 CG GLN A 19 -4.477 -3.737 -6.691 1.00 44.25 C ATOM 285 CD GLN A 19 -3.255 -4.601 -6.950 1.00 74.44 C ATOM 286 OE1 GLN A 19 -2.651 -4.520 -8.019 1.00 72.54 O ATOM 287 NE2 GLN A 19 -2.848 -5.404 -5.973 1.00 41.04 N ATOM 0 H GLN A 19 -7.364 -5.352 -4.531 1.00 34.31 H new ATOM 0 HA GLN A 19 -6.710 -2.701 -5.271 1.00 74.33 H new ATOM 0 HB2 GLN A 19 -5.121 -4.569 -4.821 1.00 72.43 H new ATOM 0 HB3 GLN A 19 -5.720 -5.424 -6.228 1.00 72.43 H new ATOM 0 HG2 GLN A 19 -4.927 -3.459 -7.644 1.00 44.25 H new ATOM 0 HG3 GLN A 19 -4.165 -2.813 -6.205 1.00 44.25 H new ATOM 0 HE21 GLN A 19 -3.371 -5.449 -5.098 1.00 41.04 H new ATOM 0 HE22 GLN A 19 -2.013 -5.976 -6.098 1.00 41.04 H new ATOM 296 N GLU A 20 -8.163 -4.547 -7.602 1.00 71.23 N ATOM 297 CA GLU A 20 -8.861 -4.524 -8.897 1.00 3.43 C ATOM 298 C GLU A 20 -10.097 -3.623 -8.820 1.00 25.33 C ATOM 299 O GLU A 20 -10.387 -2.898 -9.769 1.00 21.21 O ATOM 300 CB GLU A 20 -9.251 -5.960 -9.327 1.00 53.52 C ATOM 301 CG GLU A 20 -8.042 -6.876 -9.605 1.00 41.02 C ATOM 302 CD GLU A 20 -8.450 -8.329 -9.868 1.00 44.21 C ATOM 303 OE1 GLU A 20 -8.765 -9.049 -8.900 1.00 60.52 O ATOM 304 OE2 GLU A 20 -8.483 -8.757 -11.038 1.00 3.03 O ATOM 0 H GLU A 20 -8.223 -5.446 -7.124 1.00 71.23 H new ATOM 0 HA GLU A 20 -8.187 -4.115 -9.650 1.00 3.43 H new ATOM 0 HB2 GLU A 20 -9.864 -6.410 -8.546 1.00 53.52 H new ATOM 0 HB3 GLU A 20 -9.868 -5.906 -10.224 1.00 53.52 H new ATOM 0 HG2 GLU A 20 -7.493 -6.495 -10.466 1.00 41.02 H new ATOM 0 HG3 GLU A 20 -7.362 -6.842 -8.754 1.00 41.02 H new ATOM 311 N ARG A 21 -10.818 -3.671 -7.676 1.00 31.50 N ATOM 312 CA ARG A 21 -11.983 -2.790 -7.421 1.00 43.35 C ATOM 313 C ARG A 21 -11.527 -1.324 -7.374 1.00 53.45 C ATOM 314 O ARG A 21 -12.213 -0.443 -7.872 1.00 53.32 O ATOM 315 CB ARG A 21 -12.711 -3.158 -6.093 1.00 64.14 C ATOM 316 CG ARG A 21 -13.300 -4.585 -6.041 1.00 63.54 C ATOM 317 CD ARG A 21 -14.274 -4.894 -7.193 1.00 24.24 C ATOM 318 NE ARG A 21 -14.816 -6.259 -7.091 1.00 21.41 N ATOM 319 CZ ARG A 21 -14.399 -7.324 -7.800 1.00 51.53 C ATOM 320 NH1 ARG A 21 -13.417 -7.209 -8.699 1.00 62.44 N ATOM 321 NH2 ARG A 21 -14.976 -8.497 -7.609 1.00 51.23 N ATOM 0 H ARG A 21 -10.612 -4.314 -6.911 1.00 31.50 H new ATOM 0 HA ARG A 21 -12.690 -2.933 -8.238 1.00 43.35 H new ATOM 0 HB2 ARG A 21 -12.009 -3.042 -5.268 1.00 64.14 H new ATOM 0 HB3 ARG A 21 -13.517 -2.443 -5.929 1.00 64.14 H new ATOM 0 HG2 ARG A 21 -12.484 -5.307 -6.064 1.00 63.54 H new ATOM 0 HG3 ARG A 21 -13.819 -4.720 -5.092 1.00 63.54 H new ATOM 0 HD2 ARG A 21 -15.093 -4.175 -7.181 1.00 24.24 H new ATOM 0 HD3 ARG A 21 -13.760 -4.776 -8.147 1.00 24.24 H new ATOM 0 HE ARG A 21 -15.574 -6.411 -6.425 1.00 21.41 H new ATOM 0 HH11 ARG A 21 -12.972 -6.305 -8.856 1.00 62.44 H new ATOM 0 HH12 ARG A 21 -13.112 -8.026 -9.229 1.00 62.44 H new ATOM 0 HH21 ARG A 21 -15.731 -8.589 -6.929 1.00 51.23 H new ATOM 0 HH22 ARG A 21 -14.667 -9.310 -8.142 1.00 51.23 H new ATOM 335 N ALA A 22 -10.342 -1.104 -6.793 1.00 22.21 N ATOM 336 CA ALA A 22 -9.762 0.226 -6.602 1.00 73.43 C ATOM 337 C ALA A 22 -9.369 0.860 -7.955 1.00 3.24 C ATOM 338 O ALA A 22 -9.808 1.956 -8.277 1.00 13.10 O ATOM 339 CB ALA A 22 -8.559 0.122 -5.647 1.00 41.45 C ATOM 0 H ALA A 22 -9.752 -1.857 -6.438 1.00 22.21 H new ATOM 0 HA ALA A 22 -10.506 0.884 -6.153 1.00 73.43 H new ATOM 0 HB1 ALA A 22 -8.123 1.111 -5.502 1.00 41.45 H new ATOM 0 HB2 ALA A 22 -8.890 -0.274 -4.687 1.00 41.45 H new ATOM 0 HB3 ALA A 22 -7.811 -0.545 -6.076 1.00 41.45 H new ATOM 345 N LYS A 23 -8.581 0.130 -8.759 1.00 31.44 N ATOM 346 CA LYS A 23 -8.026 0.652 -10.030 1.00 23.31 C ATOM 347 C LYS A 23 -9.092 0.741 -11.146 1.00 13.14 C ATOM 348 O LYS A 23 -9.007 1.613 -12.021 1.00 62.52 O ATOM 349 CB LYS A 23 -6.842 -0.236 -10.491 1.00 41.15 C ATOM 350 CG LYS A 23 -5.671 -0.300 -9.484 1.00 15.21 C ATOM 351 CD LYS A 23 -4.504 -1.193 -9.970 1.00 40.32 C ATOM 352 CE LYS A 23 -4.927 -2.655 -10.204 1.00 53.11 C ATOM 353 NZ LYS A 23 -3.785 -3.510 -10.609 1.00 13.15 N ATOM 0 H LYS A 23 -8.309 -0.831 -8.554 1.00 31.44 H new ATOM 0 HA LYS A 23 -7.675 1.666 -9.841 1.00 23.31 H new ATOM 0 HB2 LYS A 23 -7.208 -1.247 -10.670 1.00 41.15 H new ATOM 0 HB3 LYS A 23 -6.468 0.141 -11.443 1.00 41.15 H new ATOM 0 HG2 LYS A 23 -5.299 0.708 -9.303 1.00 15.21 H new ATOM 0 HG3 LYS A 23 -6.039 -0.679 -8.531 1.00 15.21 H new ATOM 0 HD2 LYS A 23 -4.101 -0.784 -10.896 1.00 40.32 H new ATOM 0 HD3 LYS A 23 -3.701 -1.166 -9.234 1.00 40.32 H new ATOM 0 HE2 LYS A 23 -5.372 -3.053 -9.292 1.00 53.11 H new ATOM 0 HE3 LYS A 23 -5.696 -2.690 -10.975 1.00 53.11 H new ATOM 0 HZ1 LYS A 23 -4.127 -4.279 -11.220 1.00 13.15 H new ATOM 0 HZ2 LYS A 23 -3.090 -2.937 -11.130 1.00 13.15 H new ATOM 0 HZ3 LYS A 23 -3.336 -3.914 -9.762 1.00 13.15 H new ATOM 367 N HIS A 24 -10.087 -0.172 -11.112 1.00 15.41 N ATOM 368 CA HIS A 24 -11.135 -0.244 -12.152 1.00 54.23 C ATOM 369 C HIS A 24 -12.249 0.778 -11.861 1.00 54.14 C ATOM 370 O HIS A 24 -12.611 1.573 -12.733 1.00 32.20 O ATOM 371 CB HIS A 24 -11.711 -1.681 -12.255 1.00 52.54 C ATOM 372 CG HIS A 24 -12.606 -1.930 -13.447 1.00 63.31 C ATOM 373 ND1 HIS A 24 -12.152 -2.517 -14.607 1.00 62.43 N ATOM 374 CD2 HIS A 24 -13.925 -1.693 -13.648 1.00 73.33 C ATOM 375 CE1 HIS A 24 -13.147 -2.639 -15.457 1.00 70.11 C ATOM 376 NE2 HIS A 24 -14.239 -2.143 -14.902 1.00 53.25 N ATOM 0 H HIS A 24 -10.186 -0.870 -10.375 1.00 15.41 H new ATOM 0 HA HIS A 24 -10.686 0.005 -13.114 1.00 54.23 H new ATOM 0 HB2 HIS A 24 -10.881 -2.387 -12.290 1.00 52.54 H new ATOM 0 HB3 HIS A 24 -12.274 -1.896 -11.347 1.00 52.54 H new ATOM 0 HD2 HIS A 24 -14.605 -1.233 -12.946 1.00 73.33 H new ATOM 0 HE1 HIS A 24 -13.083 -3.072 -16.444 1.00 70.11 H new ATOM 0 HE2 HIS A 24 -15.161 -2.102 -15.336 1.00 53.25 H new ATOM 385 N ASN A 25 -12.781 0.750 -10.618 1.00 3.20 N ATOM 386 CA ASN A 25 -13.896 1.636 -10.204 1.00 12.03 C ATOM 387 C ASN A 25 -13.406 3.083 -10.017 1.00 60.10 C ATOM 388 O ASN A 25 -14.199 4.026 -10.107 1.00 0.51 O ATOM 389 CB ASN A 25 -14.575 1.107 -8.911 1.00 30.42 C ATOM 390 CG ASN A 25 -15.794 1.915 -8.429 1.00 72.13 C ATOM 391 OD1 ASN A 25 -16.024 2.037 -7.225 1.00 2.44 O ATOM 392 ND2 ASN A 25 -16.614 2.415 -9.350 1.00 12.22 N ATOM 0 H ASN A 25 -12.456 0.123 -9.882 1.00 3.20 H new ATOM 0 HA ASN A 25 -14.642 1.633 -10.999 1.00 12.03 H new ATOM 0 HB2 ASN A 25 -14.887 0.076 -9.080 1.00 30.42 H new ATOM 0 HB3 ASN A 25 -13.833 1.089 -8.112 1.00 30.42 H new ATOM 0 HD21 ASN A 25 -17.457 2.914 -9.065 1.00 12.22 H new ATOM 0 HD22 ASN A 25 -16.399 2.300 -10.340 1.00 12.22 H new ATOM 399 N TYR A 26 -12.095 3.258 -9.758 1.00 63.11 N ATOM 400 CA TYR A 26 -11.451 4.590 -9.747 1.00 70.33 C ATOM 401 C TYR A 26 -10.381 4.632 -10.865 1.00 21.11 C ATOM 402 O TYR A 26 -9.201 4.349 -10.608 1.00 4.33 O ATOM 403 CB TYR A 26 -10.841 4.891 -8.351 1.00 22.11 C ATOM 404 CG TYR A 26 -11.812 4.682 -7.185 1.00 30.10 C ATOM 405 CD1 TYR A 26 -12.868 5.566 -6.964 1.00 0.33 C ATOM 406 CD2 TYR A 26 -11.688 3.588 -6.318 1.00 12.42 C ATOM 407 CE1 TYR A 26 -13.757 5.367 -5.931 1.00 2.04 C ATOM 408 CE2 TYR A 26 -12.574 3.393 -5.280 1.00 74.54 C ATOM 409 CZ TYR A 26 -13.604 4.282 -5.096 1.00 74.13 C ATOM 410 OH TYR A 26 -14.497 4.080 -4.087 1.00 42.25 O ATOM 0 H TYR A 26 -11.457 2.489 -9.552 1.00 63.11 H new ATOM 0 HA TYR A 26 -12.192 5.366 -9.940 1.00 70.33 H new ATOM 0 HB2 TYR A 26 -9.969 4.254 -8.202 1.00 22.11 H new ATOM 0 HB3 TYR A 26 -10.488 5.922 -8.335 1.00 22.11 H new ATOM 0 HD1 TYR A 26 -12.991 6.420 -7.613 1.00 0.33 H new ATOM 0 HD2 TYR A 26 -10.883 2.884 -6.466 1.00 12.42 H new ATOM 0 HE1 TYR A 26 -14.571 6.059 -5.776 1.00 2.04 H new ATOM 0 HE2 TYR A 26 -12.459 2.548 -4.617 1.00 74.54 H new ATOM 0 HH TYR A 26 -15.308 3.663 -4.446 1.00 42.25 H new ATOM 420 N PRO A 27 -10.797 4.925 -12.154 1.00 73.43 N ATOM 421 CA PRO A 27 -9.876 4.965 -13.319 1.00 13.40 C ATOM 422 C PRO A 27 -8.802 6.062 -13.191 1.00 71.53 C ATOM 423 O PRO A 27 -9.096 7.180 -12.744 1.00 32.24 O ATOM 424 CB PRO A 27 -10.816 5.244 -14.528 1.00 43.21 C ATOM 425 CG PRO A 27 -12.185 4.869 -14.048 1.00 23.23 C ATOM 426 CD PRO A 27 -12.196 5.223 -12.580 1.00 75.51 C ATOM 0 HA PRO A 27 -9.311 4.038 -13.416 1.00 13.40 H new ATOM 0 HB2 PRO A 27 -10.775 6.292 -14.826 1.00 43.21 H new ATOM 0 HB3 PRO A 27 -10.527 4.654 -15.397 1.00 43.21 H new ATOM 0 HG2 PRO A 27 -12.957 5.415 -14.591 1.00 23.23 H new ATOM 0 HG3 PRO A 27 -12.379 3.807 -14.199 1.00 23.23 H new ATOM 0 HD2 PRO A 27 -12.453 6.270 -12.419 1.00 75.51 H new ATOM 0 HD3 PRO A 27 -12.922 4.628 -12.026 1.00 75.51 H new ATOM 434 N GLY A 28 -7.555 5.718 -13.569 1.00 33.21 N ATOM 435 CA GLY A 28 -6.450 6.679 -13.596 1.00 62.33 C ATOM 436 C GLY A 28 -5.851 6.973 -12.222 1.00 41.14 C ATOM 437 O GLY A 28 -4.951 7.815 -12.118 1.00 72.32 O ATOM 0 H GLY A 28 -7.294 4.776 -13.860 1.00 33.21 H new ATOM 0 HA2 GLY A 28 -5.665 6.297 -14.249 1.00 62.33 H new ATOM 0 HA3 GLY A 28 -6.804 7.612 -14.034 1.00 62.33 H new ATOM 441 N ARG A 29 -6.356 6.303 -11.164 1.00 3.53 N ATOM 442 CA ARG A 29 -5.781 6.415 -9.817 1.00 35.42 C ATOM 443 C ARG A 29 -4.506 5.577 -9.744 1.00 63.21 C ATOM 444 O ARG A 29 -4.550 4.352 -9.911 1.00 13.22 O ATOM 445 CB ARG A 29 -6.787 5.970 -8.727 1.00 34.54 C ATOM 446 CG ARG A 29 -7.986 6.917 -8.545 1.00 2.20 C ATOM 447 CD ARG A 29 -7.581 8.331 -8.094 1.00 14.01 C ATOM 448 NE ARG A 29 -8.762 