USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc=-0.00952 K(o=1.4,f=0.84) USER MOD Set 1.2: A 26 TYR OH : rot -133:sc= 1.37 USER MOD Set 2.1: A 19 GLN : amide:sc= 0.797 K(o=2.2,f=-0.91) USER MOD Set 2.2: A 33 THR OG1 : rot -141:sc= 1.2 USER MOD Set 2.3: A 59 ASN : amide:sc= 0.178 K(o=2.2,f=-0.91) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= -0.19 (180deg=-0.318) USER MOD Single : A 9 SER OG : rot -67:sc= 0.528 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.0042) USER MOD Single : A 16 SER OG : rot 81:sc= 1.26 USER MOD Single : A 17 SER OG : rot 78:sc= 0.955 USER MOD Single : A 23 LYS NZ :NH3+ -141:sc= -0.334 (180deg=-2.1!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00351 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00999 USER MOD Single : A 38 GLN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.623) USER MOD Single : A 46 SER OG : rot 140:sc= 0 USER MOD Single : A 47 MET CE :methyl -132:sc= -1.87! (180deg=-2.7) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 0.816 (180deg=0.603) USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= 0.938 (180deg=0.835) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 64 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.1) USER MOD Single : A 67 ASN : amide:sc= -0.471 X(o=-0.47,f=-0.24) USER MOD Single : A 70 GLN : amide:sc= -0.54 K(o=-0.54,f=-2.5!) USER MOD Single : A 71 ASN : amide:sc= -0.0684 K(o=-0.068,f=-0.75) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 141:sc= 0.782 (180deg=-0.13) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= -0.0043 (180deg=-0.0588) USER MOD Single : A 85 SER OG : rot 140:sc= 0.708 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 85:sc= 0.65 USER MOD Single : A 93 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0.657 (180deg=0.587) USER MOD Single : A 101 THR OG1 : rot -33:sc= 0.0446 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 1.886 10.767 1.138 1.00 1.31 N ATOM 28 CA LYS A 3 1.253 9.822 2.083 1.00 14.24 C ATOM 29 C LYS A 3 0.913 8.524 1.337 1.00 4.31 C ATOM 30 O LYS A 3 0.492 8.565 0.176 1.00 4.44 O ATOM 31 CB LYS A 3 -0.035 10.444 2.707 1.00 72.32 C ATOM 32 CG LYS A 3 -0.643 9.626 3.879 1.00 13.22 C ATOM 33 CD LYS A 3 -1.904 10.287 4.489 1.00 61.45 C ATOM 34 CE LYS A 3 -2.403 9.585 5.766 1.00 40.15 C ATOM 35 NZ LYS A 3 -2.823 8.177 5.532 1.00 74.14 N ATOM 0 HA LYS A 3 1.947 9.607 2.896 1.00 14.24 H new ATOM 0 HB2 LYS A 3 0.197 11.448 3.063 1.00 72.32 H new ATOM 0 HB3 LYS A 3 -0.788 10.550 1.926 1.00 72.32 H new ATOM 0 HG2 LYS A 3 -0.899 8.628 3.524 1.00 13.22 H new ATOM 0 HG3 LYS A 3 0.109 9.504 4.658 1.00 13.22 H new ATOM 0 HD2 LYS A 3 -1.684 11.330 4.718 1.00 61.45 H new ATOM 0 HD3 LYS A 3 -2.702 10.285 3.746 1.00 61.45 H new ATOM 0 HE2 LYS A 3 -1.612 9.602 6.516 1.00 40.15 H new ATOM 0 HE3 LYS A 3 -3.243 10.145 6.177 1.00 40.15 H new ATOM 0 HZ1 LYS A 3 -3.052 7.727 6.441 1.00 74.14 H new ATOM 0 HZ2 LYS A 3 -3.662 8.163 4.918 1.00 74.14 H new ATOM 0 HZ3 LYS A 3 -2.049 7.656 5.073 1.00 74.14 H new ATOM 49 N VAL A 4 1.107 7.371 1.994 1.00 23.15 N ATOM 50 CA VAL A 4 0.864 6.052 1.377 1.00 70.01 C ATOM 51 C VAL A 4 0.062 5.143 2.327 1.00 64.12 C ATOM 52 O VAL A 4 0.194 5.243 3.546 1.00 5.42 O ATOM 53 CB VAL A 4 2.211 5.367 0.934 1.00 52.35 C ATOM 54 CG1 VAL A 4 3.149 5.098 2.120 1.00 1.22 C ATOM 55 CG2 VAL A 4 1.957 4.082 0.126 1.00 63.31 C ATOM 0 H VAL A 4 1.434 7.322 2.959 1.00 23.15 H new ATOM 0 HA VAL A 4 0.268 6.209 0.478 1.00 70.01 H new ATOM 0 HB VAL A 4 2.717 6.078 0.281 1.00 52.35 H new ATOM 0 HG11 VAL A 4 4.063 4.625 1.761 1.00 1.22 H new ATOM 0 HG12 VAL A 4 3.396 6.040 2.609 1.00 1.22 H new ATOM 0 HG13 VAL A 4 2.655 4.438 2.832 1.00 1.22 H new ATOM 0 HG21 VAL A 4 2.910 3.639 -0.161 1.00 63.31 H new ATOM 0 HG22 VAL A 4 1.396 3.374 0.736 1.00 63.31 H new ATOM 0 HG23 VAL A 4 1.384 4.323 -0.770 1.00 63.31 H new ATOM 65 N LEU A 5 -0.805 4.295 1.742 1.00 62.01 N ATOM 66 CA LEU A 5 -1.604 3.303 2.475 1.00 41.32 C ATOM 67 C LEU A 5 -1.015 1.903 2.226 1.00 32.31 C ATOM 68 O LEU A 5 -1.201 1.322 1.149 1.00 60.51 O ATOM 69 CB LEU A 5 -3.093 3.365 2.028 1.00 61.53 C ATOM 70 CG LEU A 5 -4.085 2.423 2.790 1.00 1.40 C ATOM 71 CD1 LEU A 5 -4.134 2.755 4.293 1.00 11.22 C ATOM 72 CD2 LEU A 5 -5.498 2.454 2.158 1.00 4.15 C ATOM 0 H LEU A 5 -0.970 4.282 0.736 1.00 62.01 H new ATOM 0 HA LEU A 5 -1.569 3.522 3.542 1.00 41.32 H new ATOM 0 HB2 LEU A 5 -3.442 4.392 2.140 1.00 61.53 H new ATOM 0 HB3 LEU A 5 -3.142 3.126 0.966 1.00 61.53 H new ATOM 0 HG LEU A 5 -3.707 1.405 2.691 1.00 1.40 H new ATOM 0 HD11 LEU A 5 -4.832 2.082 4.792 1.00 11.22 H new ATOM 0 HD12 LEU A 5 -3.141 2.633 4.725 1.00 11.22 H new ATOM 0 HD13 LEU A 5 -4.464 3.785 4.427 1.00 11.22 H new ATOM 0 HD21 LEU A 5 -6.159 1.789 2.713 1.00 4.15 H new ATOM 0 HD22 LEU A 5 -5.891 3.470 2.195 1.00 4.15 H new ATOM 0 HD23 LEU A 5 -5.440 2.125 1.120 1.00 4.15 H new ATOM 84 N LEU A 6 -0.260 1.404 3.209 1.00 61.32 N ATOM 85 CA LEU A 6 0.340 0.067 3.175 1.00 61.15 C ATOM 86 C LEU A 6 -0.735 -0.970 3.568 1.00 41.53 C ATOM 87 O LEU A 6 -0.955 -1.237 4.756 1.00 33.02 O ATOM 88 CB LEU A 6 1.568 0.021 4.142 1.00 65.11 C ATOM 89 CG LEU A 6 2.411 -1.299 4.153 1.00 35.34 C ATOM 90 CD1 LEU A 6 3.022 -1.575 2.774 1.00 40.02 C ATOM 91 CD2 LEU A 6 3.502 -1.270 5.254 1.00 24.51 C ATOM 0 H LEU A 6 -0.046 1.923 4.061 1.00 61.32 H new ATOM 0 HA LEU A 6 0.698 -0.169 2.173 1.00 61.15 H new ATOM 0 HB2 LEU A 6 2.233 0.846 3.886 1.00 65.11 H new ATOM 0 HB3 LEU A 6 1.209 0.203 5.155 1.00 65.11 H new ATOM 0 HG LEU A 6 1.733 -2.119 4.389 1.00 35.34 H new ATOM 0 HD11 LEU A 6 3.602 -2.497 2.811 1.00 40.02 H new ATOM 0 HD12 LEU A 6 2.226 -1.676 2.037 1.00 40.02 H new ATOM 0 HD13 LEU A 6 3.674 -0.748 2.493 1.00 40.02 H new ATOM 0 HD21 LEU A 6 4.067 -2.202 5.231 1.00 24.51 H new ATOM 0 HD22 LEU A 6 4.177 -0.433 5.076 1.00 24.51 H new ATOM 0 HD23 LEU A 6 3.031 -1.155 6.230 1.00 24.51 H new ATOM 103 N VAL A 7 -1.433 -1.505 2.552 1.00 53.04 N ATOM 104 CA VAL A 7 -2.479 -2.523 2.730 1.00 22.24 C ATOM 105 C VAL A 7 -1.828 -3.907 2.903 1.00 21.22 C ATOM 106 O VAL A 7 -1.244 -4.465 1.958 1.00 73.21 O ATOM 107 CB VAL A 7 -3.488 -2.543 1.516 1.00 32.34 C ATOM 108 CG1 VAL A 7 -4.581 -3.630 1.690 1.00 31.44 C ATOM 109 CG2 VAL A 7 -4.121 -1.150 1.304 1.00 34.33 C ATOM 0 H VAL A 7 -1.285 -1.241 1.578 1.00 53.04 H new ATOM 0 HA VAL A 7 -3.049 -2.271 3.624 1.00 22.24 H new ATOM 0 HB VAL A 7 -2.918 -2.800 0.623 1.00 32.34 H new ATOM 0 HG11 VAL A 7 -5.254 -3.610 0.833 1.00 31.44 H new ATOM 0 HG12 VAL A 7 -4.111 -4.611 1.759 1.00 31.44 H new ATOM 0 HG13 VAL A 7 -5.147 -3.434 2.601 1.00 31.44 H new ATOM 0 HG21 VAL A 7 -4.812 -1.189 0.462 1.00 34.33 H new ATOM 0 HG22 VAL A 7 -4.661 -0.855 2.204 1.00 34.33 H new ATOM 0 HG23 VAL A 7 -3.337 -0.422 1.096 1.00 34.33 H new ATOM 119 N ILE A 8 -1.892 -4.411 4.142 1.00 1.21 N ATOM 120 CA ILE A 8 -1.386 -5.728 4.534 1.00 10.14 C ATOM 121 C ILE A 8 -2.569 -6.664 4.847 1.00 54.53 C ATOM 122 O ILE A 8 -3.464 -6.306 5.626 1.00 22.23 O ATOM 123 CB ILE A 8 -0.452 -5.633 5.809 1.00 15.15 C ATOM 124 CG1 ILE A 8 0.692 -4.585 5.587 1.00 74.22 C ATOM 125 CG2 ILE A 8 0.113 -7.029 6.193 1.00 11.12 C ATOM 126 CD1 ILE A 8 1.766 -4.549 6.659 1.00 5.21 C ATOM 0 H ILE A 8 -2.309 -3.898 4.919 1.00 1.21 H new ATOM 0 HA ILE A 8 -0.799 -6.122 3.704 1.00 10.14 H new ATOM 0 HB ILE A 8 -1.056 -5.286 6.648 1.00 15.15 H new ATOM 0 HG12 ILE A 8 1.168 -4.791 4.628 1.00 74.22 H new ATOM 0 HG13 ILE A 8 0.243 -3.594 5.514 1.00 74.22 H new ATOM 0 HG21 ILE A 8 0.751 -6.934 7.072 1.00 11.12 H new ATOM 0 HG22 ILE A 8 -0.711 -7.707 6.414 1.00 11.12 H new ATOM 0 HG23 ILE A 8 0.696 -7.426 5.362 1.00 11.12 H new ATOM 0 HD11 ILE A 8 2.507 -3.790 6.407 1.00 5.21 H new ATOM 0 HD12 ILE A 8 1.313 -4.308 7.620 1.00 5.21 H new ATOM 0 HD13 ILE A 8 2.251 -5.523 6.721 1.00 5.21 H new ATOM 138 N SER A 9 -2.575 -7.845 4.214 1.00 70.54 N ATOM 139 CA SER A 9 -3.449 -8.970 4.587 1.00 33.43 C ATOM 140 C SER A 9 -2.631 -10.263 4.502 1.00 42.31 C ATOM 141 O SER A 9 -1.579 -10.302 3.838 1.00 51.12 O ATOM 142 CB SER A 9 -4.687 -9.064 3.652 1.00 15.01 C ATOM 143 OG SER A 9 -5.307 -7.803 3.464 1.00 23.20 O ATOM 0 H SER A 9 -1.968 -8.050 3.420 1.00 70.54 H new ATOM 0 HA SER A 9 -3.817 -8.814 5.601 1.00 33.43 H new ATOM 0 HB2 SER A 9 -4.382 -9.466 2.686 1.00 15.01 H new ATOM 0 HB3 SER A 9 -5.408 -9.763 4.075 1.00 15.01 H new ATOM 0 HG SER A 9 -5.709 -7.507 4.307 1.00 23.20 H new ATOM 149 N THR A 10 -3.109 -11.307 5.184 1.00 54.54 N ATOM 150 CA THR A 10 -2.524 -12.645 5.096 1.00 63.44 C ATOM 151 C THR A 10 -2.850 -13.256 3.715 1.00 34.23 C ATOM 152 O THR A 10 -1.953 -13.686 2.979 1.00 64.40 O ATOM 153 CB THR A 10 -3.076 -13.556 6.243 1.00 1.12 C ATOM 154 OG1 THR A 