USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 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 46 ASN : amide:sc= -1.24 K(o=0.085,f=-6.2!) USER MOD Set 1.2: A 53 TYR OH : rot -48:sc= 1.32 USER MOD Set 2.1: A 30 ASN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 2.2: A 31 CYS SG : rot 40:sc= -1.02 USER MOD Single : A 8 GLN : amide:sc= -0.0185 K(o=-0.019,f=-1.4!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -38:sc= 1.52 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 16 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0865 X(o=-0.086,f=-0.44) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -136:sc= -1.66 (180deg=-4.13!) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= -0.487 (180deg=-1.35!) USER MOD Single : A 26 SER OG : rot -82:sc= 1.14 USER MOD Single : A 32 LYS NZ :NH3+ -119:sc= -0.274 (180deg=-0.729) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -177:sc= 0 (180deg=-0.0162) USER MOD Single : A 39 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.89) USER MOD Single : A 40 SER OG : rot 180:sc= -0.307 USER MOD Single : A 48 LYS NZ :NH3+ -111:sc= -0.438 (180deg=-4.34!) USER MOD Single : A 50 ASN : amide:sc= -2.02 K(o=-2,f=-3.1!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.75 K(o=-2.8,f=-4.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -4:sc= 0.958 USER MOD Single : A 71 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.36) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00201 X(o=-0.002,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.75 K(o=-2.8,f=-2) USER MOD Single : A 83 SER OG : rot 180:sc= -0.332 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 87 GLN : amide:sc=-0.00247 X(o=-0.0025,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.124 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 62 N PRO A 5 -3.058 7.450 -8.131 1.00 71.51 N ATOM 63 CA PRO A 5 -2.784 7.308 -9.564 1.00 73.42 C ATOM 64 C PRO A 5 -1.976 8.476 -10.118 1.00 63.43 C ATOM 65 O PRO A 5 -1.225 8.322 -11.081 1.00 73.34 O ATOM 66 CB PRO A 5 -4.180 7.279 -10.191 1.00 35.40 C ATOM 67 CG PRO A 5 -5.045 8.010 -9.223 1.00 75.50 C ATOM 68 CD PRO A 5 -4.481 7.718 -7.860 1.00 64.44 C ATOM 0 HA PRO A 5 -2.187 6.422 -9.779 1.00 73.42 H new ATOM 0 HB2 PRO A 5 -4.185 7.761 -11.169 1.00 35.40 H new ATOM 0 HB3 PRO A 5 -4.527 6.256 -10.338 1.00 35.40 H new ATOM 0 HG2 PRO A 5 -5.039 9.081 -9.426 1.00 75.50 H new ATOM 0 HG3 PRO A 5 -6.080 7.677 -9.296 1.00 75.50 H new ATOM 0 HD2 PRO A 5 -4.609 8.562 -7.183 1.00 64.44 H new ATOM 0 HD3 PRO A 5 -4.971 6.861 -7.397 1.00 64.44 H new ATOM 76 N ALA A 6 -2.134 9.643 -9.503 1.00 43.24 N ATOM 77 CA ALA A 6 -1.416 10.837 -9.934 1.00 71.41 C ATOM 78 C ALA A 6 -1.688 11.140 -11.404 1.00 12.45 C ATOM 79 O ALA A 6 -0.884 11.791 -12.073 1.00 15.12 O ATOM 80 CB ALA A 6 0.077 10.669 -9.695 1.00 42.45 C ATOM 0 H ALA A 6 -2.753 9.788 -8.705 1.00 43.24 H new ATOM 0 HA ALA A 6 -1.775 11.680 -9.344 1.00 71.41 H new ATOM 0 HB1 ALA A 6 0.601 11.567 -10.021 1.00 42.45 H new ATOM 0 HB2 ALA A 6 0.260 10.508 -8.633 1.00 42.45 H new ATOM 0 HB3 ALA A 6 0.442 9.811 -10.260 1.00 42.45 H new ATOM 86 N LEU A 7 -2.825 10.665 -11.900 1.00 41.23 N ATOM 87 CA LEU A 7 -3.203 10.886 -13.292 1.00 21.41 C ATOM 88 C LEU A 7 -4.304 11.936 -13.397 1.00 43.23 C ATOM 89 O LEU A 7 -4.240 12.832 -14.239 1.00 15.13 O ATOM 90 CB LEU A 7 -3.670 9.575 -13.928 1.00 13.23 C ATOM 91 CG LEU A 7 -2.653 8.861 -14.819 1.00 13.32 C ATOM 92 CD1 LEU A 7 -2.417 7.442 -14.327 1.00 61.45 C ATOM 93 CD2 LEU A 7 -3.124 8.855 -16.266 1.00 44.40 C ATOM 0 H LEU A 7 -3.501 10.125 -11.360 1.00 41.23 H new ATOM 0 HA LEU A 7 -2.327 11.251 -13.828 1.00 21.41 H new ATOM 0 HB2 LEU A 7 -3.966 8.893 -13.131 1.00 13.23 H new ATOM 0 HB3 LEU A 7 -4.562 9.779 -14.521 1.00 13.23 H new ATOM 0 HG LEU A 7 -1.709 9.403 -14.768 1.00 13.32 H new ATOM 0 HD11 LEU A 7 -1.691 6.949 -14.973 1.00 61.45 H new ATOM 0 HD12 LEU A 7 -2.035 7.470 -13.306 1.00 61.45 H new ATOM 0 HD13 LEU A 7 -3.356 6.889 -14.348 1.00 61.45 H new ATOM 0 HD21 LEU A 7 -2.388 8.343 -16.886 1.00 44.40 H new ATOM 0 HD22 LEU A 7 -4.080 8.337 -16.335 1.00 44.40 H new ATOM 0 HD23 LEU A 7 -3.241 9.881 -16.615 1.00 44.40 H new ATOM 105 N GLN A 8 -5.310 11.820 -12.537 1.00 2.24 N ATOM 106 CA GLN A 8 -6.423 12.761 -12.533 1.00 15.34 C ATOM 107 C GLN A 8 -6.770 13.189 -11.110 1.00 44.12 C ATOM 108 O GLN A 8 -7.937 13.197 -10.722 1.00 31.13 O ATOM 109 CB GLN A 8 -7.649 12.137 -13.202 1.00 62.05 C ATOM 110 CG GLN A 8 -7.588 12.156 -14.721 1.00 41.53 C ATOM 111 CD GLN A 8 -8.592 11.216 -15.358 1.00 31.03 C ATOM 112 OE1 GLN A 8 -9.802 11.385 -15.205 1.00 12.41 O ATOM 113 NE2 GLN A 8 -8.095 10.217 -16.077 1.00 65.21 N ATOM 0 H GLN A 8 -5.377 11.084 -11.834 1.00 2.24 H new ATOM 0 HA GLN A 8 -6.120 13.644 -13.096 1.00 15.34 H new ATOM 0 HB2 GLN A 8 -7.752 11.106 -12.864 1.00 62.05 H new ATOM 0 HB3 GLN A 8 -8.542 12.670 -12.876 1.00 62.05 H new ATOM 0 HG2 GLN A 8 -7.771 13.171 -15.075 1.00 41.53 H new ATOM 0 HG3 GLN A 8 -6.584 11.882 -15.044 1.00 41.53 H new ATOM 0 HE21 GLN A 8 -7.085 10.114 -16.178 1.00 65.21 H new ATOM 0 HE22 GLN A 8 -8.723 9.552 -16.529 1.00 65.21 H new ATOM 122 N GLU A 9 -5.747 13.544 -10.339 1.00 23.34 N ATOM 123 CA GLU A 9 -5.944 13.971 -8.959 1.00 11.44 C ATOM 124 C GLU A 9 -5.812 15.487 -8.834 1.00 71.44 C ATOM 125 O GLU A 9 -5.343 15.999 -7.818 1.00 43.53 O ATOM 126 CB GLU A 9 -4.934 13.283 -8.039 1.00 5.35 C ATOM 127 CG GLU A 9 -3.494 13.694 -8.300 1.00 12.43 C ATOM 128 CD GLU A 9 -2.554 13.261 -7.192 1.00 65.13 C ATOM 129 OE1 GLU A 9 -3.009 12.554 -6.269 1.00 63.12 O ATOM 130 OE2 GLU A 9 -1.361 13.629 -7.249 1.00 74.14 O ATOM 0 H GLU A 9 -4.774 13.544 -10.646 1.00 23.34 H new ATOM 0 HA GLU A 9 -6.952 13.685 -8.658 1.00 11.44 H new ATOM 0 HB2 GLU A 9 -5.186 13.510 -7.003 1.00 5.35 H new ATOM 0 HB3 GLU A 9 -5.022 12.203 -8.159 1.00 5.35 H new ATOM 0 HG2 GLU A 9 -3.162 13.261 -9.243 1.00 12.43 H new ATOM 0 HG3 GLU A 9 -3.444 14.777 -8.412 1.00 12.43 H new ATOM 137 N LYS A 10 -6.229 16.198 -9.876 1.00 51.12 N ATOM 138 CA LYS A 10 -6.159 17.654 -9.886 1.00 11.51 C ATOM 139 C LYS A 10 -6.812 18.239 -8.637 1.00 63.12 C ATOM 140 O LYS A 10 -7.777 17.683 -8.112 1.00 60.02 O ATOM 141 CB LYS A 10 -6.841 18.210 -11.138 1.00 71.02 C ATOM 142 CG LYS A 10 -5.942 18.231 -12.362 1.00 62.31 C ATOM 143 CD LYS A 10 -5.478 19.640 -12.690 1.00 12.24 C ATOM 144 CE LYS A 10 -6.525 20.399 -13.492 1.00 24.24 C ATOM 145 NZ LYS A 10 -7.049 21.576 -12.746 1.00 33.15 N ATOM 0 H LYS A 10 -6.619 15.789 -10.725 1.00 51.12 H new ATOM 0 HA LYS A 10 -5.108 17.942 -9.894 1.00 11.51 H new ATOM 0 HB2 LYS A 10 -7.725 17.610 -11.357 1.00 71.02 H new ATOM 0 HB3 LYS A 10 -7.186 19.224 -10.934 1.00 71.02 H new ATOM 0 HG2 LYS A 10 -5.075 17.593 -12.189 1.00 62.31 H new ATOM 0 HG3 LYS A 10 -6.478 17.816 -13.215 1.00 62.31 H new ATOM 0 HD2 LYS A 10 -5.265 20.178 -11.766 1.00 12.24 H new ATOM 0 HD3 LYS A 10 -4.547 19.595 -13.255 1.00 12.24 H new ATOM 0 HE2 LYS A 10 -6.090 20.731 -14.435 1.00 24.24 H new ATOM 0 HE3 LYS A 10 -7.349 19.729 -13.739 1.00 24.24 H new ATOM 0 HZ1 LYS A 10 -7.760 22.066 -13.326 1.00 33.15 H new ATOM 0 HZ2 LYS A 10 -7.487 21.257 -11.858 1.00 33.15 H new ATOM 0 HZ3 LYS A 10 -6.267 22.228 -12.532 1.00 33.15 H new ATOM 159 N ILE A 11 -6.280 19.363 -8.168 1.00 30.50 N ATOM 160 CA ILE A 11 -6.813 20.023 -6.983 1.00 31.42 C ATOM 161 C ILE A 11 -6.971 21.522 -7.213 1.00 32.22 C ATOM 162 O ILE A 11 -6.058 22.184 -7.705 1.00 51.32 O ATOM 163 CB ILE A 11 -5.909 19.795 -5.757 1.00 42.30 C ATOM 164 CG1 ILE A 11 -6.560 20.377 -4.501 1.00 31.14 C ATOM 165 CG2 ILE A 11 -4.539 20.417 -5.987 1.00 34.14 C ATOM 166 CD1 ILE A 11 -7.905 19.763 -4.178 1.00 4.43 C ATOM 0 H ILE A 11 -5.481 19.835 -8.591 1.00 30.50 H new ATOM 0 HA ILE A 11 -7.791 19.583 -6.789 1.00 31.42 H new ATOM 0 HB ILE A 11 -5.780 18.722 -5.613 1.00 42.30 H new ATOM 0 HG12 ILE A 11 -5.890 20.231 -3.654 1.00 31.14 H new ATOM 0 HG13 ILE A 11 -6.682 21.452 -4.630 1.00 31.14 H new ATOM 0 HG21 ILE A 11 -3.911 20.248 -5.112 1.00 34.14 H new ATOM 0 HG22 ILE A 11 -4.074 19.961 -6.861 1.00 34.14 H new ATOM 0 HG23 ILE A 11 -4.649 21.489 -6.153 1.00 34.14 H new ATOM 0 HD11 ILE A 11 -8.308 20.223 -3.276 1.00 4.43 H new ATOM 0 HD12 ILE A 11 -8.591 19.931 -5.008 1.00 4.43 H new ATOM 0 HD13 ILE A 11 -7.787 18.691 -4.017 1.00 4.43 H new ATOM 178 N SER A 12 -8.136 22.051 -6.851 1.00 63.23 N ATOM 179 CA SER A 12 -8.415 23.472 -7.020 1.00 2.11 C ATOM 180 C SER A 12 -8.473 23.843 -8.499 1.00 33.42 C ATOM 181 O SER A 12 -7.518 23.625 -9.244 1.00 64.14 O ATOM 182 CB SER A 12 -7.347 24.310 -6.314 1.00 51.44 C ATOM 183 OG SER A 12 -6.339 24.720 -7.222 1.00 3.33 O ATOM 0 H SER A 12 -8.901 21.517 -6.439 1.00 63.23 H new ATOM 0 HA SER A 12 -9.387 23.682 -6.573 1.00 2.11 H new ATOM 0 HB2 SER A 12 -7.809 25.186 -5.859 1.00 51.44 H new ATOM 0 HB3 SER A 12 -6.900 23.730 -5.507 1.00 51.44 H new ATOM 0 HG SER A 12 -6.151 23.993 -7.852 1.00 3.33 H new ATOM 189 N THR A 13 -9.603 24.404 -8.917 1.00 52.45 N ATOM 190 CA THR A 13 -9.789 24.805 -10.307 1.00 22.45 C ATOM 191 C THR A 13 -9.642 26.313 -10.468 1.00 52.23 C ATOM 192 O THR A 13 -8.635 26.796 -10.986 1.00 35.32 O ATOM 193 CB THR A 13 -11.170 24.375 -10.835 1.00 72.22 C ATOM 194 OG1 THR A 13 -12.000 23.949 -9.749 1.00 22.34 O ATOM 195 CG2 THR A 13 -11.035 23.248 -11.849 1.00 13.43 C ATOM 0 H THR A 13 -10.404 24.591 -8.313 1.00 52.45 H new ATOM 0 HA THR A 13 -9.015 24.304 -10.888 1.00 22.45 H new ATOM 0 HB THR A 13 -11.629 25.233 -11.327 1.00 72.22 H new ATOM 0 HG1 THR A 13 -12.877 23.679 -10.094 1.00 22.34 H new ATOM 0 HG21 THR A 13 -12.023 22.961 -12.208 1.00 13.43 H new ATOM 0 HG22 THR A 13 -10.428 23.585 -12.689 1.00 13.43 H new ATOM 0 HG23 THR A 13 -10.557 22.389 -11.377 1.00 13.43 H new ATOM 203 N GLU A 14 -10.653 27.053 -10.022 1.00 23.32 N ATOM 204 CA GLU A 14 -10.635 28.508 -10.118 1.00 63.41 C ATOM 205 C GLU A 14 -10.232 29.136 -8.787 1.00 33.00 C ATOM 206 O GLU A 14 -10.284 30.356 -8.622 1.00 73.42 O ATOM 207 CB GLU A 14 -12.008 29.030 -10.547 1.00 23.54 C ATOM 208 CG GLU A 14 -12.245 28.958 -12.046 1.00 13.24 C ATOM 209 CD GLU A 14 -11.447 29.995 -12.813 1.00 33.52 C ATOM 210 OE1 GLU A 14 -10.993 30.976 -12.188 1.00 61.25 O ATOM 211 OE2 GLU A 14 -11.277 29.823 -14.038 1.00 52.52 O ATOM 0 H GLU A 14 -11.494 26.669 -9.591 1.00 23.32 H new ATOM 0 HA GLU A 14 -9.897 28.788 -10.870 1.00 63.41 H new ATOM 0 HB2 GLU A 14 -12.781 28.455 -10.037 1.00 23.54 H new ATOM 0 HB3 GLU A 14 -12.112 30.065 -10.220 1.00 23.54 H new ATOM 0 HG2 GLU A 14 -11.981 27.963 -12.405 1.00 13.24 H new ATOM 0 HG3 GLU A 14 -13.307 29.098 -12.249 1.00 13.24 H new ATOM 218 N LEU A 15 -9.832 28.295 -7.840 1.00 4.11 N ATOM 219 CA LEU A 15 -9.420 28.767 -6.522 1.00 74.30 C ATOM 220 C LEU A 15 -10.634 29.088 -5.655 1.00 62.34 C ATOM 221 O LEU A 15 -10.507 29.318 -4.454 1.00 30.24 O ATOM 222 CB LEU A 15 -8.533 30.005 -6.656 1.00 0.40 C ATOM 223 CG LEU A 15 -7.371 30.108 -5.668 1.00 3.52 C ATOM 224 CD1 LEU A 15 -6.152 29.368 -6.198 1.00 14.35 C ATOM 225 CD2 LEU A 15 -7.033 31.566 -5.392 1.00 0.42 C ATOM 0 H LEU A 15 -9.784 27.283 -7.960 1.00 4.11 H new ATOM 0 HA LEU A 15 -8.852 27.972 -6.040 1.00 74.30 H new ATOM 0 HB2 LEU A 15 -8.127 30.029 -7.667 1.00 0.40 H new ATOM 0 HB3 LEU A 15 -9.159 30.890 -6.543 1.00 0.40 H new ATOM 0 HG LEU A 15 -7.674 29.642 -4.730 1.00 3.52 H new ATOM 0 HD11 LEU A 15 -5.335 29.452 -5.481 1.00 14.35 H new ATOM 0 HD12 LEU A 15 -6.400 28.317 -6.344 1.00 14.35 H new ATOM 0 HD13 LEU A 15 -5.847 29.804 -7.149 1.00 14.35 H new ATOM 0 HD21 LEU A 15 -6.204 31.620 -4.687 1.00 0.42 H new ATOM 0 HD22 LEU A 15 -6.750 32.056 -6.323 1.00 0.42 H new ATOM 0 HD23 LEU A 15 -7.903 32.067 -4.968 1.00 0.42 H new ATOM 237 N ASN A 16 -11.810 29.099 -6.274 1.00 51.11 N ATOM 238 CA ASN A 16 -13.047 29.390 -5.559 1.00 12.03 C ATOM 239 C ASN A 16 -13.761 28.102 -5.159 1.00 64.15 C ATOM 240 O ASN A 16 -14.221 27.961 -4.027 1.00 70.25 O ATOM 241 CB ASN A 16 -13.971 30.251 -6.424 1.00 25.45 C ATOM 242 CG ASN A 16 -13.565 31.712 -6.425 1.00 71.11 C ATOM 243 OD1 ASN A 16 -14.310 32.575 -5.960 1.00 22.34 O ATOM 244 ND2 ASN A 16 -12.379 31.996 -6.951 1.00 11.14 N ATOM 0 H ASN A 16 -11.932 28.910 -7.269 1.00 51.11 H new ATOM 0 HA ASN A 16 -12.792 29.940 -4.653 1.00 12.03 H new ATOM 0 HB2 ASN A 16 -13.963 29.874 -7.447 1.00 25.45 H new ATOM 0 HB3 ASN A 16 -14.994 30.161 -6.059 1.00 25.45 H new ATOM 0 HD21 ASN A 16 -12.053 32.962 -6.981 1.00 11.14 H new ATOM 0 HD22 ASN A 16 -11.795 31.248 -7.325 1.00 11.14 H new ATOM 251 N ASN A 17 -13.847 27.165 -6.098 1.00 33.31 N ATOM 252 CA ASN A 17 -14.504 25.888 -5.844 1.00 74.42 C ATOM 253 C ASN A 17 -13.606 24.967 -5.024 1.00 11.24 C ATOM 254 O ASN A 17 -14.081 24.034 -4.375 1.00 44.23 O ATOM 255 