9.187 -7.892 1.00 71.32 N ATOM 449 CZ ARG A 29 -8.829 10.507 -8.123 1.00 41.13 C ATOM 450 NH1 ARG A 29 -7.777 11.189 -8.578 1.00 74.34 N ATOM 451 NH2 ARG A 29 -9.968 11.140 -7.901 1.00 53.42 N ATOM 0 H ARG A 29 -7.161 5.680 -11.223 1.00 3.53 H new ATOM 0 HA ARG A 29 -5.544 7.462 -9.627 1.00 35.42 H new ATOM 0 HB2 ARG A 29 -7.159 4.976 -8.977 1.00 34.54 H new ATOM 0 HB3 ARG A 29 -6.260 5.884 -7.777 1.00 34.54 H new ATOM 0 HG2 ARG A 29 -8.532 6.986 -9.486 1.00 2.20 H new ATOM 0 HG3 ARG A 29 -8.669 6.490 -7.810 1.00 2.20 H new ATOM 0 HD2 ARG A 29 -7.011 8.270 -7.167 1.00 14.01 H new ATOM 0 HD3 ARG A 29 -6.927 8.780 -8.842 1.00 14.01 H new ATOM 0 HE ARG A 29 -9.607 8.735 -7.544 1.00 71.32 H new ATOM 0 HH11 ARG A 29 -6.896 10.707 -8.758 1.00 74.34 H new ATOM 0 HH12 ARG A 29 -7.853 12.192 -8.746 1.00 74.34 H new ATOM 0 HH21 ARG A 29 -10.779 10.625 -7.559 1.00 53.42 H new ATOM 0 HH22 ARG A 29 -10.035 12.143 -8.072 1.00 53.42 H new ATOM 465 N GLU A 30 -3.377 6.268 -9.546 1.00 31.33 N ATOM 466 CA GLU A 30 -2.064 5.645 -9.393 1.00 12.53 C ATOM 467 C GLU A 30 -2.045 4.840 -8.083 1.00 23.33 C ATOM 468 O GLU A 30 -2.232 5.401 -6.995 1.00 30.32 O ATOM 469 CB GLU A 30 -0.973 6.747 -9.400 1.00 53.24 C ATOM 470 CG GLU A 30 -0.962 7.643 -10.658 1.00 73.41 C ATOM 471 CD GLU A 30 -0.482 6.920 -11.929 1.00 73.11 C ATOM 472 OE1 GLU A 30 -1.314 6.303 -12.640 1.00 23.43 O ATOM 473 OE2 GLU A 30 0.730 6.971 -12.233 1.00 33.33 O ATOM 0 H GLU A 30 -3.353 7.286 -9.487 1.00 31.33 H new ATOM 0 HA GLU A 30 -1.861 4.963 -10.219 1.00 12.53 H new ATOM 0 HB2 GLU A 30 -1.110 7.379 -8.523 1.00 53.24 H new ATOM 0 HB3 GLU A 30 0.003 6.272 -9.301 1.00 53.24 H new ATOM 0 HG2 GLU A 30 -1.968 8.028 -10.828 1.00 73.41 H new ATOM 0 HG3 GLU A 30 -0.318 8.503 -10.475 1.00 73.41 H new ATOM 480 N ILE A 31 -1.905 3.516 -8.211 1.00 74.51 N ATOM 481 CA ILE A 31 -1.895 2.568 -7.084 1.00 4.23 C ATOM 482 C ILE A 31 -0.728 1.584 -7.288 1.00 0.00 C ATOM 483 O ILE A 31 -0.466 1.159 -8.417 1.00 74.34 O ATOM 484 CB ILE A 31 -3.275 1.798 -6.990 1.00 22.52 C ATOM 485 CG1 ILE A 31 -4.435 2.802 -6.672 1.00 43.52 C ATOM 486 CG2 ILE A 31 -3.226 0.649 -5.958 1.00 23.03 C ATOM 487 CD1 ILE A 31 -5.820 2.195 -6.610 1.00 61.11 C ATOM 0 H ILE A 31 -1.793 3.061 -9.117 1.00 74.51 H new ATOM 0 HA ILE A 31 -1.760 3.107 -6.146 1.00 4.23 H new ATOM 0 HB ILE A 31 -3.470 1.340 -7.960 1.00 22.52 H new ATOM 0 HG12 ILE A 31 -4.225 3.283 -5.717 1.00 43.52 H new ATOM 0 HG13 ILE A 31 -4.433 3.585 -7.431 1.00 43.52 H new ATOM 0 HG21 ILE A 31 -4.193 0.147 -5.926 1.00 23.03 H new ATOM 0 HG22 ILE A 31 -2.456 -0.066 -6.246 1.00 23.03 H new ATOM 0 HG23 ILE A 31 -2.994 1.054 -4.973 1.00 23.03 H new ATOM 0 HD11 ILE A 31 -6.549 2.974 -6.384 1.00 61.11 H new ATOM 0 HD12 ILE A 31 -6.061 1.740 -7.571 1.00 61.11 H new ATOM 0 HD13 ILE A 31 -5.849 1.434 -5.830 1.00 61.11 H new ATOM 499 N ARG A 32 -0.033 1.232 -6.189 1.00 50.55 N ATOM 500 CA ARG A 32 1.143 0.333 -6.213 1.00 34.34 C ATOM 501 C ARG A 32 0.821 -1.020 -5.574 1.00 64.10 C ATOM 502 O ARG A 32 -0.192 -1.183 -4.888 1.00 61.15 O ATOM 503 CB ARG A 32 2.337 0.996 -5.480 1.00 10.13 C ATOM 504 CG ARG A 32 2.965 2.188 -6.230 1.00 5.24 C ATOM 505 CD ARG A 32 3.574 1.795 -7.593 1.00 54.10 C ATOM 506 NE ARG A 32 4.289 2.924 -8.224 1.00 13.21 N ATOM 507 CZ ARG A 32 5.581 2.914 -8.605 1.00 64.33 C ATOM 508 NH1 ARG A 32 6.341 1.835 -8.418 1.00 43.25 N ATOM 509 NH2 ARG A 32 6.103 3.987 -9.171 1.00 24.40 N ATOM 0 H ARG A 32 -0.271 1.563 -5.254 1.00 50.55 H new ATOM 0 HA ARG A 32 1.412 0.159 -7.255 1.00 34.34 H new ATOM 0 HB2 ARG A 32 2.002 1.335 -4.500 1.00 10.13 H new ATOM 0 HB3 ARG A 32 3.107 0.243 -5.311 1.00 10.13 H new ATOM 0 HG2 ARG A 32 2.204 2.953 -6.386 1.00 5.24 H new ATOM 0 HG3 ARG A 32 3.741 2.633 -5.607 1.00 5.24 H new ATOM 0 HD2 ARG A 32 4.262 0.961 -7.456 1.00 54.10 H new ATOM 0 HD3 ARG A 32 2.783 1.450 -8.258 1.00 54.10 H new ATOM 0 HE ARG A 32 3.761 3.782 -8.384 1.00 13.21 H new ATOM 0 HH11 ARG A 32 5.946 1.002 -7.981 1.00 43.25 H new ATOM 0 HH12 ARG A 32 7.318 1.842 -8.712 1.00 43.25 H new ATOM 0 HH21 ARG A 32 5.528 4.817 -9.317 1.00 24.40 H new ATOM 0 HH22 ARG A 32 7.081 3.986 -9.462 1.00 24.40 H new ATOM 523 N THR A 33 1.718 -1.983 -5.821 1.00 53.52 N ATOM 524 CA THR A 33 1.619 -3.349 -5.299 1.00 43.00 C ATOM 525 C THR A 33 3.040 -3.890 -5.064 1.00 62.04 C ATOM 526 O THR A 33 3.814 -4.029 -6.021 1.00 21.23 O ATOM 527 CB THR A 33 0.858 -4.280 -6.300 1.00 22.12 C ATOM 528 OG1 THR A 33 -0.364 -3.656 -6.688 1.00 24.21 O ATOM 529 CG2 THR A 33 0.550 -5.660 -5.700 1.00 43.12 C ATOM 0 H THR A 33 2.545 -1.831 -6.398 1.00 53.52 H new ATOM 0 HA THR A 33 1.059 -3.333 -4.364 1.00 43.00 H new ATOM 0 HB THR A 33 1.507 -4.433 -7.162 1.00 22.12 H new ATOM 0 HG1 THR A 33 -0.518 -3.805 -7.644 1.00 24.21 H new ATOM 0 HG21 THR A 33 0.021 -6.267 -6.435 1.00 43.12 H new ATOM 0 HG22 THR A 33 1.482 -6.153 -5.425 1.00 43.12 H new ATOM 0 HG23 THR A 33 -0.073 -5.540 -4.813 1.00 43.12 H new ATOM 537 N ALA A 34 3.386 -4.171 -3.796 1.00 64.51 N ATOM 538 CA ALA A 34 4.730 -4.633 -3.415 1.00 22.43 C ATOM 539 C ALA A 34 4.743 -6.138 -3.114 1.00 41.23 C ATOM 540 O ALA A 34 4.102 -6.594 -2.168 1.00 10.32 O ATOM 541 CB ALA A 34 5.249 -3.832 -2.213 1.00 63.32 C ATOM 0 H ALA A 34 2.743 -4.084 -3.009 1.00 64.51 H new ATOM 0 HA ALA A 34 5.396 -4.463 -4.261 1.00 22.43 H new ATOM 0 HB1 ALA A 34 6.244 -4.185 -1.943 1.00 63.32 H new ATOM 0 HB2 ALA A 34 5.298 -2.775 -2.474 1.00 63.32 H new ATOM 0 HB3 ALA A 34 4.574 -3.966 -1.368 1.00 63.32 H new ATOM 547 N THR A 35 5.471 -6.908 -3.933 1.00 0.45 N ATOM 548 CA THR A 35 5.724 -8.332 -3.679 1.00 65.41 C ATOM 549 C THR A 35 6.779 -8.488 -2.566 1.00 11.04 C ATOM 550 O THR A 35 6.584 -9.256 -1.611 1.00 74.22 O ATOM 551 CB THR A 35 6.206 -9.042 -4.985 1.00 52.34 C ATOM 552 OG1 THR A 35 5.166 -8.984 -5.971 1.00 73.51 O ATOM 553 CG2 THR A 35 6.619 -10.509 -4.764 1.00 5.31 C ATOM 0 H THR A 35 5.901 -6.561 -4.790 1.00 0.45 H new ATOM 0 HA THR A 35 4.795 -8.801 -3.354 1.00 65.41 H new ATOM 0 HB THR A 35 7.095 -8.510 -5.324 1.00 52.34 H new ATOM 0 HG1 THR A 35 5.468 -9.427 -6.791 1.00 73.51 H new ATOM 0 HG21 THR A 35 6.943 -10.942 -5.710 1.00 5.31 H new ATOM 0 HG22 THR A 35 7.438 -10.552 -4.046 1.00 5.31 H new ATOM 0 HG23 THR A 35 5.769 -11.072 -4.379 1.00 5.31 H new ATOM 561 N SER A 36 7.880 -7.727 -2.697 1.00 25.02 N ATOM 562 CA SER A 36 9.034 -7.819 -1.785 1.00 13.11 C ATOM 563 C SER A 36 9.809 -6.474 -1.772 1.00 22.44 C ATOM 564 O SER A 36 9.345 -5.479 -2.355 1.00 12.13 O ATOM 565 CB SER A 36 9.927 -9.028 -2.203 1.00 61.35 C ATOM 566 OG SER A 36 10.964 -9.293 -1.265 1.00 14.55 O ATOM 0 H SER A 36 7.995 -7.033 -3.436 1.00 25.02 H new ATOM 0 HA SER A 36 8.698 -7.998 -0.764 1.00 13.11 H new ATOM 0 HB2 SER A 36 9.303 -9.916 -2.310 1.00 61.35 H new ATOM 0 HB3 SER A 36 10.368 -8.829 -3.180 1.00 61.35 H new ATOM 0 HG SER A 36 11.494 -10.059 -1.571 1.00 14.55 H new ATOM 572 N SER A 37 10.987 -6.466 -1.099 1.00 72.13 N ATOM 573 CA SER A 37 11.786 -5.260 -0.788 1.00 11.31 C ATOM 574 C SER A 37 12.206 -4.448 -2.034 1.00 55.12 C ATOM 575 O SER A 37 12.456 -3.248 -1.920 1.00 65.14 O ATOM 576 CB SER A 37 13.036 -5.656 0.035 1.00 52.30 C ATOM 577 OG SER A 37 13.855 -6.562 -0.686 1.00 63.33 O ATOM 0 H SER A 37 11.416 -7.323 -0.750 1.00 72.13 H new ATOM 0 HA SER A 37 11.138 -4.605 -0.206 1.00 11.31 H new ATOM 0 HB2 SER A 37 13.609 -4.763 0.285 1.00 52.30 H new ATOM 0 HB3 SER A 37 12.727 -6.110 0.976 1.00 52.30 H new ATOM 0 HG SER A 37 14.639 -6.796 -0.146 1.00 63.33 H new ATOM 583 N GLN A 38 12.283 -5.115 -3.202 1.00 63.04 N ATOM 584 CA GLN A 38 12.603 -4.468 -4.487 1.00 73.42 C ATOM 585 C GLN A 38 11.562 -3.376 -4.798 1.00 23.34 C ATOM 586 O GLN A 38 11.911 -2.220 -5.093 1.00 43.44 O ATOM 587 CB GLN A 38 12.643 -5.531 -5.627 1.00 43.24 C ATOM 588 CG GLN A 38 12.904 -4.968 -7.045 1.00 43.45 C ATOM 589 CD GLN A 38 14.195 -4.131 -7.188 1.00 53.23 C ATOM 590 OE1 GLN A 38 14.251 -3.208 -7.995 1.00 32.40 O ATOM 591 NE2 GLN A 38 15.240 -4.456 -6.437 1.00 65.05 N ATOM 0 H GLN A 38 12.125 -6.120 -3.280 1.00 63.04 H new ATOM 0 HA GLN A 38 13.586 -4.001 -4.418 1.00 73.42 H new ATOM 0 HB2 GLN A 38 13.419 -6.260 -5.395 1.00 43.24 H new ATOM 0 HB3 GLN A 38 11.694 -6.067 -5.635 1.00 43.24 H new ATOM 0 HG2 GLN A 38 12.949 -5.800 -7.747 1.00 43.45 H new ATOM 0 HG3 GLN A 38 12.054 -4.350 -7.336 1.00 43.45 H new ATOM 0 HE21 GLN A 38 15.171 -5.227 -5.773 1.00 65.05 H new ATOM 0 HE22 GLN A 38 16.112 -3.935 -6.524 1.00 65.05 H new ATOM 600 N ASP A 39 10.284 -3.776 -4.691 1.00 5.12 N ATOM 601 CA ASP A 39 9.139 -2.888 -4.918 1.00 11.32 C ATOM 602 C ASP A 39 9.098 -1.813 -3.839 1.00 63.31 C ATOM 603 O ASP A 39 8.990 -0.640 -4.155 1.00 43.31 O ATOM 604 CB ASP A 39 7.817 -3.677 -4.900 1.00 4.12 C ATOM 605 CG ASP A 39 7.805 -4.839 -5.889 1.00 55.03 C ATOM 606 OD1 ASP A 39 7.613 -4.600 -7.098 1.00 55.00 O ATOM 607 OD2 ASP A 39 7.976 -6.001 -5.462 1.00 54.33 O ATOM 0 H ASP A 39 10.018 -4.729 -4.443 1.00 5.12 H new ATOM 0 HA ASP A 39 9.257 -2.426 -5.898 1.00 11.32 H new ATOM 0 HB2 ASP A 39 7.642 -4.060 -3.895 1.00 4.12 H new ATOM 0 HB3 ASP A 39 6.993 -3.001 -5.131 1.00 4.12 H new ATOM 612 N ILE A 40 9.212 -2.266 -2.569 1.00 35.53 N ATOM 613 CA ILE A 40 9.233 -1.408 -1.360 1.00 72.52 C ATOM 614 C ILE A 40 10.134 -0.163 -1.559 1.00 1.34 C ATOM 615 O