10 -4.507 -13.615 6.166 1.00 12.41 O ATOM 155 CG2 THR A 10 -2.687 -13.036 7.639 1.00 44.03 C ATOM 0 H THR A 10 -3.911 -11.248 5.811 1.00 54.54 H new ATOM 0 HA THR A 10 -1.442 -12.574 5.209 1.00 63.44 H new ATOM 0 HB THR A 10 -2.635 -14.544 6.108 1.00 1.12 H new ATOM 0 HG1 THR A 10 -4.850 -14.187 6.884 1.00 12.41 H new ATOM 0 HG21 THR A 10 -3.093 -13.701 8.401 1.00 44.03 H new ATOM 0 HG22 THR A 10 -1.601 -13.004 7.726 1.00 44.03 H new ATOM 0 HG23 THR A 10 -3.091 -12.034 7.780 1.00 44.03 H new ATOM 163 N ASP A 11 -4.150 -13.228 3.369 1.00 45.21 N ATOM 164 CA ASP A 11 -4.687 -13.852 2.148 1.00 24.04 C ATOM 165 C ASP A 11 -4.430 -12.956 0.928 1.00 22.13 C ATOM 166 O ASP A 11 -4.919 -11.820 0.887 1.00 15.03 O ATOM 167 CB ASP A 11 -6.212 -14.092 2.298 1.00 24.34 C ATOM 168 CG ASP A 11 -6.571 -14.849 3.582 1.00 3.42 C ATOM 169 OD1 ASP A 11 -6.495 -16.096 3.592 1.00 54.20 O ATOM 170 OD2 ASP A 11 -6.911 -14.196 4.596 1.00 62.14 O ATOM 0 H ASP A 11 -4.863 -12.767 3.935 1.00 45.21 H new ATOM 0 HA ASP A 11 -4.182 -14.807 2.001 1.00 24.04 H new ATOM 0 HB2 ASP A 11 -6.729 -13.132 2.291 1.00 24.34 H new ATOM 0 HB3 ASP A 11 -6.573 -14.655 1.437 1.00 24.34 H new ATOM 175 N THR A 12 -3.678 -13.482 -0.059 1.00 71.24 N ATOM 176 CA THR A 12 -3.430 -12.801 -1.341 1.00 1.14 C ATOM 177 C THR A 12 -4.728 -12.638 -2.138 1.00 44.03 C ATOM 178 O THR A 12 -4.842 -11.726 -2.932 1.00 74.20 O ATOM 179 CB THR A 12 -2.389 -13.582 -2.213 1.00 53.35 C ATOM 180 OG1 THR A 12 -2.793 -14.958 -2.355 1.00 64.03 O ATOM 181 CG2 THR A 12 -0.978 -13.511 -1.617 1.00 4.32 C ATOM 0 H THR A 12 -3.225 -14.393 0.013 1.00 71.24 H new ATOM 0 HA THR A 12 -3.026 -11.817 -1.103 1.00 1.14 H new ATOM 0 HB THR A 12 -2.360 -13.107 -3.194 1.00 53.35 H new ATOM 0 HG1 THR A 12 -2.137 -15.437 -2.903 1.00 64.03 H new ATOM 0 HG21 THR A 12 -0.287 -14.065 -2.252 1.00 4.32 H new ATOM 0 HG22 THR A 12 -0.660 -12.470 -1.557 1.00 4.32 H new ATOM 0 HG23 THR A 12 -0.983 -13.947 -0.618 1.00 4.32 H new ATOM 189 N ASN A 13 -5.695 -13.544 -1.907 1.00 60.25 N ATOM 190 CA ASN A 13 -6.991 -13.548 -2.609 1.00 13.44 C ATOM 191 C ASN A 13 -7.808 -12.293 -2.267 1.00 61.14 C ATOM 192 O ASN A 13 -8.392 -11.669 -3.158 1.00 42.55 O ATOM 193 CB ASN A 13 -7.789 -14.830 -2.257 1.00 35.23 C ATOM 194 CG ASN A 13 -7.032 -16.145 -2.525 1.00 54.24 C ATOM 195 OD1 ASN A 13 -7.228 -17.136 -1.820 1.00 31.32 O ATOM 196 ND2 ASN A 13 -6.179 -16.183 -3.549 1.00 45.11 N ATOM 0 H ASN A 13 -5.599 -14.297 -1.226 1.00 60.25 H new ATOM 0 HA ASN A 13 -6.797 -13.540 -3.682 1.00 13.44 H new ATOM 0 HB2 ASN A 13 -8.066 -14.793 -1.203 1.00 35.23 H new ATOM 0 HB3 ASN A 13 -8.716 -14.835 -2.831 1.00 35.23 H new ATOM 0 HD21 ASN A 13 -5.674 -17.044 -3.761 1.00 45.11 H new ATOM 0 HD22 ASN A 13 -6.031 -15.351 -4.121 1.00 45.11 H new ATOM 203 N ILE A 14 -7.809 -11.921 -0.967 1.00 41.54 N ATOM 204 CA ILE A 14 -8.470 -10.695 -0.471 1.00 13.00 C ATOM 205 C ILE A 14 -7.797 -9.452 -1.093 1.00 71.53 C ATOM 206 O ILE A 14 -8.475 -8.576 -1.632 1.00 74.20 O ATOM 207 CB ILE A 14 -8.413 -10.607 1.106 1.00 1.22 C ATOM 208 CG1 ILE A 14 -9.129 -11.830 1.775 1.00 25.05 C ATOM 209 CG2 ILE A 14 -9.000 -9.270 1.627 1.00 23.40 C ATOM 210 CD1 ILE A 14 -10.617 -11.967 1.475 1.00 61.22 C ATOM 0 H ILE A 14 -7.352 -12.463 -0.234 1.00 41.54 H new ATOM 0 HA ILE A 14 -9.518 -10.731 -0.767 1.00 13.00 H new ATOM 0 HB ILE A 14 -7.361 -10.639 1.389 1.00 1.22 H new ATOM 0 HG12 ILE A 14 -8.626 -12.742 1.454 1.00 25.05 H new ATOM 0 HG13 ILE A 14 -9.000 -11.758 2.855 1.00 25.05 H new ATOM 0 HG21 ILE A 14 -8.943 -9.247 2.715 1.00 23.40 H new ATOM 0 HG22 ILE A 14 -8.429 -8.437 1.216 1.00 23.40 H new ATOM 0 HG23 ILE A 14 -10.041 -9.184 1.316 1.00 23.40 H new ATOM 0 HD11 ILE A 14 -11.012 -12.845 1.987 1.00 61.22 H new ATOM 0 HD12 ILE A 14 -11.142 -11.077 1.823 1.00 61.22 H new ATOM 0 HD13 ILE A 14 -10.763 -12.077 0.400 1.00 61.22 H new ATOM 222 N ILE A 15 -6.448 -9.441 -1.043 1.00 13.41 N ATOM 223 CA ILE A 15 -5.610 -8.336 -1.546 1.00 11.03 C ATOM 224 C ILE A 15 -5.822 -8.123 -3.048 1.00 43.01 C ATOM 225 O ILE A 15 -6.012 -7.003 -3.481 1.00 42.11 O ATOM 226 CB ILE A 15 -4.090 -8.615 -1.260 1.00 15.11 C ATOM 227 CG1 ILE A 15 -3.867 -8.767 0.265 1.00 44.51 C ATOM 228 CG2 ILE A 15 -3.171 -7.512 -1.846 1.00 74.21 C ATOM 229 CD1 ILE A 15 -2.485 -9.221 0.667 1.00 33.23 C ATOM 0 H ILE A 15 -5.906 -10.209 -0.647 1.00 13.41 H new ATOM 0 HA ILE A 15 -5.910 -7.430 -1.019 1.00 11.03 H new ATOM 0 HB ILE A 15 -3.819 -9.545 -1.760 1.00 15.11 H new ATOM 0 HG12 ILE A 15 -4.072 -7.809 0.744 1.00 44.51 H new ATOM 0 HG13 ILE A 15 -4.594 -9.480 0.654 1.00 44.51 H new ATOM 0 HG21 ILE A 15 -2.131 -7.749 -1.623 1.00 74.21 H new ATOM 0 HG22 ILE A 15 -3.308 -7.460 -2.926 1.00 74.21 H new ATOM 0 HG23 ILE A 15 -3.428 -6.550 -1.401 1.00 74.21 H new ATOM 0 HD11 ILE A 15 -2.429 -9.297 1.753 1.00 33.23 H new ATOM 0 HD12 ILE A 15 -2.279 -10.195 0.224 1.00 33.23 H new ATOM 0 HD13 ILE A 15 -1.748 -8.499 0.315 1.00 33.23 H new ATOM 241 N SER A 16 -5.826 -9.230 -3.811 1.00 42.32 N ATOM 242 CA SER A 16 -5.919 -9.214 -5.274 1.00 71.42 C ATOM 243 C SER A 16 -7.310 -8.758 -5.728 1.00 14.11 C ATOM 244 O SER A 16 -7.426 -8.047 -6.726 1.00 12.44 O ATOM 245 CB SER A 16 -5.585 -10.609 -5.839 1.00 71.51 C ATOM 246 OG SER A 16 -4.267 -11.004 -5.485 1.00 31.24 O ATOM 0 H SER A 16 -5.764 -10.170 -3.420 1.00 42.32 H new ATOM 0 HA SER A 16 -5.193 -8.499 -5.662 1.00 71.42 H new ATOM 0 HB2 SER A 16 -6.300 -11.339 -5.460 1.00 71.51 H new ATOM 0 HB3 SER A 16 -5.685 -10.598 -6.924 1.00 71.51 H new ATOM 0 HG SER A 16 -4.266 -11.356 -4.571 1.00 31.24 H new ATOM 252 N SER A 17 -8.360 -9.165 -4.974 1.00 15.32 N ATOM 253 CA SER A 17 -9.732 -8.693 -5.211 1.00 14.30 C ATOM 254 C SER A 17 -9.782 -7.165 -5.079 1.00 32.53 C ATOM 255 O SER A 17 -10.015 -6.467 -6.061 1.00 43.31 O ATOM 256 CB SER A 17 -10.730 -9.351 -4.226 1.00 1.35 C ATOM 257 OG SER A 17 -10.766 -10.753 -4.403 1.00 34.20 O ATOM 0 H SER A 17 -8.275 -9.820 -4.197 1.00 15.32 H new ATOM 0 HA SER A 17 -10.025 -8.979 -6.221 1.00 14.30 H new ATOM 0 HB2 SER A 17 -10.442 -9.117 -3.201 1.00 1.35 H new ATOM 0 HB3 SER A 17 -11.726 -8.936 -4.380 1.00 1.35 H new ATOM 0 HG SER A 17 -9.977 -11.156 -3.984 1.00 34.20 H new ATOM 263 N VAL A 18 -9.438 -6.676 -3.877 1.00 12.21 N ATOM 264 CA VAL A 18 -9.500 -5.249 -3.527 1.00 52.23 C ATOM 265 C VAL A 18 -8.603 -4.399 -4.445 1.00 54.21 C ATOM 266 O VAL A 18 -9.004 -3.325 -4.860 1.00 1.01 O ATOM 267 CB VAL A 18 -9.084 -5.021 -2.030 1.00 73.33 C ATOM 268 CG1 VAL A 18 -9.068 -3.517 -1.663 1.00 34.12 C ATOM 269 CG2 VAL A 18 -10.008 -5.817 -1.082 1.00 4.24 C ATOM 0 H VAL A 18 -9.106 -7.266 -3.114 1.00 12.21 H new ATOM 0 HA VAL A 18 -10.534 -4.932 -3.665 1.00 52.23 H new ATOM 0 HB VAL A 18 -8.066 -5.392 -1.908 1.00 73.33 H new ATOM 0 HG11 VAL A 18 -8.776 -3.400 -0.619 1.00 34.12 H new ATOM 0 HG12 VAL A 18 -8.355 -2.995 -2.300 1.00 34.12 H new ATOM 0 HG13 VAL A 18 -10.063 -3.096 -1.810 1.00 34.12 H new ATOM 0 HG21 VAL A 18 -9.704 -5.646 -0.049 1.00 4.24 H new ATOM 0 HG22 VAL A 18 -11.038 -5.487 -1.216 1.00 4.24 H new ATOM 0 HG23 VAL A 18 -9.935 -6.880 -1.311 1.00 4.24 H new ATOM 279 N GLN A 19 -7.417 -4.932 -4.776 1.00 12.41 N ATOM 280 CA GLN A 19 -6.384 -4.224 -5.554 1.00 21.10 C ATOM 281 C GLN A 19 -6.867 -3.945 -6.975 1.00 24.50 C ATOM 282 O GLN A 19 -6.899 -2.794 -7.401 1.00 54.42 O ATOM 283 CB GLN A 19 -5.083 -5.061 -5.594 1.00 73.14 C ATOM 284 CG GLN A 19 -3.921 -4.442 -6.391 1.00 21.15 C ATOM 285 CD GLN A 19 -2.680 -5.332 -6.458 1.00 23.21 C ATOM 286 OE1 GLN A 19 -1.969 -5.333 -7.460 1.00 12.52 O ATOM 287 NE2 GLN A 19 -2.378 -6.070 -5.391 1.00 51.44 N ATOM 0 H GLN A 19 -7.143 -5.878 -4.509 1.00 12.41 H new ATOM 0 HA GLN A 19 -6.183 -3.270 -5.066 1.00 21.10 H new ATOM 0 HB2 GLN A 19 -4.749 -5.230 -4.570 1.00 73.14 H new ATOM 0 HB3 GLN A 19 -5.313 -6.038 -6.020 1.00 73.14 H new ATOM 0 HG2 GLN A 19 -4.260 -4.229 -7.405 1.00 21.15 H new ATOM 0 HG3 GLN A 19 -3.649 -3.488 -5.939 1.00 21.15 H new ATOM 0 HE21 GLN A 19 -2.984 -6.052 -4.571 1.00 51.44 H new ATOM 0 HE22 GLN A 19 -1.541 -6.653 -5.394 1.00 51.44 H new ATOM 296 N GLU A 20 -7.270 -5.018 -7.678 1.00 3.44 N ATOM 297 CA GLU A 20 -7.708 -4.946 -9.081 1.00 43.30 C ATOM 298 C GLU A 20 -9.008 -4.139 -9.206 1.00 63.23 C ATOM 299 O GLU A 20 -9.162 -3.338 -10.137 1.00 31.42 O ATOM 300 CB GLU A 20 -7.894 -6.369 -9.653 1.00 73.31 C ATOM 301 CG GLU A 20 -6.613 -7.229 -9.652 1.00 12.52 C ATOM 302 CD GLU A 20 -6.836 -8.650 -10.202 1.00 62.02 C ATOM 303 OE1 GLU A 20 -7.787 -9.325 -9.751 1.00 64.41 O ATOM 304 OE2 GLU A 20 -6.059 -9.104 -11.075 1.00 41.34 O ATOM 0 H GLU A 20 -7.301 -5.960 -7.288 1.00 3.44 H new ATOM 0 HA GLU A 20 -6.938 -4.435 -9.658 1.00 43.30 H new ATOM 0 HB2 GLU A 