CB ASN A 17 -14.877 25.211 -7.165 1.00 24.31 C ATOM 256 CG ASN A 17 -15.332 26.205 -8.216 1.00 22.31 C ATOM 257 OD1 ASN A 17 -14.530 26.696 -9.010 1.00 42.21 O ATOM 258 ND2 ASN A 17 -16.625 26.506 -8.225 1.00 32.44 N ATOM 0 H ASN A 17 -13.470 27.266 -7.041 1.00 33.31 H new ATOM 0 HA ASN A 17 -15.412 26.083 -5.273 1.00 74.42 H new ATOM 0 HB2 ASN A 17 -14.017 24.657 -7.541 1.00 24.31 H new ATOM 0 HB3 ASN A 17 -15.671 24.486 -6.987 1.00 24.31 H new ATOM 0 HD21 ASN A 17 -16.990 27.169 -8.909 1.00 32.44 H new ATOM 0 HD22 ASN A 17 -17.254 26.075 -7.548 1.00 32.44 H new ATOM 265 N LYS A 18 -12.305 25.236 -5.056 1.00 14.43 N ATOM 266 CA LYS A 18 -11.339 24.435 -4.314 1.00 71.01 C ATOM 267 C LYS A 18 -11.744 24.313 -2.849 1.00 31.24 C ATOM 268 O LYS A 18 -11.436 23.319 -2.192 1.00 32.32 O ATOM 269 CB LYS A 18 -9.944 25.055 -4.419 1.00 1.23 C ATOM 270 CG LYS A 18 -9.769 26.306 -3.575 1.00 35.25 C ATOM 271 CD LYS A 18 -9.144 25.986 -2.227 1.00 45.33 C ATOM 272 CE LYS A 18 -9.758 26.822 -1.115 1.00 11.11 C ATOM 273 NZ LYS A 18 -8.889 27.971 -0.740 1.00 4.34 N ATOM 0 H LYS A 18 -11.895 26.003 -5.589 1.00 14.43 H new ATOM 0 HA LYS A 18 -11.320 23.437 -4.751 1.00 71.01 H new ATOM 0 HB2 LYS A 18 -9.203 24.315 -4.115 1.00 1.23 H new ATOM 0 HB3 LYS A 18 -9.742 25.299 -5.462 1.00 1.23 H new ATOM 0 HG2 LYS A 18 -9.141 27.021 -4.108 1.00 35.25 H new ATOM 0 HG3 LYS A 18 -10.738 26.783 -3.424 1.00 35.25 H new ATOM 0 HD2 LYS A 18 -9.279 24.927 -2.004 1.00 45.33 H new ATOM 0 HD3 LYS A 18 -8.070 26.168 -2.270 1.00 45.33 H new ATOM 0 HE2 LYS A 18 -10.732 27.193 -1.435 1.00 11.11 H new ATOM 0 HE3 LYS A 18 -9.927 26.194 -0.240 1.00 11.11 H new ATOM 0 HZ1 LYS A 18 -9.343 28.516 0.021 1.00 4.34 H new ATOM 0 HZ2 LYS A 18 -7.968 27.617 -0.410 1.00 4.34 H new ATOM 0 HZ3 LYS A 18 -8.748 28.584 -1.568 1.00 4.34 H new ATOM 287 N GLN A 19 -12.437 25.329 -2.344 1.00 64.21 N ATOM 288 CA GLN A 19 -12.884 25.333 -0.956 1.00 41.33 C ATOM 289 C GLN A 19 -14.028 24.346 -0.750 1.00 23.12 C ATOM 290 O GLN A 19 -14.034 23.580 0.214 1.00 3.35 O ATOM 291 CB GLN A 19 -13.327 26.739 -0.546 1.00 32.42 C ATOM 292 CG GLN A 19 -12.747 27.196 0.783 1.00 64.04 C ATOM 293 CD GLN A 19 -13.467 28.403 1.350 1.00 74.11 C ATOM 294 OE1 GLN A 19 -14.535 28.277 1.950 1.00 55.33 O ATOM 295 NE2 GLN A 19 -12.886 29.582 1.163 1.00 22.02 N ATOM 0 H GLN A 19 -12.701 26.159 -2.875 1.00 64.21 H new ATOM 0 HA GLN A 19 -12.047 25.026 -0.329 1.00 41.33 H new ATOM 0 HB2 GLN A 19 -13.033 27.445 -1.323 1.00 32.42 H new ATOM 0 HB3 GLN A 19 -14.415 26.765 -0.486 1.00 32.42 H new ATOM 0 HG2 GLN A 19 -12.800 26.376 1.499 1.00 64.04 H new ATOM 0 HG3 GLN A 19 -11.692 27.436 0.651 1.00 64.04 H new ATOM 0 HE21 GLN A 19 -12.001 29.640 0.660 1.00 22.02 H new ATOM 0 HE22 GLN A 19 -13.325 30.430 1.523 1.00 22.02 H new ATOM 304 N TYR A 20 -14.994 24.369 -1.661 1.00 12.12 N ATOM 305 CA TYR A 20 -16.145 23.478 -1.577 1.00 60.30 C ATOM 306 C TYR A 20 -15.739 22.035 -1.862 1.00 4.02 C ATOM 307 O TYR A 20 -16.124 21.117 -1.140 1.00 33.55 O ATOM 308 CB TYR A 20 -17.230 23.917 -2.562 1.00 1.45 C ATOM 309 CG TYR A 20 -18.005 25.133 -2.105 1.00 71.32 C ATOM 310 CD1 TYR A 20 -17.403 26.383 -2.046 1.00 11.43 C ATOM 311 CD2 TYR A 20 -19.340 25.030 -1.734 1.00 54.23 C ATOM 312 CE1 TYR A 20 -18.108 27.496 -1.629 1.00 5.14 C ATOM 313 CE2 TYR A 20 -20.053 26.138 -1.317 1.00 70.24 C ATOM 314 CZ TYR A 20 -19.432 27.368 -1.266 1.00 11.32 C ATOM 315 OH TYR A 20 -20.138 28.475 -0.851 1.00 64.41 O ATOM 0 H TYR A 20 -15.003 24.995 -2.466 1.00 12.12 H new ATOM 0 HA TYR A 20 -16.540 23.532 -0.563 1.00 60.30 H new ATOM 0 HB2 TYR A 20 -16.769 24.131 -3.526 1.00 1.45 H new ATOM 0 HB3 TYR A 20 -17.924 23.091 -2.717 1.00 1.45 H new ATOM 0 HD1 TYR A 20 -16.366 26.487 -2.331 1.00 11.43 H new ATOM 0 HD2 TYR A 20 -19.829 24.068 -1.772 1.00 54.23 H new ATOM 0 HE1 TYR A 20 -17.625 28.461 -1.588 1.00 5.14 H new ATOM 0 HE2 TYR A 20 -21.090 26.041 -1.033 1.00 70.24 H new ATOM 0 HH TYR A 20 -21.057 28.214 -0.633 1.00 64.41 H new ATOM 325 N GLU A 21 -14.956 21.845 -2.920 1.00 13.32 N ATOM 326 CA GLU A 21 -14.497 20.515 -3.301 1.00 32.33 C ATOM 327 C GLU A 21 -13.650 19.894 -2.194 1.00 33.24 C ATOM 328 O GLU A 21 -13.830 18.728 -1.839 1.00 22.04 O ATOM 329 CB GLU A 21 -13.690 20.582 -4.599 1.00 21.32 C ATOM 330 CG GLU A 21 -14.510 20.281 -5.842 1.00 13.30 C ATOM 331 CD GLU A 21 -14.112 21.141 -7.026 1.00 1.23 C ATOM 332 OE1 GLU A 21 -14.345 22.367 -6.975 1.00 21.14 O ATOM 333 OE2 GLU A 21 -13.566 20.588 -8.003 1.00 75.44 O ATOM 0 H GLU A 21 -14.627 22.595 -3.528 1.00 13.32 H new ATOM 0 HA GLU A 21 -15.374 19.887 -3.459 1.00 32.33 H new ATOM 0 HB2 GLU A 21 -13.253 21.576 -4.694 1.00 21.32 H new ATOM 0 HB3 GLU A 21 -12.863 19.875 -4.540 1.00 21.32 H new ATOM 0 HG2 GLU A 21 -14.392 19.230 -6.105 1.00 13.30 H new ATOM 0 HG3 GLU A 21 -15.566 20.438 -5.623 1.00 13.30 H new ATOM 340 N LEU A 22 -12.726 20.680 -1.652 1.00 55.03 N ATOM 341 CA LEU A 22 -11.850 20.209 -0.585 1.00 72.45 C ATOM 342 C LEU A 22 -12.643 19.932 0.688 1.00 61.20 C ATOM 343 O LEU A 22 -12.307 19.032 1.458 1.00 62.44 O ATOM 344 CB LEU A 22 -10.756 21.240 -0.305 1.00 23.34 C ATOM 345 CG LEU A 22 -9.838 20.938 0.881 1.00 42.34 C ATOM 346 CD1 LEU A 22 -8.434 21.458 0.614 1.00 3.31 C ATOM 347 CD2 LEU A 22 -10.400 21.545 2.158 1.00 23.11 C ATOM 0 H LEU A 22 -12.564 21.647 -1.934 1.00 55.03 H new ATOM 0 HA LEU A 22 -11.387 19.278 -0.912 1.00 72.45 H new ATOM 0 HB2 LEU A 22 -10.141 21.340 -1.199 1.00 23.34 H new ATOM 0 HB3 LEU A 22 -11.230 22.207 -0.135 1.00 23.34 H new ATOM 0 HG LEU A 22 -9.785 19.857 1.009 1.00 42.34 H new ATOM 0 HD11 LEU A 22 -7.795 21.234 1.468 1.00 3.31 H new ATOM 0 HD12 LEU A 22 -8.031 20.976 -0.277 1.00 3.31 H new ATOM 0 HD13 LEU A 22 -8.469 22.536 0.459 1.00 3.31 H new ATOM 0 HD21 LEU A 22 -9.734 21.320 2.991 1.00 23.11 H new ATOM 0 HD22 LEU A 22 -10.483 22.626 2.041 1.00 23.11 H new ATOM 0 HD23 LEU A 22 -11.386 21.125 2.358 1.00 23.11 H new ATOM 359 N PHE A 23 -13.698 20.710 0.903 1.00 51.41 N ATOM 360 CA PHE A 23 -14.540 20.549 2.082 1.00 31.45 C ATOM 361 C PHE A 23 -15.171 19.160 2.114 1.00 74.24 C ATOM 362 O PHE A 23 -15.128 18.469 3.131 1.00 11.55 O ATOM 363 CB PHE A 23 -15.633 21.619 2.106 1.00 74.25 C ATOM 364 CG PHE A 23 -15.368 22.726 3.086 1.00 71.34 C ATOM 365 CD1 PHE A 23 -14.119 23.320 3.158 1.00 3.10 C ATOM 366 CD2 PHE A 23 -16.368 23.171 3.935 1.00 52.33 C ATOM 367 CE1 PHE A 23 -13.871 24.339 4.058 1.00 13.25 C ATOM 368 CE2 PHE A 23 -16.127 24.190 4.837 1.00 41.22 C ATOM 369 CZ PHE A 23 -14.877 24.774 4.900 1.00 64.03 C ATOM 0 H PHE A 23 -13.990 21.459 0.275 1.00 51.41 H new ATOM 0 HA PHE A 23 -13.911 20.664 2.965 1.00 31.45 H new ATOM 0 HB2 PHE A 23 -15.735 22.045 1.108 1.00 74.25 H new ATOM 0 HB3 PHE A 23 -16.585 21.149 2.351 1.00 74.25 H new ATOM 0 HD1 PHE A 23 -13.329 22.983 2.503 1.00 3.10 H new ATOM 0 HD2 PHE A 23 -17.347 22.717 3.892 1.00 52.33 H new ATOM 0 HE1 PHE A 23 -12.893 24.795 4.103 1.00 13.25 H new ATOM 0 HE2 PHE A 23 -16.916 24.529 5.492 1.00 41.22 H new ATOM 0 HZ PHE A 23 -14.686 25.569 5.606 1.00 64.03 H new ATOM 379 N MET A 24 -15.758 18.758 0.991 1.00 71.31 N ATOM 380 CA MET A 24 -16.398 17.451 0.889 1.00 51.30 C ATOM 381 C MET A 24 -15.361 16.353 0.675 1.00 52.22 C ATOM 382 O MET A 24 -15.524 15.230 1.152 1.00 5.02 O ATOM 383 CB MET A 24 -17.410 17.444 -0.258 1.00 75.30 C ATOM 384 CG MET A 24 -18.785 16.939 0.148 1.00 34.53 C ATOM 385 SD MET A 24 -18.738 15.272 0.836 1.00 1.41 S ATOM 386 CE MET A 24 -20.188 14.549 0.072 1.00 3.43 C ATOM 0 H MET A 24 -15.804 19.318 0.140 1.00 71.31 H new ATOM 0 HA MET A 24 -16.920 17.255 1.826 1.00 51.30 H new ATOM 0 HB2 MET A 24 -17.506 18.455 -0.654 1.00 75.30 H new ATOM 0 HB3 MET A 24 -17.027 16.821 -1.066 1.00 75.30 H new ATOM 0 HG2 MET A 24 -19.215 17.619 0.883 1.00 34.53 H new ATOM 0 HG3 MET A 24 -19.443 16.951 -0.721 1.00 34.53 H new ATOM 0 HE1 MET A 24 -20.746 13.980 0.816 1.00 3.43 H new ATOM 0 HE2 MET A 24 -20.821 15.341 -0.329 1.00 3.43 H new ATOM 0 HE3 MET A 24 -19.881 13.885 -0.736 1.00 3.43 H new ATOM 396 N LYS A 25 -14.295 16.685 -0.046 1.00 74.41 N ATOM 397 CA LYS A 25 -13.231 15.727 -0.323 1.00 41.52 C ATOM 398 C LYS A 25 -12.497 15.344 0.958 1.00 72.32 C ATOM 399 O LYS A 25 -12.117 14.188 1.144 1.00 21.10 O ATOM 400 CB LYS A 25 -12.242 16.312 -1.334 1.00 60.04 C ATOM 401 CG LYS A 25 -11.201 15.315 -1.813 1.00 2.00 C ATOM 402 CD LYS A 25 -9.817 15.657 -1.286 1.00 14.12 C ATOM 403 CE LYS A 25 -9.226 16.857 -2.010 1.00 62.42 C ATOM 404 NZ LYS A 25 -7.778 16.669 -2.302 1.00 44.24 N ATOM 0 H LYS A 25 -14.145 17.610 -0.449 1.00 74.41 H new ATOM 0 HA LYS A 25 -13.684 14.829 -0.744 1.00 41.52 H new ATOM 0 HB2 LYS A 25 -12.795 16.689 -2.194 1.00 60.04 H new ATOM 0 HB3 LYS A 25 -11.735 17.165 -0.882 1.00 60.04 H new ATOM 0 HG2 LYS A 25 -11.478 14.313 -1.486 1.00 2.00 H new ATOM 0 HG3 LYS A 25 -11.183 15.301 -2.903 1.00 2.00 H new ATOM 0 HD2 LYS A 25 -9.875 15.867 -0.218 1.00 14.12 H new ATOM 0 HD3 LYS A 25 -9.158 14.797 -1.406 1.00 14.12 H new ATOM 0 HE2 LYS A 25 -9.766 17.021 -2.942 1.00 62.42 H new ATOM 0 HE3 LYS A 25 -9.361 17.751 -1.402 1.00 62.42 H new ATOM 0 HZ1 LYS A 25 -7.322 17.598 -2.408 1.00 44.24 H new ATOM 0 HZ2 LYS A 25 -7.330 16.151 -1.519 1.00 44.24 H new ATOM 0 HZ3 LYS A 25 -7.669 16.127 -3.183 1.00 44.24 H new ATOM 418 N SER A 26 -12.303 16.320 1.838 1.00 1.34 N ATOM 419 CA SER A 26 -11.613 16.085 3.101 1.00 23.21 C ATOM 420 C SER A 26 -12.479 15.260 4.048 1.00 11.22 C ATOM 421 O SER A 26 -11.975 14.428 4.804 1.00 72.13 O ATOM 422 CB SER A 26 -11.241 17.415 3.759 1.00 31.14 C ATOM 423 OG SER A 26 -12.395 18.198 4.013 1.00 45.20 O ATOM 0 H SER A 26 -12.614 17.282 1.700 1.00 1.34 H new ATOM 0 HA SER A 26 -10.702 15.525 2.890 1.00 23.21 H new ATOM 0 HB2 SER A 26 -10.712 17.227 4.693 1.00 31.14 H new ATOM 0 HB3 SER A 26 -10.559 17.966 3.112 1.00 31.14 H new ATOM 0 HG SER A 26 -12.650 18.679 3.198 1.00 45.20 H new ATOM 429 N LEU A 27 -13.785 15.497 4.002 1.00 14.33 N ATOM 430 CA LEU A 27 -14.724 14.777 4.856 1.00 52.33 C ATOM 431 C LEU A 27 -14.866 13.327 4.406 1.00 33.44 C ATOM 432 O LEU A 27 -14.758 12.403 5.214 1.00 50.13 O ATOM 433 CB LEU A 27 -16.091 15.465 4.838 1.00 24.20 C ATOM 434 CG LEU A 27 -16.723 15.737 6.203 1.00 22.15 C ATOM 435 CD1 LEU A 27 -16.722 14.475 7.053 1.00 52.41 C ATOM 436 CD2 LEU A 27 -15.988 16.863 6.917 1.00 70.45 C ATOM 0 H LEU A 27 -14.218 16.182 3.383 1.00 14.33 H new ATOM 0 HA LEU A 27 -14.333 14.786 5.873 1.00 52.33 H new ATOM 0 HB2 LEU A 27 -15.991 16.414 4.311 1.00 24.20 H new ATOM 0 HB3 LEU A 27 -16.778 14.849 4.258 1.00 24.20 H new ATOM 0 HG LEU A 27 -17.757 16.046 6.048 1.00 22.15 H new ATOM 0 HD11 LEU A 27 -17.176 14.688 8.021 1.00 52.41 H new ATOM 0 HD12 LEU A 27 -17.293 13.696 6.548 1.00 52.41 H new ATOM 0 HD13 LEU A 27 -15.697 14.136 7.200 1.00 52.41 H new ATOM 0 HD21 LEU A 27 -16.452 17.043 7.887 1.00 70.45 H new ATOM 0 HD22 LEU A 27 -14.944 16.583 7.060 1.00 70.45 H new ATOM 0 HD23 LEU A 27 -16.041 17.771 6.316 1.00 70.45 H new ATOM 448 N ILE A 28 -15.107 13.134 3.114 1.00 70.11 N ATOM 449 CA ILE A 28 -15.260 11.796 2.557 1.00 32.42 C ATOM 450 C ILE A 28 -14.016 10.950 2.808 1.00 52.11 C ATOM 451 O ILE A 28 -14.112 9.792 3.213 1.00 15.31 O ATOM 452 CB ILE A 28 -15.538 11.844 1.043 1.00 4.10 C ATOM 453 CG1 ILE A 28 -15.600 10.427 0.468 1.00 5.51 C ATOM 454 CG2 ILE A 28 -14.469 12.663 0.335 1.00 64.23 C ATOM 455 CD1 ILE A 28 -16.659 9.560 1.111 1.00 53.31 C ATOM 0 H ILE A 28 -15.201 13.888 2.433 1.00 70.11 H new ATOM 0 HA ILE A 28 -16.113 11.341 3.060 1.00 32.42 H new ATOM 0 HB ILE A 28 -16.503 12.324 0.880 1.00 4.10 H new ATOM 0 HG12 ILE A 28 -15.792 10.486 -0.603 1.00 5.51 H new ATOM 0 HG13 ILE A 28 -14.627 9.951 0.592 1.00 5.51 H new ATOM 0 HG21 ILE A 28 -14.679 12.688 -0.734 1.00 64.23 H new ATOM 0 HG22 ILE A 28 -14.469 13.679 0.729 1.00 64.23 H new ATOM 0 HG23 ILE A 28 -13.492 12.209 0.503 1.00 64.23 H new ATOM 0 HD11 ILE A 28 -16.646 8.570 0.654 1.00 53.31 H new ATOM 0 HD12 ILE A 28 -16.457 9.470 2.178 1.00 53.31 H new ATOM 0 HD13 ILE A 28 -17.639 10.014 0.965 1.00 53.31 H new ATOM 467 N GLU A 29 -12.849 11.538 2.566 1.00 42.34 N ATOM 468 CA GLU A 29 -11.585 10.839 2.766 1.00 34.54 C ATOM 469 C GLU A 29 -11.355 10.545 4.246 1.00 33.11 C ATOM 470 O GLU A 29 -10.770 9.523 4.603 1.00 13.32 O ATOM 471 CB GLU A 29 -10.424 11.667 2.213 1.00 13.31 C ATOM 472 CG GLU A 29 -10.105 12.899 3.044 1.00 74.11 C ATOM 473 CD GLU A 29 -8.874 13.633 2.550 1.00 25.44 C ATOM 474 OE1 GLU A 29 -8.871 14.069 1.381 1.00 54.44 O ATOM 475 OE2 GLU A 29 -7.912 13.770 3.335 1.00 45.10 O ATOM 0 H GLU A 29 -12.752 12.497 2.231 1.00 42.34 H new ATOM 0 HA GLU A 29 -11.634 9.892 2.228 1.00 34.54 H new ATOM 0 HB2 GLU A 29 -9.536 11.038 2.155 1.00 13.31 H new ATOM 0 HB3 