ILE A 40 9.700 0.973 -1.340 1.00 23.14 O ATOM 616 CB ILE A 40 9.736 -2.252 -0.117 1.00 13.31 C ATOM 617 CG1 ILE A 40 8.727 -3.402 0.265 1.00 61.52 C ATOM 618 CG2 ILE A 40 10.077 -1.366 1.100 1.00 23.01 C ATOM 619 CD1 ILE A 40 7.342 -2.955 0.687 1.00 35.04 C ATOM 0 H ILE A 40 9.294 -3.259 -2.351 1.00 35.53 H new ATOM 0 HA ILE A 40 8.218 -1.055 -1.177 1.00 72.52 H new ATOM 0 HB ILE A 40 10.666 -2.728 -0.428 1.00 13.31 H new ATOM 0 HG12 ILE A 40 8.627 -4.070 -0.590 1.00 61.52 H new ATOM 0 HG13 ILE A 40 9.162 -3.986 1.076 1.00 61.52 H new ATOM 0 HG21 ILE A 40 10.416 -1.994 1.924 1.00 23.01 H new ATOM 0 HG22 ILE A 40 10.866 -0.664 0.830 1.00 23.01 H new ATOM 0 HG23 ILE A 40 9.190 -0.813 1.407 1.00 23.01 H new ATOM 0 HD11 ILE A 40 6.735 -3.828 0.926 1.00 35.04 H new ATOM 0 HD12 ILE A 40 7.418 -2.315 1.566 1.00 35.04 H new ATOM 0 HD13 ILE A 40 6.875 -2.400 -0.127 1.00 35.04 H new ATOM 631 N ARG A 41 11.374 -0.416 -2.013 1.00 0.24 N ATOM 632 CA ARG A 41 12.386 0.622 -2.253 1.00 23.34 C ATOM 633 C ARG A 41 11.973 1.534 -3.418 1.00 71.51 C ATOM 634 O ARG A 41 12.005 2.762 -3.290 1.00 41.23 O ATOM 635 CB ARG A 41 13.761 -0.041 -2.543 1.00 61.21 C ATOM 636 CG ARG A 41 14.365 -0.812 -1.350 1.00 55.43 C ATOM 637 CD ARG A 41 14.668 0.087 -0.137 1.00 32.14 C ATOM 638 NE ARG A 41 15.670 1.130 -0.443 1.00 34.34 N ATOM 639 CZ ARG A 41 16.743 1.435 0.314 1.00 62.51 C ATOM 640 NH1 ARG A 41 16.995 0.784 1.444 1.00 1.02 N ATOM 641 NH2 ARG A 41 17.550 2.407 -0.061 1.00 40.34 N ATOM 0 H ARG A 41 11.703 -1.358 -2.225 1.00 0.24 H new ATOM 0 HA ARG A 41 12.469 1.239 -1.358 1.00 23.34 H new ATOM 0 HB2 ARG A 41 13.649 -0.726 -3.383 1.00 61.21 H new ATOM 0 HB3 ARG A 41 14.464 0.732 -2.853 1.00 61.21 H new ATOM 0 HG2 ARG A 41 13.674 -1.599 -1.047 1.00 55.43 H new ATOM 0 HG3 ARG A 41 15.285 -1.301 -1.670 1.00 55.43 H new ATOM 0 HD2 ARG A 41 13.746 0.561 0.200 1.00 32.14 H new ATOM 0 HD3 ARG A 41 15.029 -0.529 0.687 1.00 32.14 H new ATOM 0 HE ARG A 41 15.538 1.665 -1.301 1.00 34.34 H new ATOM 0 HH11 ARG A 41 16.371 0.038 1.753 1.00 1.02 H new ATOM 0 HH12 ARG A 41 17.812 1.030 2.003 1.00 1.02 H new ATOM 0 HH21 ARG A 41 17.361 2.924 -0.920 1.00 40.34 H new ATOM 0 HH22 ARG A 41 18.363 2.642 0.508 1.00 40.34 H new ATOM 655 N ASP A 42 11.569 0.902 -4.543 1.00 4.32 N ATOM 656 CA ASP A 42 11.202 1.602 -5.794 1.00 64.44 C ATOM 657 C ASP A 42 10.029 2.595 -5.594 1.00 55.45 C ATOM 658 O ASP A 42 10.055 3.709 -6.133 1.00 32.24 O ATOM 659 CB ASP A 42 10.856 0.559 -6.896 1.00 5.30 C ATOM 660 CG ASP A 42 10.387 1.198 -8.220 1.00 50.13 C ATOM 661 OD1 ASP A 42 11.237 1.710 -8.981 1.00 22.32 O ATOM 662 OD2 ASP A 42 9.167 1.190 -8.507 1.00 65.41 O ATOM 0 H ASP A 42 11.488 -0.113 -4.608 1.00 4.32 H new ATOM 0 HA ASP A 42 12.062 2.193 -6.107 1.00 64.44 H new ATOM 0 HB2 ASP A 42 11.733 -0.058 -7.090 1.00 5.30 H new ATOM 0 HB3 ASP A 42 10.075 -0.105 -6.525 1.00 5.30 H new ATOM 667 N ILE A 43 9.024 2.171 -4.799 1.00 21.40 N ATOM 668 CA ILE A 43 7.782 2.935 -4.559 1.00 22.11 C ATOM 669 C ILE A 43 8.073 4.213 -3.756 1.00 73.33 C ATOM 670 O ILE A 43 7.706 5.307 -4.184 1.00 13.42 O ATOM 671 CB ILE A 43 6.719 2.069 -3.787 1.00 74.14 C ATOM 672 CG1 ILE A 43 6.310 0.805 -4.613 1.00 42.13 C ATOM 673 CG2 ILE A 43 5.476 2.916 -3.411 1.00 53.25 C ATOM 674 CD1 ILE A 43 5.549 -0.254 -3.819 1.00 31.15 C ATOM 0 H ILE A 43 9.052 1.281 -4.302 1.00 21.40 H new ATOM 0 HA ILE A 43 7.376 3.205 -5.534 1.00 22.11 H new ATOM 0 HB ILE A 43 7.181 1.725 -2.862 1.00 74.14 H new ATOM 0 HG12 ILE A 43 5.694 1.121 -5.455 1.00 42.13 H new ATOM 0 HG13 ILE A 43 7.210 0.352 -5.028 1.00 42.13 H new ATOM 0 HG21 ILE A 43 4.758 2.292 -2.879 1.00 53.25 H new ATOM 0 HG22 ILE A 43 5.780 3.745 -2.772 1.00 53.25 H new ATOM 0 HG23 ILE A 43 5.014 3.307 -4.318 1.00 53.25 H new ATOM 0 HD11 ILE A 43 5.307 -1.093 -4.471 1.00 31.15 H new ATOM 0 HD12 ILE A 43 6.168 -0.604 -2.993 1.00 31.15 H new ATOM 0 HD13 ILE A 43 4.629 0.178 -3.426 1.00 31.15 H new ATOM 686 N ILE A 44 8.727 4.038 -2.586 1.00 5.50 N ATOM 687 CA ILE A 44 9.069 5.144 -1.665 1.00 71.40 C ATOM 688 C ILE A 44 9.914 6.202 -2.405 1.00 62.43 C ATOM 689 O ILE A 44 9.581 7.392 -2.385 1.00 21.33 O ATOM 690 CB ILE A 44 9.824 4.583 -0.396 1.00 55.05 C ATOM 691 CG1 ILE A 44 8.881 3.620 0.409 1.00 43.11 C ATOM 692 CG2 ILE A 44 10.375 5.721 0.509 1.00 4.10 C ATOM 693 CD1 ILE A 44 9.550 2.869 1.547 1.00 63.51 C ATOM 0 H ILE A 44 9.033 3.124 -2.254 1.00 5.50 H new ATOM 0 HA ILE A 44 8.153 5.625 -1.321 1.00 71.40 H new ATOM 0 HB ILE A 44 10.689 4.018 -0.744 1.00 55.05 H new ATOM 0 HG12 ILE A 44 8.053 4.202 0.815 1.00 43.11 H new ATOM 0 HG13 ILE A 44 8.452 2.895 -0.282 1.00 43.11 H new ATOM 0 HG21 ILE A 44 10.886 5.287 1.369 1.00 4.10 H new ATOM 0 HG22 ILE A 44 11.076 6.331 -0.060 1.00 4.10 H new ATOM 0 HG23 ILE A 44 9.549 6.344 0.854 1.00 4.10 H new ATOM 0 HD11 ILE A 44 8.818 2.231 2.042 1.00 63.51 H new ATOM 0 HD12 ILE A 44 10.359 2.255 1.152 1.00 63.51 H new ATOM 0 HD13 ILE A 44 9.954 3.582 2.266 1.00 63.51 H new ATOM 705 N LYS A 45 10.943 5.705 -3.114 1.00 23.21 N ATOM 706 CA LYS A 45 11.848 6.503 -3.965 1.00 73.00 C ATOM 707 C LYS A 45 11.073 7.305 -5.047 1.00 22.43 C ATOM 708 O LYS A 45 11.410 8.463 -5.335 1.00 75.31 O ATOM 709 CB LYS A 45 12.905 5.525 -4.580 1.00 63.24 C ATOM 710 CG LYS A 45 13.866 6.098 -5.665 1.00 44.15 C ATOM 711 CD LYS A 45 13.420 5.779 -7.119 1.00 11.22 C ATOM 712 CE LYS A 45 13.385 4.268 -7.419 1.00 12.52 C ATOM 713 NZ LYS A 45 12.976 3.989 -8.816 1.00 22.13 N ATOM 0 H LYS A 45 11.175 4.712 -3.112 1.00 23.21 H new ATOM 0 HA LYS A 45 12.357 7.259 -3.367 1.00 73.00 H new ATOM 0 HB2 LYS A 45 13.513 5.131 -3.766 1.00 63.24 H new ATOM 0 HB3 LYS A 45 12.370 4.681 -5.016 1.00 63.24 H new ATOM 0 HG2 LYS A 45 13.935 7.179 -5.544 1.00 44.15 H new ATOM 0 HG3 LYS A 45 14.866 5.695 -5.503 1.00 44.15 H new ATOM 0 HD2 LYS A 45 12.430 6.201 -7.291 1.00 11.22 H new ATOM 0 HD3 LYS A 45 14.100 6.267 -7.817 1.00 11.22 H new ATOM 0 HE2 LYS A 45 14.371 3.839 -7.237 1.00 12.52 H new ATOM 0 HE3 LYS A 45 12.693 3.778 -6.734 1.00 12.52 H new ATOM 0 HZ1 LYS A 45 12.342 3.165 -8.834 1.00 22.13 H new ATOM 0 HZ2 LYS A 45 12.479 4.816 -9.204 1.00 22.13 H new ATOM 0 HZ3 LYS A 45 13.819 3.790 -9.391 1.00 22.13 H new ATOM 727 N SER A 46 10.027 6.675 -5.619 1.00 23.12 N ATOM 728 CA SER A 46 9.177 7.289 -6.657 1.00 30.40 C ATOM 729 C SER A 46 8.263 8.391 -6.061 1.00 74.33 C ATOM 730 O SER A 46 8.020 9.419 -6.713 1.00 42.14 O ATOM 731 CB SER A 46 8.337 6.194 -7.368 1.00 12.04 C ATOM 732 OG SER A 46 7.589 6.727 -8.451 1.00 63.53 O ATOM 0 H SER A 46 9.748 5.725 -5.373 1.00 23.12 H new ATOM 0 HA SER A 46 9.824 7.768 -7.392 1.00 30.40 H new ATOM 0 HB2 SER A 46 8.998 5.408 -7.734 1.00 12.04 H new ATOM 0 HB3 SER A 46 7.659 5.732 -6.650 1.00 12.04 H new ATOM 0 HG SER A 46 7.608 6.098 -9.202 1.00 63.53 H new ATOM 738 N MET A 47 7.781 8.175 -4.817 1.00 53.41 N ATOM 739 CA MET A 47 6.863 9.117 -4.132 1.00 13.22 C ATOM 740 C MET A 47 7.607 10.346 -3.590 1.00 43.15 C ATOM 741 O MET A 47 6.989 11.383 -3.345 1.00 43.44 O ATOM 742 CB MET A 47 6.089 8.419 -2.985 1.00 1.53 C ATOM 743 CG MET A 47 5.173 7.293 -3.456 1.00 11.21 C ATOM 744 SD MET A 47 4.123 6.626 -2.152 1.00 42.13 S ATOM 745 CE MET A 47 5.346 6.027 -1.001 1.00 11.12 C ATOM 0 H MET A 47 8.014 7.351 -4.262 1.00 53.41 H new ATOM 0 HA MET A 47 6.147 9.455 -4.881 1.00 13.22 H new ATOM 0 HB2 MET A 47 6.805 8.017 -2.268 1.00 1.53 H new ATOM 0 HB3 MET A 47 5.493 9.163 -2.456 1.00 1.53 H new ATOM 0 HG2 MET A 47 4.543 7.662 -4.265 1.00 11.21 H new ATOM 0 HG3 MET A 47 5.782 6.488 -3.868 1.00 11.21 H new ATOM 0 HE1 MET A 47 4.849 5.522 -0.173 1.00 11.12 H new ATOM 0 HE2 MET A 47 6.010 5.327 -1.508 1.00 11.12 H new ATOM 0 HE3 MET A 47 5.927 6.866 -0.618 1.00 11.12 H new ATOM 755 N LYS A 48 8.928 10.211 -3.371 1.00 71.35 N ATOM 756 CA LYS A 48 9.782 11.346 -2.985 1.00 71.31 C ATOM 757 C LYS A 48 9.828 12.385 -4.110 1.00 55.12 C ATOM 758 O LYS A 48 9.620 13.585 -3.878 1.00 45.34 O ATOM 759 CB LYS A 48 11.213 10.880 -2.682 1.00 11.34 C ATOM 760 CG LYS A 48 11.337 9.860 -1.541 1.00 22.13 C ATOM 761 CD LYS A 48 12.809 9.570 -1.214 1.00 24.31 C ATOM 762 CE LYS A 48 13.520 10.814 -0.666 1.00 72.10 C ATOM 763 NZ LYS A 48 14.966 10.584 -0.461 1.00 31.33 N ATOM 0 H LYS A 48 9.426 9.325 -3.455 1.00 71.35 H new ATOM 0 HA LYS A 48 9.353 11.791 -2.087 1.00 71.31 H new ATOM 0 HB2 LYS A 48 11.636 10.443 -3.587 1.00 11.34 H new ATOM 0 HB3 LYS A 48 11.818 11.752 -2.436 1.00 11.34 H new ATOM 0 HG2 LYS A 48 10.832 10.241 -0.653 1.00 22.13 H new ATOM 0 HG3 LYS A 48 10.835 8.934 -1.821 1.00 22.13 H new ATOM 0 HD2 LYS A 48 12.868 8.764 -0.482 1.00 24.31 H new ATOM 0 HD3 LYS A 48 13.321 9.223 -2.112 1.00 24.31 H new ATOM 0 HE2 LYS A 48 13.380 11.645 -1.358 1.00 72.10 H new ATOM 0 HE3 LYS A 48 13.062 11.106 0.279 1.00 72.10 H new ATOM 0 HZ1 LYS A 48 15.329 11.259 0.242 1.00 31.33 H new ATOM 0 HZ2 LYS A 48 15.118 9.613 -0.120 1.00 31.33 H new ATOM 0 HZ3 LYS A 48 15.470 10.717 -1.361 1.00 31.33 H new ATOM 777 N ASP A 49 10.078 11.879 -5.333 1.00 33.15 N ATOM 778 CA ASP A 49 10.267 12.705 -6.537 1.00 65.03 C ATOM 779 C ASP A 49 8.974 13.453 -6.919 1.00 21.15 C ATOM 780 O ASP A 49 9.027 14.557 -7.481 1.00 71.12 O ATOM 781 CB ASP A 49 10.756 11.811 -7.710 1.00 25.52 C ATOM 782 CG ASP A 49 10.962 12.585 -9.026 1.00 33.31 C