20 -8.662 -6.882 -9.075 1.00 73.31 H new ATOM 0 HB3 GLU A 20 -8.264 -6.291 -10.675 1.00 73.31 H new ATOM 0 HG2 GLU A 20 -5.849 -6.731 -10.249 1.00 12.52 H new ATOM 0 HG3 GLU A 20 -6.229 -7.296 -8.634 1.00 12.52 H new ATOM 311 N ARG A 21 -9.927 -4.354 -8.235 1.00 53.22 N ATOM 312 CA ARG A 21 -11.186 -3.590 -8.137 1.00 22.51 C ATOM 313 C ARG A 21 -10.883 -2.107 -7.905 1.00 3.22 C ATOM 314 O ARG A 21 -11.527 -1.271 -8.488 1.00 12.22 O ATOM 315 CB ARG A 21 -12.098 -4.109 -6.986 1.00 72.41 C ATOM 316 CG ARG A 21 -12.674 -5.530 -7.183 1.00 74.24 C ATOM 317 CD ARG A 21 -13.498 -5.987 -5.963 1.00 63.12 C ATOM 318 NE ARG A 21 -13.852 -7.417 -6.009 1.00 11.10 N ATOM 319 CZ ARG A 21 -14.461 -8.092 -5.016 1.00 60.11 C ATOM 320 NH1 ARG A 21 -14.818 -7.479 -3.880 1.00 11.11 N ATOM 321 NH2 ARG A 21 -14.701 -9.385 -5.158 1.00 12.33 N ATOM 0 H ARG A 21 -9.815 -5.057 -7.505 1.00 53.22 H new ATOM 0 HA ARG A 21 -11.718 -3.724 -9.079 1.00 22.51 H new ATOM 0 HB2 ARG A 21 -11.527 -4.093 -6.058 1.00 72.41 H new ATOM 0 HB3 ARG A 21 -12.928 -3.413 -6.862 1.00 72.41 H new ATOM 0 HG2 ARG A 21 -13.302 -5.547 -8.073 1.00 74.24 H new ATOM 0 HG3 ARG A 21 -11.858 -6.232 -7.355 1.00 74.24 H new ATOM 0 HD2 ARG A 21 -12.931 -5.788 -5.054 1.00 63.12 H new ATOM 0 HD3 ARG A 21 -14.411 -5.394 -5.906 1.00 63.12 H new ATOM 0 HE ARG A 21 -13.618 -7.934 -6.857 1.00 11.10 H new ATOM 0 HH11 ARG A 21 -14.629 -6.484 -3.756 1.00 11.11 H new ATOM 0 HH12 ARG A 21 -15.279 -8.007 -3.139 1.00 11.11 H new ATOM 0 HH21 ARG A 21 -14.425 -9.864 -6.015 1.00 12.33 H new ATOM 0 HH22 ARG A 21 -15.162 -9.903 -4.410 1.00 12.33 H new ATOM 335 N ALA A 22 -9.879 -1.810 -7.057 1.00 31.32 N ATOM 336 CA ALA A 22 -9.493 -0.425 -6.702 1.00 15.15 C ATOM 337 C ALA A 22 -8.863 0.294 -7.901 1.00 42.14 C ATOM 338 O ALA A 22 -9.108 1.477 -8.125 1.00 41.13 O ATOM 339 CB ALA A 22 -8.524 -0.409 -5.504 1.00 14.15 C ATOM 0 H ALA A 22 -9.311 -2.522 -6.597 1.00 31.32 H new ATOM 0 HA ALA A 22 -10.401 0.106 -6.417 1.00 15.15 H new ATOM 0 HB1 ALA A 22 -8.257 0.621 -5.265 1.00 14.15 H new ATOM 0 HB2 ALA A 22 -9.005 -0.869 -4.641 1.00 14.15 H new ATOM 0 HB3 ALA A 22 -7.623 -0.968 -5.757 1.00 14.15 H new ATOM 345 N LYS A 23 -8.049 -0.449 -8.656 1.00 0.34 N ATOM 346 CA LYS A 23 -7.366 0.053 -9.859 1.00 63.25 C ATOM 347 C LYS A 23 -8.384 0.311 -10.996 1.00 61.30 C ATOM 348 O LYS A 23 -8.156 1.155 -11.869 1.00 34.11 O ATOM 349 CB LYS A 23 -6.278 -0.970 -10.302 1.00 30.14 C ATOM 350 CG LYS A 23 -5.066 -1.091 -9.340 1.00 12.20 C ATOM 351 CD LYS A 23 -4.085 -2.255 -9.685 1.00 62.02 C ATOM 352 CE LYS A 23 -3.219 -2.024 -10.944 1.00 63.53 C ATOM 353 NZ LYS A 23 -3.991 -2.067 -12.221 1.00 14.53 N ATOM 0 H LYS A 23 -7.841 -1.426 -8.450 1.00 0.34 H new ATOM 0 HA LYS A 23 -6.882 1.002 -9.629 1.00 63.25 H new ATOM 0 HB2 LYS A 23 -6.742 -1.951 -10.404 1.00 30.14 H new ATOM 0 HB3 LYS A 23 -5.913 -0.686 -11.289 1.00 30.14 H new ATOM 0 HG2 LYS A 23 -4.514 -0.151 -9.350 1.00 12.20 H new ATOM 0 HG3 LYS A 23 -5.436 -1.232 -8.324 1.00 12.20 H new ATOM 0 HD2 LYS A 23 -3.425 -2.419 -8.833 1.00 62.02 H new ATOM 0 HD3 LYS A 23 -4.663 -3.169 -9.822 1.00 62.02 H new ATOM 0 HE2 LYS A 23 -2.725 -1.056 -10.861 1.00 63.53 H new ATOM 0 HE3 LYS A 23 -2.435 -2.780 -10.978 1.00 63.53 H new ATOM 0 HZ1 LYS A 23 -3.429 -2.550 -12.950 1.00 14.53 H new ATOM 0 HZ2 LYS A 23 -4.881 -2.584 -12.071 1.00 14.53 H new ATOM 0 HZ3 LYS A 23 -4.202 -1.097 -12.532 1.00 14.53 H new ATOM 367 N HIS A 24 -9.498 -0.439 -10.965 1.00 31.41 N ATOM 368 CA HIS A 24 -10.612 -0.317 -11.927 1.00 30.25 C ATOM 369 C HIS A 24 -11.644 0.750 -11.468 1.00 64.42 C ATOM 370 O HIS A 24 -12.198 1.475 -12.291 1.00 54.44 O ATOM 371 CB HIS A 24 -11.288 -1.708 -12.097 1.00 71.04 C ATOM 372 CG HIS A 24 -12.455 -1.738 -13.060 1.00 4.50 C ATOM 373 ND1 HIS A 24 -12.310 -1.944 -14.417 1.00 70.33 N ATOM 374 CD2 HIS A 24 -13.791 -1.593 -12.852 1.00 20.31 C ATOM 375 CE1 HIS A 24 -13.497 -1.922 -14.995 1.00 44.42 C ATOM 376 NE2 HIS A 24 -14.407 -1.708 -14.070 1.00 44.12 N ATOM 0 H HIS A 24 -9.655 -1.160 -10.260 1.00 31.41 H new ATOM 0 HA HIS A 24 -10.217 0.015 -12.887 1.00 30.25 H new ATOM 0 HB2 HIS A 24 -10.537 -2.421 -12.437 1.00 71.04 H new ATOM 0 HB3 HIS A 24 -11.633 -2.049 -11.121 1.00 71.04 H new ATOM 0 HD2 HIS A 24 -14.276 -1.419 -11.903 1.00 20.31 H new ATOM 0 HE1 HIS A 24 -13.688 -2.057 -16.049 1.00 44.42 H new ATOM 0 HE2 HIS A 24 -15.411 -1.639 -14.234 1.00 44.12 H new ATOM 385 N ASN A 25 -11.876 0.837 -10.148 1.00 12.51 N ATOM 386 CA ASN A 25 -12.983 1.642 -9.557 1.00 54.21 C ATOM 387 C ASN A 25 -12.515 3.077 -9.280 1.00 24.03 C ATOM 388 O ASN A 25 -13.315 4.018 -9.277 1.00 40.40 O ATOM 389 CB ASN A 25 -13.498 0.966 -8.252 1.00 60.22 C ATOM 390 CG ASN A 25 -14.832 1.509 -7.731 1.00 71.30 C ATOM 391 OD1 ASN A 25 -15.688 1.955 -8.501 1.00 3.32 O ATOM 392 ND2 ASN A 25 -15.028 1.456 -6.420 1.00 11.11 N ATOM 0 H ASN A 25 -11.307 0.355 -9.452 1.00 12.51 H new ATOM 0 HA ASN A 25 -13.806 1.687 -10.271 1.00 54.21 H new ATOM 0 HB2 ASN A 25 -13.602 -0.104 -8.431 1.00 60.22 H new ATOM 0 HB3 ASN A 25 -12.744 1.087 -7.475 1.00 60.22 H new ATOM 0 HD21 ASN A 25 -15.906 1.789 -6.022 1.00 11.11 H new ATOM 0 HD22 ASN A 25 -14.301 1.082 -5.810 1.00 11.11 H new ATOM 399 N TYR A 26 -11.199 3.236 -9.043 1.00 40.13 N ATOM 400 CA TYR A 26 -10.545 4.553 -8.882 1.00 41.13 C ATOM 401 C TYR A 26 -9.345 4.635 -9.876 1.00 2.31 C ATOM 402 O TYR A 26 -8.192 4.774 -9.446 1.00 33.42 O ATOM 403 CB TYR A 26 -10.078 4.782 -7.388 1.00 13.44 C ATOM 404 CG TYR A 26 -10.890 4.012 -6.315 1.00 73.53 C ATOM 405 CD1 TYR A 26 -12.220 4.333 -6.019 1.00 10.15 C ATOM 406 CD2 TYR A 26 -10.325 2.936 -5.630 1.00 64.40 C ATOM 407 CE1 TYR A 26 -12.942 3.599 -5.091 1.00 73.31 C ATOM 408 CE2 TYR A 26 -11.042 2.215 -4.702 1.00 61.02 C ATOM 409 CZ TYR A 26 -12.344 2.542 -4.439 1.00 70.41 C ATOM 410 OH TYR A 26 -13.059 1.792 -3.532 1.00 32.22 O ATOM 0 H TYR A 26 -10.554 2.451 -8.957 1.00 40.13 H new ATOM 0 HA TYR A 26 -11.257 5.346 -9.109 1.00 41.13 H new ATOM 0 HB2 TYR A 26 -9.030 4.493 -7.304 1.00 13.44 H new ATOM 0 HB3 TYR A 26 -10.134 5.848 -7.167 1.00 13.44 H new ATOM 0 HD1 TYR A 26 -12.691 5.165 -6.521 1.00 10.15 H new ATOM 0 HD2 TYR A 26 -9.300 2.662 -5.833 1.00 64.40 H new ATOM 0 HE1 TYR A 26 -13.970 3.854 -4.879 1.00 73.31 H new ATOM 0 HE2 TYR A 26 -10.577 1.391 -4.182 1.00 61.02 H new ATOM 0 HH TYR A 26 -12.526 1.666 -2.719 1.00 32.22 H new ATOM 420 N PRO A 27 -9.599 4.567 -11.235 1.00 62.44 N ATOM 421 CA PRO A 27 -8.513 4.431 -12.248 1.00 63.13 C ATOM 422 C PRO A 27 -7.746 5.749 -12.494 1.00 24.34 C ATOM 423 O PRO A 27 -6.642 5.739 -13.057 1.00 31.41 O ATOM 424 CB PRO A 27 -9.281 3.955 -13.510 1.00 43.15 C ATOM 425 CG PRO A 27 -10.643 4.573 -13.387 1.00 3.31 C ATOM 426 CD PRO A 27 -10.944 4.637 -11.895 1.00 24.21 C ATOM 0 HA PRO A 27 -7.729 3.743 -11.932 1.00 63.13 H new ATOM 0 HB2 PRO A 27 -8.781 4.279 -14.423 1.00 43.15 H new ATOM 0 HB3 PRO A 27 -9.342 2.867 -13.549 1.00 43.15 H new ATOM 0 HG2 PRO A 27 -10.661 5.568 -13.831 1.00 3.31 H new ATOM 0 HG3 PRO A 27 -11.390 3.977 -13.910 1.00 3.31 H new ATOM 0 HD2 PRO A 27 -11.466 5.558 -11.635 1.00 24.21 H new ATOM 0 HD3 PRO A 27 -11.582 3.810 -11.583 1.00 24.21 H new ATOM 434 N GLY A 28 -8.355 6.878 -12.076 1.00 12.24 N ATOM 435 CA GLY A 28 -7.731 8.198 -12.176 1.00 63.01 C ATOM 436 C GLY A 28 -6.738 8.472 -11.053 1.00 3.41 C ATOM 437 O GLY A 28 -5.860 9.331 -11.195 1.00 72.23 O ATOM 0 H GLY A 28 -9.288 6.892 -11.663 1.00 12.24 H new ATOM 0 HA2 GLY A 28 -7.219 8.280 -13.135 1.00 63.01 H new ATOM 0 HA3 GLY A 28 -8.507 8.963 -12.162 1.00 63.01 H new ATOM 441 N ARG A 29 -6.889 7.748 -9.932 1.00 34.15 N ATOM 442 CA ARG A 29 -6.001 7.871 -8.752 1.00 25.30 C ATOM 443 C ARG A 29 -4.814 6.908 -8.864 1.00 54.21 C ATOM 444 O ARG A 29 -4.815 6.004 -9.703 1.00 44.33 O ATOM 445 CB ARG A 29 -6.792 7.625 -7.430 1.00 15.24 C ATOM 446 CG ARG A 29 -7.539 8.859 -6.871 1.00 54.03 C ATOM 447 CD ARG A 29 -8.552 9.465 -7.850 1.00 75.42 C ATOM 448 NE ARG A 29 -9.589 8.491 -8.255 1.00 1.44 N ATOM 449 CZ ARG A 29 -10.330 8.572 -9.378 1.00 11.43 C ATOM 450 NH1 ARG A 29 -10.156 9.570 -10.235 1.00 42.42 N ATOM 451 NH2 ARG A 29 -11.272 7.676 -9.627 1.00 52.40 N ATOM 0 H ARG A 29 -7.630 7.058 -9.813 1.00 34.15 H new ATOM 0 HA ARG A 29 -5.612 8.889 -8.726 1.00 25.30 H new ATOM 0 HB2 ARG A 29 -7.516 6.829 -7.601 1.00 15.24 H new ATOM 0 HB3 ARG A 29 -6.097 7.266 -6.671 1.00 15.24 H new ATOM 0 HG2 ARG A 29 -8.058 8.574 -5.956 1.00 54.03 H new ATOM 0 HG3 ARG A 29 -6.809 9.622 -6.599 1.00 54.03 H new ATOM 0 HD2 ARG A 29 -9.029 10.330 -7.388 1.00 75.42 H new ATOM 0 HD3 ARG A 29 -8.028 9.825 -8.736 1.00 75.42 H new ATOM 0 HE ARG A 29 -9.756 7.697 -7.637 1.00 1.44 H new ATOM 0 HH11 ARG A 29 -9.455 10.287 -10.047 1.00 42.42 H new ATOM 0 HH12 ARG A 29 -10.723 9.620 -11.081 1.00 42.42 H new ATOM 0 HH21 ARG A 29 -11.441 6.917 -8.967 1.00 52.40 H new ATOM 0 HH22 ARG A 29 -11.828 7.744 -10.479 1.00 52.40 H new ATOM 465 N GLU A 30 -3.814 7.115 -7.989 1.00 23.41 N ATOM 466 CA GLU A 30 -2.524 6.414 -8.045 1.00 42.02 C ATOM 467 C GLU A 30 -2.450 5.292 -6.995 1.00 52.12 C ATOM 468 O GLU A 30 -2.630 5.531 -5.795 1.00 13.44 O ATOM 469 CB GLU A 30 -1.393 7.448 -7.841 1.00 43.43 C ATOM 470 CG GLU A 30 -1.321 8.525 -8.935 1.00 31.41 C ATOM 471 CD GLU A 30 -1.177 7.936 -10.350 1.00 50.03 C ATOM 472 OE1 GLU A 30 -0.128 7.308 -10.636 1.00 11.12 O ATOM 473 OE2 GLU A 30 -2.106 8.082 -11.177 1.00 42.04 O ATOM 0 H GLU A 30 -3.881 7.779 -7.218 1.00 23.41 H new ATOM 0 HA GLU A 30 -2.412 5.938 -9.019 1.00 42.02 H new ATOM 0 HB2 GLU A 30 -1.531 7.935 -6.876 1.00 43.43 H new ATOM 0 HB3 GLU A 30 -0.439 6.923 -7.800 1.00 43.43 H new ATOM 0 HG2 GLU A 30 -2.221 9.139 -8.893 1.00 31.41 H new ATOM 0 HG3 GLU A 30 -0.476 9.184 -8.734 1.00 31.41 H new ATOM 480 N ILE A 31 -2.165 4.063 -7.473 1.00 21.13 N ATOM 481 CA ILE A 31 -2.121 2.832 -6.655 1.00 54.22 C ATOM 482 C ILE A 31 -0.830 2.046 -6.989 1.00 72.14 C ATOM 483 O ILE A 31 -0.295 2.162 -8.100 1.00 21.03 O ATOM 484 CB ILE A 31 -3.409 1.944 -6.922 1.00 31.42 C ATOM 485 CG1 ILE A 31 -4.697 2.729 -6.501 1.00 42.32 C ATOM 486 CG2 ILE A 31 -3.340 0.566 -6.209 1.00 52.45 C ATOM 487 CD1 ILE A 31 -6.001 2.008 -6.760 1.00 3.40 C ATOM 0 H ILE A 31 -1.955 3.895 -8.457 1.00 21.13 H new ATOM 0 HA ILE A 31 -2.113 3.097 -5.598 1.00 54.22 H new ATOM 0 HB ILE A 31 -3.449 1.737 -7.991 1.00 31.42 H new ATOM 0 HG12 ILE A 31 -4.632 2.959 -5.438 1.00 42.32 H new ATOM 0 HG13 ILE A 31 -4.714 3.680 -7.033 1.00 42.32 H new ATOM 0 HG21 ILE A 31 -4.246 -0.001 -6.425 1.00 52.45 H new ATOM 0 HG22 ILE A 31 -2.472 0.014 -6.568 1.00 52.45 H new ATOM 0 HG23 ILE A 31 -3.254 0.717 -5.133 1.00 52.45 H new ATOM 0 HD11 ILE A 31 -6.833 2.633 -6.435 1.00 3.40 H new ATOM 0 HD12 ILE A 31 -6.097 1.802 -7.826 1.00 3.40 H new ATOM 0 HD13 ILE A 31 -6.014 1.069 -6.206 1.00 3.40 H new ATOM 499 N ARG A 32 -0.325 1.270 -6.010 1.00 64.53 N ATOM 500 CA ARG A 32 0.911 0.472 -6.135 1.00 75.43 C ATOM 501 C ARG A 32 0.711 -0.963 -5.616 1.00 11.21 C ATOM 502 O ARG A 32 -0.363 -1.334 -5.126 1.00 32.12 O ATOM 503 CB ARG A 32 2.070 1.146 -5.353 1.00 4.11 C ATOM 504 CG ARG A 32 2.640 2.418 -5.995 1.00 13.51 C ATOM 505 CD ARG A 32 3.321 2.174 -7.353 1.00 54.35 C ATOM 506 NE ARG A 32 4.070 3.366 -7.812 1.00 32.11 N ATOM 507 CZ ARG A 32 5.363 3.371 -8.197 1.00 53.23 C ATOM 508 NH1 ARG A 32 6.082 2.254 -8.204 1.00 3.50 N ATOM 509 NH2 ARG A 32 5.941 4.503 -8.559 1.00 54.32 N ATOM 0 H ARG A 32 -0.771 1.178 -5.097 1.00 64.53 H new ATOM 0 HA ARG A 32 1.163 0.424 -7.194 1.00 75.43 H new ATOM 0 HB2 ARG A 32 1.717 1.391 -4.351 1.00 4.11 H new ATOM 0 HB3 ARG A 32 2.878 0.423 -5.238 1.00 4.11 H new ATOM 0 HG2 ARG A 32 1.834 3.140 -6.127 1.00 13.51 H new ATOM 0 HG3 ARG A 32 3.361 2.867 -5.312 1.00 13.51 H new ATOM 0 HD2 ARG A 32 4.001 1.326 -7.272 1.00 54.35 H new ATOM 0 HD3 ARG A 32 2.568 1.909 -8.095 1.00 54.35 H new ATOM 0 HE ARG A 32 3.569 4.254 -7.839 1.00 32.11 H new ATOM 0 HH11 ARG A 32 5.658 1.373 -7.915 1.00 3.50 H new ATOM 0 HH12 ARG A 32 7.058 2.278 -8.498 1.00 3.50 H new ATOM 0 HH21 ARG A 32 5.409 5.374 -8.547 1.00 54.32 H new ATOM 0 HH22 ARG A 32 6.919 4.506 -8.850 1.00 54.32 H new ATOM 523 N THR A 33 1.786 -1.752 -5.745 1.00 52.35 N ATOM 524 CA THR A 33 1.859 -3.142 -5.291 1.00 41.20 C ATOM 525 C THR A 33 3.319 -3.452 -4.908 1.00 33.02 C ATOM 526 O THR A 33 4.251 -2.934 -5.543 1.00 15.42 O ATOM 527 CB THR A 33 1.394 -4.122 -6.427 1.00 64.51 C ATOM 528 OG1 THR A 33 0.133 -3.688 -6.960 1.00 14.22 O ATOM 529 CG2 THR A 33 1.264 -5.576 -5.935 1.00 34.44 C ATOM 0 H THR A 33 2.651 -1.430 -6.180 1.00 52.35 H new ATOM 0 HA THR A 33 1.201 -3.278 -4.433 1.00 41.20 H new ATOM 0 HB THR A 33 2.162 -4.102 -7.201 1.00 64.51 H new ATOM 0 HG1 THR A 33 -0.430 -4.468 -7.144 1.00 14.22 H new ATOM 0 HG21 THR A 33 0.940 -6.211 -6.759 1.00 34.44 H new ATOM 0 HG22 THR A 33 2.229 -5.923 -5.567 1.00 34.44 H new ATOM 0 HG23 THR A 33 0.530 -5.624 -5.130 1.00 34.44 H new ATOM 537 N ALA A 34 3.514 -4.277 -3.873 1.00 14.13 N ATOM 538 CA ALA A 34 4.836 -4.779 -3.486 1.00 72.13 C ATOM 539 C ALA A 34 4.885 -6.302 -3.657 1.00 13.32 C ATOM 540 O ALA A 34 4.238 -7.051 -2.909 1.00 12.42 O ATOM 541 CB ALA A 34 5.187 -4.364 -2.056 1.00 30.54 C ATOM 0 H ALA A 34 2.757 -4.616 -3.279 1.00 14.13 H new ATOM 0 HA ALA A 34 5.586 -4.335 -4.141 1.00 72.13 H new ATOM 0 HB1 ALA A 34 6.173 -4.750 -1.797 1.00 30.54 H new ATOM 0 HB2 ALA A 34 5.193 -3.276 -1.984 1.00 30.54 H new ATOM 0 HB3 ALA A 34 4.446 -4.769 -1.367 1.00 30.54 H new ATOM 547 N THR A 35 5.610 -6.731 -4.693 1.00 11.32 N ATOM 548 CA THR A 35 5.909 -8.144 -4.971 1.00 15.34 C ATOM 549 C THR A 35 7.202 -8.549 -4.233 1.00 0.21 C ATOM 550 O THR A 35 7.341 -9.683 -3.755 1.00 73.30 O ATOM 551 CB THR A 35 6.082 -8.353 -6.514 1.00 30.14 C ATOM 552 OG1 THR A 35 4.971 -7.755 -7.199 1.00 42.21 O ATOM 553 CG2 THR A 35 6.191 -9.844 -6.916 1.00 33.04 C ATOM 0 H THR A 35 6.016 -6.094 -5.379 1.00 11.32 H new ATOM 0 HA THR A 35 5.086 -8.767 -4.620 1.00 15.34 H new ATOM 0 HB THR A 35 7.020 -7.877 -6.800 1.00 30.14 H new ATOM 0 HG1 THR A 35 5.076 -7.882 -8.165 1.00 42.21 H new ATOM 0 HG21 THR A 35 6.309 -9.922 -7.997 1.00 33.04 H new ATOM 0 HG22 THR A 35 7.054 -10.291 -6.424 1.00 33.04 H new ATOM 0 HG23 THR A 35 5.286 -10.370 -6.611 1.00 33.04 H new ATOM 561 N SER A 36 8.133 -7.581 -4.121 1.00 44.25 N ATOM 562 CA SER A 36 9.474 -7.796 -3.555 1.00 34.33 C ATOM 563 C SER A 36 10.003 -6.490 -2.905 1.00 24.12 C ATOM 564 O SER A 36 9.333 -5.445 -2.946 1.00 53.12 O ATOM 565 CB SER A 36 10.423 -8.291 -4.682 1.00 63.13 C ATOM 566 OG SER A 36 11.677 -8.722 -4.174 1.00 33.04 O ATOM 0 H SER A 36 7.971 -6.621 -4.424 1.00 44.25 H new ATOM 0 HA SER A 36 9.429 -8.554 -2.773 1.00 34.33 H new ATOM 0 HB2 SER A 36 9.949 -9.112 -5.220 1.00 63.13 H new ATOM 0 HB3 SER A 36 10.581 -7.487 -5.401 1.00 63.13 H new ATOM 0 HG SER A 36 12.243 -9.027 -4.914 1.00 33.04 H new ATOM 572 N SER A 37 11.214 -6.573 -2.311 1.00 71.55 N ATOM 573 CA SER A 37 11.893 -5.444 -1.632 1.00 32.24 C ATOM 574 C SER A 37 12.392 -4.362 -2.623 1.00 63.21 C ATOM 575 O SER A 37 12.726 -3.242 -2.207 1.00 62.13 O ATOM 576 CB SER A 37 13.058 -5.991 -0.766 1.00 2.45 C ATOM 577 OG SER A 37 13.890 -6.858 -1.521 1.00 43.01 O ATOM 0 H SER A 37 11.756 -7.437 -2.289 1.00 71.55 H new ATOM 0 HA SER A 37 11.163 -4.950 -0.991 1.00 32.24 H new ATOM 0 HB2 SER A 37 13.649 -5.161 -0.379 1.00 2.45 H new ATOM 0 HB3 SER A 37 12.656 -6.525 0.095 1.00 2.45 H new ATOM 0 HG SER A 37 14.618 -7.189 -0.954 1.00 43.01 H new ATOM 583 N GLN A 38 12.451 -4.713 -3.927 1.00 72.11 N ATOM 584 CA GLN A 38 12.724 -3.758 -5.019 1.00 64.21 C ATOM 585 C GLN A 38 11.602 -2.702 -5.080 1.00 3.41 C ATOM 586 O GLN A 38 11.882 -1.506 -5.214 1.00 60.54 O ATOM 587 CB GLN A 38 12.856 -4.527 -6.367 1.00 15.24 C ATOM 588 CG GLN A 38 12.992 -3.660 -7.645 1.00 4.52 C ATOM 589 CD GLN A 38 14.270 -2.821 -7.693 1.00 45.21 C ATOM 590 OE1 GLN A 38 15.312 -3.275 -8.169 1.00 74.25 O ATOM 591 NE2 GLN A 38 14.199 -1.586 -7.219 1.00 44.04 N ATOM 0 H GLN A 38 12.310 -5.670 -4.250 1.00 72.11 H new ATOM 0 HA GLN A 38 13.665 -3.240 -4.831 1.00 64.21 H new ATOM 0 HB2 GLN A 38 13.726 -5.181 -6.304 1.00 15.24 H new ATOM 0 HB3 GLN A 38 11.982 -5.169 -6.481 1.00 15.24 H new ATOM 0 HG2 GLN A 38 12.964 -4.311 -8.519 1.00 4.52 H new ATOM 0 HG3 GLN A 38 12.130 -2.996 -7.715 1.00 4.52 H new ATOM 0 HE21 GLN A 38 13.322 -1.238 -6.831 1.00 44.04 H new ATOM 0 HE22 GLN A 38 15.021 -0.983 -7.242 1.00 44.04 H new ATOM 600 N ASP A 39 10.334 -3.170 -4.937 1.00 72.22 N ATOM 601 CA ASP A 39 9.142 -2.288 -4.906 1.00 32.12 C ATOM 602 C ASP A 39 9.205 -1.307 -3.721 1.00 43.02 C ATOM 603 O ASP A 39 8.826 -0.154 -3.860 1.00 12.13 O ATOM 604 CB ASP A 39 7.825 -3.103 -4.812 1.00 12.42 C ATOM 605 CG ASP A 39 7.536 -3.964 -6.049 1.00 43.21 C ATOM 606 OD1 ASP A 39 7.009 -3.429 -7.050 1.00 40.33 O ATOM 607 OD2 ASP A 39 7.826 -5.179 -6.026 1.00 52.11 O ATOM 0 H ASP A 39 10.113 -4.161 -4.841 1.00 72.22 H new ATOM 0 HA ASP A 39 9.147 -1.730 -5.842 1.00 32.12 H new ATOM 0 HB2 ASP A 39 7.871 -3.749 -3.935 1.00 12.42 H new ATOM 0 HB3 ASP A 39 6.994 -2.415 -4.658 1.00 12.42 H new ATOM 612 N ILE A 40 9.702 -1.797 -2.571 1.00 61.13 N ATOM 613 CA ILE A 40 9.818 -1.009 -1.323 1.00 12.21 C ATOM 614 C ILE A 40 10.611 0.300 -1.566 1.00 41.04 C ATOM 615 O ILE A 40 10.123 1.393 -1.270 1.00 14.23 O ATOM 616 CB ILE A 40 10.496 -1.870 -0.187 1.00 12.32 C ATOM 617 CG1 ILE A 40 9.638 -3.143 