GLU A 29 -10.662 11.977 1.196 1.00 13.31 H new ATOM 0 HG2 GLU A 29 -10.959 13.576 3.026 1.00 74.11 H new ATOM 0 HG3 GLU A 29 -9.955 12.603 4.082 1.00 74.11 H new ATOM 482 N ASN A 30 -11.820 11.449 5.102 1.00 1.30 N ATOM 483 CA ASN A 30 -11.664 11.289 6.543 1.00 32.42 C ATOM 484 C ASN A 30 -12.580 10.188 7.070 1.00 71.01 C ATOM 485 O ASN A 30 -12.147 9.311 7.818 1.00 64.20 O ATOM 486 CB ASN A 30 -11.967 12.606 7.260 1.00 50.01 C ATOM 487 CG ASN A 30 -12.150 12.423 8.754 1.00 22.41 C ATOM 488 OD1 ASN A 30 -11.183 12.221 9.489 1.00 62.12 O ATOM 489 ND2 ASN A 30 -13.395 12.492 9.211 1.00 61.34 N ATOM 0 H ASN A 30 -12.308 12.300 4.823 1.00 1.30 H new ATOM 0 HA ASN A 30 -10.631 11.005 6.742 1.00 32.42 H new ATOM 0 HB2 ASN A 30 -11.154 13.310 7.080 1.00 50.01 H new ATOM 0 HB3 ASN A 30 -12.870 13.047 6.838 1.00 50.01 H new ATOM 0 HD21 ASN A 30 -13.580 12.376 10.207 1.00 61.34 H new ATOM 0 HD22 ASN A 30 -14.167 12.661 8.566 1.00 61.34 H new ATOM 496 N CYS A 31 -13.847 10.241 6.674 1.00 20.42 N ATOM 497 CA CYS A 31 -14.825 9.248 7.106 1.00 2.33 C ATOM 498 C CYS A 31 -14.501 7.876 6.523 1.00 12.54 C ATOM 499 O CYS A 31 -14.531 6.867 7.228 1.00 2.43 O ATOM 500 CB CYS A 31 -16.233 9.674 6.689 1.00 51.04 C ATOM 501 SG CYS A 31 -16.873 11.101 7.597 1.00 62.42 S ATOM 0 H CYS A 31 -14.221 10.960 6.055 1.00 20.42 H new ATOM 0 HA CYS A 31 -14.781 9.180 8.193 1.00 2.33 H new ATOM 0 HB2 CYS A 31 -16.230 9.906 5.624 1.00 51.04 H new ATOM 0 HB3 CYS A 31 -16.912 8.833 6.830 1.00 51.04 H new ATOM 0 HG CYS A 31 -15.921 11.970 7.766 1.00 62.42 H new ATOM 507 N LYS A 32 -14.194 7.846 5.231 1.00 3.12 N ATOM 508 CA LYS A 32 -13.865 6.599 4.552 1.00 62.34 C ATOM 509 C LYS A 32 -12.550 6.026 5.071 1.00 3.50 C ATOM 510 O LYS A 32 -12.336 4.814 5.048 1.00 11.24 O ATOM 511 CB LYS A 32 -13.773 6.826 3.041 1.00 71.21 C ATOM 512 CG LYS A 32 -12.478 7.489 2.603 1.00 75.50 C ATOM 513 CD LYS A 32 -11.442 6.461 2.180 1.00 44.51 C ATOM 514 CE LYS A 32 -10.501 7.021 1.124 1.00 52.33 C ATOM 515 NZ LYS A 32 -11.221 7.367 -0.133 1.00 74.42 N ATOM 0 H LYS A 32 -14.166 8.672 4.633 1.00 3.12 H new ATOM 0 HA LYS A 32 -14.660 5.882 4.759 1.00 62.34 H new ATOM 0 HB2 LYS A 32 -13.871 5.867 2.531 1.00 71.21 H new ATOM 0 HB3 LYS A 32 -14.613 7.443 2.723 1.00 71.21 H new ATOM 0 HG2 LYS A 32 -12.678 8.168 1.774 1.00 75.50 H new ATOM 0 HG3 LYS A 32 -12.082 8.091 3.420 1.00 75.50 H new ATOM 0 HD2 LYS A 32 -10.867 6.143 3.050 1.00 44.51 H new ATOM 0 HD3 LYS A 32 -11.944 5.576 1.789 1.00 44.51 H new ATOM 0 HE2 LYS A 32 -10.004 7.909 1.514 1.00 52.33 H new ATOM 0 HE3 LYS A 32 -9.722 6.290 0.907 1.00 52.33 H new ATOM 0 HZ1 LYS A 32 -10.842 6.799 -0.918 1.00 74.42 H new ATOM 0 HZ2 LYS A 32 -12.235 7.166 -0.019 1.00 74.42 H new ATOM 0 HZ3 LYS A 32 -11.090 8.377 -0.341 1.00 74.42 H new ATOM 529 N LYS A 33 -11.671 6.906 5.540 1.00 13.12 N ATOM 530 CA LYS A 33 -10.378 6.489 6.068 1.00 2.24 C ATOM 531 C LYS A 33 -10.553 5.519 7.232 1.00 24.50 C ATOM 532 O LYS A 33 -9.631 4.780 7.580 1.00 72.20 O ATOM 533 CB LYS A 33 -9.573 7.708 6.524 1.00 42.41 C ATOM 534 CG LYS A 33 -8.451 8.086 5.573 1.00 42.45 C ATOM 535 CD LYS A 33 -8.087 9.557 5.696 1.00 63.52 C ATOM 536 CE LYS A 33 -7.019 9.779 6.756 1.00 44.25 C ATOM 537 NZ LYS A 33 -7.334 10.947 7.624 1.00 41.10 N ATOM 0 H LYS A 33 -11.831 7.913 5.565 1.00 13.12 H new ATOM 0 HA LYS A 33 -9.836 5.980 5.271 1.00 2.24 H new ATOM 0 HB2 LYS A 33 -10.247 8.558 6.634 1.00 42.41 H new ATOM 0 HB3 LYS A 33 -9.151 7.507 7.509 1.00 42.41 H new ATOM 0 HG2 LYS A 33 -7.574 7.474 5.783 1.00 42.45 H new ATOM 0 HG3 LYS A 33 -8.753 7.869 4.548 1.00 42.45 H new ATOM 0 HD2 LYS A 33 -7.730 9.926 4.735 1.00 63.52 H new ATOM 0 HD3 LYS A 33 -8.977 10.134 5.948 1.00 63.52 H new ATOM 0 HE2 LYS A 33 -6.926 8.884 7.371 1.00 44.25 H new ATOM 0 HE3 LYS A 33 -6.055 9.935 6.273 1.00 44.25 H new ATOM 0 HZ1 LYS A 33 -6.583 11.065 8.333 1.00 41.10 H new ATOM 0 HZ2 LYS A 33 -7.398 11.806 7.041 1.00 41.10 H new ATOM 0 HZ3 LYS A 33 -8.242 10.787 8.105 1.00 41.10 H new ATOM 551 N ARG A 34 -11.740 5.525 7.829 1.00 71.34 N ATOM 552 CA ARG A 34 -12.035 4.644 8.953 1.00 40.43 C ATOM 553 C ARG A 34 -12.327 3.226 8.471 1.00 41.32 C ATOM 554 O ARG A 34 -12.535 2.318 9.274 1.00 54.02 O ATOM 555 CB ARG A 34 -13.227 5.180 9.748 1.00 30.32 C ATOM 556 CG ARG A 34 -14.574 4.754 9.187 1.00 30.14 C ATOM 557 CD ARG A 34 -15.681 5.704 9.617 1.00 75.44 C ATOM 558 NE ARG A 34 -16.207 5.370 10.938 1.00 72.14 N ATOM 559 CZ ARG A 34 -17.395 5.770 11.378 1.00 20.52 C ATOM 560 NH1 ARG A 34 -18.176 6.513 10.607 1.00 71.01 N ATOM 561 NH2 ARG A 34 -17.804 5.425 12.593 1.00 63.03 N ATOM 0 H ARG A 34 -12.513 6.130 7.553 1.00 71.34 H new ATOM 0 HA ARG A 34 -11.158 4.615 9.600 1.00 40.43 H new ATOM 0 HB2 ARG A 34 -13.148 4.838 10.780 1.00 30.32 H new ATOM 0 HB3 ARG A 34 -13.179 6.269 9.769 1.00 30.32 H new ATOM 0 HG2 ARG A 34 -14.523 4.722 8.099 1.00 30.14 H new ATOM 0 HG3 ARG A 34 -14.808 3.744 9.525 1.00 30.14 H new ATOM 0 HD2 ARG A 34 -15.299 6.725 9.626 1.00 75.44 H new ATOM 0 HD3 ARG A 34 -16.489 5.673 8.887 1.00 75.44 H new ATOM 0 HE ARG A 34 -15.631 4.799 11.556 1.00 72.14 H new ATOM 0 HH11 ARG A 34 -17.866 6.779 9.673 1.00 71.01 H new ATOM 0 HH12 ARG A 34 -19.088 6.818 10.948 1.00 71.01 H new ATOM 0 HH21 ARG A 34 -17.206 4.853 13.189 1.00 63.03 H new ATOM 0 HH22 ARG A 34 -18.716 5.732 12.930 1.00 63.03 H new ATOM 575 N ASN A 35 -12.340 3.045 7.154 1.00 15.41 N ATOM 576 CA ASN A 35 -12.608 1.738 6.565 1.00 40.30 C ATOM 577 C ASN A 35 -11.566 1.396 5.505 1.00 63.12 C ATOM 578 O ASN A 35 -10.800 0.444 5.657 1.00 13.41 O ATOM 579 CB ASN A 35 -14.008 1.711 5.948 1.00 63.23 C ATOM 580 CG ASN A 35 -14.757 0.432 6.270 1.00 3.32 C ATOM 581 OD1 ASN A 35 -14.447 -0.633 5.736 1.00 15.01 O ATOM 582 ND2 ASN A 35 -15.748 0.533 7.148 1.00 72.12 N ATOM 0 H ASN A 35 -12.168 3.787 6.475 1.00 15.41 H new ATOM 0 HA ASN A 35 -12.553 0.991 7.357 1.00 40.30 H new ATOM 0 HB2 ASN A 35 -14.579 2.565 6.312 1.00 63.23 H new ATOM 0 HB3 ASN A 35 -13.928 1.819 4.866 1.00 63.23 H new ATOM 0 HD21 ASN A 35 -16.288 -0.293 7.405 1.00 72.12 H new ATOM 0 HD22 ASN A 35 -15.969 1.437 7.565 1.00 72.12 H new ATOM 589 N MET A 36 -11.542 2.179 4.431 1.00 34.12 N ATOM 590 CA MET A 36 -10.593 1.960 3.346 1.00 23.43 C ATOM 591 C MET A 36 -9.821 3.237 3.033 1.00 41.41 C ATOM 592 O MET A 36 -10.074 3.915 2.037 1.00 44.14 O ATOM 593 CB MET A 36 -11.321 1.470 2.093 1.00 33.44 C ATOM 594 CG MET A 36 -10.453 0.621 1.179 1.00 74.52 C ATOM 595 SD MET A 36 -10.870 -1.132 1.257 1.00 64.14 S ATOM 596 CE MET A 36 -9.969 -1.629 2.723 1.00 34.21 C ATOM 0 H MET A 36 -12.169 2.971 4.289 1.00 34.12 H new ATOM 0 HA MET A 36 -9.884 1.197 3.666 1.00 23.43 H new ATOM 0 HB2 MET A 36 -12.194 0.890 2.393 1.00 33.44 H new ATOM 0 HB3 MET A 36 -11.687 2.332 1.535 1.00 33.44 H new ATOM 0 HG2 MET A 36 -10.562 0.971 0.153 1.00 74.52 H new ATOM 0 HG3 MET A 36 -9.406 0.754 1.452 1.00 74.52 H new ATOM 0 HE1 MET A 36 -10.084 -2.702 2.874 1.00 34.21 H new ATOM 0 HE2 MET A 36 -8.913 -1.391 2.599 1.00 34.21 H new ATOM 0 HE3 MET A 36 -10.362 -1.097 3.589 1.00 34.21 H new ATOM 606 N PRO A 37 -8.857 3.576 3.902 1.00 11.01 N ATOM 607 CA PRO A 37 -8.029 4.774 3.738 1.00 1.55 C ATOM 608 C PRO A 37 -7.064 4.656 2.564 1.00 42.21 C ATOM 609 O PRO A 37 -6.565 3.571 2.264 1.00 24.31 O ATOM 610 CB PRO A 37 -7.258 4.856 5.058 1.00 23.42 C ATOM 611 CG PRO A 37 -7.216 3.453 5.559 1.00 4.22 C ATOM 612 CD PRO A 37 -8.501 2.815 5.111 1.00 33.24 C ATOM 0 HA PRO A 37 -8.630 5.658 3.524 1.00 1.55 H new ATOM 0 HB2 PRO A 37 -6.254 5.253 4.906 1.00 23.42 H new ATOM 0 HB3 PRO A 37 -7.757 5.515 5.768 1.00 23.42 H new ATOM 0 HG2 PRO A 37 -6.355 2.920 5.156 1.00 4.22 H new ATOM 0 HG3 PRO A 37 -7.126 3.429 6.645 1.00 4.22 H new ATOM 0 HD2 PRO A 37 -8.369 1.755 4.894 1.00 33.24 H new ATOM 0 HD3 PRO A 37 -9.275 2.890 5.875 1.00 33.24 H new ATOM 620 N LEU A 38 -6.804 5.778 1.902 1.00 14.51 N ATOM 621 CA LEU A 38 -5.898 5.801 0.760 1.00 64.24 C ATOM 622 C LEU A 38 -4.452 5.975 1.215 1.00 53.22 C ATOM 623 O LEU A 38 -4.155 5.905 2.407 1.00 41.01 O ATOM 624 CB LEU A 38 -6.282 6.929 -0.200 1.00 21.25 C ATOM 625 CG LEU A 38 -6.769 6.497 -1.583 1.00 33.31 C ATOM 626 CD1 LEU A 38 -5.718 5.646 -2.278 1.00 23.34 C ATOM 627 CD2 LEU A 38 -8.084 5.738 -1.472 1.00 41.44 C ATOM 0 H LEU A 38 -7.208 6.684 2.137 1.00 14.51 H new ATOM 0 HA LEU A 38 -5.984 4.846 0.241 1.00 64.24 H new ATOM 0 HB2 LEU A 38 -7.064 7.527 0.268 1.00 21.25 H new ATOM 0 HB3 LEU A 38 -5.417 7.580 -0.328 1.00 21.25 H new ATOM 0 HG LEU A 38 -6.937 7.391 -2.183 1.00 33.31 H new ATOM 0 HD11 LEU A 38 -6.083 5.348 -3.261 1.00 23.34 H new ATOM 0 HD12 LEU A 38 -4.800 6.222 -2.391 1.00 23.34 H new ATOM 0 HD13 LEU A 38 -5.517 4.757 -1.681 1.00 23.34 H new ATOM 0 HD21 LEU A 38 -8.416 5.438 -2.466 1.00 41.44 H new ATOM 0 HD22 LEU A 38 -7.941 4.851 -0.854 1.00 41.44 H new ATOM 0 HD23 LEU A 38 -8.838 6.380 -1.016 1.00 41.44 H new ATOM 639 N GLN A 39 -3.559 6.205 0.257 1.00 34.44 N ATOM 640 CA GLN A 39 -2.145 6.391 0.561 1.00 74.40 C ATOM 641 C GLN A 39 -1.901 7.754 1.200 1.00 24.41 C ATOM 642 O GLN A 39 -1.088 7.884 2.115 1.00 20.14 O ATOM 643 CB GLN A 39 -1.307 6.252 -0.711 1.00 4.33 C ATOM 644 CG GLN A 39 0.154 6.629 -0.520 1.00 71.51 C ATOM 645 CD GLN A 39 0.525 7.910 -1.241 1.00 25.55 C ATOM 646 OE1 GLN A 39 0.036 8.183 -2.337 1.00 64.00 O ATOM 647 NE2 GLN A 39 1.395 8.704 -0.627 1.00 30.54 N ATOM 0 H GLN A 39 -3.789 6.267 -0.735 1.00 34.44 H new ATOM 0 HA GLN A 39 -1.846 5.619 1.271 1.00 74.40 H new ATOM 0 HB2 GLN A 39 -1.365 5.222 -1.064 1.00 4.33 H new ATOM 0 HB3 GLN A 39 -1.737 6.881 -1.490 1.00 4.33 H new ATOM 0 HG2 GLN A 39 0.360 6.743 0.544 1.00 71.51 H new ATOM 0 HG3 GLN A 39 0.785 5.817 -0.882 1.00 71.51 H new ATOM 0 HE21 GLN A 39 1.775 8.438 0.281 1.00 30.54 H new ATOM 0 HE22 GLN A 39 1.683 9.580 -1.064 1.00 30.54 H new ATOM 656 N SER A 40 -2.609 8.767 0.711 1.00 24.32 N ATOM 657 CA SER A 40 -2.465 10.121 1.232 1.00 51.21 C ATOM 658 C SER A 40 -3.666 10.981 0.849 1.00 71.51 C ATOM 659 O SER A 40 -4.534 11.258 1.677 1.00 30.43 O ATOM 660 CB SER A 40 -1.178 10.759 0.705 1.00 53.23 C ATOM 661 OG SER A 40 -1.177 12.160 0.922 1.00 73.50 O ATOM 0 H SER A 40 -3.288 8.676 -0.045 1.00 24.32 H new ATOM 0 HA SER A 40 -2.414 10.062 2.319 1.00 51.21 H new ATOM 0 HB2 SER A 40 -0.317 10.311 1.200 1.00 53.23 H new ATOM 0 HB3 SER A 40 -1.076 10.553 -0.360 1.00 53.23 H new ATOM 0 HG SER A 40 -0.343 12.544 0.578 1.00 73.50 H new ATOM 667 N ILE A 41 -3.708 11.399 -0.411 1.00 73.05 N ATOM 668 CA ILE A 41 -4.803 12.226 -0.905 1.00 64.31 C ATOM 669 C ILE A 41 -5.639 11.473 -1.934 1.00 74.00 C ATOM 670 O ILE A 41 -5.300 11.402 -3.115 1.00 42.53 O ATOM 671 CB ILE A 41 -4.282 13.529 -1.538 1.00 41.53 C ATOM 672 CG1 ILE A 41 -3.410 14.294 -0.540 1.00 14.31 C ATOM 673 CG2 ILE A 41 -5.444 14.393 -2.005 1.00 34.20 C ATOM 674 CD1 ILE A 41 -4.126 14.639 0.747 1.00 34.12 C ATOM 0 H ILE A 41 -2.997 11.179 -1.109 1.00 73.05 H new ATOM 0 HA ILE A 41 -5.426 12.473 -0.045 1.00 64.31 H new ATOM 0 HB ILE A 41 -3.672 13.275 -2.405 1.00 41.53 H new ATOM 0 HG12 ILE A 41 -2.529 13.696 -0.307 1.00 14.31 H new ATOM 0 HG13 ILE A 41 -3.057 15.213 -1.008 1.00 14.31 H new ATOM 0 HG21 ILE A 41 -5.059 15.311 -2.450 1.00 34.20 H new ATOM 0 HG22 ILE A 41 -6.028 13.847 -2.746 1.00 34.20 H new ATOM 0 HG23 ILE A 41 -6.078 14.641 -1.154 1.00 34.20 H new ATOM 0 HD11 ILE A 41 -3.448 15.180 1.407 1.00 34.12 H new ATOM 0 HD12 ILE A 41 -4.992 15.263 0.526 1.00 34.12 H new ATOM 0 HD13 ILE A 41 -4.455 13.723 1.237 1.00 34.12 H new ATOM 686 N PRO A 42 -6.762 10.897 -1.477 1.00 45.53 N ATOM 687 CA PRO A 42 -7.672 10.141 -2.342 1.00 51.53 C ATOM 688 C PRO A 42 -8.416 11.039 -3.326 1.00 22.52 C ATOM 689 O PRO A 42 -9.259 11.842 -2.930 1.00 55.23 O ATOM 690 CB PRO A 42 -8.652 9.503 -1.354 1.00 41.43 C ATOM 691 CG PRO A 42 -8.629 10.400 -0.165 1.00 41.42 C ATOM 692 CD PRO A 42 -7.228 10.941 -0.081 1.00 72.03 C ATOM 0 HA PRO A 42 -7.140 9.419 -2.962 1.00 51.53 H new ATOM 0 HB2 PRO A 42 -9.654 9.434 -1.779 1.00 41.43 H new ATOM 0 HB3 PRO A 42 -8.347 8.490 -1.092 1.00 41.43 H new ATOM 0 HG2 PRO A 42 -9.353 11.208 -0.271 1.00 41.42 H new ATOM 0 HG3 PRO A 42 -8.891 9.854 0.741 1.00 41.42 H new ATOM 0 HD2 PRO A 42 -7.212 11.956 0.316 1.00 72.03 H new ATOM 0 HD3 PRO A 42 -6.601 10.333 0.571 1.00 72.03 H new ATOM 700 N GLU A 43 -8.097 10.895 -4.608 1.00 71.24 N ATOM 701 CA GLU A 43 -8.736 11.693 -5.648 1.00 11.53 C ATOM 702 C GLU A 43 -8.747 10.947 -6.978 1.00 65.35 C ATOM 703 O GLU A 43 -7.787 10.256 -7.322 1.00 22.11 O ATOM 704 CB GLU A 43 -8.015 13.033 -5.808 1.00 0.51 C ATOM 705 CG GLU A 43 -8.952 14.202 -6.063 1.00 42.15 C ATOM 706 CD GLU A 43 -9.763 14.032 -7.333 1.00 55.31 C ATOM 707 OE1 GLU A 43 -9.227 14.324 -8.423 1.00 31.33 O ATOM 