ATOM 783 OD1 ASP A 49 11.971 13.312 -9.142 1.00 40.33 O ATOM 784 OD2 ASP A 49 10.108 12.488 -9.940 1.00 43.21 O ATOM 0 H ASP A 49 10.155 10.878 -5.512 1.00 33.15 H new ATOM 0 HA ASP A 49 11.023 13.460 -6.323 1.00 65.03 H new ATOM 0 HB2 ASP A 49 11.695 11.335 -7.427 1.00 25.52 H new ATOM 0 HB3 ASP A 49 10.031 11.014 -7.876 1.00 25.52 H new ATOM 789 N ASN A 50 7.819 12.860 -6.592 1.00 63.34 N ATOM 790 CA ASN A 50 6.502 13.405 -6.962 1.00 22.20 C ATOM 791 C ASN A 50 5.620 13.532 -5.712 1.00 74.02 C ATOM 792 O ASN A 50 5.299 12.530 -5.073 1.00 24.43 O ATOM 793 CB ASN A 50 5.838 12.486 -8.029 1.00 64.11 C ATOM 794 CG ASN A 50 4.562 13.058 -8.672 1.00 1.21 C ATOM 795 OD1 ASN A 50 3.776 13.757 -8.038 1.00 70.35 O ATOM 796 ND2 ASN A 50 4.356 12.763 -9.948 1.00 30.43 N ATOM 0 H ASN A 50 7.769 11.989 -6.064 1.00 63.34 H new ATOM 0 HA ASN A 50 6.623 14.399 -7.393 1.00 22.20 H new ATOM 0 HB2 ASN A 50 6.565 12.283 -8.816 1.00 64.11 H new ATOM 0 HB3 ASN A 50 5.596 11.530 -7.564 1.00 64.11 H new ATOM 0 HD21 ASN A 50 3.529 13.119 -10.427 1.00 30.43 H new ATOM 0 HD22 ASN A 50 5.025 12.180 -10.451 1.00 30.43 H new ATOM 803 N GLY A 51 5.237 14.781 -5.380 1.00 41.33 N ATOM 804 CA GLY A 51 4.307 15.065 -4.290 1.00 21.20 C ATOM 805 C GLY A 51 2.900 14.552 -4.586 1.00 61.45 C ATOM 806 O GLY A 51 2.053 15.297 -5.102 1.00 43.41 O ATOM 0 H GLY A 51 5.568 15.615 -5.865 1.00 41.33 H new ATOM 0 HA2 GLY A 51 4.674 14.606 -3.372 1.00 21.20 H new ATOM 0 HA3 GLY A 51 4.271 16.140 -4.116 1.00 21.20 H new ATOM 810 N LYS A 52 2.672 13.263 -4.282 1.00 51.43 N ATOM 811 CA LYS A 52 1.410 12.566 -4.569 1.00 73.51 C ATOM 812 C LYS A 52 1.165 11.452 -3.524 1.00 70.04 C ATOM 813 O LYS A 52 2.127 10.932 -2.931 1.00 64.21 O ATOM 814 CB LYS A 52 1.449 11.956 -6.002 1.00 23.34 C ATOM 815 CG LYS A 52 2.483 10.822 -6.206 1.00 72.14 C ATOM 816 CD LYS A 52 2.506 10.239 -7.643 1.00 73.21 C ATOM 817 CE LYS A 52 1.218 9.482 -8.045 1.00 45.43 C ATOM 818 NZ LYS A 52 0.090 10.377 -8.420 1.00 11.22 N ATOM 0 H LYS A 52 3.366 12.671 -3.826 1.00 51.43 H new ATOM 0 HA LYS A 52 0.592 13.285 -4.514 1.00 73.51 H new ATOM 0 HB2 LYS A 52 0.458 11.571 -6.243 1.00 23.34 H new ATOM 0 HB3 LYS A 52 1.663 12.753 -6.714 1.00 23.34 H new ATOM 0 HG2 LYS A 52 3.476 11.202 -5.963 1.00 72.14 H new ATOM 0 HG3 LYS A 52 2.268 10.018 -5.502 1.00 72.14 H new ATOM 0 HD2 LYS A 52 2.671 11.052 -8.350 1.00 73.21 H new ATOM 0 HD3 LYS A 52 3.355 9.561 -7.734 1.00 73.21 H new ATOM 0 HE2 LYS A 52 1.441 8.823 -8.884 1.00 45.43 H new ATOM 0 HE3 LYS A 52 0.906 8.847 -7.215 1.00 45.43 H new ATOM 0 HZ1 LYS A 52 -0.726 10.183 -7.806 1.00 11.22 H new ATOM 0 HZ2 LYS A 52 0.381 11.369 -8.305 1.00 11.22 H new ATOM 0 HZ3 LYS A 52 -0.174 10.206 -9.411 1.00 11.22 H new ATOM 832 N PRO A 53 -0.128 11.089 -3.252 1.00 41.33 N ATOM 833 CA PRO A 53 -0.465 9.898 -2.456 1.00 1.43 C ATOM 834 C PRO A 53 -0.624 8.612 -3.314 1.00 4.42 C ATOM 835 O PRO A 53 -1.110 8.666 -4.451 1.00 23.34 O ATOM 836 CB PRO A 53 -1.795 10.317 -1.790 1.00 0.24 C ATOM 837 CG PRO A 53 -2.472 11.206 -2.804 1.00 63.14 C ATOM 838 CD PRO A 53 -1.359 11.845 -3.638 1.00 53.22 C ATOM 0 HA PRO A 53 0.319 9.628 -1.749 1.00 1.43 H new ATOM 0 HB2 PRO A 53 -2.409 9.448 -1.553 1.00 0.24 H new ATOM 0 HB3 PRO A 53 -1.619 10.848 -0.854 1.00 0.24 H new ATOM 0 HG2 PRO A 53 -3.147 10.629 -3.436 1.00 63.14 H new ATOM 0 HG3 PRO A 53 -3.073 11.969 -2.310 1.00 63.14 H new ATOM 0 HD2 PRO A 53 -1.561 11.757 -4.705 1.00 53.22 H new ATOM 0 HD3 PRO A 53 -1.258 12.908 -3.419 1.00 53.22 H new ATOM 846 N LEU A 54 -0.184 7.467 -2.748 1.00 55.14 N ATOM 847 CA LEU A 54 -0.337 6.119 -3.361 1.00 43.24 C ATOM 848 C LEU A 54 -0.920 5.136 -2.337 1.00 2.12 C ATOM 849 O LEU A 54 -0.916 5.401 -1.138 1.00 62.21 O ATOM 850 CB LEU A 54 1.032 5.579 -3.890 1.00 4.10 C ATOM 851 CG LEU A 54 1.649 6.333 -5.113 1.00 42.00 C ATOM 852 CD1 LEU A 54 2.959 5.683 -5.598 1.00 0.02 C ATOM 853 CD2 LEU A 54 0.640 6.417 -6.261 1.00 21.53 C ATOM 0 H LEU A 54 0.292 7.447 -1.846 1.00 55.14 H new ATOM 0 HA LEU A 54 -1.019 6.211 -4.206 1.00 43.24 H new ATOM 0 HB2 LEU A 54 1.751 5.609 -3.071 1.00 4.10 H new ATOM 0 HB3 LEU A 54 0.904 4.532 -4.163 1.00 4.10 H new ATOM 0 HG LEU A 54 1.891 7.341 -4.777 1.00 42.00 H new ATOM 0 HD11 LEU A 54 3.349 6.242 -6.449 1.00 0.02 H new ATOM 0 HD12 LEU A 54 3.691 5.693 -4.790 1.00 0.02 H new ATOM 0 HD13 LEU A 54 2.765 4.653 -5.899 1.00 0.02 H new ATOM 0 HD21 LEU A 54 1.089 6.945 -7.102 1.00 21.53 H new ATOM 0 HD22 LEU A 54 0.359 5.411 -6.573 1.00 21.53 H new ATOM 0 HD23 LEU A 54 -0.247 6.955 -5.927 1.00 21.53 H new ATOM 865 N VAL A 55 -1.430 3.998 -2.830 1.00 64.11 N ATOM 866 CA VAL A 55 -1.901 2.882 -1.984 1.00 51.51 C ATOM 867 C VAL A 55 -1.077 1.631 -2.340 1.00 1.35 C ATOM 868 O VAL A 55 -1.205 1.112 -3.450 1.00 11.10 O ATOM 869 CB VAL A 55 -3.437 2.595 -2.199 1.00 61.14 C ATOM 870 CG1 VAL A 55 -3.939 1.456 -1.276 1.00 2.12 C ATOM 871 CG2 VAL A 55 -4.285 3.879 -2.010 1.00 63.21 C ATOM 0 H VAL A 55 -1.529 3.821 -3.830 1.00 64.11 H new ATOM 0 HA VAL A 55 -1.767 3.149 -0.936 1.00 51.51 H new ATOM 0 HB VAL A 55 -3.561 2.263 -3.230 1.00 61.14 H new ATOM 0 HG11 VAL A 55 -5.001 1.286 -1.452 1.00 2.12 H new ATOM 0 HG12 VAL A 55 -3.385 0.542 -1.491 1.00 2.12 H new ATOM 0 HG13 VAL A 55 -3.784 1.737 -0.234 1.00 2.12 H new ATOM 0 HG21 VAL A 55 -5.338 3.646 -2.165 1.00 63.21 H new ATOM 0 HG22 VAL A 55 -4.144 4.263 -1.000 1.00 63.21 H new ATOM 0 HG23 VAL A 55 -3.970 4.633 -2.732 1.00 63.21 H new ATOM 881 N VAL A 56 -0.197 1.183 -1.421 1.00 34.41 N ATOM 882 CA VAL A 56 0.639 -0.021 -1.632 1.00 1.54 C ATOM 883 C VAL A 56 -0.044 -1.267 -1.054 1.00 53.41 C ATOM 884 O VAL A 56 -0.204 -1.386 0.160 1.00 21.42 O ATOM 885 CB VAL A 56 2.070 0.134 -0.992 1.00 25.05 C ATOM 886 CG1 VAL A 56 2.892 -1.184 -1.066 1.00 21.32 C ATOM 887 CG2 VAL A 56 2.840 1.279 -1.668 1.00 43.30 C ATOM 0 H VAL A 56 -0.045 1.638 -0.521 1.00 34.41 H new ATOM 0 HA VAL A 56 0.757 -0.136 -2.709 1.00 1.54 H new ATOM 0 HB VAL A 56 1.927 0.371 0.062 1.00 25.05 H new ATOM 0 HG11 VAL A 56 3.871 -1.028 -0.613 1.00 21.32 H new ATOM 0 HG12 VAL A 56 2.365 -1.972 -0.529 1.00 21.32 H new ATOM 0 HG13 VAL A 56 3.017 -1.477 -2.108 1.00 21.32 H new ATOM 0 HG21 VAL A 56 3.826 1.372 -1.214 1.00 43.30 H new ATOM 0 HG22 VAL A 56 2.949 1.066 -2.731 1.00 43.30 H new ATOM 0 HG23 VAL A 56 2.292 2.212 -1.539 1.00 43.30 H new ATOM 897 N PHE A 57 -0.453 -2.177 -1.942 1.00 3.22 N ATOM 898 CA PHE A 57 -0.909 -3.518 -1.562 1.00 73.31 C ATOM 899 C PHE A 57 0.307 -4.459 -1.514 1.00 24.35 C ATOM 900 O PHE A 57 0.854 -4.808 -2.556 1.00 40.24 O ATOM 901 CB PHE A 57 -1.940 -4.028 -2.602 1.00 34.02 C ATOM 902 CG PHE A 57 -3.260 -3.268 -2.599 1.00 15.14 C ATOM 903 CD1 PHE A 57 -3.432 -2.107 -3.355 1.00 10.40 C ATOM 904 CD2 PHE A 57 -4.337 -3.724 -1.841 1.00 1.12 C ATOM 905 CE1 PHE A 57 -4.637 -1.430 -3.345 1.00 31.32 C ATOM 906 CE2 PHE A 57 -5.532 -3.045 -1.831 1.00 11.15 C ATOM 907 CZ PHE A 57 -5.684 -1.900 -2.586 1.00 13.34 C ATOM 0 H PHE A 57 -0.478 -2.005 -2.947 1.00 3.22 H new ATOM 0 HA PHE A 57 -1.385 -3.489 -0.582 1.00 73.31 H new ATOM 0 HB2 PHE A 57 -1.499 -3.963 -3.596 1.00 34.02 H new ATOM 0 HB3 PHE A 57 -2.140 -5.082 -2.411 1.00 34.02 H new ATOM 0 HD1 PHE A 57 -2.615 -1.734 -3.954 1.00 10.40 H new ATOM 0 HD2 PHE A 57 -4.231 -4.624 -1.253 1.00 1.12 H new ATOM 0 HE1 PHE A 57 -4.757 -0.532 -3.933 1.00 31.32 H new ATOM 0 HE2 PHE A 57 -6.353 -3.408 -1.231 1.00 11.15 H new ATOM 0 HZ PHE A 57 -6.626 -1.372 -2.581 1.00 13.34 H new ATOM 917 N VAL A 58 0.750 -4.859 -0.305 1.00 3.23 N ATOM 918 CA VAL A 58 1.848 -5.828 -0.170 1.00 65.33 C ATOM 919 C VAL A 58 1.273 -7.262 -0.258 1.00 33.22 C ATOM 920 O VAL A 58 0.453 -7.672 0.575 1.00 13.02 O ATOM 921 CB VAL A 58 2.736 -5.606 1.122 1.00 12.13 C ATOM 922 CG1 VAL A 58 3.355 -4.191 1.138 1.00 51.41 C ATOM 923 CG2 VAL A 58 1.981 -5.881 2.440 1.00 10.45 C ATOM 0 H VAL A 58 0.367 -4.528 0.581 1.00 3.23 H new ATOM 0 HA VAL A 58 2.539 -5.670 -0.998 1.00 65.33 H new ATOM 0 HB VAL A 58 3.537 -6.343 1.063 1.00 12.13 H new ATOM 0 HG11 VAL A 58 3.959 -4.068 2.037 1.00 51.41 H new ATOM 0 HG12 VAL A 58 3.984 -4.059 0.257 1.00 51.41 H new ATOM 0 HG13 VAL A 58 2.560 -3.446 1.131 1.00 51.41 H new ATOM 0 HG21 VAL A 58 2.649 -5.710 3.284 1.00 10.45 H new ATOM 0 HG22 VAL A 58 1.123 -5.213 2.514 1.00 10.45 H new ATOM 0 HG23 VAL A 58 1.637 -6.915 2.453 1.00 10.45 H new ATOM 933 N ASN A 59 1.643 -7.984 -1.333 1.00 45.22 N ATOM 934 CA ASN A 59 1.185 -9.362 -1.580 1.00 43.13 C ATOM 935 C ASN A 59 1.880 -10.327 -0.615 1.00 40.11 C ATOM 936 O ASN A 59 2.944 -10.869 -0.943 1.00 35.32 O ATOM 937 CB ASN A 59 1.442 -9.803 -3.052 1.00 73.45 C ATOM 938 CG ASN A 59 0.688 -8.984 -4.094 1.00 3.15 C ATOM 939 OD1 ASN A 59 -0.366 -8.417 -3.824 1.00 2.13 O ATOM 940 ND2 ASN A 59 1.199 -8.955 -5.312 1.00 65.21 N ATOM 0 H ASN A 59 2.269 -7.626 -2.055 1.00 45.22 H new ATOM 0 HA ASN A 59 0.109 -9.388 -1.410 1.00 43.13 H new ATOM 0 HB2 ASN A 59 2.510 -9.736 -3.258 1.00 73.45 H new ATOM 0 HB3 ASN A 59 1.162 -10.851 -3.159 1.00 73.45 H new ATOM 0 HD21 ASN A 59 0.715 -8.452 -6.056 1.00 65.21 H new ATOM 0 HD22 ASN A 59 2.077 -9.435 -5.508 1.00 65.21 H new ATOM 947 N GLY A 60 1.294 -10.474 0.595 1.00 34.11 N ATOM 948 CA GLY A 60 1.797 -11.388 1.629 1.00 73.04 C ATOM 949 C GLY A 60 3.274 -11.192 1.958 1.00 43.42 C ATOM 950 