0.166 1.00 43.32 C ATOM 618 CG2 ILE A 40 10.814 -1.029 1.067 1.00 41.25 C ATOM 619 CD1 ILE A 40 8.191 -2.892 0.570 1.00 52.13 C ATOM 0 H ILE A 40 10.037 -2.756 -2.477 1.00 61.13 H new ATOM 0 HA ILE A 40 8.814 -0.738 -0.997 1.00 12.21 H new ATOM 0 HB ILE A 40 11.450 -2.221 -0.581 1.00 12.32 H new ATOM 0 HG12 ILE A 40 9.641 -3.808 -0.698 1.00 43.32 H new ATOM 0 HG13 ILE A 40 10.133 -3.674 0.979 1.00 43.32 H new ATOM 0 HG21 ILE A 40 11.279 -1.663 1.822 1.00 41.25 H new ATOM 0 HG22 ILE A 40 11.496 -0.222 0.800 1.00 41.25 H new ATOM 0 HG23 ILE A 40 9.891 -0.607 1.466 1.00 41.25 H new ATOM 0 HD11 ILE A 40 7.704 -3.842 0.788 1.00 52.13 H new ATOM 0 HD12 ILE A 40 8.165 -2.259 1.457 1.00 52.13 H new ATOM 0 HD13 ILE A 40 7.666 -2.395 -0.246 1.00 52.13 H new ATOM 631 N ARG A 41 11.813 0.163 -2.149 1.00 54.44 N ATOM 632 CA ARG A 41 12.679 1.310 -2.501 1.00 1.45 C ATOM 633 C ARG A 41 12.060 2.166 -3.626 1.00 75.01 C ATOM 634 O ARG A 41 12.060 3.397 -3.547 1.00 23.44 O ATOM 635 CB ARG A 41 14.077 0.792 -2.933 1.00 14.12 C ATOM 636 CG ARG A 41 14.922 0.195 -1.786 1.00 64.14 C ATOM 637 CD ARG A 41 15.394 1.261 -0.781 1.00 23.34 C ATOM 638 NE ARG A 41 16.233 2.277 -1.439 1.00 71.21 N ATOM 639 CZ ARG A 41 16.536 3.496 -0.961 1.00 61.23 C ATOM 640 NH1 ARG A 41 16.081 3.926 0.214 1.00 64.21 N ATOM 641 NH2 ARG A 41 17.314 4.285 -1.679 1.00 1.41 N ATOM 0 H ARG A 41 12.215 -0.743 -2.391 1.00 54.44 H new ATOM 0 HA ARG A 41 12.777 1.944 -1.620 1.00 1.45 H new ATOM 0 HB2 ARG A 41 13.947 0.033 -3.704 1.00 14.12 H new ATOM 0 HB3 ARG A 41 14.631 1.614 -3.385 1.00 14.12 H new ATOM 0 HG2 ARG A 41 14.335 -0.559 -1.261 1.00 64.14 H new ATOM 0 HG3 ARG A 41 15.790 -0.313 -2.206 1.00 64.14 H new ATOM 0 HD2 ARG A 41 14.529 1.741 -0.322 1.00 23.34 H new ATOM 0 HD3 ARG A 41 15.957 0.784 0.021 1.00 23.34 H new ATOM 0 HE ARG A 41 16.623 2.031 -2.349 1.00 71.21 H new ATOM 0 HH11 ARG A 41 15.483 3.324 0.781 1.00 64.21 H new ATOM 0 HH12 ARG A 41 16.330 4.857 0.548 1.00 64.21 H new ATOM 0 HH21 ARG A 41 17.673 3.966 -2.579 1.00 1.41 H new ATOM 0 HH22 ARG A 41 17.556 5.214 -1.334 1.00 1.41 H new ATOM 655 N ASP A 42 11.517 1.477 -4.640 1.00 63.20 N ATOM 656 CA ASP A 42 11.020 2.080 -5.895 1.00 63.33 C ATOM 657 C ASP A 42 9.853 3.067 -5.657 1.00 22.13 C ATOM 658 O ASP A 42 9.906 4.228 -6.088 1.00 1.33 O ATOM 659 CB ASP A 42 10.582 0.941 -6.856 1.00 1.35 C ATOM 660 CG ASP A 42 9.982 1.443 -8.177 1.00 62.42 C ATOM 661 OD1 ASP A 42 10.737 1.972 -9.028 1.00 41.32 O ATOM 662 OD2 ASP A 42 8.759 1.294 -8.384 1.00 4.04 O ATOM 0 H ASP A 42 11.407 0.463 -4.615 1.00 63.20 H new ATOM 0 HA ASP A 42 11.829 2.661 -6.339 1.00 63.33 H new ATOM 0 HB2 ASP A 42 11.444 0.311 -7.075 1.00 1.35 H new ATOM 0 HB3 ASP A 42 9.849 0.313 -6.350 1.00 1.35 H new ATOM 667 N ILE A 43 8.826 2.577 -4.952 1.00 64.24 N ATOM 668 CA ILE A 43 7.589 3.314 -4.661 1.00 61.32 C ATOM 669 C ILE A 43 7.878 4.583 -3.835 1.00 40.12 C ATOM 670 O ILE A 43 7.523 5.690 -4.250 1.00 31.30 O ATOM 671 CB ILE A 43 6.579 2.375 -3.896 1.00 50.33 C ATOM 672 CG1 ILE A 43 6.168 1.164 -4.802 1.00 4.20 C ATOM 673 CG2 ILE A 43 5.344 3.153 -3.393 1.00 51.53 C ATOM 674 CD1 ILE A 43 5.436 0.040 -4.086 1.00 64.22 C ATOM 0 H ILE A 43 8.832 1.636 -4.559 1.00 64.24 H new ATOM 0 HA ILE A 43 7.143 3.628 -5.605 1.00 61.32 H new ATOM 0 HB ILE A 43 7.084 1.984 -3.013 1.00 50.33 H new ATOM 0 HG12 ILE A 43 5.535 1.533 -5.609 1.00 4.20 H new ATOM 0 HG13 ILE A 43 7.067 0.755 -5.264 1.00 4.20 H new ATOM 0 HG21 ILE A 43 4.672 2.471 -2.871 1.00 51.53 H new ATOM 0 HG22 ILE A 43 5.663 3.941 -2.711 1.00 51.53 H new ATOM 0 HG23 ILE A 43 4.823 3.597 -4.241 1.00 51.53 H new ATOM 0 HD11 ILE A 43 5.196 -0.749 -4.798 1.00 64.22 H new ATOM 0 HD12 ILE A 43 6.071 -0.364 -3.298 1.00 64.22 H new ATOM 0 HD13 ILE A 43 4.516 0.426 -3.648 1.00 64.22 H new ATOM 686 N ILE A 44 8.560 4.395 -2.691 1.00 0.11 N ATOM 687 CA ILE A 44 8.866 5.467 -1.721 1.00 5.33 C ATOM 688 C ILE A 44 9.765 6.558 -2.351 1.00 1.01 C ATOM 689 O ILE A 44 9.591 7.764 -2.086 1.00 33.12 O ATOM 690 CB ILE A 44 9.536 4.847 -0.434 1.00 54.25 C ATOM 691 CG1 ILE A 44 8.542 3.849 0.253 1.00 55.24 C ATOM 692 CG2 ILE A 44 10.016 5.935 0.559 1.00 53.25 C ATOM 693 CD1 ILE A 44 9.133 3.048 1.394 1.00 60.11 C ATOM 0 H ILE A 44 8.920 3.483 -2.409 1.00 0.11 H new ATOM 0 HA ILE A 44 7.933 5.950 -1.431 1.00 5.33 H new ATOM 0 HB ILE A 44 10.426 4.302 -0.747 1.00 54.25 H new ATOM 0 HG12 ILE A 44 7.686 4.411 0.627 1.00 55.24 H new ATOM 0 HG13 ILE A 44 8.165 3.158 -0.500 1.00 55.24 H new ATOM 0 HG21 ILE A 44 10.470 5.459 1.428 1.00 53.25 H new ATOM 0 HG22 ILE A 44 10.751 6.575 0.070 1.00 53.25 H new ATOM 0 HG23 ILE A 44 9.165 6.537 0.878 1.00 53.25 H new ATOM 0 HD11 ILE A 44 8.372 2.386 1.806 1.00 60.11 H new ATOM 0 HD12 ILE A 44 9.970 2.454 1.026 1.00 60.11 H new ATOM 0 HD13 ILE A 44 9.484 3.727 2.172 1.00 60.11 H new ATOM 705 N LYS A 45 10.698 6.123 -3.225 1.00 31.45 N ATOM 706 CA LYS A 45 11.594 7.037 -3.950 1.00 74.20 C ATOM 707 C LYS A 45 10.790 7.861 -4.983 1.00 34.02 C ATOM 708 O LYS A 45 11.057 9.043 -5.173 1.00 52.05 O ATOM 709 CB LYS A 45 12.754 6.249 -4.633 1.00 71.02 C ATOM 710 CG LYS A 45 13.920 7.104 -5.219 1.00 52.45 C ATOM 711 CD LYS A 45 15.014 7.542 -4.191 1.00 51.01 C ATOM 712 CE LYS A 45 14.533 8.555 -3.136 1.00 13.43 C ATOM 713 NZ LYS A 45 15.655 9.092 -2.311 1.00 31.11 N ATOM 0 H LYS A 45 10.847 5.138 -3.443 1.00 31.45 H new ATOM 0 HA LYS A 45 12.042 7.728 -3.237 1.00 74.20 H new ATOM 0 HB2 LYS A 45 13.172 5.555 -3.904 1.00 71.02 H new ATOM 0 HB3 LYS A 45 12.332 5.649 -5.439 1.00 71.02 H new ATOM 0 HG2 LYS A 45 14.401 6.535 -6.015 1.00 52.45 H new ATOM 0 HG3 LYS A 45 13.497 7.998 -5.677 1.00 52.45 H new ATOM 0 HD2 LYS A 45 15.389 6.655 -3.680 1.00 51.01 H new ATOM 0 HD3 LYS A 45 15.853 7.975 -4.736 1.00 51.01 H new ATOM 0 HE2 LYS A 45 14.024 9.380 -3.634 1.00 13.43 H new ATOM 0 HE3 LYS A 45 13.802 8.077 -2.484 1.00 13.43 H new ATOM 0 HZ1 LYS A 45 15.279 9.471 -1.419 1.00 31.11 H new ATOM 0 HZ2 LYS A 45 16.331 8.329 -2.106 1.00 31.11 H new ATOM 0 HZ3 LYS A 45 16.138 9.851 -2.833 1.00 31.11 H new ATOM 727 N SER A 46 9.774 7.219 -5.601 1.00 2.15 N ATOM 728 CA SER A 46 8.858 7.863 -6.571 1.00 23.45 C ATOM 729 C SER A 46 7.897 8.852 -5.859 1.00 13.24 C ATOM 730 O SER A 46 7.434 9.824 -6.472 1.00 75.13 O ATOM 731 CB SER A 46 8.070 6.779 -7.351 1.00 72.32 C ATOM 732 OG SER A 46 7.167 7.347 -8.288 1.00 55.24 O ATOM 0 H SER A 46 9.565 6.234 -5.440 1.00 2.15 H new ATOM 0 HA SER A 46 9.450 8.440 -7.281 1.00 23.45 H new ATOM 0 HB2 SER A 46 8.771 6.127 -7.873 1.00 72.32 H new ATOM 0 HB3 SER A 46 7.518 6.156 -6.647 1.00 72.32 H new ATOM 0 HG SER A 46 7.179 6.820 -9.114 1.00 55.24 H new ATOM 738 N MET A 47 7.617 8.593 -4.564 1.00 54.52 N ATOM 739 CA MET A 47 6.781 9.478 -3.723 1.00 24.45 C ATOM 740 C MET A 47 7.517 10.781 -3.405 1.00 4.03 C ATOM 741 O MET A 47 6.924 11.859 -3.409 1.00 4.32 O ATOM 742 CB MET A 47 6.380 8.780 -2.401 1.00 23.42 C ATOM 743 CG MET A 47 5.539 7.518 -2.573 1.00 22.32 C ATOM 744 SD MET A 47 4.833 6.951 -1.022 1.00 0.31 S ATOM 745 CE MET A 47 3.766 8.338 -0.642 1.00 14.32 C ATOM 0 H MET A 47 7.962 7.768 -4.073 1.00 54.52 H new ATOM 0 HA MET A 47 5.878 9.705 -4.290 1.00 24.45 H new ATOM 0 HB2 MET A 47 7.286 8.524 -1.852 1.00 23.42 H new ATOM 0 HB3 MET A 47 5.825 9.489 -1.786 1.00 23.42 H new ATOM 0 HG2 MET A 47 4.737 7.713 -3.285 1.00 22.32 H new ATOM 0 HG3 MET A 47 6.157 6.728 -2.998 1.00 22.32 H new ATOM 0 HE1 MET A 47 3.917 8.640 0.394 1.00 14.32 H new ATOM 0 HE2 MET A 47 4.005 9.172 -1.302 1.00 14.32 H new ATOM 0 HE3 MET A 47 2.726 8.047 -0.787 1.00 14.32 H new ATOM 755 N LYS A 48 8.817 10.655 -3.099 1.00 32.03 N ATOM 756 CA LYS A 48 9.698 11.813 -2.854 1.00 50.22 C ATOM 757 C LYS A 48 10.137 12.478 -4.173 1.00 21.21 C ATOM 758 O LYS A 48 10.573 13.634 -4.173 1.00 74.25 O ATOM 759 CB LYS A 48 10.936 11.370 -2.027 1.00 25.41 C ATOM 760 CG LYS A 48 10.648 10.904 -0.574 1.00 53.31 C ATOM 761 CD LYS A 48 10.430 12.059 0.459 1.00 52.02 C ATOM 762 CE LYS A 48 9.033 12.702 0.435 1.00 74.13 C ATOM 763 NZ LYS A 48 8.913 13.815 1.423 1.00 5.14 N ATOM 0 H LYS A 48 9.288 9.754 -3.014 1.00 32.03 H new ATOM 0 HA LYS A 48 9.135 12.554 -2.286 1.00 50.22 H new ATOM 0 HB2 LYS A 48 11.431 10.557 -2.558 1.00 25.41 H new ATOM 0 HB3 LYS A 48 11.640 12.201 -1.989 1.00 25.41 H new ATOM 0 HG2 LYS A 48 9.761 10.270 -0.581 1.00 53.31 H new ATOM 0 HG3 LYS A 48 11.479 10.286 -0.235 1.00 53.31 H new ATOM 0 HD2 LYS A 48 10.617 11.670 1.460 1.00 52.02 H new ATOM 0 HD3 LYS A 48 11.173 12.835 0.275 1.00 52.02 H new ATOM 0 HE2 LYS A 48 8.826 13.081 -0.566 1.00 74.13 H new ATOM 0 HE3 LYS A 48 8.281 11.943 0.650 1.00 74.13 H new ATOM 0 HZ1 LYS A 48 8.106 14.420 1.168 1.00 5.14 H new ATOM 