708 OE2 GLU A 43 -10.934 13.609 -7.237 1.00 71.34 O ATOM 0 H GLU A 43 -7.400 10.234 -4.951 1.00 71.24 H new ATOM 0 HA GLU A 43 -9.767 11.877 -5.347 1.00 11.53 H new ATOM 0 HB2 GLU A 43 -7.434 13.233 -4.907 1.00 0.51 H new ATOM 0 HB3 GLU A 43 -7.307 12.959 -6.634 1.00 0.51 H new ATOM 0 HG2 GLU A 43 -9.629 14.312 -5.216 1.00 42.15 H new ATOM 0 HG3 GLU A 43 -8.371 15.122 -6.128 1.00 42.15 H new ATOM 715 N ILE A 44 -9.838 11.091 -7.722 1.00 71.33 N ATOM 716 CA ILE A 44 -9.974 10.431 -9.015 1.00 24.21 C ATOM 717 C ILE A 44 -10.853 11.244 -9.958 1.00 13.50 C ATOM 718 O ILE A 44 -12.045 11.425 -9.711 1.00 42.41 O ATOM 719 CB ILE A 44 -10.569 9.018 -8.866 1.00 50.22 C ATOM 720 CG1 ILE A 44 -9.701 8.171 -7.934 1.00 30.32 C ATOM 721 CG2 ILE A 44 -10.700 8.352 -10.228 1.00 4.51 C ATOM 722 CD1 ILE A 44 -10.228 6.768 -7.726 1.00 53.22 C ATOM 0 H ILE A 44 -10.641 11.659 -7.452 1.00 71.33 H new ATOM 0 HA ILE A 44 -8.971 10.352 -9.435 1.00 24.21 H new ATOM 0 HB ILE A 44 -11.563 9.103 -8.428 1.00 50.22 H new ATOM 0 HG12 ILE A 44 -8.692 8.115 -8.342 1.00 30.32 H new ATOM 0 HG13 ILE A 44 -9.626 8.669 -6.967 1.00 30.32 H new ATOM 0 HG21 ILE A 44 -11.122 7.354 -10.106 1.00 4.51 H new ATOM 0 HG22 ILE A 44 -11.356 8.948 -10.863 1.00 4.51 H new ATOM 0 HG23 ILE A 44 -9.717 8.276 -10.692 1.00 4.51 H new ATOM 0 HD11 ILE A 44 -9.563 6.225 -7.055 1.00 53.22 H new ATOM 0 HD12 ILE A 44 -11.225 6.815 -7.289 1.00 53.22 H new ATOM 0 HD13 ILE A 44 -10.276 6.252 -8.685 1.00 53.22 H new ATOM 734 N GLY A 45 -10.257 11.732 -11.042 1.00 0.22 N ATOM 735 CA GLY A 45 -11.001 12.520 -12.007 1.00 75.51 C ATOM 736 C GLY A 45 -10.700 14.001 -11.903 1.00 3.42 C ATOM 737 O GLY A 45 -9.873 14.527 -12.647 1.00 21.12 O ATOM 0 H GLY A 45 -9.272 11.595 -11.269 1.00 0.22 H new ATOM 0 HA2 GLY A 45 -10.764 12.174 -13.013 1.00 75.51 H new ATOM 0 HA3 GLY A 45 -12.069 12.358 -11.857 1.00 75.51 H new ATOM 741 N ASN A 46 -11.373 14.677 -10.978 1.00 13.24 N ATOM 742 CA ASN A 46 -11.174 16.108 -10.780 1.00 54.43 C ATOM 743 C ASN A 46 -12.071 16.633 -9.663 1.00 53.43 C ATOM 744 O ASN A 46 -12.628 17.727 -9.763 1.00 21.04 O ATOM 745 CB ASN A 46 -11.459 16.868 -12.078 1.00 33.33 C ATOM 746 CG ASN A 46 -12.773 16.455 -12.713 1.00 20.32 C ATOM 747 OD1 ASN A 46 -13.825 17.017 -12.411 1.00 14.55 O ATOM 748 ND2 ASN A 46 -12.717 15.467 -13.598 1.00 71.51 N ATOM 0 H ASN A 46 -12.061 14.257 -10.353 1.00 13.24 H new ATOM 0 HA ASN A 46 -10.135 16.269 -10.493 1.00 54.43 H new ATOM 0 HB2 ASN A 46 -11.478 17.938 -11.872 1.00 33.33 H new ATOM 0 HB3 ASN A 46 -10.647 16.694 -12.784 1.00 33.33 H new ATOM 0 HD21 ASN A 46 -13.569 15.145 -14.058 1.00 71.51 H new ATOM 0 HD22 ASN A 46 -11.822 15.030 -13.818 1.00 71.51 H new ATOM 755 N ARG A 47 -12.206 15.846 -8.601 1.00 1.52 N ATOM 756 CA ARG A 47 -13.035 16.231 -7.465 1.00 52.32 C ATOM 757 C ARG A 47 -14.500 16.349 -7.877 1.00 2.41 C ATOM 758 O ARG A 47 -14.886 17.287 -8.576 1.00 31.43 O ATOM 759 CB ARG A 47 -12.551 17.559 -6.879 1.00 65.40 C ATOM 760 CG ARG A 47 -11.038 17.657 -6.763 1.00 12.00 C ATOM 761 CD ARG A 47 -10.614 18.961 -6.107 1.00 4.44 C ATOM 762 NE ARG A 47 -11.064 20.127 -6.863 1.00 62.31 N ATOM 763 CZ ARG A 47 -10.561 20.477 -8.041 1.00 44.34 C ATOM 764 NH1 ARG A 47 -9.596 19.756 -8.595 1.00 61.21 N ATOM 765 NH2 ARG A 47 -11.023 21.551 -8.669 1.00 2.44 N ATOM 0 H ARG A 47 -11.752 14.938 -8.503 1.00 1.52 H new ATOM 0 HA ARG A 47 -12.950 15.454 -6.705 1.00 52.32 H new ATOM 0 HB2 ARG A 47 -12.913 18.376 -7.504 1.00 65.40 H new ATOM 0 HB3 ARG A 47 -12.992 17.693 -5.891 1.00 65.40 H new ATOM 0 HG2 ARG A 47 -10.661 16.816 -6.181 1.00 12.00 H new ATOM 0 HG3 ARG A 47 -10.590 17.584 -7.754 1.00 12.00 H new ATOM 0 HD2 ARG A 47 -11.019 19.006 -5.096 1.00 4.44 H new ATOM 0 HD3 ARG A 47 -9.528 18.985 -6.017 1.00 4.44 H new ATOM 0 HE ARG A 47 -11.805 20.704 -6.464 1.00 62.31 H new ATOM 0 HH11 ARG A 47 -9.238 18.930 -8.116 1.00 61.21 H new ATOM 0 HH12 ARG A 47 -9.212 20.028 -9.500 1.00 61.21 H new ATOM 0 HH21 ARG A 47 -11.765 22.109 -8.247 1.00 2.44 H new ATOM 0 HH22 ARG A 47 -10.636 21.819 -9.574 1.00 2.44 H new ATOM 779 N LYS A 48 -15.311 15.392 -7.440 1.00 1.35 N ATOM 780 CA LYS A 48 -16.733 15.388 -7.761 1.00 31.11 C ATOM 781 C LYS A 48 -17.554 14.854 -6.591 1.00 64.32 C ATOM 782 O LYS A 48 -18.721 14.497 -6.752 1.00 32.11 O ATOM 783 CB LYS A 48 -16.992 14.541 -9.009 1.00 35.44 C ATOM 784 CG LYS A 48 -16.972 15.339 -10.301 1.00 24.51 C ATOM 785 CD LYS A 48 -16.778 14.438 -11.509 1.00 74.13 C ATOM 786 CE LYS A 48 -16.033 15.154 -12.625 1.00 10.41 C ATOM 787 NZ LYS A 48 -16.622 14.863 -13.961 1.00 44.25 N ATOM 0 H LYS A 48 -15.007 14.608 -6.862 1.00 1.35 H new ATOM 0 HA LYS A 48 -17.039 16.416 -7.957 1.00 31.11 H new ATOM 0 HB2 LYS A 48 -16.240 13.754 -9.066 1.00 35.44 H new ATOM 0 HB3 LYS A 48 -17.960 14.050 -8.910 1.00 35.44 H new ATOM 0 HG2 LYS A 48 -17.906 15.891 -10.404 1.00 24.51 H new ATOM 0 HG3 LYS A 48 -16.169 16.076 -10.263 1.00 24.51 H new ATOM 0 HD2 LYS A 48 -16.224 13.547 -11.214 1.00 74.13 H new ATOM 0 HD3 LYS A 48 -17.749 14.104 -11.874 1.00 74.13 H new ATOM 0 HE2 LYS A 48 -16.055 16.229 -12.445 1.00 10.41 H new ATOM 0 HE3 LYS A 48 -14.986 14.850 -12.616 1.00 10.41 H new ATOM 0 HZ1 LYS A 48 -15.960 14.281 -14.513 1.00 44.25 H new ATOM 0 HZ2 LYS A 48 -17.518 14.349 -13.841 1.00 44.25 H new ATOM 0 HZ3 LYS A 48 -16.800 15.756 -14.464 1.00 44.25 H new ATOM 801 N ILE A 49 -16.936 14.803 -5.416 1.00 32.22 N ATOM 802 CA ILE A 49 -17.611 14.315 -4.220 1.00 30.35 C ATOM 803 C ILE A 49 -18.389 15.432 -3.533 1.00 0.03 C ATOM 804 O ILE A 49 -19.069 15.205 -2.533 1.00 23.12 O ATOM 805 CB ILE A 49 -16.611 13.709 -3.217 1.00 33.02 C ATOM 806 CG1 ILE A 49 -15.447 13.049 -3.959 1.00 54.11 C ATOM 807 CG2 ILE A 49 -17.310 12.703 -2.315 1.00 20.34 C ATOM 808 CD1 ILE A 49 -15.887 12.029 -4.986 1.00 45.33 C ATOM 0 H ILE A 49 -15.970 15.093 -5.267 1.00 32.22 H new ATOM 0 HA ILE A 49 -18.304 13.539 -4.544 1.00 30.35 H new ATOM 0 HB ILE A 49 -16.212 14.510 -2.595 1.00 33.02 H new ATOM 0 HG12 ILE A 49 -14.858 13.821 -4.454 1.00 54.11 H new ATOM 0 HG13 ILE A 49 -14.793 12.564 -3.234 1.00 54.11 H new ATOM 0 HG21 ILE A 49 -16.591 12.283 -1.612 1.00 20.34 H new ATOM 0 HG22 ILE A 49 -18.108 13.201 -1.764 1.00 20.34 H new ATOM 0 HG23 ILE A 49 -17.733 11.903 -2.922 1.00 20.34 H new ATOM 0 HD11 ILE A 49 -15.011 11.602 -5.473 1.00 45.33 H new ATOM 0 HD12 ILE A 49 -16.451 11.237 -4.494 1.00 45.33 H new ATOM 0 HD13 ILE A 49 -16.517 12.513 -5.732 1.00 45.33 H new ATOM 820 N ASN A 50 -18.285 16.640 -4.078 1.00 32.30 N ATOM 821 CA ASN A 50 -18.980 17.793 -3.518 1.00 53.24 C ATOM 822 C ASN A 50 -20.471 17.739 -3.840 1.00 63.02 C ATOM 823 O ASN A 50 -20.879 17.155 -4.845 1.00 34.02 O ATOM 824 CB ASN A 50 -18.377 19.091 -4.060 1.00 70.45 C ATOM 825 CG ASN A 50 -19.021 20.324 -3.458 1.00 34.04 C ATOM 826 OD1 ASN A 50 -19.390 21.257 -4.171 1.00 51.01 O ATOM 827 ND2 ASN A 50 -19.160 20.333 -2.137 1.00 2.41 N ATOM 0 H ASN A 50 -17.726 16.845 -4.906 1.00 32.30 H new ATOM 0 HA ASN A 50 -18.859 17.768 -2.435 1.00 53.24 H new ATOM 0 HB2 ASN A 50 -17.307 19.106 -3.853 1.00 70.45 H new ATOM 0 HB3 ASN A 50 -18.492 19.117 -5.144 1.00 70.45 H new ATOM 0 HD21 ASN A 50 -19.587 21.136 -1.675 1.00 2.41 H new ATOM 0 HD22 ASN A 50 -18.840 19.537 -1.585 1.00 2.41 H new ATOM 834 N LEU A 51 -21.278 18.352 -2.982 1.00 32.34 N ATOM 835 CA LEU A 51 -22.724 18.374 -3.174 1.00 11.50 C ATOM 836 C LEU A 51 -23.107 19.311 -4.315 1.00 41.04 C ATOM 837 O LEU A 51 -24.180 19.182 -4.905 1.00 30.00 O ATOM 838 CB LEU A 51 -23.423 18.811 -1.885 1.00 71.51 C ATOM 839 CG LEU A 51 -24.913 19.132 -2.005 1.00 50.54 C ATOM 840 CD1 LEU A 51 -25.707 17.875 -2.323 1.00 20.22 C ATOM 841 CD2 LEU A 51 -25.424 19.779 -0.726 1.00 41.33 C ATOM 0 H LEU A 51 -20.956 18.841 -2.146 1.00 32.34 H new ATOM 0 HA LEU A 51 -23.047 17.365 -3.432 1.00 11.50 H new ATOM 0 HB2 LEU A 51 -23.300 18.022 -1.143 1.00 71.51 H new ATOM 0 HB3 LEU A 51 -22.912 19.693 -1.499 1.00 71.51 H new ATOM 0 HG LEU A 51 -25.048 19.838 -2.824 1.00 50.54 H new ATOM 0 HD11 LEU A 51 -26.765 18.124 -2.404 1.00 20.22 H new ATOM 0 HD12 LEU A 51 -25.360 17.454 -3.267 1.00 20.22 H new ATOM 0 HD13 LEU A 51 -25.566 17.145 -1.526 1.00 20.22 H new ATOM 0 HD21 LEU A 51 -26.486 20.001 -0.830 1.00 41.33 H new ATOM 0 HD22 LEU A 51 -25.275 19.097 0.111 1.00 41.33 H new ATOM 0 HD23 LEU A 51 -24.877 20.704 -0.542 1.00 41.33 H new ATOM 853 N PHE A 52 -22.221 20.253 -4.624 1.00 33.34 N ATOM 854 CA PHE A 52 -22.466 21.211 -5.696 1.00 23.43 C ATOM 855 C PHE A 52 -21.847 20.730 -7.005 1.00 53.34 C ATOM 856 O PHE A 52 -22.392 20.965 -8.084 1.00 60.14 O ATOM 857 CB PHE A 52 -21.897 22.581 -5.323 1.00 15.42 C ATOM 858 CG PHE A 52 -22.581 23.723 -6.020 1.00 5.22 C ATOM 859 CD1 PHE A 52 -22.153 24.145 -7.268 1.00 54.25 C ATOM 860 CD2 PHE A 52 -23.649 24.375 -5.426 1.00 35.21 C ATOM 861 CE1 PHE A 52 -22.780 25.195 -7.913 1.00 10.32 C ATOM 862 CE2 PHE A 52 -24.280 25.425 -6.066 1.00 12.14 C ATOM 863 CZ PHE A 52 -23.844 25.837 -7.310 1.00 32.31 C ATOM 0 H PHE A 52 -21.327 20.373 -4.147 1.00 33.34 H new ATOM 0 HA PHE A 52 -23.544 21.298 -5.834 1.00 23.43 H new ATOM 0 HB2 PHE A 52 -21.982 22.720 -4.245 1.00 15.42 H new ATOM 0 HB3 PHE A 52 -20.834 22.602 -5.564 1.00 15.42 H new ATOM 0 HD1 PHE A 52 -21.320 23.648 -7.743 1.00 54.25 H new ATOM 0 HD2 PHE A 52 -23.992 24.059 -4.452 1.00 35.21 H new ATOM 0 HE1 PHE A 52 -22.438 25.513 -8.887 1.00 10.32 H new ATOM 0 HE2 PHE A 52 -25.114 25.923 -5.593 1.00 12.14 H new ATOM 0 HZ PHE A 52 -24.334 26.659 -7.810 1.00 32.31 H new ATOM 873 N TYR A 53 -20.707 20.058 -6.902 1.00 64.33 N ATOM 874 CA TYR A 53 -20.012 19.547 -8.078 1.00 24.22 C ATOM 875 C TYR A 53 -20.737 18.336 -8.656 1.00 31.40 C ATOM 876 O TYR A 53 -21.032 18.285 -9.851 1.00 2.31 O ATOM 877 CB TYR A 53 -18.572 19.171 -7.722 1.00 52.11 C ATOM 878 CG TYR A 53 -17.623 19.231 -8.897 1.00 44.12 C ATOM 879 CD1 TYR A 53 -17.819 18.431 -10.016 1.00 52.52 C ATOM 880 CD2 TYR A 53 -16.529 20.089 -8.889 1.00 32.53 C ATOM 881 CE1 TYR A 53 -16.954 18.483 -11.092 1.00 24.44 C ATOM 882 CE2 TYR A 53 -15.659 20.147 -9.960 1.00 53.43 C ATOM 883 CZ TYR A 53 -15.875 19.342 -11.059 1.00 54.20 C ATOM 884 OH TYR A 53 -15.012 19.397 -12.129 1.00 2.11 O ATOM 0 H TYR A 53 -20.244 19.854 -6.016 1.00 64.33 H new ATOM 0 HA TYR A 53 -20.000 20.334 -8.832 1.00 24.22 H new ATOM 0 HB2 TYR A 53 -18.213 19.841 -6.941 1.00 52.11 H new ATOM 0 HB3 TYR A 53 -18.560 18.163 -7.307 1.00 52.11 H new ATOM 0 HD1 TYR A 53 -18.662 17.757 -10.045 1.00 52.52 H new ATOM 0 HD2 TYR A 53 -16.357 20.721 -8.030 1.00 32.53 H new ATOM 0 HE1 TYR A 53 -17.122 17.855 -11.954 1.00 24.44 H new ATOM 0 HE2 TYR A 53 -14.814 20.819 -9.937 1.00 53.43 H new ATOM 0 HH TYR A 53 -14.756 18.488 -12.390 1.00 2.11 H new ATOM 894 N LEU A 54 -21.023 17.361 -7.799 1.00 41.24 N ATOM 895 CA LEU A 54 -21.715 16.149 -8.223 1.00 30.11 C ATOM 896 C LEU A 54 -23.071 16.482 -8.837 1.00 43.24 C ATOM 897 O LEU A 54 -23.539 15.793 -9.744 1.00 33.24 O ATOM 898 CB LEU A 54 -21.899 15.202 -7.036 1.00 14.14 C ATOM 899 CG LEU A 54 -21.910 13.709 -7.363 1.00 61.44 C ATOM 900 CD1 LEU A 54 -21.659 12.885 -6.110 1.00 4.23 C ATOM 901 CD2 LEU A 54 -23.231 13.313 -8.008 1.00 4.24 C ATOM 0 H LEU A 54 -20.786 17.387 -6.807 1.00 41.24 H new ATOM 0 HA LEU A 54 -21.105 15.658 -8.981 1.00 30.11 H new ATOM 0 HB2 LEU A 54 -21.100 15.390 -6.319 1.00 14.14 H new ATOM 0 HB3 LEU A 54 -22.837 15.452 -6.540 1.00 14.14 H new ATOM 0 HG LEU A 54 -21.107 13.507 -8.072 1.00 61.44 H new ATOM 0 HD11 LEU A 54 -21.671 11.825 -6.363 1.00 4.23 H new ATOM 0 HD12 LEU A 54 -20.688 13.147 -5.691 1.00 4.23 H new ATOM 0 HD13 LEU A 54 -22.439 13.091 -5.377 1.00 4.23 H new ATOM 0 HD21 LEU A 54 -23.220 12.247 -8.234 1.00 4.24 H new ATOM 0 HD22 LEU A 54 -24.050 13.531 -7.323 1.00 4.24 H new ATOM 0 HD23 LEU A 54 -23.369 13.878 -8.930 1.00 4.24 H new ATOM 913 N TYR A 55 -23.695 17.544 -8.340 1.00 43.21 N ATOM 914 CA TYR A 55 -24.997 17.969 -8.840 1.00 3.21 C ATOM 915 C TYR A 55 -24.858 18.692 -10.176 1.00 42.41 C ATOM 916 O TYR A 55 -25.600 18.424 -11.120 1.00 34.31 O ATOM 917 CB TYR A 55 -25.684 18.882 -7.823 1.00 21.34 C ATOM 918 CG TYR A 55 -26.982 19.475 -8.321 1.00 74.31 C ATOM 919 CD1 TYR A 55 -28.046 18.659 -8.688 1.00 22.24 C ATOM 920 CD2 TYR A 55 -27.146 20.850 -8.427 1.00 4.34 C ATOM 921 CE1 TYR A 55 -29.234 19.196 -9.144 1.00 62.03 C ATOM 922 CE2 TYR A 55 -28.330 21.396 -8.881 1.00 15.32 C ATOM 923 CZ TYR A 55 -29.371 20.565 -9.239 1.00 15.14 C ATOM 924 OH TYR A 55 -30.553 21.105 -9.693 1.00 1.01 O ATOM 0 H TYR A 55 -23.320 18.126 -7.591 1.00 43.21 H new ATOM 0 HA TYR A 55 -25.608 17.079 -8.991 1.00 3.21 H new ATOM 0 HB2 TYR A 55 -25.879 18.315 -6.912 1.00 21.34 H new ATOM 0 HB3 TYR A 55 -25.004 19.691 -7.556 1.00 21.34 H