O GLY A 60 3.977 -12.165 2.265 1.00 10.11 O ATOM 0 H GLY A 60 0.459 -9.959 0.876 1.00 34.11 H new ATOM 0 HA2 GLY A 60 1.211 -11.252 2.538 1.00 73.04 H new ATOM 0 HA3 GLY A 60 1.641 -12.415 1.300 1.00 73.04 H new ATOM 954 N ALA A 61 3.742 -9.930 1.877 1.00 33.14 N ATOM 955 CA ALA A 61 5.150 -9.578 2.104 1.00 0.40 C ATOM 956 C ALA A 61 5.534 -9.812 3.575 1.00 3.42 C ATOM 957 O ALA A 61 4.764 -9.476 4.486 1.00 3.14 O ATOM 958 CB ALA A 61 5.414 -8.123 1.680 1.00 3.43 C ATOM 0 H ALA A 61 3.151 -9.130 1.652 1.00 33.14 H new ATOM 0 HA ALA A 61 5.777 -10.225 1.490 1.00 0.40 H new ATOM 0 HB1 ALA A 61 6.462 -7.878 1.854 1.00 3.43 H new ATOM 0 HB2 ALA A 61 5.185 -8.005 0.621 1.00 3.43 H new ATOM 0 HB3 ALA A 61 4.782 -7.454 2.264 1.00 3.43 H new ATOM 964 N SER A 62 6.735 -10.388 3.784 1.00 60.34 N ATOM 965 CA SER A 62 7.230 -10.762 5.116 1.00 64.21 C ATOM 966 C SER A 62 7.499 -9.503 5.961 1.00 54.35 C ATOM 967 O SER A 62 7.589 -8.386 5.417 1.00 21.13 O ATOM 968 CB SER A 62 8.520 -11.615 4.988 1.00 11.04 C ATOM 969 OG SER A 62 9.588 -10.866 4.438 1.00 4.43 O ATOM 0 H SER A 62 7.387 -10.606 3.030 1.00 60.34 H new ATOM 0 HA SER A 62 6.467 -11.357 5.618 1.00 64.21 H new ATOM 0 HB2 SER A 62 8.807 -11.991 5.970 1.00 11.04 H new ATOM 0 HB3 SER A 62 8.322 -12.483 4.359 1.00 11.04 H new ATOM 0 HG SER A 62 9.268 -10.361 3.662 1.00 4.43 H new ATOM 975 N GLN A 63 7.633 -9.700 7.284 1.00 5.42 N ATOM 976 CA GLN A 63 7.875 -8.615 8.250 1.00 32.24 C ATOM 977 C GLN A 63 9.180 -7.854 7.929 1.00 1.21 C ATOM 978 O GLN A 63 9.314 -6.689 8.295 1.00 43.41 O ATOM 979 CB GLN A 63 7.885 -9.173 9.707 1.00 63.21 C ATOM 980 CG GLN A 63 8.016 -8.100 10.818 1.00 2.33 C ATOM 981 CD GLN A 63 6.942 -7.001 10.753 1.00 71.43 C ATOM 982 OE1 GLN A 63 5.804 -7.226 10.326 1.00 4.32 O ATOM 983 NE2 GLN A 63 7.295 -5.803 11.176 1.00 34.22 N ATOM 0 H GLN A 63 7.576 -10.622 7.716 1.00 5.42 H new ATOM 0 HA GLN A 63 7.057 -7.899 8.167 1.00 32.24 H new ATOM 0 HB2 GLN A 63 6.965 -9.734 9.871 1.00 63.21 H new ATOM 0 HB3 GLN A 63 8.711 -9.878 9.804 1.00 63.21 H new ATOM 0 HG2 GLN A 63 7.962 -8.590 11.790 1.00 2.33 H new ATOM 0 HG3 GLN A 63 9.000 -7.637 10.748 1.00 2.33 H new ATOM 0 HE21 GLN A 63 8.240 -5.643 11.524 1.00 34.22 H new ATOM 0 HE22 GLN A 63 6.623 -5.036 11.155 1.00 34.22 H new ATOM 992 N ASN A 64 10.112 -8.526 7.216 1.00 3.13 N ATOM 993 CA ASN A 64 11.336 -7.898 6.697 1.00 62.01 C ATOM 994 C ASN A 64 10.951 -6.730 5.769 1.00 74.10 C ATOM 995 O ASN A 64 11.291 -5.588 6.062 1.00 25.41 O ATOM 996 CB ASN A 64 12.216 -8.948 5.955 1.00 12.21 C ATOM 997 CG ASN A 64 13.623 -8.449 5.564 1.00 41.12 C ATOM 998 OD1 ASN A 64 13.836 -7.279 5.251 1.00 2.24 O ATOM 999 ND2 ASN A 64 14.604 -9.345 5.584 1.00 2.24 N ATOM 0 H ASN A 64 10.032 -9.517 6.988 1.00 3.13 H new ATOM 0 HA ASN A 64 11.927 -7.507 7.525 1.00 62.01 H new ATOM 0 HB2 ASN A 64 12.321 -9.828 6.590 1.00 12.21 H new ATOM 0 HB3 ASN A 64 11.694 -9.266 5.052 1.00 12.21 H new ATOM 0 HD21 ASN A 64 15.554 -9.067 5.337 1.00 2.24 H new ATOM 0 HD22 ASN A 64 14.407 -10.311 5.846 1.00 2.24 H new ATOM 1006 N ASP A 65 10.164 -7.039 4.707 1.00 13.31 N ATOM 1007 CA ASP A 65 9.744 -6.051 3.673 1.00 61.31 C ATOM 1008 C ASP A 65 8.942 -4.899 4.292 1.00 13.15 C ATOM 1009 O ASP A 65 9.073 -3.743 3.880 1.00 32.03 O ATOM 1010 CB ASP A 65 8.871 -6.723 2.576 1.00 24.20 C ATOM 1011 CG ASP A 65 9.508 -7.982 1.982 1.00 35.34 C ATOM 1012 OD1 ASP A 65 10.580 -7.873 1.364 1.00 65.20 O ATOM 1013 OD2 ASP A 65 8.943 -9.083 2.128 1.00 44.41 O ATOM 0 H ASP A 65 9.802 -7.978 4.541 1.00 13.31 H new ATOM 0 HA ASP A 65 10.658 -5.659 3.227 1.00 61.31 H new ATOM 0 HB2 ASP A 65 7.901 -6.981 3.001 1.00 24.20 H new ATOM 0 HB3 ASP A 65 8.688 -6.005 1.777 1.00 24.20 H new ATOM 1018 N VAL A 66 8.096 -5.261 5.274 1.00 40.33 N ATOM 1019 CA VAL A 66 7.261 -4.317 6.027 1.00 64.43 C ATOM 1020 C VAL A 66 8.149 -3.323 6.803 1.00 1.11 C ATOM 1021 O VAL A 66 7.926 -2.118 6.736 1.00 62.04 O ATOM 1022 CB VAL A 66 6.281 -5.083 6.998 1.00 45.23 C ATOM 1023 CG1 VAL A 66 5.450 -4.113 7.878 1.00 73.24 C ATOM 1024 CG2 VAL A 66 5.355 -6.031 6.189 1.00 43.55 C ATOM 0 H VAL A 66 7.974 -6.230 5.568 1.00 40.33 H new ATOM 0 HA VAL A 66 6.651 -3.753 5.321 1.00 64.43 H new ATOM 0 HB VAL A 66 6.891 -5.680 7.677 1.00 45.23 H new ATOM 0 HG11 VAL A 66 4.791 -4.687 8.529 1.00 73.24 H new ATOM 0 HG12 VAL A 66 6.122 -3.507 8.485 1.00 73.24 H new ATOM 0 HG13 VAL A 66 4.853 -3.463 7.239 1.00 73.24 H new ATOM 0 HG21 VAL A 66 4.684 -6.553 6.871 1.00 43.55 H new ATOM 0 HG22 VAL A 66 4.769 -5.448 5.479 1.00 43.55 H new ATOM 0 HG23 VAL A 66 5.961 -6.758 5.649 1.00 43.55 H new ATOM 1034 N ASN A 67 9.186 -3.849 7.489 1.00 53.43 N ATOM 1035 CA ASN A 67 10.151 -3.030 8.258 1.00 31.50 C ATOM 1036 C ASN A 67 10.983 -2.139 7.326 1.00 54.30 C ATOM 1037 O ASN A 67 11.260 -0.987 7.671 1.00 75.42 O ATOM 1038 CB ASN A 67 11.073 -3.919 9.141 1.00 24.33 C ATOM 1039 CG ASN A 67 10.344 -4.534 10.337 1.00 2.21 C ATOM 1040 OD1 ASN A 67 9.454 -3.920 10.932 1.00 41.22 O ATOM 1041 ND2 ASN A 67 10.702 -5.754 10.697 1.00 53.11 N ATOM 0 H ASN A 67 9.379 -4.850 7.526 1.00 53.43 H new ATOM 0 HA ASN A 67 9.577 -2.384 8.922 1.00 31.50 H new ATOM 0 HB2 ASN A 67 11.493 -4.717 8.529 1.00 24.33 H new ATOM 0 HB3 ASN A 67 11.909 -3.320 9.501 1.00 24.33 H new ATOM 0 HD21 ASN A 67 10.240 -6.210 11.484 1.00 53.11 H new ATOM 0 HD22 ASN A 67 11.441 -6.240 10.188 1.00 53.11 H new ATOM 1048 N GLU A 68 11.349 -2.667 6.134 1.00 34.53 N ATOM 1049 CA GLU A 68 12.089 -1.894 5.120 1.00 0.32 C ATOM 1050 C GLU A 68 11.232 -0.704 4.658 1.00 5.02 C ATOM 1051 O GLU A 68 11.741 0.393 4.464 1.00 21.10 O ATOM 1052 CB GLU A 68 12.493 -2.769 3.891 1.00 54.01 C ATOM 1053 CG GLU A 68 13.288 -4.059 4.209 1.00 65.22 C ATOM 1054 CD GLU A 68 14.556 -3.850 5.068 1.00 62.42 C ATOM 1055 OE1 GLU A 68 14.455 -3.848 6.313 1.00 40.20 O ATOM 1056 OE2 GLU A 68 15.662 -3.703 4.503 1.00 33.13 O ATOM 0 H GLU A 68 11.142 -3.626 5.855 1.00 34.53 H new ATOM 0 HA GLU A 68 13.010 -1.537 5.580 1.00 0.32 H new ATOM 0 HB2 GLU A 68 11.586 -3.048 3.355 1.00 54.01 H new ATOM 0 HB3 GLU A 68 13.088 -2.157 3.214 1.00 54.01 H new ATOM 0 HG2 GLU A 68 12.628 -4.756 4.726 1.00 65.22 H new ATOM 0 HG3 GLU A 68 13.577 -4.530 3.270 1.00 65.22 H new ATOM 1063 N PHE A 69 9.906 -0.948 4.529 1.00 43.01 N ATOM 1064 CA PHE A 69 8.942 0.060 4.068 1.00 3.33 C ATOM 1065 C PHE A 69 8.790 1.169 5.105 1.00 12.44 C ATOM 1066 O PHE A 69 8.813 2.337 4.762 1.00 43.20 O ATOM 1067 CB PHE A 69 7.559 -0.584 3.763 1.00 33.30 C ATOM 1068 CG PHE A 69 6.590 0.341 3.013 1.00 64.32 C ATOM 1069 CD1 PHE A 69 6.584 0.384 1.617 1.00 63.34 C ATOM 1070 CD2 PHE A 69 5.693 1.170 3.698 1.00 34.41 C ATOM 1071 CE1 PHE A 69 5.723 1.217 0.933 1.00 2.43 C ATOM 1072 CE2 PHE A 69 4.837 2.000 3.009 1.00 42.35 C ATOM 1073 CZ PHE A 69 4.849 2.020 1.627 1.00 5.20 C ATOM 0 H PHE A 69 9.482 -1.851 4.743 1.00 43.01 H new ATOM 0 HA PHE A 69 9.327 0.492 3.144 1.00 3.33 H new ATOM 0 HB2 PHE A 69 7.713 -1.487 3.173 1.00 33.30 H new ATOM 0 HB3 PHE A 69 7.098 -0.891 4.702 1.00 33.30 H new ATOM 0 HD1 PHE A 69 7.265 -0.246 1.064 1.00 63.34 H new ATOM 0 HD2 PHE A 69 5.672 1.158 4.778 1.00 34.41 H new ATOM 0 HE1 PHE A 69 5.735 1.238 -0.147 1.00 2.43 H new ATOM 0 HE2 PHE A 69 4.154 2.638 3.550 1.00 42.35 H new ATOM 0 HZ PHE A 69 4.171 2.668 1.091 1.00 5.20 H new ATOM 1083 N GLN A 70 8.633 0.769 6.372 1.00 13.23 N ATOM 1084 CA GLN A 70 8.340 1.692 7.474 1.00 51.41 C ATOM 1085 C GLN A 70 9.541 2.595 7.775 1.00 61.13 C ATOM 1086 O GLN A 70 9.393 3.821 7.812 1.00 54.33 O ATOM 1087 CB GLN A 70 7.899 0.896 8.723 1.00 63.43 C ATOM 1088 CG GLN A 70 6.617 0.074 8.500 1.00 41.10 C ATOM 1089 CD GLN A 70 6.208 -0.723 9.725 1.00 13.15 C ATOM 1090 OE1 GLN A 70 6.663 -1.844 9.926 1.00 40.30 O ATOM 1091 NE2 GLN A 70 5.353 -0.154 10.556 1.00 70.44 N ATOM 0 H GLN A 70 8.706 -0.206 6.662 1.00 13.23 H new ATOM 0 HA GLN A 70 7.519 2.345 7.176 1.00 51.41 H new ATOM 0 HB2 GLN A 70 8.705 0.225 9.021 1.00 63.43 H new ATOM 0 HB3 GLN A 70 7.739 1.589 9.549 1.00 63.43 H new ATOM 0 HG2 GLN A 70 5.805 0.745 8.221 1.00 41.10 H new ATOM 0 HG3 GLN A 70 6.769 -0.608 7.663 1.00 41.10 H new ATOM 0 HE21 GLN A 70 4.994 0.780 10.358 1.00 70.44 H new ATOM 0 HE22 GLN A 70 5.052 -0.649 11.396 1.00 70.44 H new ATOM 1100 N ASN A 71 10.731 1.971 7.955 1.00 51.15 N ATOM 1101 CA ASN A 71 11.984 2.693 8.252 1.00 14.23 C ATOM 1102 C ASN A 71 12.343 3.639 7.107 1.00 41.13 C ATOM 1103 O ASN A 71 12.549 4.830 7.358 1.00 52.01 O ATOM 1104 CB ASN A 71 13.166 1.734 8.584 1.00 52.23 C ATOM 1105 CG ASN A 71 13.071 1.150 9.999 1.00 13.22 C ATOM 1106 OD1 ASN A 71 13.522 1.769 10.968 1.00 55.13 O ATOM 1107 ND2 ASN A 71 12.486 -0.026 10.141 1.00 14.45 N ATOM 0 H ASN A 71 10.845 0.959 7.898 1.00 51.15 H new ATOM 0 HA ASN A 71 11.807 3.285 9.150 1.00 14.23 H new ATOM 0 HB2 ASN A 71 13.183 0.920 7.859 1.00 52.23 H new ATOM 0 HB3 ASN A 71 14.107 2.274 8.480 1.00 52.23 H new ATOM 0 HD21 ASN A 71 12.398 -0.443 11.068 1.00 14.45 H new ATOM 0 HD22 ASN A 71 12.122 -0.516 9.324 1.00 14.45 H new ATOM 1114 N GLU A 72 12.366 3.120 5.850 1.00 12.22 N ATOM 1115 CA GLU A 72 12.685 3.944 4.668 1.00 54.13 C ATOM 1116 C GLU A 72 11.688 5.095 4.514 1.00 14.21 C ATOM 1117 O GLU A 72 12.110 6.231 4.458 1.00 62.31 O ATOM 1118 CB GLU A 72 12.793 3.120 3.350 1.00 62.10 C ATOM 1119 CG GLU