0 HZ2 LYS A 48 8.763 13.421 2.374 1.00 5.14 H new ATOM 0 HZ3 LYS A 48 9.786 14.381 1.416 1.00 5.14 H new ATOM 777 N ASP A 49 10.014 11.740 -5.291 1.00 33.14 N ATOM 778 CA ASP A 49 10.415 12.226 -6.624 1.00 42.55 C ATOM 779 C ASP A 49 9.347 13.173 -7.200 1.00 31.22 C ATOM 780 O ASP A 49 9.605 14.362 -7.413 1.00 51.34 O ATOM 781 CB ASP A 49 10.651 11.018 -7.576 1.00 43.13 C ATOM 782 CG ASP A 49 11.291 11.410 -8.915 1.00 61.32 C ATOM 783 OD1 ASP A 49 12.538 11.501 -8.980 1.00 54.21 O ATOM 784 OD2 ASP A 49 10.567 11.612 -9.914 1.00 10.43 O ATOM 0 H ASP A 49 9.635 10.793 -5.296 1.00 33.14 H new ATOM 0 HA ASP A 49 11.345 12.787 -6.530 1.00 42.55 H new ATOM 0 HB2 ASP A 49 11.291 10.291 -7.076 1.00 43.13 H new ATOM 0 HB3 ASP A 49 9.698 10.525 -7.768 1.00 43.13 H new ATOM 789 N ASN A 50 8.138 12.628 -7.409 1.00 44.25 N ATOM 790 CA ASN A 50 7.007 13.358 -8.017 1.00 70.54 C ATOM 791 C ASN A 50 6.278 14.198 -6.956 1.00 52.50 C ATOM 792 O ASN A 50 5.849 15.322 -7.230 1.00 62.31 O ATOM 793 CB ASN A 50 6.020 12.349 -8.676 1.00 43.20 C ATOM 794 CG ASN A 50 4.858 13.010 -9.439 1.00 13.52 C ATOM 795 OD1 ASN A 50 3.745 13.281 -8.756 1.00 23.13 O flip ATOM 796 ND2 ASN A 50 4.960 13.285 -10.636 1.00 44.04 N flip ATOM 0 H ASN A 50 7.914 11.664 -7.161 1.00 44.25 H new ATOM 0 HA ASN A 50 7.393 14.030 -8.783 1.00 70.54 H new ATOM 0 HB2 ASN A 50 6.575 11.711 -9.364 1.00 43.20 H new ATOM 0 HB3 ASN A 50 5.609 11.701 -7.902 1.00 43.20 H new ATOM 0 HD21 ASN A 50 5.821 13.068 -11.138 1.00 44.04 H new ATOM 0 HD22 ASN A 50 4.183 13.729 -11.125 1.00 44.04 H new ATOM 803 N GLY A 51 6.170 13.637 -5.733 1.00 33.43 N ATOM 804 CA GLY A 51 5.310 14.196 -4.693 1.00 74.13 C ATOM 805 C GLY A 51 3.874 13.775 -4.923 1.00 33.30 C ATOM 806 O GLY A 51 3.115 14.496 -5.571 1.00 32.25 O ATOM 0 H GLY A 51 6.673 12.796 -5.451 1.00 33.43 H new ATOM 0 HA2 GLY A 51 5.644 13.856 -3.713 1.00 74.13 H new ATOM 0 HA3 GLY A 51 5.383 15.284 -4.696 1.00 74.13 H new ATOM 810 N LYS A 52 3.500 12.587 -4.416 1.00 64.11 N ATOM 811 CA LYS A 52 2.215 11.952 -4.764 1.00 31.12 C ATOM 812 C LYS A 52 1.743 10.947 -3.684 1.00 42.50 C ATOM 813 O LYS A 52 2.570 10.357 -2.975 1.00 3.11 O ATOM 814 CB LYS A 52 2.340 11.257 -6.150 1.00 11.22 C ATOM 815 CG LYS A 52 3.496 10.235 -6.281 1.00 62.35 C ATOM 816 CD LYS A 52 3.556 9.621 -7.700 1.00 44.23 C ATOM 817 CE LYS A 52 2.320 8.767 -8.027 1.00 73.41 C ATOM 818 NZ LYS A 52 2.246 8.404 -9.469 1.00 24.00 N ATOM 0 H LYS A 52 4.069 12.047 -3.764 1.00 64.11 H new ATOM 0 HA LYS A 52 1.456 12.733 -4.813 1.00 31.12 H new ATOM 0 HB2 LYS A 52 1.401 10.747 -6.367 1.00 11.22 H new ATOM 0 HB3 LYS A 52 2.470 12.026 -6.912 1.00 11.22 H new ATOM 0 HG2 LYS A 52 4.443 10.725 -6.056 1.00 62.35 H new ATOM 0 HG3 LYS A 52 3.365 9.441 -5.546 1.00 62.35 H new ATOM 0 HD2 LYS A 52 3.645 10.421 -8.435 1.00 44.23 H new ATOM 0 HD3 LYS A 52 4.452 9.006 -7.788 1.00 44.23 H new ATOM 0 HE2 LYS A 52 2.341 7.857 -7.427 1.00 73.41 H new ATOM 0 HE3 LYS A 52 1.420 9.313 -7.746 1.00 73.41 H new ATOM 0 HZ1 LYS A 52 1.302 8.025 -9.684 1.00 24.00 H new ATOM 0 HZ2 LYS A 52 2.420 9.249 -10.049 1.00 24.00 H new ATOM 0 HZ3 LYS A 52 2.965 7.684 -9.683 1.00 24.00 H new ATOM 832 N PRO A 53 0.383 10.762 -3.534 1.00 14.23 N ATOM 833 CA PRO A 53 -0.212 9.726 -2.665 1.00 72.13 C ATOM 834 C PRO A 53 -0.322 8.369 -3.401 1.00 22.11 C ATOM 835 O PRO A 53 -0.649 8.329 -4.595 1.00 0.50 O ATOM 836 CB PRO A 53 -1.623 10.306 -2.317 1.00 32.32 C ATOM 837 CG PRO A 53 -1.748 11.601 -3.093 1.00 62.13 C ATOM 838 CD PRO A 53 -0.695 11.553 -4.179 1.00 25.03 C ATOM 0 HA PRO A 53 0.388 9.520 -1.779 1.00 72.13 H new ATOM 0 HB2 PRO A 53 -2.411 9.607 -2.596 1.00 32.32 H new ATOM 0 HB3 PRO A 53 -1.718 10.483 -1.246 1.00 32.32 H new ATOM 0 HG2 PRO A 53 -2.745 11.701 -3.523 1.00 62.13 H new ATOM 0 HG3 PRO A 53 -1.594 12.461 -2.441 1.00 62.13 H new ATOM 0 HD2 PRO A 53 -1.066 11.074 -5.085 1.00 25.03 H new ATOM 0 HD3 PRO A 53 -0.356 12.549 -4.462 1.00 25.03 H new ATOM 846 N LEU A 54 -0.050 7.269 -2.681 1.00 71.23 N ATOM 847 CA LEU A 54 -0.059 5.899 -3.255 1.00 42.45 C ATOM 848 C LEU A 54 -0.726 4.911 -2.290 1.00 15.41 C ATOM 849 O LEU A 54 -0.870 5.201 -1.109 1.00 25.22 O ATOM 850 CB LEU A 54 1.407 5.467 -3.608 1.00 23.23 C ATOM 851 CG LEU A 54 2.004 6.156 -4.883 1.00 1.11 C ATOM 852 CD1 LEU A 54 3.503 5.852 -5.086 1.00 54.04 C ATOM 853 CD2 LEU A 54 1.192 5.759 -6.122 1.00 11.40 C ATOM 0 H LEU A 54 0.182 7.296 -1.688 1.00 71.23 H new ATOM 0 HA LEU A 54 -0.646 5.896 -4.173 1.00 42.45 H new ATOM 0 HB2 LEU A 54 2.051 5.688 -2.757 1.00 23.23 H new ATOM 0 HB3 LEU A 54 1.428 4.387 -3.752 1.00 23.23 H new ATOM 0 HG LEU A 54 1.930 7.233 -4.731 1.00 1.11 H new ATOM 0 HD11 LEU A 54 3.858 6.357 -5.984 1.00 54.04 H new ATOM 0 HD12 LEU A 54 4.066 6.207 -4.223 1.00 54.04 H new ATOM 0 HD13 LEU A 54 3.645 4.777 -5.194 1.00 54.04 H new ATOM 0 HD21 LEU A 54 1.614 6.242 -7.003 1.00 11.40 H new ATOM 0 HD22 LEU A 54 1.228 4.677 -6.249 1.00 11.40 H new ATOM 0 HD23 LEU A 54 0.157 6.075 -5.995 1.00 11.40 H new ATOM 865 N VAL A 55 -1.166 3.748 -2.810 1.00 32.32 N ATOM 866 CA VAL A 55 -1.752 2.664 -1.988 1.00 50.22 C ATOM 867 C VAL A 55 -0.995 1.360 -2.302 1.00 73.35 C ATOM 868 O VAL A 55 -1.260 0.727 -3.323 1.00 71.34 O ATOM 869 CB VAL A 55 -3.305 2.469 -2.279 1.00 25.31 C ATOM 870 CG1 VAL A 55 -3.922 1.411 -1.338 1.00 11.24 C ATOM 871 CG2 VAL A 55 -4.086 3.803 -2.196 1.00 1.42 C ATOM 0 H VAL A 55 -1.127 3.532 -3.806 1.00 32.32 H new ATOM 0 HA VAL A 55 -1.653 2.929 -0.935 1.00 50.22 H new ATOM 0 HB VAL A 55 -3.392 2.107 -3.303 1.00 25.31 H new ATOM 0 HG11 VAL A 55 -4.983 1.300 -1.561 1.00 11.24 H new ATOM 0 HG12 VAL A 55 -3.419 0.455 -1.485 1.00 11.24 H new ATOM 0 HG13 VAL A 55 -3.800 1.730 -0.303 1.00 11.24 H new ATOM 0 HG21 VAL A 55 -5.141 3.621 -2.402 1.00 1.42 H new ATOM 0 HG22 VAL A 55 -3.979 4.226 -1.197 1.00 1.42 H new ATOM 0 HG23 VAL A 55 -3.689 4.503 -2.931 1.00 1.42 H new ATOM 881 N VAL A 56 -0.045 0.970 -1.430 1.00 21.11 N ATOM 882 CA VAL A 56 0.805 -0.222 -1.651 1.00 1.12 C ATOM 883 C VAL A 56 0.155 -1.481 -1.062 1.00 12.25 C ATOM 884 O VAL A 56 0.097 -1.649 0.159 1.00 1.24 O ATOM 885 CB VAL A 56 2.238 -0.028 -1.026 1.00 72.15 C ATOM 886 CG1 VAL A 56 3.130 -1.288 -1.197 1.00 52.13 C ATOM 887 CG2 VAL A 56 2.918 1.206 -1.632 1.00 31.30 C ATOM 0 H VAL A 56 0.156 1.465 -0.561 1.00 21.11 H new ATOM 0 HA VAL A 56 0.907 -0.347 -2.729 1.00 1.12 H new ATOM 0 HB VAL A 56 2.110 0.126 0.045 1.00 72.15 H new ATOM 0 HG11 VAL A 56 4.107 -1.105 -0.750 1.00 52.13 H new ATOM 0 HG12 VAL A 56 2.658 -2.137 -0.703 1.00 52.13 H new ATOM 0 HG13 VAL A 56 3.251 -1.507 -2.258 1.00 52.13 H new ATOM 0 HG21 VAL A 56 3.908 1.329 -1.192 1.00 31.30 H new ATOM 0 HG22 VAL A 56 3.014 1.076 -2.710 1.00 31.30 H new ATOM 0 HG23 VAL A 56 2.316 2.091 -1.425 1.00 31.30 H new ATOM 897 N PHE A 57 -0.352 -2.344 -1.946 1.00 22.14 N ATOM 898 CA PHE A 57 -0.823 -3.679 -1.578 1.00 20.52 C ATOM 899 C PHE A 57 0.378 -4.648 -1.521 1.00 33.40 C ATOM 900 O PHE A 57 0.939 -4.999 -2.564 1.00 51.33 O ATOM 901 CB PHE A 57 -1.858 -4.166 -2.626 1.00 4.32 C ATOM 902 CG PHE A 57 -3.163 -3.373 -2.654 1.00 41.23 C ATOM 903 CD1 PHE A 57 -3.268 -2.175 -3.364 1.00 61.04 C ATOM 904 CD2 PHE A 57 -4.287 -3.828 -1.967 1.00 11.02 C ATOM 905 CE1 PHE A 57 -4.455 -1.470 -3.391 1.00 60.43 C ATOM 906 CE2 PHE A 57 -5.470 -3.119 -1.995 1.00 44.20 C ATOM 907 CZ PHE A 57 -5.554 -1.938 -2.701 1.00 73.13 C ATOM 0 H PHE A 57 -0.447 -2.135 -2.940 1.00 22.14 H new ATOM 0 HA PHE A 57 -1.299 -3.647 -0.598 1.00 20.52 H new ATOM 0 HB2 PHE A 57 -1.401 -4.122 -3.615 1.00 4.32 H new ATOM 0 HB3 PHE A 57 -2.089 -5.213 -2.428 1.00 4.32 H new ATOM 0 HD1 PHE A 57 -2.410 -1.795 -3.899 1.00 61.04 H new ATOM 0 HD2 PHE A 57 -4.231 -4.748 -1.405 1.00 11.02 H new ATOM 0 HE1 PHE A 57 -4.523 -0.550 -3.953 1.00 60.43 H new ATOM 0 HE2 PHE A 57 -6.333 -3.490 -1.462 1.00 44.20 H new ATOM 0 HZ PHE A 57 -6.479 -1.380 -2.714 1.00 73.13 H new ATOM 917 N VAL A 58 0.788 -5.056 -0.305 1.00 23.32 N ATOM 918 CA VAL A 58 1.807 -6.115 -0.130 1.00 11.42 C ATOM 919 C VAL A 58 1.099 -7.487 -0.212 1.00 40.20 C ATOM 920 O VAL A 58 0.398 -7.902 0.717 1.00 72.12 O ATOM 921 CB VAL A 58 2.649 -5.957 1.208 1.00 15.22 C ATOM 922 CG1 VAL A 58 3.548 -4.703 1.165 1.00 42.11 C ATOM 923 CG2 VAL A 58 1.772 -5.932 2.472 1.00 41.33 C ATOM 0 H VAL A 58 0.432 -4.671 0.570 1.00 23.32 H new ATOM 0 HA VAL A 58 2.542 -6.029 -0.930 1.00 11.42 H new ATOM 0 HB VAL A 58 3.279 -6.845 1.267 1.00 15.22 H new ATOM 0 HG11 VAL A 58 4.110 -4.626 2.096 1.00 42.11 H new ATOM 0 HG12 VAL A 58 4.242 -4.781 0.328 1.00 42.11 H new ATOM 0 HG13 VAL A 58 2.928 -3.815 1.041 1.00 42.11 H new ATOM 0 HG21 VAL A 58 2.405 -5.822 3.352 1.00 41.33 H new ATOM 0 HG22 VAL A 58 