new ATOM 0 HD1 TYR A 55 -27.942 17.586 -8.615 1.00 22.24 H new ATOM 0 HD2 TYR A 55 -26.333 21.504 -8.149 1.00 4.34 H new ATOM 0 HE1 TYR A 55 -30.051 18.548 -9.425 1.00 62.03 H new ATOM 0 HE2 TYR A 55 -28.440 22.468 -8.955 1.00 15.32 H new ATOM 0 HH TYR A 55 -30.485 22.083 -9.698 1.00 1.01 H new ATOM 934 N MET A 56 -23.900 19.611 -10.247 1.00 70.04 N ATOM 935 CA MET A 56 -23.661 20.372 -11.468 1.00 53.31 C ATOM 936 C MET A 56 -23.331 19.444 -12.632 1.00 62.42 C ATOM 937 O MET A 56 -23.719 19.699 -13.773 1.00 33.11 O ATOM 938 CB MET A 56 -22.521 21.371 -11.257 1.00 73.43 C ATOM 939 CG MET A 56 -22.436 22.434 -12.340 1.00 73.45 C ATOM 940 SD MET A 56 -22.995 24.051 -11.772 1.00 33.22 S ATOM 941 CE MET A 56 -21.626 25.083 -12.289 1.00 53.42 C ATOM 0 H MET A 56 -23.277 19.846 -9.474 1.00 70.04 H new ATOM 0 HA MET A 56 -24.573 20.918 -11.710 1.00 53.31 H new ATOM 0 HB2 MET A 56 -22.650 21.858 -10.291 1.00 73.43 H new ATOM 0 HB3 MET A 56 -21.576 20.829 -11.217 1.00 73.43 H new ATOM 0 HG2 MET A 56 -21.406 22.512 -12.687 1.00 73.45 H new ATOM 0 HG3 MET A 56 -23.038 22.125 -13.195 1.00 73.45 H new ATOM 0 HE1 MET A 56 -21.823 26.117 -12.007 1.00 53.42 H new ATOM 0 HE2 MET A 56 -20.711 24.743 -11.804 1.00 53.42 H new ATOM 0 HE3 MET A 56 -21.509 25.018 -13.371 1.00 53.42 H new ATOM 951 N LEU A 57 -22.612 18.366 -12.338 1.00 2.23 N ATOM 952 CA LEU A 57 -22.229 17.399 -13.360 1.00 44.05 C ATOM 953 C LEU A 57 -23.458 16.724 -13.959 1.00 73.51 C ATOM 954 O LEU A 57 -23.598 16.632 -15.179 1.00 4.42 O ATOM 955 CB LEU A 57 -21.291 16.345 -12.768 1.00 53.23 C ATOM 956 CG LEU A 57 -20.581 15.438 -13.773 1.00 43.14 C ATOM 957 CD1 LEU A 57 -19.401 16.161 -14.404 1.00 4.22 C ATOM 958 CD2 LEU A 57 -20.123 14.152 -13.101 1.00 10.23 C ATOM 0 H LEU A 57 -22.283 18.140 -11.400 1.00 2.23 H new ATOM 0 HA LEU A 57 -21.708 17.934 -14.154 1.00 44.05 H new ATOM 0 HB2 LEU A 57 -20.534 16.855 -12.171 1.00 53.23 H new ATOM 0 HB3 LEU A 57 -21.866 15.718 -12.086 1.00 53.23 H new ATOM 0 HG LEU A 57 -21.287 15.180 -14.562 1.00 43.14 H new ATOM 0 HD11 LEU A 57 -18.908 15.500 -15.117 1.00 4.22 H new ATOM 0 HD12 LEU A 57 -19.755 17.053 -14.921 1.00 4.22 H new ATOM 0 HD13 LEU A 57 -18.693 16.449 -13.627 1.00 4.22 H new ATOM 0 HD21 LEU A 57 -19.620 13.519 -13.832 1.00 10.23 H new ATOM 0 HD22 LEU A 57 -19.433 14.390 -12.291 1.00 10.23 H new ATOM 0 HD23 LEU A 57 -20.987 13.624 -12.698 1.00 10.23 H new ATOM 970 N VAL A 58 -24.349 16.253 -13.092 1.00 75.13 N ATOM 971 CA VAL A 58 -25.570 15.589 -13.535 1.00 24.31 C ATOM 972 C VAL A 58 -26.439 16.530 -14.361 1.00 63.24 C ATOM 973 O VAL A 58 -26.887 16.178 -15.452 1.00 14.00 O ATOM 974 CB VAL A 58 -26.390 15.067 -12.340 1.00 64.31 C ATOM 975 CG1 VAL A 58 -27.577 14.249 -12.824 1.00 54.00 C ATOM 976 CG2 VAL A 58 -25.510 14.246 -11.409 1.00 73.52 C ATOM 0 H VAL A 58 -24.248 16.319 -12.079 1.00 75.13 H new ATOM 0 HA VAL A 58 -25.265 14.745 -14.153 1.00 24.31 H new ATOM 0 HB VAL A 58 -26.772 15.922 -11.782 1.00 64.31 H new ATOM 0 HG11 VAL A 58 -28.145 13.889 -11.966 1.00 54.00 H new ATOM 0 HG12 VAL A 58 -28.218 14.872 -13.447 1.00 54.00 H new ATOM 0 HG13 VAL A 58 -27.220 13.399 -13.406 1.00 54.00 H new ATOM 0 HG21 VAL A 58 -26.105 13.885 -10.570 1.00 73.52 H new ATOM 0 HG22 VAL A 58 -25.097 13.397 -11.953 1.00 73.52 H new ATOM 0 HG23 VAL A 58 -24.696 14.868 -11.036 1.00 73.52 H new ATOM 986 N GLN A 59 -26.672 17.727 -13.834 1.00 45.52 N ATOM 987 CA GLN A 59 -27.488 18.720 -14.524 1.00 24.41 C ATOM 988 C GLN A 59 -26.845 19.130 -15.845 1.00 1.24 C ATOM 989 O GLN A 59 -27.537 19.399 -16.827 1.00 4.30 O ATOM 990 CB GLN A 59 -27.690 19.950 -13.637 1.00 71.34 C ATOM 991 CG GLN A 59 -29.053 20.603 -13.805 1.00 23.42 C ATOM 992 CD GLN A 59 -29.096 21.573 -14.969 1.00 21.13 C ATOM 993 OE1 GLN A 59 -29.584 21.242 -16.050 1.00 14.44 O ATOM 994 NE2 GLN A 59 -28.584 22.779 -14.754 1.00 2.04 N ATOM 0 H GLN A 59 -26.308 18.033 -12.932 1.00 45.52 H new ATOM 0 HA GLN A 59 -28.458 18.272 -14.737 1.00 24.41 H new ATOM 0 HB2 GLN A 59 -27.561 19.661 -12.594 1.00 71.34 H new ATOM 0 HB3 GLN A 59 -26.915 20.682 -13.863 1.00 71.34 H new ATOM 0 HG2 GLN A 59 -29.806 19.829 -13.954 1.00 23.42 H new ATOM 0 HG3 GLN A 59 -29.314 21.130 -12.888 1.00 23.42 H new ATOM 0 HE21 GLN A 59 -28.190 23.011 -13.842 1.00 2.04 H new ATOM 0 HE22 GLN A 59 -28.585 23.474 -15.501 1.00 2.04 H new ATOM 1003 N LYS A 60 -25.517 19.177 -15.861 1.00 71.24 N ATOM 1004 CA LYS A 60 -24.779 19.554 -17.061 1.00 74.33 C ATOM 1005 C LYS A 60 -24.909 18.482 -18.139 1.00 14.11 C ATOM 1006 O LYS A 60 -24.974 18.789 -19.329 1.00 54.54 O ATOM 1007 CB LYS A 60 -23.303 19.780 -16.727 1.00 71.23 C ATOM 1008 CG LYS A 60 -22.979 21.213 -16.344 1.00 1.25 C ATOM 1009 CD LYS A 60 -22.515 22.021 -17.544 1.00 73.43 C ATOM 1010 CE LYS A 60 -23.667 22.782 -18.182 1.00 40.40 C ATOM 1011 NZ LYS A 60 -23.703 22.599 -19.659 1.00 45.44 N ATOM 0 H LYS A 60 -24.930 18.959 -15.056 1.00 71.24 H new ATOM 0 HA LYS A 60 -25.205 20.482 -17.443 1.00 74.33 H new ATOM 0 HB2 LYS A 60 -23.020 19.121 -15.907 1.00 71.23 H new ATOM 0 HB3 LYS A 60 -22.697 19.497 -17.588 1.00 71.23 H new ATOM 0 HG2 LYS A 60 -23.861 21.682 -15.908 1.00 1.25 H new ATOM 0 HG3 LYS A 60 -22.203 21.219 -15.578 1.00 1.25 H new ATOM 0 HD2 LYS A 60 -21.741 22.723 -17.234 1.00 73.43 H new ATOM 0 HD3 LYS A 60 -22.065 21.355 -18.280 1.00 73.43 H new ATOM 0 HE2 LYS A 60 -24.609 22.443 -17.751 1.00 40.40 H new ATOM 0 HE3 LYS A 60 -23.574 23.843 -17.950 1.00 40.40 H new ATOM 0 HZ1 LYS A 60 -24.502 23.133 -20.056 1.00 45.44 H new ATOM 0 HZ2 LYS A 60 -22.815 22.946 -20.074 1.00 45.44 H new ATOM 0 HZ3 LYS A 60 -23.817 21.589 -19.881 1.00 45.44 H new ATOM 1025 N PHE A 61 -24.948 17.224 -17.714 1.00 32.41 N ATOM 1026 CA PHE A 61 -25.071 16.106 -18.643 1.00 52.40 C ATOM 1027 C PHE A 61 -26.501 15.985 -19.162 1.00 11.15 C ATOM 1028 O PHE A 61 -26.778 15.211 -20.077 1.00 44.42 O ATOM 1029 CB PHE A 61 -24.651 14.802 -17.963 1.00 62.43 C ATOM 1030 CG PHE A 61 -23.396 14.205 -18.535 1.00 14.01 C ATOM 1031 CD1 PHE A 61 -23.445 13.417 -19.673 1.00 62.33 C ATOM 1032 CD2 PHE A 61 -22.169 14.432 -17.933 1.00 50.25 C ATOM 1033 CE1 PHE A 61 -22.292 12.866 -20.202 1.00 53.52 C ATOM 1034 CE2 PHE A 61 -21.013 13.885 -18.458 1.00 33.00 C ATOM 1035 CZ PHE A 61 -21.075 13.100 -19.593 1.00 12.21 C ATOM 0 H PHE A 61 -24.896 16.953 -16.732 1.00 32.41 H new ATOM 0 HA PHE A 61 -24.411 16.295 -19.490 1.00 52.40 H new ATOM 0 HB2 PHE A 61 -24.504 14.987 -16.899 1.00 62.43 H new ATOM 0 HB3 PHE A 61 -25.461 14.078 -18.051 1.00 62.43 H new ATOM 0 HD1 PHE A 61 -24.394 13.231 -20.153 1.00 62.33 H new ATOM 0 HD2 PHE A 61 -22.115 15.043 -17.044 1.00 50.25 H new ATOM 0 HE1 PHE A 61 -22.343 12.254 -21.090 1.00 53.52 H new ATOM 0 HE2 PHE A 61 -20.062 14.071 -17.981 1.00 33.00 H new ATOM 0 HZ PHE A 61 -20.173 12.670 -20.003 1.00 12.21 H new ATOM 1045 N GLY A 62 -27.407 16.756 -18.568 1.00 12.14 N ATOM 1046 CA GLY A 62 -28.798 16.720 -18.982 1.00 3.15 C ATOM 1047 C GLY A 62 -29.661 15.899 -18.044 1.00 4.00 C ATOM 1048 O GLY A 62 -30.679 15.343 -18.453 1.00 52.50 O ATOM 0 H GLY A 62 -27.203 17.405 -17.808 1.00 12.14 H new ATOM 0 HA2 GLY A 62 -29.186 17.737 -19.031 1.00 3.15 H new ATOM 0 HA3 GLY A 62 -28.864 16.305 -19.988 1.00 3.15 H new ATOM 1052 N GLY A 63 -29.251 15.820 -16.781 1.00 52.43 N ATOM 1053 CA GLY A 63 -30.005 15.058 -15.803 1.00 64.54 C ATOM 1054 C GLY A 63 -29.597 13.598 -15.768 1.00 31.12 C ATOM 1055 O GLY A 63 -29.135 13.051 -16.769 1.00 10.13 O ATOM 0 H GLY A 63 -28.411 16.270 -16.418 1.00 52.43 H new ATOM 0 HA2 GLY A 63 -29.861 15.496 -14.815 1.00 64.54 H new ATOM 0 HA3 GLY A 63 -31.068 15.130 -16.032 1.00 64.54 H new ATOM 1059 N ALA A 64 -29.767 12.966 -14.611 1.00 71.32 N ATOM 1060 CA ALA A 64 -29.414 11.561 -14.449 1.00 70.25 C ATOM 1061 C ALA A 64 -30.077 10.701 -15.520 1.00 51.34 C ATOM 1062 O ALA A 64 -29.522 9.690 -15.950 1.00 21.12 O ATOM 1063 CB ALA A 64 -29.806 11.074 -13.062 1.00 40.51 C ATOM 0 H ALA A 64 -30.147 13.405 -13.772 1.00 71.32 H new ATOM 0 HA ALA A 64 -28.334 11.469 -14.563 1.00 70.25 H new ATOM 0 HB1 ALA A 64 -29.536 10.023 -12.956 1.00 40.51 H new ATOM 0 HB2 ALA A 64 -29.281 11.661 -12.308 1.00 40.51 H new ATOM 0 HB3 ALA A 64 -30.882 11.188 -12.927 1.00 40.51 H new ATOM 1069 N ASP A 65 -31.267 11.110 -15.947 1.00 31.52 N ATOM 1070 CA ASP A 65 -32.006 10.377 -16.968 1.00 71.43 C ATOM 1071 C ASP A 65 -31.260 10.398 -18.299 1.00 15.20 C ATOM 1072 O ASP A 65 -31.258 9.412 -19.035 1.00 53.34 O ATOM 1073 CB ASP A 65 -33.404 10.972 -17.143 1.00 1.21 C ATOM 1074 CG ASP A 65 -34.262 10.807 -15.904 1.00 54.43 C ATOM 1075 OD1 ASP A 65 -33.773 11.118 -14.798 1.00 53.23 O ATOM 1076 OD2 ASP A 65 -35.423 10.367 -16.041 1.00 32.22 O ATOM 0 H ASP A 65 -31.740 11.945 -15.602 1.00 31.52 H new ATOM 0 HA ASP A 65 -32.099 9.342 -16.641 1.00 71.43 H new ATOM 0 HB2 ASP A 65 -33.317 12.032 -17.383 1.00 1.21 H new ATOM 0 HB3 ASP A 65 -33.897 10.493 -17.989 1.00 1.21 H new ATOM 1081 N GLN A 66 -30.630 11.529 -18.600 1.00 31.01 N ATOM 1082 CA GLN A 66 -29.883 11.679 -19.843 1.00 22.20 C ATOM 1083 C GLN A 66 -28.638 10.798 -19.839 1.00 61.33 C ATOM 1084 O GLN A 66 -28.272 10.218 -20.862 1.00 2.12 O ATOM 1085 CB GLN A 66 -29.486 13.141 -20.051 1.00 52.42 C ATOM 1086 CG GLN A 66 -28.642 13.372 -21.294 1.00 60.22 C ATOM 1087 CD GLN A 66 -28.879 14.734 -21.917 1.00 34.52 C ATOM 1088 OE1 GLN A 66 -29.952 15.320 -21.765 1.00 64.22 O ATOM 1089 NE2 GLN A 66 -27.878 15.245 -22.622 1.00 65.04 N ATOM 0 H GLN A 66 -30.622 12.354 -18.001 1.00 31.01 H new ATOM 0 HA GLN A 66 -30.527 11.364 -20.664 1.00 22.20 H new ATOM 0 HB2 GLN A 66 -30.389 13.748 -20.117 1.00 52.42 H new ATOM 0 HB3 GLN A 66 -28.933 13.486 -19.177 1.00 52.42 H new ATOM 0 HG2 GLN A 66 -27.588 13.274 -21.036 1.00 60.22 H new ATOM 0 HG3 GLN A 66 -28.864 12.598 -22.028 1.00 60.22 H new ATOM 0 HE21 GLN A 66 -27.007 14.724 -22.722 1.00 65.04 H new ATOM 0 HE22 GLN A 66 -27.980 16.158 -23.064 1.00 65.04 H new ATOM 1098 N VAL A 67 -27.990 10.702 -18.682 1.00 73.53 N ATOM 1099 CA VAL A 67 -26.787 9.890 -18.545 1.00 45.51 C ATOM 1100 C VAL A 67 -27.104 8.407 -18.694 1.00 23.33 C ATOM 1101 O VAL A 67 -26.337 7.653 -19.294 1.00 24.12 O ATOM 1102 CB VAL A 67 -26.104 10.125 -17.184 1.00 71.43 C ATOM 1103 CG1 VAL A 67 -24.750 9.433 -17.140 1.00 31.13 C ATOM 1104 CG2 VAL A 67 -25.960 11.614 -16.910 1.00 54.01 C ATOM 0 H VAL A 67 -28.278 11.177 -17.826 1.00 73.53 H new ATOM 0 HA VAL A 67 -26.108 10.194 -19.341 1.00 45.51 H new ATOM 0 HB VAL A 67 -26.731 9.695 -16.403 1.00 71.43 H new ATOM 0 HG11 VAL A 67 -24.282 9.610 -16.171 1.00 31.13 H new ATOM 0 HG12 VAL A 67 -24.884 8.361 -17.288 1.00 31.13 H new ATOM 0 HG13 VAL A 67 -24.112 9.831 -17.929 1.00 31.13 H new ATOM 0 HG21 VAL A 67 -25.476 11.761 -15.945 1.00 54.01 H new ATOM 0 HG22 VAL A 67 -25.355 12.071 -17.693 1.00 54.01 H new ATOM 0 HG23 VAL A 67 -26.946 12.078 -16.896 1.00 54.01 H new ATOM 1114 N THR A 68 -28.241 7.992 -18.143 1.00 44.12 N ATOM 1115 CA THR A 68 -28.660 6.598 -18.213 1.00 40.15 C ATOM 1116 C THR A 68 -29.324 6.290 -19.551 1.00 1.43 C ATOM 1117 O THR A 68 -29.319 5.148 -20.009 1.00 22.44 O ATOM 1118 CB THR A 68 -29.637 6.247 -17.075 1.00 41.34 C ATOM 1119 OG1 THR A 68 -29.976 4.857 -17.132 1.00 52.31 O ATOM 1120 CG2 THR A 68 -30.902 7.087 -17.170 1.00 5.55 C ATOM 0 H THR A 68 -28.888 8.602 -17.643 1.00 44.12 H new ATOM 0 HA THR A 68 -27.760 5.992 -18.109 1.00 40.15 H new ATOM 0 HB THR A 68 -29.147 6.462 -16.125 1.00 41.34 H new ATOM 0 HG1 THR A 68 -30.596 4.641 -16.404 1.00 52.31 H new ATOM 0 HG21 THR A 68 -31.577 6.822 -16.356 1.00 5.55 H new ATOM 0 HG22 THR A 68 -30.644 8.143 -17.097 1.00 5.55 H new ATOM 0 HG23 THR A 68 -31.393 6.899 -18.125 1.00 5.55 H new ATOM 1128 N ARG A 69 -29.894 7.317 -20.173 1.00 32.10 N ATOM 1129 CA ARG A 69 -30.563 7.155 -21.458 1.00 50.33 C ATOM 1130 C ARG A 69 -29.628 6.516 -22.481 1.00 32.10 C ATOM 1131 O ARG A 69 -30.024 5.617 -23.224 1.00 23.55 O ATOM 1132 CB ARG A 69 -31.053 8.509 -21.976 1.00 33.21 C ATOM 1133 CG ARG A 69 -31.427 8.498 -23.449 1.00 52.41 C ATOM 1134 CD ARG A 69 -32.489 7.451 -23.747 1.00 0.20 C ATOM 1135 NE ARG A 69 -33.754 7.750 -23.082 1.00 13.22 N ATOM 1136 CZ ARG A 69 -34.892 7.120 -23.350 1.00 34.20 C ATOM 1137 NH1 ARG A 69 -34.923 6.160 -24.265 1.00 11.35 N ATOM 1138 NH2 ARG A 69 -36.003 7.448 -22.702 1.00 41.52 N ATOM 0 H ARG A 69 -29.906 8.269 -19.808 1.00 32.10 H new ATOM 0 HA ARG A 69 -31.420 6.497 -21.313 1.00 50.33 H new ATOM 0 HB2 ARG A 69 -31.919 8.820 -21.392 1.00 33.21 H new ATOM 0 HB3 ARG A 69 -30.274 9.254 -21.813 1.00 33.21 H new ATOM 0 HG2 ARG A 69 -31.794 9.482 -23.740 1.00 52.41 H new ATOM 0 HG3 ARG A 69 -30.539 8.298 -24.049 1.00 52.41 H new ATOM 0 HD2 ARG A 69 -32.650 7.394 -24.824 1.00 0.20 H new ATOM 0 HD3 