A 72 14.093 2.296 3.209 1.00 71.34 C ATOM 1120 CD GLU A 72 15.368 3.164 3.303 1.00 44.41 C ATOM 1121 OE1 GLU A 72 15.598 4.023 2.416 1.00 13.51 O ATOM 1122 OE2 GLU A 72 16.156 2.996 4.260 1.00 14.22 O ATOM 0 H GLU A 72 12.168 2.142 5.637 1.00 12.22 H new ATOM 0 HA GLU A 72 13.676 4.360 4.849 1.00 54.13 H new ATOM 0 HB2 GLU A 72 11.941 2.443 3.290 1.00 62.10 H new ATOM 0 HB3 GLU A 72 12.718 3.803 2.503 1.00 62.10 H new ATOM 0 HG2 GLU A 72 14.120 1.534 3.988 1.00 71.34 H new ATOM 0 HG3 GLU A 72 14.084 1.774 2.252 1.00 71.34 H new ATOM 1129 N ALA A 73 10.373 4.801 4.519 1.00 41.22 N ATOM 1130 CA ALA A 73 9.323 5.825 4.306 1.00 34.43 C ATOM 1131 C ALA A 73 9.492 7.022 5.268 1.00 21.22 C ATOM 1132 O ALA A 73 9.567 8.163 4.808 1.00 53.14 O ATOM 1133 CB ALA A 73 7.911 5.218 4.419 1.00 61.33 C ATOM 0 H ALA A 73 10.009 3.860 4.669 1.00 41.22 H new ATOM 0 HA ALA A 73 9.442 6.200 3.290 1.00 34.43 H new ATOM 0 HB1 ALA A 73 7.166 5.997 4.257 1.00 61.33 H new ATOM 0 HB2 ALA A 73 7.789 4.438 3.668 1.00 61.33 H new ATOM 0 HB3 ALA A 73 7.778 4.789 5.412 1.00 61.33 H new ATOM 1139 N LYS A 74 9.637 6.749 6.588 1.00 42.42 N ATOM 1140 CA LYS A 74 9.736 7.823 7.601 1.00 5.03 C ATOM 1141 C LYS A 74 11.024 8.666 7.425 1.00 64.14 C ATOM 1142 O LYS A 74 10.963 9.899 7.500 1.00 13.05 O ATOM 1143 CB LYS A 74 9.576 7.271 9.061 1.00 40.51 C ATOM 1144 CG LYS A 74 10.578 6.181 9.543 1.00 34.32 C ATOM 1145 CD LYS A 74 11.916 6.729 10.107 1.00 31.12 C ATOM 1146 CE LYS A 74 11.729 7.669 11.312 1.00 74.52 C ATOM 1147 NZ LYS A 74 13.019 8.191 11.820 1.00 21.34 N ATOM 0 H LYS A 74 9.687 5.805 6.971 1.00 42.42 H new ATOM 0 HA LYS A 74 8.897 8.499 7.433 1.00 5.03 H new ATOM 0 HB2 LYS A 74 9.645 8.115 9.747 1.00 40.51 H new ATOM 0 HB3 LYS A 74 8.569 6.865 9.156 1.00 40.51 H new ATOM 0 HG2 LYS A 74 10.095 5.579 10.313 1.00 34.32 H new ATOM 0 HG3 LYS A 74 10.798 5.515 8.708 1.00 34.32 H new ATOM 0 HD2 LYS A 74 12.548 5.892 10.403 1.00 31.12 H new ATOM 0 HD3 LYS A 74 12.444 7.263 9.317 1.00 31.12 H new ATOM 0 HE2 LYS A 74 11.090 8.503 11.024 1.00 74.52 H new ATOM 0 HE3 LYS A 74 11.215 7.135 12.111 1.00 74.52 H new ATOM 0 HZ1 LYS A 74 12.844 8.819 12.631 1.00 21.34 H new ATOM 0 HZ2 LYS A 74 13.621 7.397 12.120 1.00 21.34 H new ATOM 0 HZ3 LYS A 74 13.499 8.724 11.067 1.00 21.34 H new ATOM 1161 N LYS A 75 12.181 8.005 7.156 1.00 20.12 N ATOM 1162 CA LYS A 75 13.483 8.719 7.014 1.00 43.42 C ATOM 1163 C LYS A 75 13.586 9.444 5.659 1.00 51.04 C ATOM 1164 O LYS A 75 14.367 10.391 5.513 1.00 53.42 O ATOM 1165 CB LYS A 75 14.689 7.753 7.204 1.00 34.51 C ATOM 1166 CG LYS A 75 14.770 6.614 6.172 1.00 41.12 C ATOM 1167 CD LYS A 75 15.987 5.670 6.373 1.00 65.32 C ATOM 1168 CE LYS A 75 17.235 6.155 5.625 1.00 5.14 C ATOM 1169 NZ LYS A 75 16.994 6.188 4.157 1.00 21.24 N ATOM 0 H LYS A 75 12.242 6.994 7.034 1.00 20.12 H new ATOM 0 HA LYS A 75 13.520 9.469 7.804 1.00 43.42 H new ATOM 0 HB2 LYS A 75 15.611 8.332 7.159 1.00 34.51 H new ATOM 0 HB3 LYS A 75 14.635 7.318 8.202 1.00 34.51 H new ATOM 0 HG2 LYS A 75 13.854 6.026 6.222 1.00 41.12 H new ATOM 0 HG3 LYS A 75 14.818 7.045 5.172 1.00 41.12 H new ATOM 0 HD2 LYS A 75 16.212 5.593 7.437 1.00 65.32 H new ATOM 0 HD3 LYS A 75 15.727 4.669 6.029 1.00 65.32 H new ATOM 0 HE2 LYS A 75 17.510 7.150 5.975 1.00 5.14 H new ATOM 0 HE3 LYS A 75 18.075 5.496 5.845 1.00 5.14 H new ATOM 0 HZ1 LYS A 75 17.868 5.930 3.656 1.00 21.24 H new ATOM 0 HZ2 LYS A 75 16.243 5.512 3.913 1.00 21.24 H new ATOM 0 HZ3 LYS A 75 16.703 7.146 3.874 1.00 21.24 H new ATOM 1183 N GLU A 76 12.780 9.004 4.680 1.00 33.53 N ATOM 1184 CA GLU A 76 12.768 9.577 3.326 1.00 33.13 C ATOM 1185 C GLU A 76 11.646 10.622 3.177 1.00 0.50 C ATOM 1186 O GLU A 76 11.386 11.084 2.068 1.00 22.54 O ATOM 1187 CB GLU A 76 12.623 8.437 2.278 1.00 51.12 C ATOM 1188 CG GLU A 76 13.793 7.416 2.256 1.00 31.44 C ATOM 1189 CD GLU A 76 15.163 8.025 1.914 1.00 71.50 C ATOM 1190 OE1 GLU A 76 15.847 8.556 2.819 1.00 74.13 O ATOM 1191 OE2 GLU A 76 15.565 7.981 0.736 1.00 44.11 O ATOM 0 H GLU A 76 12.117 8.239 4.806 1.00 33.53 H new ATOM 0 HA GLU A 76 13.712 10.093 3.151 1.00 33.13 H new ATOM 0 HB2 GLU A 76 11.695 7.900 2.473 1.00 51.12 H new ATOM 0 HB3 GLU A 76 12.531 8.883 1.288 1.00 51.12 H new ATOM 0 HG2 GLU A 76 13.857 6.934 3.232 1.00 31.44 H new ATOM 0 HG3 GLU A 76 13.565 6.636 1.530 1.00 31.44 H new ATOM 1198 N GLY A 77 10.972 10.970 4.297 1.00 75.23 N ATOM 1199 CA GLY A 77 9.990 12.070 4.324 1.00 74.33 C ATOM 1200 C GLY A 77 8.579 11.662 3.913 1.00 34.33 C ATOM 1201 O GLY A 77 7.662 12.498 3.924 1.00 22.24 O ATOM 0 H GLY A 77 11.093 10.501 5.195 1.00 75.23 H new ATOM 0 HA2 GLY A 77 9.956 12.487 5.331 1.00 74.33 H new ATOM 0 HA3 GLY A 77 10.333 12.864 3.661 1.00 74.33 H new ATOM 1205 N VAL A 78 8.410 10.385 3.539 1.00 13.23 N ATOM 1206 CA VAL A 78 7.117 9.818 3.148 1.00 35.22 C ATOM 1207 C VAL A 78 6.292 9.461 4.405 1.00 25.01 C ATOM 1208 O VAL A 78 6.696 8.619 5.212 1.00 11.00 O ATOM 1209 CB VAL A 78 7.303 8.543 2.248 1.00 64.32 C ATOM 1210 CG1 VAL A 78 5.939 7.898 1.900 1.00 73.23 C ATOM 1211 CG2 VAL A 78 8.112 8.883 0.966 1.00 63.33 C ATOM 0 H VAL A 78 9.176 9.713 3.500 1.00 13.23 H new ATOM 0 HA VAL A 78 6.582 10.569 2.566 1.00 35.22 H new ATOM 0 HB VAL A 78 7.874 7.810 2.818 1.00 64.32 H new ATOM 0 HG11 VAL A 78 6.101 7.019 1.277 1.00 73.23 H new ATOM 0 HG12 VAL A 78 5.431 7.603 2.818 1.00 73.23 H new ATOM 0 HG13 VAL A 78 5.324 8.617 1.360 1.00 73.23 H new ATOM 0 HG21 VAL A 78 8.227 7.985 0.360 1.00 63.33 H new ATOM 0 HG22 VAL A 78 7.582 9.643 0.392 1.00 63.33 H new ATOM 0 HG23 VAL A 78 9.095 9.261 1.246 1.00 63.33 H new ATOM 1221 N SER A 79 5.139 10.121 4.556 1.00 32.23 N ATOM 1222 CA SER A 79 4.209 9.880 5.661 1.00 51.20 C ATOM 1223 C SER A 79 3.342 8.650 5.345 1.00 70.02 C ATOM 1224 O SER A 79 2.311 8.758 4.675 1.00 23.21 O ATOM 1225 CB SER A 79 3.344 11.138 5.885 1.00 34.31 C ATOM 1226 OG SER A 79 4.158 12.280 6.113 1.00 55.54 O ATOM 0 H SER A 79 4.824 10.843 3.909 1.00 32.23 H new ATOM 0 HA SER A 79 4.760 9.677 6.579 1.00 51.20 H new ATOM 0 HB2 SER A 79 2.709 11.307 5.015 1.00 34.31 H new ATOM 0 HB3 SER A 79 2.682 10.982 6.737 1.00 34.31 H new ATOM 0 HG SER A 79 3.588 13.066 6.251 1.00 55.54 H new ATOM 1232 N TYR A 80 3.804 7.473 5.785 1.00 3.45 N ATOM 1233 CA TYR A 80 3.092 6.204 5.546 1.00 22.31 C ATOM 1234 C TYR A 80 2.001 5.997 6.612 1.00 2.10 C ATOM 1235 O TYR A 80 2.107 6.501 7.736 1.00 24.11 O ATOM 1236 CB TYR A 80 4.085 5.007 5.501 1.00 72.42 C ATOM 1237 CG TYR A 80 4.781 4.673 6.832 1.00 51.14 C ATOM 1238 CD1 TYR A 80 5.828 5.459 7.326 1.00 43.42 C ATOM 1239 CD2 TYR A 80 4.386 3.573 7.598 1.00 41.44 C ATOM 1240 CE1 TYR A 80 6.444 5.160 8.522 1.00 62.11 C ATOM 1241 CE2 TYR A 80 5.000 3.280 8.793 1.00 65.24 C ATOM 1242 CZ TYR A 80 6.027 4.073 9.250 1.00 3.33 C ATOM 1243 OH TYR A 80 6.636 3.770 10.445 1.00 14.11 O ATOM 0 H TYR A 80 4.672 7.370 6.311 1.00 3.45 H new ATOM 0 HA TYR A 80 2.606 6.255 4.572 1.00 22.31 H new ATOM 0 HB2 TYR A 80 3.546 4.123 5.161 1.00 72.42 H new ATOM 0 HB3 TYR A 80 4.850 5.220 4.754 1.00 72.42 H new ATOM 0 HD1 TYR A 80 6.160 6.316 6.759 1.00 43.42 H new ATOM 0 HD2 TYR A 80 3.584 2.942 7.245 1.00 41.44 H new ATOM 0 HE1 TYR A 80 7.252 5.778 8.885 1.00 62.11 H new ATOM 0 HE2 TYR A 80 4.676 2.428 9.372 1.00 65.24 H new ATOM 0 HH TYR A 80 6.219 2.971 10.831 1.00 14.11 H new ATOM 1253 N ASP A 81 0.955 5.262 6.237 1.00 40.23 N ATOM 1254 CA ASP A 81 -0.201 4.982 7.099 1.00 34.04 C ATOM 1255 C ASP A 81 -0.396 3.465 7.116 1.00 65.34 C ATOM 1256 O ASP A 81 -0.597 2.855 6.063 1.00 63.23 O ATOM 1257 CB ASP A 81 -1.456 5.707 6.547 1.00 13.01 C ATOM 1258 CG ASP A 81 -2.601 5.790 7.569 1.00 24.33 C ATOM 1259 OD1 ASP A 81 -2.626 6.767 8.355 1.00 63.32 O ATOM 1260 OD2 ASP A 81 -3.470 4.890 7.604 1.00 70.10 O ATOM 0 H ASP A 81 0.882 4.836 5.313 1.00 40.23 H new ATOM 0 HA ASP A 81 -0.038 5.345 8.114 1.00 34.04 H new ATOM 0 HB2 ASP A 81 -1.179 6.715 6.237 1.00 13.01 H new ATOM 0 HB3 ASP A 81 -1.808 5.185 5.657 1.00 13.01 H new ATOM 1265 N VAL A 82 -0.339 2.869 8.308 1.00 51.15 N ATOM 1266 CA VAL A 82 -0.252 1.407 8.461 1.00 51.11 C ATOM 1267 C VAL A 82 -1.658 0.801 8.590 1.00 31.54 C ATOM 1268 O VAL A 82 -2.432 1.185 9.470 1.00 45.31 O ATOM 1269 CB VAL A 82 0.625 0.998 9.702 1.00 22.02 C ATOM 1270 CG1 VAL A 82 0.901 -0.525 9.721 1.00 71.15 C ATOM 1271 CG2 VAL A 82 1.946 1.800 9.746 1.00 45.32 C ATOM 0 H VAL A 82 -0.351 3.378 9.192 1.00 51.15 H new ATOM 0 HA VAL A 82 0.233 1.013 7.567 1.00 51.11 H new ATOM 0 HB VAL A 82 0.055 1.244 10.598 1.00 22.02 H new ATOM 0 HG11 VAL A 82 1.509 -0.774 10.591 1.00 71.15 H new ATOM 0 HG12 VAL A 82 -0.044 -1.065 9.773 1.00 71.15 H new ATOM 0 HG13 VAL A 82 1.433 -0.810 8.813 1.00 71.15 H new ATOM 0 HG21 VAL A 82 2.529 1.494 10.615 1.00 45.32 H new ATOM 0 HG22 VAL A 82 2.519 1.608 8.839 1.00 45.32 H new ATOM 0 HG23 VAL A 82 1.723 2.865 9.815 1.00 45.32 H new ATOM 1281 N LEU A 83 -1.967 -0.153 7.703 1.00 43.24 N ATOM 1282 CA LEU A 83 -3.254 -0.854 7.661 1.00 2.32 C ATOM 1283 C LEU A 83 -2.998 -2.361 7.521 1.00 3.25 C ATOM 1284 O LEU A 83 -2.320 -2.787 6.596 1.00 4.22 O ATOM 1285 CB LEU A 83 -4.095 -0.338 6.460 1.00 23.54 C ATOM 1286 CG LEU A 83 -5.450 -1.079 6.190 1.00 55.41 C ATOM 1287 CD1 LEU A 83 -6.467 -0.866 7.337 1.00 65.02 C ATOM 1288 CD2 LEU A 83 -6.031 -0.672 4.824 1.00 52.22 