ARG A 69 -32.133 6.472 -23.426 1.00 0.20 H new ATOM 0 HE ARG A 69 -33.764 8.483 -22.373 1.00 13.22 H new ATOM 0 HH11 ARG A 69 -34.071 5.904 -24.765 1.00 11.35 H new ATOM 0 HH12 ARG A 69 -35.798 5.678 -24.469 1.00 11.35 H new ATOM 0 HH21 ARG A 69 -35.984 8.185 -21.997 1.00 41.52 H new ATOM 0 HH22 ARG A 69 -36.876 6.963 -22.909 1.00 41.52 H new ATOM 1152 N THR A 70 -28.385 6.987 -22.515 1.00 33.43 N ATOM 1153 CA THR A 70 -27.395 6.463 -23.447 1.00 23.14 C ATOM 1154 C THR A 70 -26.459 5.476 -22.757 1.00 52.24 C ATOM 1155 O THR A 70 -25.521 4.967 -23.369 1.00 64.01 O ATOM 1156 CB THR A 70 -26.558 7.595 -24.072 1.00 70.10 C ATOM 1157 OG1 THR A 70 -25.501 7.042 -24.865 1.00 14.50 O ATOM 1158 CG2 THR A 70 -25.973 8.494 -22.994 1.00 3.32 C ATOM 0 H THR A 70 -28.040 7.730 -21.908 1.00 33.43 H new ATOM 0 HA THR A 70 -27.944 5.949 -24.236 1.00 23.14 H new ATOM 0 HB THR A 70 -27.212 8.194 -24.706 1.00 70.10 H new ATOM 0 HG1 THR A 70 -25.509 6.065 -24.785 1.00 14.50 H new ATOM 0 HG21 THR A 70 -25.386 9.286 -23.460 1.00 3.32 H new ATOM 0 HG22 THR A 70 -26.781 8.936 -22.411 1.00 3.32 H new ATOM 0 HG23 THR A 70 -25.332 7.905 -22.338 1.00 3.32 H new ATOM 1166 N GLN A 71 -26.722 5.211 -21.482 1.00 32.41 N ATOM 1167 CA GLN A 71 -25.902 4.284 -20.710 1.00 74.14 C ATOM 1168 C GLN A 71 -24.464 4.780 -20.614 1.00 45.32 C ATOM 1169 O GLN A 71 -23.521 4.034 -20.878 1.00 73.01 O ATOM 1170 CB GLN A 71 -25.933 2.893 -21.345 1.00 70.43 C ATOM 1171 CG GLN A 71 -25.742 1.763 -20.346 1.00 12.34 C ATOM 1172 CD GLN A 71 -24.526 0.912 -20.652 1.00 73.44 C ATOM 1173 OE1 GLN A 71 -24.257 0.587 -21.809 1.00 51.24 O ATOM 1174 NE2 GLN A 71 -23.783 0.544 -19.615 1.00 14.21 N ATOM 0 H GLN A 71 -27.496 5.624 -20.961 1.00 32.41 H new ATOM 0 HA GLN A 71 -26.315 4.225 -19.703 1.00 74.14 H new ATOM 0 HB2 GLN A 71 -26.886 2.757 -21.856 1.00 70.43 H new ATOM 0 HB3 GLN A 71 -25.153 2.832 -22.104 1.00 70.43 H new ATOM 0 HG2 GLN A 71 -25.645 2.182 -19.344 1.00 12.34 H new ATOM 0 HG3 GLN A 71 -26.631 1.132 -20.343 1.00 12.34 H new ATOM 0 HE21 GLN A 71 -24.042 0.836 -18.673 1.00 14.21 H new ATOM 0 HE22 GLN A 71 -22.953 -0.030 -19.761 1.00 14.21 H new ATOM 1183 N GLN A 72 -24.303 6.044 -20.235 1.00 41.13 N ATOM 1184 CA GLN A 72 -22.978 6.640 -20.106 1.00 33.33 C ATOM 1185 C GLN A 72 -22.613 6.841 -18.639 1.00 11.13 C ATOM 1186 O GLN A 72 -21.525 7.322 -18.320 1.00 74.33 O ATOM 1187 CB GLN A 72 -22.923 7.977 -20.846 1.00 2.44 C ATOM 1188 CG GLN A 72 -21.514 8.523 -21.011 1.00 3.33 C ATOM 1189 CD GLN A 72 -21.206 8.923 -22.440 1.00 74.35 C ATOM 1190 OE1 GLN A 72 -21.160 10.108 -22.770 1.00 1.32 O ATOM 1191 NE2 GLN A 72 -20.994 7.933 -23.299 1.00 73.54 N ATOM 0 H GLN A 72 -25.073 6.675 -20.012 1.00 41.13 H new ATOM 0 HA GLN A 72 -22.254 5.957 -20.551 1.00 33.33 H new ATOM 0 HB2 GLN A 72 -23.375 7.857 -21.831 1.00 2.44 H new ATOM 0 HB3 GLN A 72 -23.526 8.707 -20.306 1.00 2.44 H new ATOM 0 HG2 GLN A 72 -21.385 9.388 -20.360 1.00 3.33 H new ATOM 0 HG3 GLN A 72 -20.796 7.770 -20.686 1.00 3.33 H new ATOM 0 HE21 GLN A 72 -21.042 6.964 -22.983 1.00 73.54 H new ATOM 0 HE22 GLN A 72 -20.783 8.141 -24.275 1.00 73.54 H new ATOM 1200 N TRP A 73 -23.528 6.471 -17.750 1.00 54.15 N ATOM 1201 CA TRP A 73 -23.302 6.612 -16.316 1.00 73.24 C ATOM 1202 C TRP A 73 -22.056 5.848 -15.884 1.00 65.24 C ATOM 1203 O TRP A 73 -21.344 6.268 -14.972 1.00 31.21 O ATOM 1204 CB TRP A 73 -24.519 6.111 -15.536 1.00 25.20 C ATOM 1205 CG TRP A 73 -24.301 6.079 -14.053 1.00 61.44 C ATOM 1206 CD1 TRP A 73 -24.538 5.028 -13.213 1.00 4.40 C ATOM 1207 CD2 TRP A 73 -23.805 7.145 -13.237 1.00 20.23 C ATOM 1208 NE1 TRP A 73 -24.219 5.378 -11.923 1.00 24.32 N ATOM 1209 CE2 TRP A 73 -23.766 6.671 -11.911 1.00 30.51 C ATOM 1210 CE3 TRP A 73 -23.388 8.453 -13.496 1.00 50.05 C ATOM 1211 CZ2 TRP A 73 -23.328 7.460 -10.851 1.00 31.11 C ATOM 1212 CZ3 TRP A 73 -22.954 9.235 -12.443 1.00 40.33 C ATOM 1213 CH2 TRP A 73 -22.926 8.737 -11.134 1.00 21.10 C ATOM 0 H TRP A 73 -24.433 6.071 -17.997 1.00 54.15 H new ATOM 0 HA TRP A 73 -23.150 7.669 -16.099 1.00 73.24 H new ATOM 0 HB2 TRP A 73 -25.372 6.752 -15.757 1.00 25.20 H new ATOM 0 HB3 TRP A 73 -24.775 5.109 -15.880 1.00 25.20 H new ATOM 0 HD1 TRP A 73 -24.920 4.065 -13.518 1.00 4.40 H new ATOM 0 HE1 TRP A 73 -24.305 4.773 -11.106 1.00 24.32 H new ATOM 0 HE3 TRP A 73 -23.405 8.846 -14.502 1.00 50.05 H new ATOM 0 HZ2 TRP A 73 -23.306 7.078 -9.841 1.00 31.11 H new ATOM 0 HZ3 TRP A 73 -22.631 10.248 -12.632 1.00 40.33 H new ATOM 0 HH2 TRP A 73 -22.580 9.373 -10.333 1.00 21.10 H new ATOM 1224 N SER A 74 -21.796 4.724 -16.546 1.00 13.34 N ATOM 1225 CA SER A 74 -20.637 3.900 -16.227 1.00 25.12 C ATOM 1226 C SER A 74 -19.340 4.643 -16.536 1.00 34.11 C ATOM 1227 O SER A 74 -18.360 4.535 -15.800 1.00 41.20 O ATOM 1228 CB SER A 74 -20.685 2.588 -17.012 1.00 74.12 C ATOM 1229 OG SER A 74 -20.140 2.750 -18.310 1.00 71.01 O ATOM 0 H SER A 74 -22.373 4.364 -17.306 1.00 13.34 H new ATOM 0 HA SER A 74 -20.663 3.678 -15.160 1.00 25.12 H new ATOM 0 HB2 SER A 74 -20.130 1.819 -16.475 1.00 74.12 H new ATOM 0 HB3 SER A 74 -21.716 2.243 -17.088 1.00 74.12 H new ATOM 0 HG SER A 74 -20.181 1.897 -18.791 1.00 71.01 H new ATOM 1235 N MET A 75 -19.345 5.397 -17.630 1.00 64.13 N ATOM 1236 CA MET A 75 -18.170 6.159 -18.037 1.00 41.32 C ATOM 1237 C MET A 75 -17.953 7.356 -17.117 1.00 2.04 C ATOM 1238 O MET A 75 -16.840 7.598 -16.648 1.00 72.04 O ATOM 1239 CB MET A 75 -18.320 6.634 -19.484 1.00 4.33 C ATOM 1240 CG MET A 75 -17.315 6.007 -20.436 1.00 42.24 C ATOM 1241 SD MET A 75 -17.709 4.293 -20.832 1.00 73.12 S ATOM 1242 CE MET A 75 -16.073 3.630 -21.134 1.00 70.11 C ATOM 0 H MET A 75 -20.149 5.497 -18.250 1.00 64.13 H new ATOM 0 HA MET A 75 -17.301 5.505 -17.965 1.00 41.32 H new ATOM 0 HB2 MET A 75 -19.328 6.405 -19.830 1.00 4.33 H new ATOM 0 HB3 MET A 75 -18.211 7.718 -19.515 1.00 4.33 H new ATOM 0 HG2 MET A 75 -17.280 6.590 -21.357 1.00 42.24 H new ATOM 0 HG3 MET A 75 -16.321 6.054 -19.991 1.00 42.24 H new ATOM 0 HE1 MET A 75 -16.150 2.574 -21.392 1.00 70.11 H new ATOM 0 HE2 MET A 75 -15.607 4.171 -21.958 1.00 70.11 H new ATOM 0 HE3 MET A 75 -15.464 3.741 -20.237 1.00 70.11 H new ATOM 1252 N VAL A 76 -19.023 8.102 -16.861 1.00 2.30 N ATOM 1253 CA VAL A 76 -18.949 9.273 -15.996 1.00 11.43 C ATOM 1254 C VAL A 76 -18.621 8.877 -14.561 1.00 24.22 C ATOM 1255 O VAL A 76 -17.737 9.459 -13.932 1.00 34.21 O ATOM 1256 CB VAL A 76 -20.271 10.065 -16.008 1.00 65.43 C ATOM 1257 CG1 VAL A 76 -20.161 11.301 -15.129 1.00 33.22 C ATOM 1258 CG2 VAL A 76 -20.650 10.445 -17.432 1.00 20.45 C ATOM 0 H VAL A 76 -19.951 7.916 -17.240 1.00 2.30 H new ATOM 0 HA VAL A 76 -18.151 9.905 -16.387 1.00 11.43 H new ATOM 0 HB VAL A 76 -21.059 9.430 -15.603 1.00 65.43 H new ATOM 0 HG11 VAL A 76 -21.104 11.847 -15.150 1.00 33.22 H new ATOM 0 HG12 VAL A 76 -19.938 11.001 -14.105 1.00 33.22 H new ATOM 0 HG13 VAL A 76 -19.362 11.942 -15.501 1.00 33.22 H new ATOM 0 HG21 VAL A 76 -21.586 11.004 -17.423 1.00 20.45 H new ATOM 0 HG22 VAL A 76 -19.863 11.062 -17.866 1.00 20.45 H new ATOM 0 HG23 VAL A 76 -20.773 9.541 -18.029 1.00 20.45 H new ATOM 1268 N ALA A 77 -19.337 7.882 -14.049 1.00 34.40 N ATOM 1269 CA ALA A 77 -19.120 7.405 -12.689 1.00 35.23 C ATOM 1270 C ALA A 77 -17.665 7.005 -12.473 1.00 21.32 C ATOM 1271 O ALA A 77 -17.101 7.234 -11.403 1.00 55.31 O ATOM 1272 CB ALA A 77 -20.042 6.233 -12.387 1.00 74.40 C ATOM 0 H ALA A 77 -20.073 7.390 -14.556 1.00 34.40 H new ATOM 0 HA ALA A 77 -19.351 8.220 -12.004 1.00 35.23 H new ATOM 0 HB1 ALA A 77 -19.869 5.887 -11.368 1.00 74.40 H new ATOM 0 HB2 ALA A 77 -21.080 6.550 -12.491 1.00 74.40 H new ATOM 0 HB3 ALA A 77 -19.839 5.421 -13.085 1.00 74.40 H new ATOM 1278 N GLN A 78 -17.063 6.405 -13.495 1.00 0.21 N ATOM 1279 CA GLN A 78 -15.673 5.972 -13.415 1.00 0.11 C ATOM 1280 C GLN A 78 -14.740 7.166 -13.240 1.00 71.13 C ATOM 1281 O GLN A 78 -13.700 7.063 -12.589 1.00 52.44 O ATOM 1282 CB GLN A 78 -15.288 5.188 -14.671 1.00 1.23 C ATOM 1283 CG GLN A 78 -13.836 4.740 -14.686 1.00 65.44 C ATOM 1284 CD GLN A 78 -13.101 5.185 -15.935 1.00 44.22 C ATOM 1285 OE1 GLN A 78 -12.098 5.896 -15.859 1.00 53.42 O ATOM 1286 NE2 GLN A 78 -13.596 4.768 -17.095 1.00 1.25 N ATOM 0 H GLN A 78 -17.516 6.208 -14.387 1.00 0.21 H new ATOM 0 HA GLN A 78 -15.570 5.324 -12.545 1.00 0.11 H new ATOM 0 HB2 GLN A 78 -15.931 4.312 -14.754 1.00 1.23 H new ATOM 0 HB3 GLN A 78 -15.478 5.807 -15.548 1.00 1.23 H new ATOM 0 HG2 GLN A 78 -13.328 5.139 -13.808 1.00 65.44 H new ATOM 0 HG3 GLN A 78 -13.794 3.653 -14.612 1.00 65.44 H new ATOM 0 HE21 GLN A 78 -14.429 4.180 -17.112 1.00 1.25 H new ATOM 0 HE22 GLN A 78 -13.143 5.036 -17.969 1.00 1.25 H new ATOM 1295 N ARG A 79 -15.119 8.297 -13.826 1.00 43.12 N ATOM 1296 CA ARG A 79 -14.315 9.510 -13.737 1.00 0.24 C ATOM 1297 C ARG A 79 -14.106 9.918 -12.281 1.00 60.40 C ATOM 1298 O ARG A 79 -13.002 10.292 -11.882 1.00 73.31 O ATOM 1299 CB ARG A 79 -14.986 10.650 -14.505 1.00 51.11 C ATOM 1300 CG ARG A 79 -14.078 11.313 -15.528 1.00 23.32 C ATOM 1301 CD ARG A 79 -14.335 10.780 -16.929 1.00 3.51 C ATOM 1302 NE ARG A 79 -13.410 9.708 -17.285 1.00 63.12 N ATOM 1303 CZ ARG A 79 -13.589 8.897 -18.322 1.00 32.23 C ATOM 1304 NH1 ARG A 79 -14.653 9.036 -19.100 1.00 54.02 N ATOM 1305 NH2 ARG A 79 -12.703 7.944 -18.582 1.00 2.24 N ATOM 0 H ARG A 79 -15.978 8.399 -14.367 1.00 43.12 H new ATOM 0 HA ARG A 79 -13.342 9.304 -14.183 1.00 0.24 H new ATOM 0 HB2 ARG A 79 -15.870 10.264 -15.013 1.00 51.11 H new ATOM 0 HB3 ARG A 79 -15.329 11.402 -13.795 1.00 51.11 H new ATOM 0 HG2 ARG A 79 -14.237 12.391 -15.513 1.00 23.32 H new ATOM 0 HG3 ARG A 79 -13.036 11.141 -15.257 1.00 23.32 H new ATOM 0 HD2 ARG A 79 -15.359 10.412 -16.995 1.00 3.51 H new ATOM 0 HD3 ARG A 79 -14.242 11.593 -17.649 1.00 3.51 H new ATOM 0 HE ARG A 79 -12.581 9.574 -16.706 1.00 63.12 H new ATOM 0 HH11 ARG A 79 -15.337 9.767 -18.903 1.00 54.02 H new ATOM 0 HH12 ARG A 79 -14.788 8.412 -19.896 1.00 54.02 H new ATOM 0 HH21 ARG A 79 -11.883 7.833 -17.985 1.00 2.24 H new ATOM 0 HH22 ARG A 79 -12.842 7.322 -19.378 1.00 2.24 H new ATOM 1319 N LEU A 80 -15.172 9.843 -11.492 1.00 54.14 N ATOM 1320 CA LEU A 80 -15.107 10.204 -10.081 1.00 3.54 C ATOM 1321 C LEU A 80 -14.924 8.966 -9.209 1.00 71.24 C ATOM 1322 O LEU A 80 -14.769 9.069 -7.993 1.00 1.11 O ATOM 1323 CB LEU A 80 -16.375 10.951 -9.665 1.00 54.45 C ATOM 1324 CG LEU A 80 -17.693 10.379 -10.190 1.00 0.34 C ATOM 1325 CD1 LEU A 80 -18.808 10.594 -9.178 1.00 71.10 C ATOM 1326 CD2 LEU A 80 -18.054 11.011 -11.526 1.00 73.53 C ATOM 0 H LEU A 80 -16.092 9.535 -11.806 1.00 54.14 H new ATOM 0 HA LEU A 80 -14.245 10.856 -9.939 1.00 3.54 H new ATOM 0 HB2 LEU A 80 -16.419 10.973 -8.576 1.00 54.45 H new ATOM 0 HB3 LEU A 80 -16.291 11.984 -10.001 1.00 54.45 H new ATOM 0 HG LEU A 80 -17.568 9.307 -10.340 1.00 0.34 H new ATOM 0 HD11 LEU A 80 -19.738 10.181 -9.568 1.00 71.10 H new ATOM 0 HD12 LEU A 80 -18.553 10.094 -8.244 1.00 71.10 H new ATOM 0 HD13 LEU A 80 -18.933 11.661 -8.996 1.00 71.10 H new ATOM 0 HD21 LEU A 80 -18.994 10.592 -11.884 1.00 73.53 H new ATOM 0 HD22 LEU A 80 -18.161 12.089 -11.402 1.00 73.53 H new ATOM 0 HD23 LEU A 80 -17.266 10.806 -12.250 1.00 73.53 H new ATOM 1338 N GLN A 81 -14.942 7.797 -9.841 1.00 63.40 N ATOM 1339 CA GLN A 81 -14.776 6.538 -9.123 1.00 15.41 C ATOM 1340 C GLN A 81 -15.923 6.317 -8.142 1.00 74.54 C ATOM 1341 O GLN A 81 -15.701 5.998 -6.974 1.00 62.20 O ATOM 1342 CB GLN A 81 -13.442 6.525 -8.376 1.00 65.52 C ATOM 1343 CG GLN A 81 -13.064 5.157 -7.830 1.00 60.12 C ATOM 1344 CD GLN A 81 -12.054 4.438 -8.703 1.00 52.42 C ATOM 1345 OE1 GLN A 81 -11.082 3.868 -8.207 1.00 50.13 O ATOM 1346 NE2 GLN A 81 -12.279 4.462 -10.012 1.00 34.04 N ATOM 0 H GLN A 81 -15.070 7.695 -10.848 1.00 63.40 H new ATOM 0 HA GLN A 81 -14.784 5.728 -9.853 1.00 15.41 H new ATOM 0 HB2 GLN A 81 -12.655 6.869 -9.048 1.00 65.52 H new ATOM 0 HB3 GLN A 81 -13.490 7.236 -7.551 1.00 65.52 H new ATOM 0 HG2 GLN A 81 -12.655 5.271 -6.826 1.00 60.12 H new ATOM 0 HG3 GLN A 81 -13.962 4.545 -7.740 1.00 60.12 H new ATOM 0 HE21 GLN A 81 -13.098 4.947 -10.380 1.00 34.04 H new ATOM 0 HE22 GLN A 81 -11.633 3.996 -10.649 1.00 34.04 H new ATOM 1355 N ILE A 82 -17.149 6.487 -8.625 1.00 54.53 N ATOM 1356 CA ILE A 82 -18.331 6.305 -7.791 1.00 43.11 C ATOM 1357 C ILE A 82 -19.001 4.964 -8.072 1.00 44.44 C ATOM 1358 O ILE A 82 -19.632 4.378 -7.194 1.00 33.04 O ATOM 1359 CB ILE A 82 -19.355 7.434 -8.011 1.00 2.11 C ATOM 1360 CG1 ILE A 82 -20.526 7.286 -7.038 1.00 12.44 C ATOM 1361 CG2 ILE A 82 -19.850 7.427 -9.449 1.00 52.24 C ATOM 1362 CD1 ILE A 82 -21.451 8.483 -7.019 1.00 1.30 C ATOM 0 H ILE A 82 -17.350 6.751 -9.590 1.00 54.53 H new ATOM 0 HA ILE A 82 -17.993 6.330 -6.755 1.00 43.11 H new ATOM 0 HB ILE A 82 -18.867 8.390 -7.820 