C ATOM 0 H LEU A 83 -1.317 -0.464 6.981 1.00 43.24 H new ATOM 0 HA LEU A 83 -3.808 -0.665 8.580 1.00 2.32 H new ATOM 0 HB2 LEU A 83 -4.309 0.718 6.622 1.00 23.54 H new ATOM 0 HB3 LEU A 83 -3.483 -0.405 5.560 1.00 23.54 H new ATOM 0 HG LEU A 83 -5.242 -2.148 6.158 1.00 55.41 H new ATOM 0 HD11 LEU A 83 -7.391 -1.397 7.107 1.00 65.02 H new ATOM 0 HD12 LEU A 83 -6.050 -1.249 8.269 1.00 65.02 H new ATOM 0 HD13 LEU A 83 -6.677 0.198 7.444 1.00 65.02 H new ATOM 0 HD21 LEU A 83 -6.971 -1.198 4.657 1.00 52.22 H new ATOM 0 HD22 LEU A 83 -6.209 0.403 4.810 1.00 52.22 H new ATOM 0 HD23 LEU A 83 -5.325 -0.933 4.036 1.00 52.22 H new ATOM 1300 N LYS A 84 -3.489 -3.149 8.482 1.00 0.44 N ATOM 1301 CA LYS A 84 -3.547 -4.620 8.377 1.00 60.52 C ATOM 1302 C LYS A 84 -5.013 -5.048 8.440 1.00 44.51 C ATOM 1303 O LYS A 84 -5.714 -4.692 9.396 1.00 43.45 O ATOM 1304 CB LYS A 84 -2.751 -5.339 9.518 1.00 31.11 C ATOM 1305 CG LYS A 84 -1.212 -5.366 9.371 1.00 13.42 C ATOM 1306 CD LYS A 84 -0.545 -4.000 9.615 1.00 14.03 C ATOM 1307 CE LYS A 84 -0.731 -3.499 11.054 1.00 63.42 C ATOM 1308 NZ LYS A 84 -0.177 -4.451 12.051 1.00 34.50 N ATOM 0 H LYS A 84 -3.860 -2.788 9.361 1.00 0.44 H new ATOM 0 HA LYS A 84 -3.085 -4.909 7.433 1.00 60.52 H new ATOM 0 HB2 LYS A 84 -2.995 -4.854 10.463 1.00 31.11 H new ATOM 0 HB3 LYS A 84 -3.106 -6.367 9.586 1.00 31.11 H new ATOM 0 HG2 LYS A 84 -0.801 -6.092 10.073 1.00 13.42 H new ATOM 0 HG3 LYS A 84 -0.957 -5.712 8.369 1.00 13.42 H new ATOM 0 HD2 LYS A 84 0.520 -4.076 9.396 1.00 14.03 H new ATOM 0 HD3 LYS A 84 -0.961 -3.268 8.923 1.00 14.03 H new ATOM 0 HE2 LYS A 84 -0.243 -2.531 11.167 1.00 63.42 H new ATOM 0 HE3 LYS A 84 -1.792 -3.345 11.250 1.00 63.42 H new ATOM 0 HZ1 LYS A 84 -0.153 -3.998 12.987 1.00 34.50 H new ATOM 0 HZ2 LYS A 84 -0.777 -5.299 12.092 1.00 34.50 H new ATOM 0 HZ3 LYS A 84 0.788 -4.723 11.773 1.00 34.50 H new ATOM 1322 N SER A 85 -5.464 -5.783 7.416 1.00 53.43 N ATOM 1323 CA SER A 85 -6.800 -6.403 7.386 1.00 51.55 C ATOM 1324 C SER A 85 -6.863 -7.411 6.234 1.00 4.01 C ATOM 1325 O SER A 85 -6.200 -7.238 5.202 1.00 62.14 O ATOM 1326 CB SER A 85 -7.932 -5.351 7.244 1.00 52.55 C ATOM 1327 OG SER A 85 -9.215 -5.963 7.170 1.00 30.25 O ATOM 0 H SER A 85 -4.911 -5.967 6.579 1.00 53.43 H new ATOM 0 HA SER A 85 -6.957 -6.912 8.337 1.00 51.55 H new ATOM 0 HB2 SER A 85 -7.903 -4.669 8.094 1.00 52.55 H new ATOM 0 HB3 SER A 85 -7.762 -4.753 6.349 1.00 52.55 H new ATOM 0 HG SER A 85 -9.650 -5.917 8.047 1.00 30.25 H new ATOM 1333 N THR A 86 -7.652 -8.470 6.428 1.00 64.40 N ATOM 1334 CA THR A 86 -7.854 -9.534 5.439 1.00 23.15 C ATOM 1335 C THR A 86 -9.313 -9.544 4.935 1.00 24.21 C ATOM 1336 O THR A 86 -9.719 -10.474 4.230 1.00 41.21 O ATOM 1337 CB THR A 86 -7.461 -10.919 6.064 1.00 0.43 C ATOM 1338 OG1 THR A 86 -8.240 -11.160 7.249 1.00 53.31 O ATOM 1339 CG2 THR A 86 -5.961 -10.985 6.426 1.00 2.02 C ATOM 0 H THR A 86 -8.177 -8.616 7.290 1.00 64.40 H new ATOM 0 HA THR A 86 -7.212 -9.346 4.579 1.00 23.15 H new ATOM 0 HB THR A 86 -7.665 -11.683 5.314 1.00 0.43 H new ATOM 0 HG1 THR A 86 -7.991 -12.027 7.633 1.00 53.31 H new ATOM 0 HG21 THR A 86 -5.733 -11.961 6.855 1.00 2.02 H new ATOM 0 HG22 THR A 86 -5.363 -10.835 5.527 1.00 2.02 H new ATOM 0 HG23 THR A 86 -5.727 -10.206 7.151 1.00 2.02 H new ATOM 1347 N ASP A 87 -10.095 -8.489 5.275 1.00 4.42 N ATOM 1348 CA ASP A 87 -11.500 -8.350 4.834 1.00 61.14 C ATOM 1349 C ASP A 87 -11.555 -7.523 3.536 1.00 72.20 C ATOM 1350 O ASP A 87 -10.982 -6.423 3.500 1.00 62.23 O ATOM 1351 CB ASP A 87 -12.375 -7.649 5.914 1.00 55.14 C ATOM 1352 CG ASP A 87 -12.342 -8.353 7.275 1.00 65.43 C ATOM 1353 OD1 ASP A 87 -12.997 -9.405 7.429 1.00 11.01 O ATOM 1354 OD2 ASP A 87 -11.644 -7.873 8.190 1.00 44.42 O ATOM 0 H ASP A 87 -9.770 -7.718 5.858 1.00 4.42 H new ATOM 0 HA ASP A 87 -11.895 -9.352 4.667 1.00 61.14 H new ATOM 0 HB2 ASP A 87 -12.034 -6.621 6.037 1.00 55.14 H new ATOM 0 HB3 ASP A 87 -13.406 -7.603 5.562 1.00 55.14 H new ATOM 1359 N PRO A 88 -12.223 -8.038 2.445 1.00 61.34 N ATOM 1360 CA PRO A 88 -12.430 -7.272 1.187 1.00 12.51 C ATOM 1361 C PRO A 88 -13.098 -5.907 1.426 1.00 21.53 C ATOM 1362 O PRO A 88 -12.582 -4.875 0.978 1.00 73.41 O ATOM 1363 CB PRO A 88 -13.347 -8.188 0.334 1.00 73.41 C ATOM 1364 CG PRO A 88 -13.149 -9.565 0.879 1.00 2.30 C ATOM 1365 CD PRO A 88 -12.794 -9.409 2.349 1.00 71.23 C ATOM 0 HA PRO A 88 -11.481 -7.039 0.704 1.00 12.51 H new ATOM 0 HB2 PRO A 88 -14.390 -7.881 0.411 1.00 73.41 H new ATOM 0 HB3 PRO A 88 -13.078 -8.141 -0.721 1.00 73.41 H new ATOM 0 HG2 PRO A 88 -14.054 -10.161 0.761 1.00 2.30 H new ATOM 0 HG3 PRO A 88 -12.354 -10.083 0.342 1.00 2.30 H new ATOM 0 HD2 PRO A 88 -13.673 -9.520 2.984 1.00 71.23 H new ATOM 0 HD3 PRO A 88 -12.074 -10.163 2.667 1.00 71.23 H new ATOM 1373 N GLU A 89 -14.233 -5.929 2.165 1.00 1.22 N ATOM 1374 CA GLU A 89 -15.051 -4.726 2.432 1.00 11.21 C ATOM 1375 C GLU A 89 -14.224 -3.638 3.159 1.00 71.52 C ATOM 1376 O GLU A 89 -14.308 -2.446 2.816 1.00 55.14 O ATOM 1377 CB GLU A 89 -16.327 -5.095 3.256 1.00 22.32 C ATOM 1378 CG GLU A 89 -16.074 -5.528 4.725 1.00 22.14 C ATOM 1379 CD GLU A 89 -17.351 -5.965 5.470 1.00 2.44 C ATOM 1380 OE1 GLU A 89 -18.052 -5.102 6.043 1.00 55.45 O ATOM 1381 OE2 GLU A 89 -17.673 -7.173 5.464 1.00 14.04 O ATOM 0 H GLU A 89 -14.604 -6.778 2.590 1.00 1.22 H new ATOM 0 HA GLU A 89 -15.370 -4.319 1.472 1.00 11.21 H new ATOM 0 HB2 GLU A 89 -16.997 -4.235 3.260 1.00 22.32 H new ATOM 0 HB3 GLU A 89 -16.848 -5.903 2.742 1.00 22.32 H new ATOM 0 HG2 GLU A 89 -15.359 -6.351 4.734 1.00 22.14 H new ATOM 0 HG3 GLU A 89 -15.614 -4.700 5.265 1.00 22.14 H new ATOM 1388 N GLU A 90 -13.384 -4.086 4.116 1.00 52.12 N ATOM 1389 CA GLU A 90 -12.574 -3.203 4.950 1.00 0.24 C ATOM 1390 C GLU A 90 -11.542 -2.486 4.085 1.00 74.23 C ATOM 1391 O GLU A 90 -11.540 -1.268 4.006 1.00 51.21 O ATOM 1392 CB GLU A 90 -11.863 -4.007 6.066 1.00 35.32 C ATOM 1393 CG GLU A 90 -11.054 -3.149 7.069 1.00 71.12 C ATOM 1394 CD GLU A 90 -11.953 -2.315 7.999 1.00 11.41 C ATOM 1395 OE1 GLU A 90 -12.447 -1.248 7.582 1.00 14.32 O ATOM 1396 OE2 GLU A 90 -12.185 -2.734 9.155 1.00 45.14 O ATOM 0 H GLU A 90 -13.255 -5.076 4.325 1.00 52.12 H new ATOM 0 HA GLU A 90 -13.227 -2.467 5.419 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -12.611 -4.576 6.617 1.00 35.32 H new ATOM 0 HB3 GLU A 90 -11.191 -4.729 5.602 1.00 35.32 H new ATOM 0 HG2 GLU A 90 -10.422 -3.801 7.671 1.00 71.12 H new ATOM 0 HG3 GLU A 90 -10.391 -2.482 6.518 1.00 71.12 H new ATOM 1403 N LEU A 91 -10.716 -3.274 3.383 1.00 71.03 N ATOM 1404 CA LEU A 91 -9.614 -2.752 2.564 1.00 15.04 C ATOM 1405 C LEU A 91 -10.130 -1.809 1.450 1.00 53.43 C ATOM 1406 O LEU A 91 -9.534 -0.755 1.215 1.00 12.13 O ATOM 1407 CB LEU A 91 -8.798 -3.926 1.962 1.00 24.32 C ATOM 1408 CG LEU A 91 -8.085 -4.878 2.973 1.00 44.32 C ATOM 1409 CD1 LEU A 91 -7.327 -6.011 2.239 1.00 40.25 C ATOM 1410 CD2 LEU A 91 -7.151 -4.091 3.915 1.00 12.41 C ATOM 0 H LEU A 91 -10.793 -4.291 3.367 1.00 71.03 H new ATOM 0 HA LEU A 91 -8.961 -2.163 3.208 1.00 15.04 H new ATOM 0 HB2 LEU A 91 -9.468 -4.525 1.346 1.00 24.32 H new ATOM 0 HB3 LEU A 91 -8.042 -3.509 1.297 1.00 24.32 H new ATOM 0 HG LEU A 91 -8.854 -5.346 3.588 1.00 44.32 H new ATOM 0 HD11 LEU A 91 -6.841 -6.657 2.970 1.00 40.25 H new ATOM 0 HD12 LEU A 91 -8.031 -6.597 1.649 1.00 40.25 H new ATOM 0 HD13 LEU A 91 -6.574 -5.578 1.581 1.00 40.25 H new ATOM 0 HD21 LEU A 91 -6.668 -4.780 4.608 1.00 12.41 H new ATOM 0 HD22 LEU A 91 -6.391 -3.576 3.327 1.00 12.41 H new ATOM 0 HD23 LEU A 91 -7.733 -3.360 4.477 1.00 12.41 H new ATOM 1422 N THR A 92 -11.268 -2.189 0.811 1.00 44.44 N ATOM 1423 CA THR A 92 -11.873 -1.430 -0.308 1.00 65.23 C ATOM 1424 C THR A 92 -12.339 -0.041 0.146 1.00 42.05 C ATOM 1425 O THR A 92 -12.094 0.962 -0.555 1.00 70.11 O ATOM 1426 CB THR A 92 -13.055 -2.224 -0.974 1.00 20.30 C ATOM 1427 OG1 THR A 92 -12.561 -3.484 -1.459 1.00 73.34 O ATOM 1428 CG2 THR A 92 -13.704 -1.462 -2.149 1.00 61.32 C ATOM 0 H THR A 92 -11.789 -3.030 1.060 1.00 44.44 H new ATOM 0 HA THR A 92 -11.096 -1.296 -1.061 1.00 65.23 H new ATOM 0 HB THR A 92 -13.820 -2.363 -0.210 1.00 20.30 H new ATOM 0 HG1 THR A 92 -12.619 -4.154 -0.746 1.00 73.34 H new ATOM 0 HG21 THR A 92 -14.513 -2.060 -2.568 1.00 61.32 H new ATOM 0 HG22 THR A 92 -14.102 -0.513 -1.791 1.00 61.32 H new ATOM 0 HG23 THR A 92 -12.955 -1.274 -2.919 1.00 61.32 H new ATOM 1436 N GLN A 93 -12.988 0.028 1.331 1.00 31.35 N ATOM 1437 CA GLN A 93 -13.446 1.311 1.880 1.00 72.20 C ATOM 1438 C GLN A 93 -12.227 2.158 2.316 1.00 73.14 C ATOM 1439 O GLN A 93 -12.230 3.363 2.130 1.00 3.33 O ATOM 1440 CB GLN A 93 -14.489 1.119 3.036 1.00 32.42 C ATOM 1441 CG GLN A 93 -13.938 0.669 4.422 1.00 43.21 C ATOM 1442 CD GLN A 93 -13.929 1.779 5.480 1.00 33.22 C ATOM 1443 OE1 GLN A 93 -14.891 1.952 6.232 1.00 41.24 O ATOM 1444 NE2 GLN A 93 -12.858 2.555 5.534 1.00 72.14 N ATOM 0 H GLN A 93 -13.201 -0.782 1.914 1.00 31.35 H new ATOM 0 HA GLN A 93 -13.974 1.855 1.097 1.00 72.20 H new ATOM 0 HB2 GLN A 93 -15.020 2.061 3.173 1.00 32.42 H new ATOM 0 HB3 GLN A 93 -15.224 0.384 2.709 1.00 32.42 H new ATOM 0 HG2 GLN A 93 -14.540 -0.163 4.788 1.00 43.21 H new ATOM 0 HG3 GLN A 93 -12.922 0.295 4.294 1.00 43.21 H new ATOM 0 HE21 GLN A 93 -12.076 2.390 4.900 1.00 72.14 H new ATOM 0 HE22 GLN A 93 -12.815 3.318 