1.00 2.11 H new ATOM 0 HG12 ILE A 82 -21.099 6.398 -7.305 1.00 12.44 H new ATOM 0 HG13 ILE A 82 -20.135 7.123 -6.034 1.00 12.44 H new ATOM 0 HG21 ILE A 82 -20.573 8.231 -9.589 1.00 52.24 H new ATOM 0 HG22 ILE A 82 -19.008 7.575 -10.125 1.00 52.24 H new ATOM 0 HG23 ILE A 82 -20.325 6.470 -9.666 1.00 52.24 H new ATOM 0 HD11 ILE A 82 -22.258 8.308 -6.307 1.00 1.30 H new ATOM 0 HD12 ILE A 82 -20.892 9.370 -6.723 1.00 1.30 H new ATOM 0 HD13 ILE A 82 -21.871 8.634 -8.013 1.00 1.30 H new ATOM 1374 N SER A 83 -18.857 4.484 -9.303 1.00 64.23 N ATOM 1375 CA SER A 83 -19.449 3.213 -9.702 1.00 35.42 C ATOM 1376 C SER A 83 -18.477 2.403 -10.555 1.00 11.34 C ATOM 1377 O SER A 83 -18.689 2.222 -11.754 1.00 22.43 O ATOM 1378 CB SER A 83 -20.747 3.451 -10.476 1.00 15.24 C ATOM 1379 OG SER A 83 -21.546 4.435 -9.841 1.00 43.53 O ATOM 0 H SER A 83 -18.335 4.956 -10.041 1.00 64.23 H new ATOM 0 HA SER A 83 -19.671 2.646 -8.798 1.00 35.42 H new ATOM 0 HB2 SER A 83 -20.515 3.767 -11.493 1.00 15.24 H new ATOM 0 HB3 SER A 83 -21.305 2.518 -10.552 1.00 15.24 H new ATOM 0 HG SER A 83 -22.369 4.570 -10.356 1.00 43.53 H new ATOM 1385 N ASP A 84 -17.411 1.920 -9.927 1.00 22.11 N ATOM 1386 CA ASP A 84 -16.405 1.129 -10.627 1.00 31.15 C ATOM 1387 C ASP A 84 -16.623 -0.362 -10.387 1.00 11.10 C ATOM 1388 O ASP A 84 -15.753 -1.049 -9.851 1.00 0.51 O ATOM 1389 CB ASP A 84 -15.001 1.531 -10.171 1.00 55.33 C ATOM 1390 CG ASP A 84 -14.383 2.587 -11.066 1.00 40.14 C ATOM 1391 OD1 ASP A 84 -14.871 3.736 -11.052 1.00 51.24 O ATOM 1392 OD2 ASP A 84 -13.411 2.264 -11.782 1.00 33.14 O ATOM 0 H ASP A 84 -17.221 2.062 -8.935 1.00 22.11 H new ATOM 0 HA ASP A 84 -16.502 1.326 -11.695 1.00 31.15 H new ATOM 0 HB2 ASP A 84 -15.048 1.907 -9.149 1.00 55.33 H new ATOM 0 HB3 ASP A 84 -14.360 0.650 -10.158 1.00 55.33 H new ATOM 1397 N TYR A 85 -17.790 -0.855 -10.787 1.00 23.54 N ATOM 1398 CA TYR A 85 -18.124 -2.264 -10.612 1.00 63.13 C ATOM 1399 C TYR A 85 -18.405 -2.580 -9.146 1.00 54.25 C ATOM 1400 O TYR A 85 -18.958 -1.756 -8.419 1.00 0.44 O ATOM 1401 CB TYR A 85 -16.985 -3.147 -11.126 1.00 72.10 C ATOM 1402 CG TYR A 85 -17.458 -4.426 -11.780 1.00 15.24 C ATOM 1403 CD1 TYR A 85 -18.448 -4.406 -12.755 1.00 30.24 C ATOM 1404 CD2 TYR A 85 -16.915 -5.654 -11.422 1.00 40.25 C ATOM 1405 CE1 TYR A 85 -18.884 -5.572 -13.354 1.00 22.24 C ATOM 1406 CE2 TYR A 85 -17.344 -6.825 -12.017 1.00 44.33 C ATOM 1407 CZ TYR A 85 -18.328 -6.779 -12.982 1.00 15.22 C ATOM 1408 OH TYR A 85 -18.759 -7.942 -13.577 1.00 61.32 O ATOM 0 H TYR A 85 -18.520 -0.301 -11.234 1.00 23.54 H new ATOM 0 HA TYR A 85 -19.025 -2.472 -11.189 1.00 63.13 H new ATOM 0 HB2 TYR A 85 -16.392 -2.580 -11.843 1.00 72.10 H new ATOM 0 HB3 TYR A 85 -16.326 -3.396 -10.294 1.00 72.10 H new ATOM 0 HD1 TYR A 85 -18.884 -3.463 -13.049 1.00 30.24 H new ATOM 0 HD2 TYR A 85 -16.145 -5.694 -10.666 1.00 40.25 H new ATOM 0 HE1 TYR A 85 -19.656 -5.539 -14.109 1.00 22.24 H new ATOM 0 HE2 TYR A 85 -16.911 -7.771 -11.728 1.00 44.33 H new ATOM 0 HH TYR A 85 -18.266 -8.702 -13.204 1.00 61.32 H new ATOM 1418 N GLN A 86 -18.020 -3.779 -8.722 1.00 14.13 N ATOM 1419 CA GLN A 86 -18.231 -4.204 -7.343 1.00 72.31 C ATOM 1420 C GLN A 86 -17.728 -3.148 -6.364 1.00 72.35 C ATOM 1421 O GLN A 86 -18.286 -2.977 -5.281 1.00 74.51 O ATOM 1422 CB GLN A 86 -17.523 -5.535 -7.084 1.00 32.31 C ATOM 1423 CG GLN A 86 -16.031 -5.496 -7.371 1.00 21.54 C ATOM 1424 CD GLN A 86 -15.321 -6.766 -6.942 1.00 51.33 C ATOM 1425 OE1 GLN A 86 -15.502 -7.244 -5.822 1.00 74.43 O ATOM 1426 NE2 GLN A 86 -14.507 -7.319 -7.834 1.00 11.22 N ATOM 0 H GLN A 86 -17.561 -4.473 -9.312 1.00 14.13 H new ATOM 0 HA GLN A 86 -19.302 -4.334 -7.189 1.00 72.31 H new ATOM 0 HB2 GLN A 86 -17.677 -5.823 -6.044 1.00 32.31 H new ATOM 0 HB3 GLN A 86 -17.983 -6.308 -7.700 1.00 32.31 H new ATOM 0 HG2 GLN A 86 -15.874 -5.339 -8.438 1.00 21.54 H new ATOM 0 HG3 GLN A 86 -15.588 -4.644 -6.855 1.00 21.54 H new ATOM 0 HE21 GLN A 86 -14.387 -6.888 -8.751 1.00 11.22 H new ATOM 0 HE22 GLN A 86 -14.002 -8.174 -7.602 1.00 11.22 H new ATOM 1435 N GLN A 87 -16.671 -2.443 -6.754 1.00 21.40 N ATOM 1436 CA GLN A 87 -16.093 -1.405 -5.910 1.00 5.24 C ATOM 1437 C GLN A 87 -17.136 -0.354 -5.548 1.00 15.43 C ATOM 1438 O GLN A 87 -17.040 0.300 -4.508 1.00 34.21 O ATOM 1439 CB GLN A 87 -14.909 -0.743 -6.617 1.00 51.15 C ATOM 1440 CG GLN A 87 -13.659 -1.607 -6.651 1.00 31.41 C ATOM 1441 CD GLN A 87 -12.473 -0.945 -5.978 1.00 32.11 C ATOM 1442 OE1 GLN A 87 -11.449 -0.688 -6.611 1.00 61.42 O ATOM 1443 NE2 GLN A 87 -12.606 -0.664 -4.687 1.00 23.22 N ATOM 0 H GLN A 87 -16.198 -2.572 -7.648 1.00 21.40 H new ATOM 0 HA GLN A 87 -15.742 -1.874 -4.991 1.00 5.24 H new ATOM 0 HB2 GLN A 87 -15.198 -0.497 -7.639 1.00 51.15 H new ATOM 0 HB3 GLN A 87 -14.677 0.197 -6.116 1.00 51.15 H new ATOM 0 HG2 GLN A 87 -13.866 -2.558 -6.160 1.00 31.41 H new ATOM 0 HG3 GLN A 87 -13.405 -1.831 -7.687 1.00 31.41 H new ATOM 0 HE21 GLN A 87 -13.473 -0.895 -4.202 1.00 23.22 H new ATOM 0 HE22 GLN A 87 -11.841 -0.217 -4.181 1.00 23.22 H new ATOM 1452 N LEU A 88 -18.133 -0.195 -6.412 1.00 11.15 N ATOM 1453 CA LEU A 88 -19.196 0.778 -6.183 1.00 61.11 C ATOM 1454 C LEU A 88 -19.830 0.579 -4.810 1.00 54.14 C ATOM 1455 O LEU A 88 -20.331 1.526 -4.205 1.00 53.01 O ATOM 1456 CB LEU A 88 -20.263 0.662 -7.273 1.00 34.34 C ATOM 1457 CG LEU A 88 -21.308 -0.437 -7.074 1.00 60.23 C ATOM 1458 CD1 LEU A 88 -22.500 0.094 -6.294 1.00 54.43 C ATOM 1459 CD2 LEU A 88 -21.754 -0.998 -8.417 1.00 24.11 C ATOM 0 H LEU A 88 -18.228 -0.727 -7.277 1.00 11.15 H new ATOM 0 HA LEU A 88 -18.757 1.775 -6.218 1.00 61.11 H new ATOM 0 HB2 LEU A 88 -20.780 1.618 -7.350 1.00 34.34 H new ATOM 0 HB3 LEU A 88 -19.763 0.492 -8.227 1.00 34.34 H new ATOM 0 HG LEU A 88 -20.854 -1.243 -6.498 1.00 60.23 H new ATOM 0 HD11 LEU A 88 -23.233 -0.702 -6.162 1.00 54.43 H new ATOM 0 HD12 LEU A 88 -22.168 0.447 -5.317 1.00 54.43 H new ATOM 0 HD13 LEU A 88 -22.955 0.919 -6.842 1.00 54.43 H new ATOM 0 HD21 LEU A 88 -22.497 -1.779 -8.256 1.00 24.11 H new ATOM 0 HD22 LEU A 88 -22.190 -0.200 -9.018 1.00 24.11 H new ATOM 0 HD23 LEU A 88 -20.894 -1.418 -8.940 1.00 24.11 H new ATOM 1471 N GLU A 89 -19.803 -0.658 -4.325 1.00 21.30 N ATOM 1472 CA GLU A 89 -20.375 -0.980 -3.023 1.00 25.13 C ATOM 1473 C GLU A 89 -19.570 -0.332 -1.900 1.00 4.40 C ATOM 1474 O GLU A 89 -20.134 0.203 -0.946 1.00 33.45 O ATOM 1475 CB GLU A 89 -20.421 -2.496 -2.822 1.00 21.22 C ATOM 1476 CG GLU A 89 -20.985 -2.915 -1.474 1.00 43.24 C ATOM 1477 CD GLU A 89 -21.006 -4.420 -1.293 1.00 75.12 C ATOM 1478 OE1 GLU A 89 -19.928 -5.007 -1.067 1.00 3.32 O ATOM 1479 OE2 GLU A 89 -22.103 -5.011 -1.378 1.00 34.42 O ATOM 0 H GLU A 89 -19.391 -1.453 -4.814 1.00 21.30 H new ATOM 0 HA GLU A 89 -21.391 -0.586 -2.994 1.00 25.13 H new ATOM 0 HB2 GLU A 89 -21.025 -2.941 -3.613 1.00 21.22 H new ATOM 0 HB3 GLU A 89 -19.413 -2.898 -2.926 1.00 21.22 H new ATOM 0 HG2 GLU A 89 -20.389 -2.466 -0.680 1.00 43.24 H new ATOM 0 HG3 GLU A 89 -21.998 -2.526 -1.372 1.00 43.24 H new ATOM 1486 N SER A 90 -18.247 -0.384 -2.022 1.00 10.51 N ATOM 1487 CA SER A 90 -17.363 0.194 -1.016 1.00 55.40 C ATOM 1488 C SER A 90 -17.456 1.717 -1.023 1.00 5.24 C ATOM 1489 O SER A 90 -17.491 2.352 0.032 1.00 43.21 O ATOM 1490 CB SER A 90 -15.918 -0.242 -1.265 1.00 53.41 C ATOM 1491 OG SER A 90 -15.849 -1.216 -2.292 1.00 53.41 O ATOM 0 H SER A 90 -17.764 -0.820 -2.807 1.00 10.51 H new ATOM 0 HA SER A 90 -17.680 -0.168 -0.038 1.00 55.40 H new ATOM 0 HB2 SER A 90 -15.316 0.624 -1.540 1.00 53.41 H new ATOM 0 HB3 SER A 90 -15.494 -0.647 -0.346 1.00 53.41 H new ATOM 0 HG SER A 90 -14.915 -1.477 -2.433 1.00 53.41 H new ATOM 1497 N ILE A 91 -17.494 2.296 -2.218 1.00 11.11 N ATOM 1498 CA ILE A 91 -17.583 3.744 -2.363 1.00 31.25 C ATOM 1499 C ILE A 91 -18.923 4.266 -1.856 1.00 33.55 C ATOM 1500 O ILE A 91 -18.987 5.298 -1.188 1.00 40.21 O ATOM 1501 CB ILE A 91 -17.399 4.175 -3.829 1.00 44.43 C ATOM 1502 CG1 ILE A 91 -16.041 3.705 -4.355 1.00 72.54 C ATOM 1503 CG2 ILE A 91 -17.527 5.686 -3.957 1.00 72.01 C ATOM 1504 CD1 ILE A 91 -16.103 3.121 -5.750 1.00 21.14 C ATOM 0 H ILE A 91 -17.465 1.785 -3.100 1.00 11.11 H new ATOM 0 HA ILE A 91 -16.779 4.171 -1.764 1.00 31.25 H new ATOM 0 HB ILE A 91 -18.181 3.711 -4.429 1.00 44.43 H new ATOM 0 HG12 ILE A 91 -15.348 4.547 -4.352 1.00 72.54 H new ATOM 0 HG13 ILE A 91 -15.636 2.957 -3.674 1.00 72.54 H new ATOM 0 HG21 ILE A 91 -17.394 5.975 -4.999 1.00 72.01 H new ATOM 0 HG22 ILE A 91 -18.514 5.998 -3.617 1.00 72.01 H new ATOM 0 HG23 ILE A 91 -16.764 6.169 -3.347 1.00 72.01 H new ATOM 0 HD11 ILE A 91 -15.105 2.809 -6.058 1.00 21.14 H new ATOM 0 HD12 ILE A 91 -16.770 2.259 -5.754 1.00 21.14 H new ATOM 0 HD13 ILE A 91 -16.478 3.874 -6.443 1.00 21.14 H new ATOM 1516 N TYR A 92 -19.992 3.544 -2.175 1.00 42.13 N ATOM 1517 CA TYR A 92 -21.332 3.934 -1.753 1.00 3.22 C ATOM 1518 C TYR A 92 -21.482 3.814 -0.239 1.00 52.34 C ATOM 1519 O TYR A 92 -22.126 4.646 0.400 1.00 12.31 O ATOM 1520 CB TYR A 92 -22.382 3.068 -2.451 1.00 44.31 C ATOM 1521 CG TYR A 92 -22.912 3.674 -3.731 1.00 13.13 C ATOM 1522 CD1 TYR A 92 -22.071 3.914 -4.810 1.00 44.10 C ATOM 1523 CD2 TYR A 92 -24.255 4.008 -3.860 1.00 62.54 C ATOM 1524 CE1 TYR A 92 -22.551 4.468 -5.981 1.00 2.10 C ATOM 1525 CE2 TYR A 92 -24.744 4.560 -5.028 1.00 0.50 C ATOM 1526 CZ TYR A 92 -23.888 4.789 -6.085 1.00 51.12 C ATOM 1527 OH TYR A 92 -24.371 5.341 -7.249 1.00 52.15 O ATOM 0 H TYR A 92 -19.956 2.685 -2.725 1.00 42.13 H new ATOM 0 HA TYR A 92 -21.485 4.976 -2.034 1.00 3.22 H new ATOM 0 HB2 TYR A 92 -21.948 2.093 -2.673 1.00 44.31 H new ATOM 0 HB3 TYR A 92 -23.214 2.898 -1.767 1.00 44.31 H new ATOM 0 HD1 TYR A 92 -21.023 3.663 -4.732 1.00 44.10 H new ATOM 0 HD2 TYR A 92 -24.927 3.833 -3.033 1.00 62.54 H new ATOM 0 HE1 TYR A 92 -21.883 4.649 -6.810 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -25.791 4.811 -5.113 1.00 0.50 H new ATOM 0 HH TYR A 92 -25.333 5.507 -7.158 1.00 52.15 H new ATOM 1537 N PHE A 93 -20.883 2.773 0.328 1.00 64.34 N ATOM 1538 CA PHE A 93 -20.949 2.542 1.766 1.00 71.01 C ATOM 1539 C PHE A 93 -20.200 3.632 2.527 1.00 62.11 C ATOM 1540 O PHE A 93 -20.736 4.235 3.456 1.00 0.35 O ATOM 1541 CB PHE A 93 -20.366 1.170 2.111 1.00 1.23 C ATOM 1542 CG PHE A 93 -20.684 0.718 3.508 1.00 73.33 C ATOM 1543 CD1 PHE A 93 -21.906 0.131 3.798 1.00 4.34 C ATOM 1544 CD2 PHE A 93 -19.762 0.878 4.529 1.00 14.24 C ATOM 1545 CE1 PHE A 93 -22.201 -0.285 5.083 1.00 74.14 C ATOM 1546 CE2 PHE A 93 -20.052 0.463 5.816 1.00 54.34 C ATOM 1547 CZ PHE A 93 -21.273 -0.120 6.092 1.00 33.12 C ATOM 0 H PHE A 93 -20.346 2.075 -0.187 1.00 64.34 H new ATOM 0 HA PHE A 93 -21.997 2.569 2.065 1.00 71.01 H new ATOM 0 HB2 PHE A 93 -20.747 0.434 1.404 1.00 1.23 H new ATOM 0 HB3 PHE A 93 -19.284 1.202 1.985 1.00 1.23 H new ATOM 0 HD1 PHE A 93 -22.635 -0.003 3.012 1.00 4.34 H new ATOM 0 HD2 PHE A 93 -18.805 1.332 4.318 1.00 14.24 H new ATOM 0 HE1 PHE A 93 -23.157 -0.739 5.298 1.00 74.14 H new ATOM 0 HE2 PHE A 93 -19.325 0.595 6.604 1.00 54.34 H new ATOM 0 HZ PHE A 93 -21.502 -0.446 7.096 1.00 33.12 H new ATOM 1557 N ARG A 94 -18.957 3.878 2.125 1.00 30.24 N ATOM 1558 CA ARG A 94 -18.133 4.893 2.770 1.00 42.22 C ATOM 1559 C ARG A 94 -18.739 6.282 2.587 1.00 64.32 C ATOM 1560 O ARG A 94 -18.620 7.141 3.460 1.00 4.43 O ATOM 1561 CB ARG A 94 -16.713 4.865 2.200 1.00 13.21 C ATOM 1562 CG ARG A 94 -16.642 5.224 0.725 1.00 60.42 C ATOM 1563 CD ARG A 94 -15.250 4.985 0.160 1.00 12.43 C ATOM 1564 NE ARG A 94 -14.837 3.591 0.293 1.00 71.13 N ATOM 1565 CZ ARG A 94 -13.763 3.083 -0.302 1.00 34.12 C ATOM 1566 NH1 ARG A 94 -12.998 3.851 -1.065 1.00 74.02 N ATOM 1567 NH2 ARG A 94 -13.453 1.804 -0.133 1.00 24.01 N ATOM 0 H ARG A 94 -18.499 3.389 1.356 1.00 30.24 H new ATOM 0 HA ARG A 94 -18.094 4.670 3.836 1.00 42.22 H new ATOM 0 HB2 ARG A 94 -16.090 5.559 2.765 1.00 13.21 H new ATOM 0 HB3 ARG A 94 -16.292 3.870 2.344 1.00 13.21 H new ATOM 0 HG2 ARG A 94 -17.368 4.631 0.170 1.00 60.42 H new ATOM 0 HG3 ARG A 94 -16.916 6.270 0.590 1.00 60.42 H new ATOM 0 HD2 ARG A 94 -15.232 5.269 -0.892 1.00 12.43 H new ATOM 0 HD3 ARG A 94 -14.535 5.626 0.676 1.00 12.43 H new ATOM 0 HE ARG A 94 -15.404 2.973 0.874 1.00 71.13 H new ATOM 0 HH11 ARG A 94 -13.233 4.835 -1.197 1.00 74.02 H new ATOM 0 HH12 ARG A 94 -12.174 3.458 -1.520 1.00 74.02 H new ATOM 0 HH21 ARG A 94 -14.039 1.210 0.454 1.00 24.01 H new ATOM 0 HH22 ARG A 94 -12.628 1.414 -0.590 1.00 24.01 H new ATOM 1581 N ILE A 95 -19.387 6.493 1.446 1.00 20.14 N ATOM 1582 CA ILE A 95 -20.011 7.776 1.150 1.00 53.23 C ATOM 1583 C ILE A 95 -21.362 7.904 1.845 1.00 11.35 C ATOM 1584 O ILE A 95 -21.830 9.011 2.119 1.00 24.41 O ATOM 1585 CB ILE A 95 -20.207 7.970 -0.366 1.00 5.34 C ATOM 1586 CG1 ILE A 95 -18.857 8.188 -1.052 1.00 64.11 C ATOM 1587 CG2 ILE A 95 -21.138 9.143 -0.634 1.00 33.43 C ATOM 1588 CD1 ILE A 95 -18.940 8.191 -2.562 1.00 72.14 C ATOM 0 H ILE A 95 -19.493 5.792 0.712 1.00 20.14 H new ATOM 0 HA ILE A 95 -19.338 8.548 1.524 1.00 53.23 H new ATOM 0 HB ILE A 95 -20.662 7.069 -0.777 1.00 5.34 H new ATOM 0 HG12 ILE A 95 -18.438 9.137 -0.717 1.00 64.11 H new ATOM 0 HG13 ILE A 95 -18.167 7.405 -0.736 1.00 64.11 H new ATOM 0 HG21 ILE A 95 -21.266 9.267 -1.709 1.00 33.43 H new ATOM 0 HG22 ILE A 95 -22.107 8.951 -0.173 1.00 33.43 H new ATOM 0 HG23 ILE A 95 -20.709 10.052 -0.212 1.00 33.43 H new ATOM 0 HD11 ILE A 95 -17.946 8.351 -2.981 1.00 72.14 H new ATOM 0 HD12 ILE A 95 -19.330 7.233 -2.907 1.00 72.14 H new ATOM 0 HD13 ILE A 95 -19.604 8.991 -2.888 1.00 72.14 H new ATOM 1600 N LEU A 96 -21.985 6.766 2.131 1.00 65.00 N ATOM 1601 CA LEU A 96 -23.282 6.750 2.798 1.00 71.25 C ATOM 1602 C LEU A 96 -23.116 6.630 4.309 1.00 33.31 C ATOM 1603 O LEU A 96 -24.092 6.695 5.059 1.00 63.35 O ATOM 1604 CB LEU A 96 -24.133 5.592 2.273 1.00 64.33 C ATOM 1605 CG LEU A 96 -25.567 5.521 2.797 1.00 54.42 C ATOM 1606 CD1 LEU A 96 -26.558 5.515 1.643 1.00 64.34 C ATOM 1607 CD2 LEU A 96 -25.756 4.290 3.671 1.00 50.11 C ATOM 0 H LEU A 96 -21.613 5.842 1.911 1.00 65.00 H new ATOM 0 HA LEU A 96 -23.786 7.691 2.581 1.00 71.25 H new ATOM 0 HB2 LEU A 96 -24.168 5.657 1.186 1.00 64.33 H new ATOM 0 HB3 LEU A 96 -23.630 4.657 2.520 1.00 64.33 H new ATOM 0 HG LEU A 96 -25.755 6.406 3.405 1.00 54.42 H new ATOM 0 HD11 LEU A 96 -27.574 5.464 2.036 1.00 64.34 H new ATOM 0 HD12 LEU A 96 -26.441 6.427 1.058 1.00 64.34 H new ATOM 0 HD13 LEU A 96 -26.371 4.650 1.007 1.00 64.34 H new ATOM 0 HD21 LEU A 96 -26.783 4.256 4.035 1.00 50.11 H new ATOM 0 HD22 LEU A 96 -25.549 3.394 3.087 1.00 50.11 H new ATOM 0 HD23 LEU A 96 -25.072 4.337 4.518 1.00 50.11 H new ATOM 1619 N LEU A 97 -21.876 6.456 4.751 1.00 44.31 N ATOM 1620 CA LEU A 97 -21.581 6.330 6.174 1.00 20.40 C ATOM 1621 C LEU A 97 -22.364 7.357 6.986 1.00 65.13 C ATOM 1622 O LEU A 97 -22.805 8.385 6.472 1.00 71.23 O ATOM 1623 CB LEU A 97 -20.081 6.502 6.422 1.00 54.12 C ATOM 1624 CG LEU A 97 -19.219 5.258 6.210 1.00 24.53 C ATOM 1625 CD1 LEU A 97 -17.743 5.625 6.208 1.00 1.14 C ATOM 1626 CD2 LEU A 97 -19.510 4.218 7.283 1.00 42.12 C ATOM 0 H LEU A 97 -21.058 6.399 4.144 1.00 44.31 H new ATOM 0 HA LEU A 97 -21.884 5.333 6.495 1.00 20.40 H new ATOM 0 HB2 LEU A 97 -19.713 7.291 5.766 1.00 54.12 H new ATOM 0 HB3 LEU A 97 -19.940 6.847 7.446 1.00 54.12 H new ATOM 0 HG LEU A 97 -19.467 4.829 5.239 1.00 24.53 H new ATOM 0 HD11 LEU A 97 -17.145 4.727 6.056 1.00 1.14 H new ATOM 0 HD12 LEU A 97 -17.545 6.333 5.403 1.00 1.14 H new ATOM 0 HD13 LEU A 97 -17.480 6.079 7.163 1.00 1.14 H new ATOM 0 HD21 LEU A 97 -18.887 3.339 7.116 1.00 42.12 H new ATOM 0 HD22 LEU A 97 -19.291 4.637 8.265 1.00 42.12 H new ATOM 0 HD23 LEU A 97 -20.561 3.932 7.237 1.00 42.12 H new ATOM 1638 N PRO A 98 -22.539 7.076 8.285 1.00 24.45 N ATOM 1639 CA PRO A 98 -23.266 7.964 9.197 1.00 42.22 C ATOM 1640 C PRO A 98 -22.504 9.255 9.478 1.00 14.10 C ATOM 1641 O PRO A 98 -23.099 10.329 9.578 1.00 30.44 O ATOM 1642 CB PRO A 98 -23.397 7.132 10.475 1.00 70.55 C ATOM 1643 CG PRO A 98 -22.257 6.175 10.422 1.00 64.52 C ATOM 1644 CD PRO A 98 -22.040 5.869 8.966 1.00 63.44 C ATOM 0 HA PRO A 98 -24.222 8.282 8.780 1.00 42.22 H new ATOM 0 HB2 PRO A 98 -23.345 7.761 11.364 1.00 70.55 H new ATOM 0 HB3 PRO A 98 -24.352 6.608 10.510 1.00 70.55 H new ATOM 0 HG2 PRO A 98 -21.362 6.610 10.867 1.00 64.52 H new ATOM 0 HG3 PRO A 98 -22.483 5.268 10.982 1.00 64.52 H new ATOM 0 HD2 PRO A 98 -20.988 5.690 8.746 1.00 63.44 H new ATOM 0 HD3 PRO A 98 -22.587 4.978 8.657 1.00 63.44 H new ATOM 1652 N TYR A 99 -21.187 9.144 9.604 1.00 62.33 N ATOM 1653 CA TYR A 99 -20.344 10.302 9.875 1.00 13.44 C ATOM 1654 C TYR A 99 -20.267 11.218 8.657 1.00 34.33 C ATOM 1655 O TYR A 99 -20.363 12.438 8.778 1.00 13.42 O ATOM 1656 CB TYR A 99 -18.939 9.854 10.280 1.00 70.22 C ATOM 1657 CG TYR A 99 -18.790 9.591 11.761 1.00 0.44 C ATOM 1658 CD1 TYR A 99 -19.722 8.823 12.448 1.00 70.43 C ATOM 1659 CD2 TYR A 99 -17.718 10.113 12.475 1.00 32.21 C ATOM 1660 CE1 TYR A 99 -19.591 8.581 13.801 1.00 25.45 C ATOM 1661 CE2 TYR A 99 -17.578 9.875 13.829 1.00 62.14 C ATOM 1662 CZ TYR A 99 -18.517 9.108 14.487 1.00 4.53 C ATOM 1663 OH TYR A 99 -18.381 8.870 15.836 1.00 51.32 O ATOM 0 H TYR A 99 -20.679 8.263 9.523 1.00 62.33 H new ATOM 0 HA TYR A 99 -20.791 10.859 10.698 1.00 13.44 H new ATOM 0 HB2 TYR A 99 -18.684 8.947 9.731 1.00 70.22 H new ATOM 0 HB3 TYR A 99 -18.223 10.620 9.982 1.00 70.22 H new ATOM 0 HD1 TYR A 99 -20.564 8.408 11.914 1.00 70.43 H new ATOM 0 HD2 TYR A 99 -16.982 10.715 11.963 1.00 32.21 H new ATOM 0 HE1 TYR A 99 -20.326 7.982 14.319 1.00 25.45 H new ATOM 0 HE2 TYR A 99 -16.738 10.287 14.369 1.00 62.14 H new ATOM 0 HH TYR A 99 -17.571 9.312 16.166 1.00 51.32 H new ATOM 1673 N GLU A 100 -20.094 10.617 7.484 1.00 52.10 N ATOM 1674 CA GLU A 100 -20.004 11.378 6.243 1.00 31.22 C ATOM 1675 C GLU A 100 -21.323 12.084 5.941 1.00 3.11 C ATOM 1676 O GLU A 100 -21.345 13.278 5.641 1.00 11.05 O ATOM 1677 CB GLU A 100 -19.628 10.457 5.080 1.00 32.15 C ATOM 1678 CG GLU A 100 -18.473 10.977 4.241 1.00 33.21 C ATOM 1679 CD GLU A 100 -18.929 11.907 3.134 1.00 74.45 C ATOM 1680 OE1 GLU A 100 -19.755 11.476 2.301 1.00 43.33 O ATOM 1681 OE2 GLU A 100 -18.461 13.064 3.099 1.00 33.31 O ATOM 0 H GLU A 100 -20.013 9.607 7.367 1.00 52.10 H new ATOM 0 HA GLU A 100 -19.227 12.133 6.365 1.00 31.22 H new ATOM 0 HB2 GLU A 100 -19.366 9.475 5.475 1.00 32.15 H new ATOM 0 HB3 GLU A 100 -20.499 10.321 4.439 1.00 32.15 H new ATOM 0 HG2 GLU A 100 -17.769 11.503 4.885 1.00 33.21 H new ATOM 0 HG3 GLU A 100 -17.937 10.134 3.805 1.00 33.21 H new ATOM 1688 N ARG A 101 -22.419 11.337 6.022 1.00 51.42 N ATOM 1689 CA ARG A 101 -23.741 11.891 5.756 1.00 75.45 C ATOM 1690 C ARG A 101 -24.117 12.931 6.807 1.00 74.13 C ATOM 1691 O ARG A 101 -24.842 13.884 6.520 1.00 12.44 O ATOM 1692 CB ARG A 101 -24.788 10.775 5.729 1.00 13.40 C ATOM 1693 CG ARG A 101 -25.209 10.302 7.111 1.00 65.53 C ATOM 1694 CD ARG A 101 -26.430 11.057 7.611 1.00 21.31 C ATOM 1695 NE ARG A 101 -27.646 10.254 7.517 1.00 73.10 N ATOM 1696 CZ ARG A 101 -27.976 9.314 8.396 1.00 53.12 C ATOM 1697 NH1 ARG A 101 -27.185 9.061 9.429 1.00 32.21 N ATOM 1698 NH2 ARG A 101 -29.100 8.626 8.242 1.00 33.31 N ATOM 0 H ARG A 101 -22.418 10.347 6.269 1.00 51.42 H new ATOM 0 HA ARG A 101 -23.714 12.379 4.782 1.00 75.45 H new ATOM 0 HB2 ARG A 101 -25.668 11.127 5.191 1.00 13.40 H new ATOM 0 HB3 ARG A 101 -24.390 9.928 5.170 1.00 13.40 H new ATOM 0 HG2 ARG A 101 -25.428 9.235 7.080 1.00 65.53 H new ATOM 0 HG3 ARG A 101 -24.384 10.439 7.810 1.00 65.53 H new ATOM 0 HD2 ARG A 101 -26.272 11.356 8.647 1.00 21.31 H new ATOM 0 HD3 ARG A 101 -26.554 11.971 7.031 1.00 21.31 H new ATOM 0 HE ARG A 101 -28.277 10.424 6.734 1.00 73.10 H new ATOM 0 HH11 ARG A 101 -26.321 9.589 9.551 1.00 32.21 H new ATOM 0 HH12 ARG A 101 -27.441 8.339 10.102 1.00 32.21 H new ATOM 0 HH21 ARG A 101 -29.711 8.819 7.448 1.00 33.31 H new ATOM 0 HH22 ARG A 101 -29.353 7.904 8.917 1.00 33.31 H new ATOM 1712 N HIS A 102 -23.620 12.740 8.025 1.00 51.43 N ATOM 1713 CA HIS A 102 -23.904 13.662 9.119 1.00 44.20 C ATOM 1714 C HIS A 102 -23.228 15.010 8.883 1.00 73.21 C ATOM 1715 O HIS A 102 -23.856 16.060 9.013 1.00 41.32 O ATOM 1716 CB HIS A 102 -23.434 13.069 10.448 1.00 53.22 C ATOM 1717 CG HIS A 102 -24.490 12.279 11.157 1.00 33.32 C ATOM 1718 ND1 HIS A 102 -24.204 11.219 11.992 1.00 41.30 N ATOM 1719 CD2 HIS A 102 -25.838 12.399 11.154 1.00 55.31 C ATOM 1720 CE1 HIS A 102 -25.330 10.721 12.470 1.00 12.31 C ATOM 1721 NE2 HIS A 102 -26.337 11.420 11.977 1.00 20.12 N ATOM 0 H HIS A 102 -23.019 11.956 8.279 1.00 51.43 H new ATOM 0 HA HIS A 102 -24.982 13.818 9.160 1.00 44.20 H new ATOM 0 HB2 HIS A 102 -22.572 12.427 10.266 1.00 53.22 H new ATOM 0 HB3 HIS A 102 -23.098 13.877 11.098 1.00 53.22 H new ATOM 0 HD2 HIS A 102 -26.414 13.130 10.606 1.00 55.31 H new ATOM 0 HE1 HIS A 102 -25.413 9.885 13.148 1.00 12.31 H new ATOM 0 HE2 HIS A 102 -27.324 11.259 12.176 1.00 20.12 H new ATOM 1729 N MET A 103 -21.946 14.971 8.536 1.00 22.15 N ATOM 1730 CA MET A 103 -21.186 16.189 8.282 1.00 11.52 C ATOM 1731 C MET A 103 -21.820 17.000 7.157 1.00 52.55 C ATOM 1732 O MET A 103 -21.960 18.220 7.260 1.00 22.52 O ATOM 1733 CB MET A 103 -19.738 15.848 7.927 1.00 4.12 C ATOM 1734 CG MET A 103 -18.766 16.051 9.078 1.00 21.34 C ATOM 1735 SD MET A 103 -18.707 14.636 10.195 1.00 40.03 S ATOM 1736 CE MET A 103 -18.359 15.448 11.753 1.00 54.43 C ATOM 0 H MET A 103 -21.412 14.109 8.424 1.00 22.15 H new ATOM 0 HA MET A 103 -21.197 16.791 9.191 1.00 11.52 H new ATOM 0 HB2 MET A 103 -19.688 14.810 7.599 1.00 4.12 H new ATOM 0 HB3 MET A 103 -19.424 16.464 7.084 1.00 4.12 H new ATOM 0 HG2 MET A 103 -17.769 16.235 8.678 1.00 21.34 H new ATOM 0 HG3 MET A 103 -19.054 16.940 9.639 1.00 21.34 H new ATOM 0 HE1 MET A 103 -18.293 14.702 12.545 1.00 54.43 H new ATOM 0 HE2 MET A 103 -17.413 15.985 11.680 1.00 54.43 H new ATOM 0 HE3 MET A 103 -19.159 16.152 11.983 1.00 54.43 H new ATOM 1746 N ILE A 104 -22.202 16.317 6.083 1.00 65.20 N ATOM 1747 CA ILE A 104 -22.821 16.975 4.939 1.00 32.43 C ATOM 1748 C ILE A 104 -24.277 17.323 5.228 1.00 13.32 C ATOM 1749 O ILE A 104 -24.847 18.219 4.605 1.00 10.35 O ATOM 1750 CB ILE A 104 -22.757 16.092 3.679 1.00 22.41 C ATOM 1751 CG1 ILE A 104 -23.584 14.820 3.878 1.00 52.01 C ATOM 1752 CG2 ILE A 104 -21.313 15.744 3.349 1.00 42.30 C ATOM 1753 CD1 ILE A 104 -23.561 13.891 2.684 1.00 11.31 C ATOM 0 H ILE A 104 -22.094 15.308 5.981 1.00 65.20 H new ATOM 0 HA ILE A 104 -22.259 17.891 4.759 1.00 32.43 H new ATOM 0 HB ILE A 104 -23.177 16.649 2.842 1.00 22.41 H new ATOM 0 HG12 ILE A 104 -23.209 14.286 4.751 1.00 52.01 H new ATOM 0 HG13 ILE A 104 -24.616 15.097 4.093 1.00 52.01 H new ATOM 0 HG21 ILE A 104 -21.284 15.120 2.456 1.00 42.30 H new ATOM 0 HG22 ILE A 104 -20.750 16.660 3.170 1.00 42.30 H new ATOM 0 HG23 ILE A 104 -20.869 15.203 4.185 1.00 42.30 H new ATOM 0 HD11 ILE A 104 -24.168 13.011 2.896 1.00 11.31 H new ATOM 0 HD12 ILE A 104 -23.963 14.408 1.813 1.00 11.31 H new ATOM 0 HD13 ILE A 104 -22.535 13.584 2.482 1.00 11.31 H new ATOM 1765 N SER A 105 -24.874 16.610 6.178 1.00 4.12 N ATOM 1766 CA SER A 105 -26.265 16.843 6.549 1.00 24.41 C ATOM 1767 C SER A 105 -26.454 18.257 7.088 1.00 50.43 C ATOM 1768 O SER A 105 -27.516 18.858 6.924 1.00 62.42 O ATOM 1769 CB SER A 105 -26.713 15.822 7.597 1.00 64.32 C ATOM 1770 OG SER A 105 -27.519 16.431 8.590 1.00 32.30 O ATOM 0 H SER A 105 -24.416 15.866 6.705 1.00 4.12 H new ATOM 0 HA SER A 105 -26.878 16.729 5.655 1.00 24.41 H new ATOM 0 HB2 SER A 105 -27.271 15.020 7.113 1.00 64.32 H new ATOM 0 HB3 SER A 105 -25.839 15.367 8.063 1.00 64.32 H new ATOM 0 HG SER A 105 -27.794 15.757 9.247 1.00 32.30 H new ATOM 1776 N GLN A 106 -25.416 18.783 7.731 1.00 73.12 N ATOM 1777 CA GLN A 106 -25.468 20.127 8.294 1.00 33.34 C ATOM 1778 C GLN A 106 -25.843 21.150 7.228 1.00 43.34 C ATOM 1779 O GLN A 106 -26.573 22.103 7.498 1.00 3.12 O ATOM 1780 CB GLN A 106 -24.121 20.493 8.919 1.00 62.00 C ATOM 1781 CG GLN A 106 -23.979 20.046 10.365 1.00 61.11 C ATOM 1782 CD GLN A 106 -22.540 20.065 10.843 1.00 34.12 C ATOM 1783 OE1 GLN A 106 -21.762 19.160 10.542 1.00 61.14 O ATOM 1784 NE2 GLN A 106 -22.179 21.099 11.593 1.00 13.44 N ATOM 0 H GLN A 106 -24.530 18.299 7.875 1.00 73.12 H new ATOM 0 HA GLN A 106 -26.235 20.140 9.068 1.00 33.34 H new ATOM 0 HB2 GLN A 106 -23.322 20.044 8.329 1.00 62.00 H new ATOM 0 HB3 GLN A 106 -23.987 21.574 8.867 1.00 62.00 H new ATOM 0 HG2 GLN A 106 -24.578 20.696 11.003 1.00 61.11 H new ATOM 0 HG3 GLN A 106 -24.380 19.038 10.471 1.00 61.11 H new ATOM 0 HE21 GLN A 106 -22.857 21.827 11.818 1.00 13.44 H new ATOM 0 HE22 GLN A 106 -21.224 21.166 11.944 1.00 13.44 H new ATOM 1793 N GLU A 107 -25.337 20.946 6.015 1.00 12.21 N ATOM 1794 CA GLU A 107 -25.618 21.853 4.908 1.00 35.04 C ATOM 1795 C GLU A 107 -26.467 21.164 3.843 1.00 43.50 C ATOM 1796 O GLU A 107 -26.483 21.577 2.684 1.00 5.32 O ATOM 1797 CB GLU A 107 -24.313 22.358 4.289 1.00 34.13 C ATOM 1798 CG GLU A 107 -24.343 23.833 3.926 1.00 62.10 C ATOM 1799 CD GLU A 107 -22.955 24.416 3.741 1.00 73.25 C ATOM 1800 OE1 GLU A 107 -22.406 24.295 2.625 1.00 12.52 O ATOM 1801 OE2 GLU A 107 -22.419 24.992 4.710 1.00 63.33 O ATOM 0 H GLU A 107 -24.731 20.161 5.775 1.00 12.21 H new ATOM 0 HA GLU A 107 -26.177 22.702 5.300 1.00 35.04 H new ATOM 0 HB2 GLU A 107 -23.496 22.181 4.989 1.00 34.13 H new ATOM 0 HB3 GLU A 107 -24.097 21.776 3.393 1.00 34.13 H new ATOM 0 HG2 GLU A 107 -24.914 23.966 3.007 1.00 62.10 H new ATOM 0 HG3 GLU A 107 -24.864 24.385 4.708 1.00 62.10 H new