6.209 1.00 72.14 H new ATOM 1453 N ARG A 94 -11.157 1.506 2.839 1.00 22.01 N ATOM 1454 CA ARG A 94 -9.931 2.218 3.285 1.00 44.44 C ATOM 1455 C ARG A 94 -9.209 2.910 2.116 1.00 34.21 C ATOM 1456 O ARG A 94 -8.593 3.954 2.319 1.00 42.42 O ATOM 1457 CB ARG A 94 -8.955 1.267 4.023 1.00 5.44 C ATOM 1458 CG ARG A 94 -9.527 0.639 5.310 1.00 1.45 C ATOM 1459 CD ARG A 94 -9.824 1.662 6.421 1.00 73.11 C ATOM 1460 NE ARG A 94 -10.665 1.063 7.470 1.00 71.40 N ATOM 1461 CZ ARG A 94 -11.186 1.702 8.528 1.00 44.02 C ATOM 1462 NH1 ARG A 94 -10.957 2.994 8.732 1.00 33.21 N ATOM 1463 NH2 ARG A 94 -11.971 1.036 9.359 1.00 74.34 N ATOM 0 H ARG A 94 -11.118 0.494 2.962 1.00 22.01 H new ATOM 0 HA ARG A 94 -10.259 2.988 3.984 1.00 44.44 H new ATOM 0 HB2 ARG A 94 -8.662 0.467 3.342 1.00 5.44 H new ATOM 0 HB3 ARG A 94 -8.050 1.819 4.274 1.00 5.44 H new ATOM 0 HG2 ARG A 94 -10.445 0.105 5.066 1.00 1.45 H new ATOM 0 HG3 ARG A 94 -8.820 -0.099 5.688 1.00 1.45 H new ATOM 0 HD2 ARG A 94 -8.889 2.016 6.856 1.00 73.11 H new ATOM 0 HD3 ARG A 94 -10.327 2.531 5.997 1.00 73.11 H new ATOM 0 HE ARG A 94 -10.871 0.068 7.384 1.00 71.40 H new ATOM 0 HH11 ARG A 94 -10.376 3.518 8.078 1.00 33.21 H new ATOM 0 HH12 ARG A 94 -11.362 3.462 9.543 1.00 33.21 H new ATOM 0 HH21 ARG A 94 -12.173 0.050 9.191 1.00 74.34 H new ATOM 0 HH22 ARG A 94 -12.375 1.508 10.168 1.00 74.34 H new ATOM 1477 N VAL A 95 -9.288 2.312 0.899 1.00 35.30 N ATOM 1478 CA VAL A 95 -8.696 2.900 -0.317 1.00 54.14 C ATOM 1479 C VAL A 95 -9.363 4.251 -0.633 1.00 32.13 C ATOM 1480 O VAL A 95 -8.672 5.257 -0.764 1.00 21.14 O ATOM 1481 CB VAL A 95 -8.795 1.948 -1.570 1.00 4.40 C ATOM 1482 CG1 VAL A 95 -8.208 2.618 -2.843 1.00 74.23 C ATOM 1483 CG2 VAL A 95 -8.095 0.591 -1.299 1.00 22.21 C ATOM 0 H VAL A 95 -9.758 1.421 0.741 1.00 35.30 H new ATOM 0 HA VAL A 95 -7.636 3.048 -0.110 1.00 54.14 H new ATOM 0 HB VAL A 95 -9.853 1.758 -1.748 1.00 4.40 H new ATOM 0 HG11 VAL A 95 -8.293 1.933 -3.687 1.00 74.23 H new ATOM 0 HG12 VAL A 95 -8.760 3.532 -3.061 1.00 74.23 H new ATOM 0 HG13 VAL A 95 -7.158 2.859 -2.676 1.00 74.23 H new ATOM 0 HG21 VAL A 95 -8.180 -0.044 -2.181 1.00 22.21 H new ATOM 0 HG22 VAL A 95 -7.042 0.763 -1.075 1.00 22.21 H new ATOM 0 HG23 VAL A 95 -8.571 0.099 -0.450 1.00 22.21 H new ATOM 1493 N ARG A 96 -10.716 4.267 -0.723 1.00 63.24 N ATOM 1494 CA ARG A 96 -11.468 5.490 -1.084 1.00 15.23 C ATOM 1495 C ARG A 96 -11.343 6.574 0.011 1.00 71.13 C ATOM 1496 O ARG A 96 -11.218 7.761 -0.315 1.00 41.35 O ATOM 1497 CB ARG A 96 -12.969 5.188 -1.406 1.00 1.25 C ATOM 1498 CG ARG A 96 -13.773 4.537 -0.263 1.00 5.04 C ATOM 1499 CD ARG A 96 -15.276 4.375 -0.569 1.00 64.30 C ATOM 1500 NE ARG A 96 -15.524 3.431 -1.674 1.00 13.52 N ATOM 1501 CZ ARG A 96 -16.684 2.798 -1.921 1.00 52.23 C ATOM 1502 NH1 ARG A 96 -17.746 2.977 -1.139 1.00 50.11 N ATOM 1503 NH2 ARG A 96 -16.781 2.003 -2.979 1.00 62.41 N ATOM 0 H ARG A 96 -11.304 3.451 -0.551 1.00 63.24 H new ATOM 0 HA ARG A 96 -11.015 5.879 -1.996 1.00 15.23 H new ATOM 0 HB2 ARG A 96 -13.458 6.121 -1.685 1.00 1.25 H new ATOM 0 HB3 ARG A 96 -13.012 4.533 -2.276 1.00 1.25 H new ATOM 0 HG2 ARG A 96 -13.349 3.557 -0.046 1.00 5.04 H new ATOM 0 HG3 ARG A 96 -13.659 5.140 0.638 1.00 5.04 H new ATOM 0 HD2 ARG A 96 -15.791 4.026 0.326 1.00 64.30 H new ATOM 0 HD3 ARG A 96 -15.700 5.347 -0.822 1.00 64.30 H new ATOM 0 HE ARG A 96 -14.747 3.241 -2.307 1.00 13.52 H new ATOM 0 HH11 ARG A 96 -17.688 3.603 -0.336 1.00 50.11 H new ATOM 0 HH12 ARG A 96 -18.618 2.488 -1.343 1.00 50.11 H new ATOM 0 HH21 ARG A 96 -15.979 1.876 -3.597 1.00 62.41 H new ATOM 0 HH22 ARG A 96 -17.657 1.519 -3.174 1.00 62.41 H new ATOM 1517 N GLU A 97 -11.345 6.153 1.304 1.00 21.10 N ATOM 1518 CA GLU A 97 -11.194 7.081 2.448 1.00 72.11 C ATOM 1519 C GLU A 97 -9.797 7.735 2.437 1.00 32.32 C ATOM 1520 O GLU A 97 -9.658 8.927 2.748 1.00 21.11 O ATOM 1521 CB GLU A 97 -11.431 6.364 3.816 1.00 35.22 C ATOM 1522 CG GLU A 97 -12.819 5.703 3.994 1.00 75.12 C ATOM 1523 CD GLU A 97 -14.011 6.629 3.701 1.00 62.21 C ATOM 1524 OE1 GLU A 97 -14.308 7.512 4.532 1.00 43.12 O ATOM 1525 OE2 GLU A 97 -14.660 6.479 2.638 1.00 43.01 O ATOM 0 H GLU A 97 -11.450 5.176 1.576 1.00 21.10 H new ATOM 0 HA GLU A 97 -11.955 7.853 2.336 1.00 72.11 H new ATOM 0 HB2 GLU A 97 -10.665 5.598 3.942 1.00 35.22 H new ATOM 0 HB3 GLU A 97 -11.290 7.091 4.616 1.00 35.22 H new ATOM 0 HG2 GLU A 97 -12.880 4.835 3.338 1.00 75.12 H new ATOM 0 HG3 GLU A 97 -12.904 5.336 5.017 1.00 75.12 H new ATOM 1532 N PHE A 98 -8.768 6.934 2.058 1.00 22.33 N ATOM 1533 CA PHE A 98 -7.379 7.404 1.968 1.00 61.51 C ATOM 1534 C PHE A 98 -7.228 8.395 0.808 1.00 21.30 C ATOM 1535 O PHE A 98 -6.705 9.481 1.006 1.00 61.43 O ATOM 1536 CB PHE A 98 -6.377 6.230 1.797 1.00 21.10 C ATOM 1537 CG PHE A 98 -4.922 6.691 1.609 1.00 22.14 C ATOM 1538 CD1 PHE A 98 -4.148 7.076 2.707 1.00 34.20 C ATOM 1539 CD2 PHE A 98 -4.340 6.762 0.335 1.00 44.20 C ATOM 1540 CE1 PHE A 98 -2.850 7.521 2.533 1.00 51.43 C ATOM 1541 CE2 PHE A 98 -3.048 7.205 0.172 1.00 55.04 C ATOM 1542 CZ PHE A 98 -2.302 7.582 1.266 1.00 13.55 C ATOM 0 H PHE A 98 -8.886 5.952 1.810 1.00 22.33 H new ATOM 0 HA PHE A 98 -7.144 7.905 2.907 1.00 61.51 H new ATOM 0 HB2 PHE A 98 -6.435 5.582 2.672 1.00 21.10 H new ATOM 0 HB3 PHE A 98 -6.674 5.631 0.937 1.00 21.10 H new ATOM 0 HD1 PHE A 98 -4.567 7.026 3.701 1.00 34.20 H new ATOM 0 HD2 PHE A 98 -4.914 6.465 -0.530 1.00 44.20 H new ATOM 0 HE1 PHE A 98 -2.264 7.821 3.389 1.00 51.43 H new ATOM 0 HE2 PHE A 98 -2.617 7.257 -0.817 1.00 55.04 H new ATOM 0 HZ PHE A 98 -1.287 7.926 1.134 1.00 13.55 H new ATOM 1552 N LEU A 99 -7.675 7.990 -0.402 1.00 22.32 N ATOM 1553 CA LEU A 99 -7.607 8.828 -1.621 1.00 74.12 C ATOM 1554 C LEU A 99 -8.321 10.178 -1.402 1.00 5.01 C ATOM 1555 O LEU A 99 -7.932 11.197 -1.977 1.00 72.40 O ATOM 1556 CB LEU A 99 -8.223 8.082 -2.847 1.00 52.34 C ATOM 1557 CG LEU A 99 -7.486 6.787 -3.326 1.00 72.02 C ATOM 1558 CD1 LEU A 99 -8.224 6.130 -4.517 1.00 5.43 C ATOM 1559 CD2 LEU A 99 -6.003 7.070 -3.671 1.00 14.54 C ATOM 0 H LEU A 99 -8.093 7.073 -0.561 1.00 22.32 H new ATOM 0 HA LEU A 99 -6.556 9.024 -1.831 1.00 74.12 H new ATOM 0 HB2 LEU A 99 -9.252 7.817 -2.602 1.00 52.34 H new ATOM 0 HB3 LEU A 99 -8.264 8.779 -3.684 1.00 52.34 H new ATOM 0 HG LEU A 99 -7.498 6.080 -2.497 1.00 72.02 H new ATOM 0 HD11 LEU A 99 -7.688 5.233 -4.827 1.00 5.43 H new ATOM 0 HD12 LEU A 99 -9.236 5.862 -4.214 1.00 5.43 H new ATOM 0 HD13 LEU A 99 -8.268 6.832 -5.350 1.00 5.43 H new ATOM 0 HD21 LEU A 99 -5.524 6.148 -4.000 1.00 14.54 H new ATOM 0 HD22 LEU A 99 -5.950 7.811 -4.469 1.00 14.54 H new ATOM 0 HD23 LEU A 99 -5.490 7.451 -2.788 1.00 14.54 H new ATOM 1571 N LYS A 100 -9.357 10.147 -0.541 1.00 12.03 N ATOM 1572 CA LYS A 100 -10.149 11.322 -0.180 1.00 15.24 C ATOM 1573 C LYS A 100 -9.314 12.310 0.680 1.00 34.44 C ATOM 1574 O LYS A 100 -9.128 13.471 0.298 1.00 23.20 O ATOM 1575 CB LYS A 100 -11.425 10.869 0.596 1.00 11.20 C ATOM 1576 CG LYS A 100 -12.566 11.906 0.630 1.00 54.44 C ATOM 1577 CD LYS A 100 -13.215 12.104 -0.763 1.00 61.21 C ATOM 1578 CE LYS A 100 -14.334 13.155 -0.747 1.00 74.23 C ATOM 1579 NZ LYS A 100 -13.821 14.500 -0.368 1.00 61.14 N ATOM 0 H LYS A 100 -9.664 9.293 -0.076 1.00 12.03 H new ATOM 0 HA LYS A 100 -10.446 11.841 -1.091 1.00 15.24 H new ATOM 0 HB2 LYS A 100 -11.801 9.951 0.144 1.00 11.20 H new ATOM 0 HB3 LYS A 100 -11.143 10.627 1.621 1.00 11.20 H new ATOM 0 HG2 LYS A 100 -13.327 11.584 1.341 1.00 54.44 H new ATOM 0 HG3 LYS A 100 -12.178 12.860 0.988 1.00 54.44 H new ATOM 0 HD2 LYS A 100 -12.449 12.405 -1.478 1.00 61.21 H new ATOM 0 HD3 LYS A 100 -13.619 11.153 -1.110 1.00 61.21 H new ATOM 0 HE2 LYS A 100 -14.798 13.207 -1.732 1.00 74.23 H new ATOM 0 HE3 LYS A 100 -15.110 12.850 -0.044 1.00 74.23 H new ATOM 0 HZ1 LYS A 100 -14.561 15.212 -0.531 1.00 61.14 H new ATOM 0 HZ2 LYS A 100 -13.556 14.500 0.638 1.00 61.14 H new ATOM 0 HZ3 LYS A 100 -12.987 14.729 -0.946 1.00 61.14 H new ATOM 1593 N THR A 101 -8.777 11.817 1.818 1.00 2.32 N ATOM 1594 CA THR A 101 -8.109 12.673 2.839 1.00 71.31 C ATOM 1595 C THR A 101 -6.646 13.022 2.467 1.00 33.41 C ATOM 1596 O THR A 101 -6.121 14.048 2.907 1.00 20.42 O ATOM 1597 CB THR A 101 -8.151 12.004 4.266 1.00 44.40 C ATOM 1598 OG1 THR A 101 -7.640 12.904 5.268 1.00 74.11 O ATOM 1599 CG2 THR A 101 -7.359 10.679 4.331 1.00 11.14 C ATOM 0 H THR A 101 -8.791 10.826 2.059 1.00 2.32 H new ATOM 0 HA THR A 101 -8.674 13.605 2.863 1.00 71.31 H new ATOM 0 HB THR A 101 -9.199 11.779 4.462 1.00 44.40 H new ATOM 0 HG1 THR A 101 -7.676 12.470 6.146 1.00 74.11 H new ATOM 0 HG21 THR A 101 -7.424 10.265 5.337 1.00 11.14 H new ATOM 0 HG22 THR A 101 -7.779 9.969 3.619 1.00 11.14 H new ATOM 0 HG23 THR A 101 -6.314 10.867 4.083 1.00 11.14 H new ATOM 1607 N ALA A 102 -5.986 12.135 1.713 1.00 4.03 N ATOM 1608 CA ALA A 102 -4.592 12.313 1.269 1.00 43.13 C ATOM 1609 C ALA A 102 -4.529 13.126 -0.032 1.00 34.11 C ATOM 1610 O ALA A 102 -3.638 13.967 -0.201 1.00 34.15 O ATOM 1611 CB ALA A 102 -3.903 10.955 1.100 1.00 32.10 C ATOM 0 H ALA A 102 -6.406 11.264 1.389 1.00 4.03 H new ATOM 0 HA ALA A 102 -4.059 12.872 2.038 1.00 43.13 H new ATOM 0 HB1 ALA A 102 -2.875 11.107 0.772 1.00 32.10 H new ATOM 0 HB2 ALA A 102 -3.905 10.425 2.052 1.00 32.10 H new ATOM 0 HB3 ALA A 102 -4.438 10.366 0.355 1.00 32.10 H new