1.078 -5.093 2.417 1.00 41.33 H new ATOM 0 HG23 VAL A 58 1.210 -6.863 2.543 1.00 41.33 H new ATOM 933 N ASN A 59 1.246 -8.167 -1.365 1.00 21.10 N ATOM 934 CA ASN A 59 0.484 -9.394 -1.679 1.00 12.24 C ATOM 935 C ASN A 59 0.981 -10.599 -0.860 1.00 52.13 C ATOM 936 O ASN A 59 1.803 -11.401 -1.331 1.00 35.30 O ATOM 937 CB ASN A 59 0.497 -9.694 -3.206 1.00 40.01 C ATOM 938 CG ASN A 59 -0.370 -8.733 -4.027 1.00 11.01 C ATOM 939 OD1 ASN A 59 -0.453 -7.537 -3.747 1.00 43.35 O ATOM 940 ND2 ASN A 59 -1.053 -9.261 -5.030 1.00 40.51 N ATOM 0 H ASN A 59 1.892 -7.885 -2.102 1.00 21.10 H new ATOM 0 HA ASN A 59 -0.552 -9.216 -1.389 1.00 12.24 H new ATOM 0 HB2 ASN A 59 1.524 -9.644 -3.569 1.00 40.01 H new ATOM 0 HB3 ASN A 59 0.150 -10.714 -3.370 1.00 40.01 H new ATOM 0 HD21 ASN A 59 -1.668 -8.674 -5.594 1.00 40.51 H new ATOM 0 HD22 ASN A 59 -0.965 -10.255 -5.239 1.00 40.51 H new ATOM 947 N GLY A 60 0.463 -10.694 0.386 1.00 1.12 N ATOM 948 CA GLY A 60 0.785 -11.775 1.316 1.00 43.14 C ATOM 949 C GLY A 60 2.256 -11.809 1.672 1.00 43.34 C ATOM 950 O GLY A 60 2.845 -12.884 1.847 1.00 53.34 O ATOM 0 H GLY A 60 -0.194 -10.013 0.767 1.00 1.12 H new ATOM 0 HA2 GLY A 60 0.196 -11.656 2.226 1.00 43.14 H new ATOM 0 HA3 GLY A 60 0.499 -12.729 0.874 1.00 43.14 H new ATOM 954 N ALA A 61 2.846 -10.610 1.754 1.00 14.25 N ATOM 955 CA ALA A 61 4.270 -10.424 2.026 1.00 10.41 C ATOM 956 C ALA A 61 4.586 -10.622 3.518 1.00 60.14 C ATOM 957 O ALA A 61 3.677 -10.764 4.352 1.00 32.30 O ATOM 958 CB ALA A 61 4.711 -9.044 1.522 1.00 42.15 C ATOM 0 H ALA A 61 2.339 -9.734 1.631 1.00 14.25 H new ATOM 0 HA ALA A 61 4.838 -11.183 1.489 1.00 10.41 H new ATOM 0 HB1 ALA A 61 5.773 -8.905 1.725 1.00 42.15 H new ATOM 0 HB2 ALA A 61 4.534 -8.975 0.449 1.00 42.15 H new ATOM 0 HB3 ALA A 61 4.139 -8.270 2.034 1.00 42.15 H new ATOM 964 N SER A 62 5.881 -10.612 3.836 1.00 63.55 N ATOM 965 CA SER A 62 6.407 -10.973 5.163 1.00 3.20 C ATOM 966 C SER A 62 6.639 -9.706 6.022 1.00 61.44 C ATOM 967 O SER A 62 6.186 -8.621 5.653 1.00 62.43 O ATOM 968 CB SER A 62 7.708 -11.764 4.940 1.00 2.42 C ATOM 969 OG SER A 62 7.523 -12.815 4.000 1.00 2.50 O ATOM 0 H SER A 62 6.609 -10.349 3.172 1.00 63.55 H new ATOM 0 HA SER A 62 5.694 -11.587 5.712 1.00 3.20 H new ATOM 0 HB2 SER A 62 8.489 -11.091 4.586 1.00 2.42 H new ATOM 0 HB3 SER A 62 8.051 -12.178 5.888 1.00 2.42 H new ATOM 0 HG SER A 62 8.367 -13.298 3.879 1.00 2.50 H new ATOM 975 N GLN A 63 7.321 -9.846 7.178 1.00 1.52 N ATOM 976 CA GLN A 63 7.541 -8.716 8.108 1.00 51.33 C ATOM 977 C GLN A 63 8.765 -7.874 7.710 1.00 73.11 C ATOM 978 O GLN A 63 8.730 -6.654 7.875 1.00 62.31 O ATOM 979 CB GLN A 63 7.666 -9.207 9.579 1.00 42.03 C ATOM 980 CG GLN A 63 7.817 -8.059 10.610 1.00 3.14 C ATOM 981 CD GLN A 63 7.768 -8.498 12.073 1.00 3.41 C ATOM 982 OE1 GLN A 63 8.171 -9.606 12.424 1.00 35.02 O ATOM 983 NE2 GLN A 63 7.288 -7.619 12.943 1.00 24.31 N ATOM 0 H GLN A 63 7.728 -10.728 7.490 1.00 1.52 H new ATOM 0 HA GLN A 63 6.663 -8.074 8.038 1.00 51.33 H new ATOM 0 HB2 GLN A 63 6.785 -9.796 9.832 1.00 42.03 H new ATOM 0 HB3 GLN A 63 8.527 -9.871 9.659 1.00 42.03 H new ATOM 0 HG2 GLN A 63 8.764 -7.551 10.430 1.00 3.14 H new ATOM 0 HG3 GLN A 63 7.026 -7.329 10.438 1.00 3.14 H new ATOM 0 HE21 GLN A 63 6.962 -6.708 12.620 1.00 24.31 H new ATOM 0 HE22 GLN A 63 7.245 -7.854 13.935 1.00 24.31 H new ATOM 992 N ASN A 64 9.842 -8.518 7.186 1.00 35.31 N ATOM 993 CA ASN A 64 11.105 -7.804 6.852 1.00 22.55 C ATOM 994 C ASN A 64 10.864 -6.665 5.851 1.00 32.20 C ATOM 995 O ASN A 64 11.279 -5.548 6.107 1.00 62.24 O ATOM 996 CB ASN A 64 12.217 -8.767 6.332 1.00 54.43 C ATOM 997 CG ASN A 64 12.811 -9.665 7.429 1.00 0.43 C ATOM 998 OD1 ASN A 64 12.813 -9.312 8.611 1.00 5.12 O ATOM 999 ND2 ASN A 64 13.338 -10.821 7.047 1.00 44.03 N ATOM 0 H ASN A 64 9.862 -9.518 6.988 1.00 35.31 H new ATOM 0 HA ASN A 64 11.464 -7.369 7.785 1.00 22.55 H new ATOM 0 HB2 ASN A 64 11.803 -9.395 5.543 1.00 54.43 H new ATOM 0 HB3 ASN A 64 13.017 -8.178 5.883 1.00 54.43 H new ATOM 0 HD21 ASN A 64 13.758 -11.443 7.738 1.00 44.03 H new ATOM 0 HD22 ASN A 64 13.323 -11.088 6.063 1.00 44.03 H new ATOM 1006 N ASP A 65 10.139 -6.952 4.755 1.00 4.02 N ATOM 1007 CA ASP A 65 9.811 -5.944 3.710 1.00 70.12 C ATOM 1008 C ASP A 65 8.933 -4.790 4.260 1.00 20.13 C ATOM 1009 O ASP A 65 9.040 -3.658 3.789 1.00 12.11 O ATOM 1010 CB ASP A 65 9.123 -6.619 2.496 1.00 14.13 C ATOM 1011 CG ASP A 65 7.928 -7.495 2.903 1.00 43.01 C ATOM 1012 OD1 ASP A 65 6.803 -6.973 3.036 1.00 41.14 O ATOM 1013 OD2 ASP A 65 8.130 -8.716 3.110 1.00 64.42 O ATOM 0 H ASP A 65 9.763 -7.880 4.562 1.00 4.02 H new ATOM 0 HA ASP A 65 10.753 -5.504 3.384 1.00 70.12 H new ATOM 0 HB2 ASP A 65 8.785 -5.850 1.802 1.00 14.13 H new ATOM 0 HB3 ASP A 65 9.852 -7.230 1.964 1.00 14.13 H new ATOM 1018 N VAL A 66 8.068 -5.101 5.248 1.00 42.23 N ATOM 1019 CA VAL A 66 7.252 -4.097 5.971 1.00 24.32 C ATOM 1020 C VAL A 66 8.149 -3.195 6.835 1.00 22.54 C ATOM 1021 O VAL A 66 7.956 -1.977 6.868 1.00 44.23 O ATOM 1022 CB VAL A 66 6.158 -4.803 6.858 1.00 61.44 C ATOM 1023 CG1 VAL A 66 5.390 -3.813 7.775 1.00 64.11 C ATOM 1024 CG2 VAL A 66 5.187 -5.590 5.954 1.00 4.43 C ATOM 0 H VAL A 66 7.914 -6.057 5.569 1.00 42.23 H new ATOM 0 HA VAL A 66 6.744 -3.474 5.235 1.00 24.32 H new ATOM 0 HB VAL A 66 6.673 -5.493 7.527 1.00 61.44 H new ATOM 0 HG11 VAL A 66 4.650 -4.359 8.361 1.00 64.11 H new ATOM 0 HG12 VAL A 66 6.093 -3.319 8.446 1.00 64.11 H new ATOM 0 HG13 VAL A 66 4.887 -3.065 7.162 1.00 64.11 H new ATOM 0 HG21 VAL A 66 4.431 -6.078 6.570 1.00 4.43 H new ATOM 0 HG22 VAL A 66 4.702 -4.905 5.258 1.00 4.43 H new ATOM 0 HG23 VAL A 66 5.741 -6.344 5.395 1.00 4.43 H new ATOM 1034 N ASN A 67 9.151 -3.811 7.500 1.00 74.23 N ATOM 1035 CA ASN A 67 10.151 -3.087 8.307 1.00 24.45 C ATOM 1036 C ASN A 67 10.911 -2.116 7.401 1.00 25.45 C ATOM 1037 O ASN A 67 11.034 -0.936 7.724 1.00 2.30 O ATOM 1038 CB ASN A 67 11.156 -4.060 8.998 1.00 44.53 C ATOM 1039 CG ASN A 67 10.502 -5.071 9.946 1.00 54.51 C ATOM 1040 OD1 ASN A 67 9.472 -4.801 10.568 1.00 14.03 O ATOM 1041 ND2 ASN A 67 11.096 -6.249 10.059 1.00 34.00 N ATOM 0 H ASN A 67 9.287 -4.822 7.491 1.00 74.23 H new ATOM 0 HA ASN A 67 9.628 -2.544 9.094 1.00 24.45 H new ATOM 0 HB2 ASN A 67 11.705 -4.603 8.229 1.00 44.53 H new ATOM 0 HB3 ASN A 67 11.885 -3.474 9.557 1.00 44.53 H new ATOM 0 HD21 ASN A 67 10.702 -6.962 10.673 1.00 34.00 H new ATOM 0 HD22 ASN A 67 11.947 -6.444 9.532 1.00 34.00 H new ATOM 1048 N GLU A 68 11.339 -2.628 6.220 1.00 61.54 N ATOM 1049 CA GLU A 68 12.074 -1.843 5.224 1.00 14.21 C ATOM 1050 C GLU A 68 11.196 -0.700 4.703 1.00 70.10 C ATOM 1051 O GLU A 68 11.672 0.403 4.560 1.00 65.52 O ATOM 1052 CB GLU A 68 12.565 -2.714 4.027 1.00 40.05 C ATOM 1053 CG GLU A 68 13.320 -4.009 4.396 1.00 41.43 C ATOM 1054 CD GLU A 68 14.426 -3.835 5.458 1.00 64.40 C ATOM 1055 OE1 GLU A 68 15.577 -3.491 5.096 1.00 33.14 O ATOM 1056 OE2 GLU A 68 14.156 -4.051 6.662 1.00 41.25 O ATOM 0 H GLU A 68 11.179 -3.596 5.942 1.00 61.54 H new ATOM 0 HA GLU A 68 12.956 -1.439 5.721 1.00 14.21 H new ATOM 0 HB2 GLU A 68 11.700 -2.982 3.420 1.00 40.05 H new ATOM 0 HB3 GLU A 68 13.216 -2.103 3.402 1.00 40.05 H new ATOM 0 HG2 GLU A 68 12.599 -4.742 4.759 1.00 41.43 H new ATOM 0 HG3 GLU A 68 13.766 -4.422 3.492 1.00 41.43 H new ATOM 1063 N PHE A 69 9.898 -0.980 4.461 1.00 25.41 N ATOM 1064 CA PHE A 69 8.948 0.013 3.916 1.00 33.10 C ATOM 1065 C PHE A 69 8.811 1.205 4.870 1.00 5.41 C ATOM 1066 O PHE A 69 8.893 2.363 4.461 1.00 33.55 O ATOM 1067 CB PHE A 69 7.557 -0.634 3.652 1.00 13.14 C ATOM 1068 CG PHE A 69 6.579 0.274 2.900 1.00 24.44 C ATOM 1069 CD1 PHE A 69 6.556 0.292 1.505 1.00 0.41 C ATOM 1070 CD2 PHE A 69 5.697 1.119 3.582 1.00 31.21 C ATOM 1071 CE1 PHE A 69 5.687 1.113 0.819 1.00 4.12 C ATOM 1072 CE2 PHE A 69 4.830 1.941 2.893 1.00 54.34 C ATOM 1073 CZ PHE A 69 4.826 1.939 1.512 1.00 23.21 C ATOM 0 H PHE A 69 9.481 -1.894 4.636 1.00 25.41 H new ATOM 0 HA PHE A 69 9.342 0.372 2.965 1.00 33.10 H new ATOM 0 HB2 PHE A 69 7.697 -1.552 3.081 1.00 13.14 H new ATOM 0 HB3 PHE A 69 7.113 -0.918 4.606 1.00 13.14 H new ATOM 0 HD1 PHE A 69 7.230 -0.347 0.954 1.00 0.41 H new ATOM 0 HD2 PHE A 69 5.695 1.128 4.662 1.00 31.21 H new ATOM 0 HE1 PHE A 69 5.680 1.110 -0.261 1.00 4.12 H new ATOM 0 HE2 PHE A 69 4.154 2.587 3.434 1.00 54.34 H new ATOM 0 HZ PHE A 69 4.148 2.585 0.974 1.00 23.21 H new ATOM 1083 N GLN A 70 8.634 0.881 6.154 1.00 42.45 N ATOM 1084 CA GLN A 70 8.489 1.872 7.218 1.00 33.41 C ATOM 1085 C GLN A 70 9.801 2.669 7.407 1.00 14.10 C ATOM 1086 O GLN A 70 9.759 3.881 7.612 1.00 22.50 O ATOM 1087 CB GLN A 70 8.058 1.168 8.531 1.00 71.03 C ATOM 1088 CG GLN A 70 6.697 0.437 8.446 1.00 42.50 C ATOM 1089 CD GLN A 70 6.298 -0.313 9.727 1.00 15.12 C ATOM 1090 OE1 GLN A 70 5.108 -0.427 10.043 1.00 22.31 O ATOM 1091 NE2 GLN A 70 7.271 -0.851 10.463 1.00 54.54 N ATOM 0 H GLN A 70 8.587 -0.083 6.484 1.00 42.45 H new ATOM 0 HA GLN A 70 7.714 2.586 6.939 1.00 33.41 H new ATOM 0 HB2 GLN A 70 8.827 0.448 8.812 1.00 71.03 H new ATOM 0 HB3 GLN A 70 8.009 1.910 9.328 1.00 71.03 H new ATOM 0 HG2 GLN A 70 5.921 1.165 8.209 1.00 42.50 H new ATOM 0 HG3 GLN A 70 6.731 -0.273 7.619 1.00 42.50 H new ATOM 0 HE21 GLN A 70 8.245 -0.742 10.179 1.00 54.54 H new ATOM 0 HE22 GLN A 70 7.042 -1.372 11.310 1.00 54.54 H new ATOM 1100 N ASN A 71 10.955 1.968 7.267 1.00 34.04 N ATOM 1101 CA ASN A 71 12.306 2.557 7.442 1.00 2.10 C ATOM 1102 C ASN A 71 12.637 3.537 6.312 1.00 61.03 C ATOM 1103 O ASN A 71 13.017 4.682 6.579 1.00 54.41 O ATOM 1104 CB ASN A 71 13.405 1.454 7.524 1.00 61.25 C ATOM 1105 CG ASN A 71 13.372 0.643 8.823 1.00 40.15 C ATOM 1106 OD1 ASN A 71 12.999 1.149 9.883 1.00 3.42 O ATOM 1107 ND2 ASN A 71 13.748 -0.623 8.749 1.00 62.40 N ATOM 0 H ASN A 71 10.974 0.976 7.029 1.00 34.04 H new ATOM 0 HA ASN A 71 12.294 3.103 8.385 1.00 2.10 H new ATOM 0 HB2 ASN A 71 13.288 0.775 6.680 1.00 61.25 H new ATOM 0 HB3 ASN A 71 14.384 1.922 7.424 1.00 61.25 H new ATOM 0 HD21 ASN A 71 13.734 -1.209 9.584 1.00 62.40 H new ATOM 0 HD22 ASN A 71 14.052 -1.013 7.857 1.00 62.40 H new ATOM 1114 N GLU A 72 12.487 3.080 5.050 1.00 34.12 N ATOM 1115 CA GLU A 72 12.812 3.888 3.861 1.00 61.11 C ATOM 1116 C GLU A 72 11.905 5.118 3.811 1.00 35.54 C ATOM 1117 O GLU A 72 12.358 6.205 3.479 1.00 12.53 O ATOM 1118 CB GLU A 72 12.712 3.083 2.527 1.00 45.13 C ATOM 1119 CG GLU A 72 13.497 1.746 2.482 1.00 21.21 C ATOM 1120 CD GLU A 72 14.900 1.800 3.126 1.00 33.22 C ATOM 1121 OE1 GLU A 72 15.831 2.369 2.516 1.00 51.31 O ATOM 1122 OE2 GLU A 72 15.084 1.272 4.243 1.00 54.21 O ATOM 0 H GLU A 72 12.139 2.147 4.831 1.00 34.12 H new ATOM 0 HA GLU A 72 13.853 4.196 3.956 1.00 61.11 H new ATOM 0 HB2 GLU A 72 11.661 2.872 2.331 1.00 45.13 H new ATOM 0 HB3 GLU A 72 13.067 3.718 1.715 1.00 45.13 H new ATOM 0 HG2 GLU A 72 12.910 0.978 2.986 1.00 21.21 H new ATOM 0 HG3 GLU A 72 13.601 1.436 1.442 1.00 21.21 H new ATOM 1129 N ALA A 73 10.633 4.937 4.193 1.00 22.31 N ATOM 1130 CA ALA A 73 9.667 6.033 4.256 1.00 22.11 C ATOM 1131 C ALA A 73 10.083 7.095 5.305 1.00 73.42 C ATOM 1132 O ALA A 73 10.180 8.274 4.969 1.00 3.40 O ATOM 1133 CB ALA A 73 8.262 5.483 4.516 1.00 54.20 C ATOM 0 H ALA A 73 10.251 4.031 4.465 1.00 22.31 H new ATOM 0 HA ALA A 73 9.653 6.541 3.292 1.00 22.11 H new ATOM 0 HB1 ALA A 73 7.551 6.308 4.561 1.00 54.20 H new ATOM 0 HB2 ALA A 73 7.981 4.806 3.709 1.00 54.20 H new ATOM 0 HB3 ALA A 73 8.252 4.943 5.463 1.00 54.20 H new ATOM 1139 N LYS A 74 10.397 6.663 6.552 1.00 55.11 N ATOM 1140 CA LYS A 74 10.712 7.605 7.661 1.00 4.42 C ATOM 1141 C LYS A 74 12.063 8.333 7.455 1.00 72.25 C ATOM 1142 O LYS A 74 12.205 9.489 7.864 1.00 34.11 O ATOM 1143 CB LYS A 74 10.612 6.915 9.074 1.00 21.43 C ATOM 1144 CG LYS A 74 11.549 5.704 9.356 1.00 52.51 C ATOM 1145 CD LYS A 74 13.005 6.060 9.775 1.00 62.13 C ATOM 1146 CE LYS A 74 13.088 6.840 11.101 1.00 14.53 C ATOM 1147 NZ LYS A 74 14.495 7.182 11.454 1.00 10.45 N ATOM 0 H LYS A 74 10.439 5.679 6.816 1.00 55.11 H new ATOM 0 HA LYS A 74 9.943 8.378 7.637 1.00 4.42 H new ATOM 0 HB2 LYS A 74 10.807 7.674 9.832 1.00 21.43 H new ATOM 0 HB3 LYS A 74 9.583 6.583 9.213 1.00 21.43 H new ATOM 0 HG2 LYS A 74 11.102 5.098 10.144 1.00 52.51 H new ATOM 0 HG3 LYS A 74 11.590 5.083 8.461 1.00 52.51 H new ATOM 0 HD2 LYS A 74 13.584 5.141 9.866 1.00 62.13 H new ATOM 0 HD3 LYS A 74 13.468 6.651 8.985 1.00 62.13 H new ATOM 0 HE2 LYS A 74 12.500 7.755 11.022 1.00 14.53 H new ATOM 0 HE3 LYS A 74 12.647 6.245 11.901 1.00 14.53 H new ATOM 0 HZ1 LYS A 74 14.510 7.706 12.352 1.00 10.45 H new ATOM 0 HZ2 LYS A 74 15.050 6.308 11.554 1.00 10.45 H new ATOM 0 HZ3 LYS A 74 14.908 7.771 10.703 1.00 10.45 H new ATOM 1161 N LYS A 75 13.043 7.663 6.802 1.00 14.50 N ATOM 1162 CA LYS A 75 14.387 8.258 6.566 1.00 2.13 C ATOM 1163 C LYS A 75 14.346 9.294 5.424 1.00 34.04 C ATOM 1164 O LYS A 75 15.144 10.237 5.406 1.00 53.23 O ATOM 1165 CB LYS A 75 15.464 7.159 6.283 1.00 13.32 C ATOM 1166 CG LYS A 75 15.312 6.415 4.939 1.00 11.51 C ATOM 1167 CD LYS A 75 16.340 5.269 4.728 1.00 64.21 C ATOM 1168 CE LYS A 75 16.285 4.177 5.817 1.00 44.22 C ATOM 1169 NZ LYS A 75 17.114 2.983 5.460 1.00 44.50 N ATOM 0 H LYS A 75 12.933 6.719 6.431 1.00 14.50 H new ATOM 0 HA LYS A 75 14.676 8.775 7.481 1.00 2.13 H new ATOM 0 HB2 LYS A 75 16.450 7.624 6.312 1.00 13.32 H new ATOM 0 HB3 LYS A 75 15.433 6.427 7.090 1.00 13.32 H new ATOM 0 HG2 LYS A 75 14.305 6.002 4.877 1.00 11.51 H new ATOM 0 HG3 LYS A 75 15.413 7.133 4.125 1.00 11.51 H new ATOM 0 HD2 LYS A 75 16.163 4.809 3.756 1.00 64.21 H new ATOM 0 HD3 LYS A 75 17.344 5.694 4.702 1.00 64.21 H new ATOM 0 HE2 LYS A 75 16.635 4.591 6.763 1.00 44.22 H new ATOM 0 HE3 LYS A 75 15.251 3.868 5.968 1.00 44.22 H new ATOM 0 HZ1 LYS A 75 17.593 2.626 6.311 1.00 44.50 H new ATOM 0 HZ2 LYS A 75 16.501 2.239 5.069 1.00 44.50 H new ATOM 0 HZ3 LYS A 75 17.825 3.253 4.751 1.00 44.50 H new ATOM 1183 N GLU A 76 13.412 9.099 4.470 1.00 44.01 N ATOM 1184 CA GLU A 76 13.181 10.046 3.365 1.00 23.22 C ATOM 1185 C GLU A 76 12.290 11.224 3.822 1.00 30.10 C ATOM 1186 O GLU A 76 12.428 12.347 3.322 1.00 72.23 O ATOM 1187 CB GLU A 76 12.525 9.323 2.163 1.00 34.31 C ATOM 1188 CG GLU A 76 13.395 8.244 1.476 1.00 35.20 C ATOM 1189 CD GLU A 76 14.751 8.754 0.958 1.00 43.50 C ATOM 1190 OE1 GLU A 76 14.780 9.812 0.284 1.00 33.31 O ATOM 1191 OE2 GLU A 76 15.788 8.090 1.185 1.00 54.32 O ATOM 0 H GLU A 76 12.800 8.283 4.446 1.00 44.01 H new ATOM 0 HA GLU A 76 14.147 10.445 3.056 1.00 23.22 H new ATOM 0 HB2 GLU A 76 11.601 8.856 2.503 1.00 34.31 H new ATOM 0 HB3 GLU A 76 12.250 10.070 1.419 1.00 34.31 H new ATOM 0 HG2 GLU A 76 13.572 7.433 2.183 1.00 35.20 H new ATOM 0 HG3 GLU A 76 12.836 7.822 0.641 1.00 35.20 H new ATOM 1198 N GLY A 77 11.374 10.951 4.773 1.00 42.53 N ATOM 1199 CA GLY A 77 10.426 11.954 5.279 1.00 21.34 C ATOM 1200 C GLY A 77 9.058 11.852 4.607 1.00 73.33 C ATOM 1201 O GLY A 77 8.488 12.855 4.165 1.00 50.02 O ATOM 0 H GLY A 77 11.274 10.034 5.207 1.00 42.53 H new ATOM 0 HA2 GLY A 77 10.309 11.829 6.356 1.00 21.34 H new ATOM 0 HA3 GLY A 77 10.835 12.951 5.116 1.00 21.34 H new ATOM 1205 N VAL A 78 8.552 10.615 4.514 1.00 1.14 N ATOM 1206 CA VAL A 78 7.223 10.289 3.959 1.00 71.00 C ATOM 1207 C VAL A 78 6.277 9.980 5.127 1.00 42.22 C ATOM 1208 O VAL A 78 6.548 9.045 5.896 1.00 34.13 O ATOM 1209 CB VAL A 78 7.288 9.022 3.007 1.00 22.40 C ATOM 1210 CG1 VAL A 78 5.900 8.661 2.417 1.00 12.33 C ATOM 1211 CG2 VAL A 78 8.336 9.207 1.887 1.00 71.54 C ATOM 0 H VAL A 78 9.064 9.791 4.829 1.00 1.14 H new ATOM 0 HA VAL A 78 6.869 11.138 3.374 1.00 71.00 H new ATOM 0 HB VAL A 78 7.604 8.182 3.626 1.00 22.40 H new ATOM 0 HG11 VAL A 78 5.995 7.787 1.772 1.00 12.33 H new ATOM 0 HG12 VAL A 78 5.206 8.440 3.228 1.00 12.33 H new ATOM 0 HG13 VAL A 78 5.522 9.502 1.836 1.00 12.33 H new ATOM 0 HG21 VAL A 78 8.353 8.320 1.254 1.00 71.54 H new ATOM 0 HG22 VAL A 78 8.075 10.077 1.285 1.00 71.54 H new ATOM 0 HG23 VAL A 78 9.321 9.355 2.331 1.00 71.54 H new ATOM 1221 N SER A 79 5.193 10.768 5.282 1.00 32.10 N ATOM 1222 CA SER A 79 4.151 10.474 6.282 1.00 13.34 C ATOM 1223 C SER A 79 3.310 9.285 5.783 1.00 21.24 C ATOM 1224 O SER A 79 2.336 9.461 5.057 1.00 51.42 O ATOM 1225 CB SER A 79 3.275 11.727 6.538 1.00 34.42 C ATOM 1226 OG SER A 79 4.054 12.782 7.076 1.00 25.24 O ATOM 0 H SER A 79 5.019 11.608 4.730 1.00 32.10 H new ATOM 0 HA SER A 79 4.610 10.206 7.234 1.00 13.34 H new ATOM 0 HB2 SER A 79 2.812 12.049 5.606 1.00 34.42 H new ATOM 0 HB3 SER A 79 2.467 11.478 7.226 1.00 34.42 H new ATOM 0 HG SER A 79 3.484 13.564 7.229 1.00 25.24 H new ATOM 1232 N TYR A 80 3.735 8.071 6.153 1.00 72.14 N ATOM 1233 CA TYR A 80 3.117 6.815 5.690 1.00 54.43 C ATOM 1234 C TYR A 80 2.033 6.350 6.673 1.00 22.03 C ATOM 1235 O TYR A 80 1.952 6.832 7.810 1.00 55.52 O ATOM 1236 CB TYR A 80 4.208 5.717 5.487 1.00 53.41 C ATOM 1237 CG TYR A 80 4.996 5.321 6.748 1.00 12.23 C ATOM 1238 CD1 TYR A 80 6.119 6.046 7.160 1.00 12.05 C ATOM 1239 CD2 TYR A 80 4.620 4.220 7.523 1.00 61.23 C ATOM 1240 CE1 TYR A 80 6.830 5.692 8.286 1.00 60.12 C ATOM 1241 CE2 TYR A 80 5.328 3.870 8.651 1.00 73.54 C ATOM 1242 CZ TYR A 80 6.431 4.608 9.030 1.00 61.20 C ATOM 1243 OH TYR A 80 7.139 4.258 10.159 1.00 33.54 O ATOM 0 H TYR A 80 4.522 7.928 6.786 1.00 72.14 H new ATOM 0 HA TYR A 80 2.636 6.995 4.728 1.00 54.43 H new ATOM 0 HB2 TYR A 80 3.729 4.824 5.085 1.00 53.41 H new ATOM 0 HB3 TYR A 80 4.914 6.067 4.734 1.00 53.41 H new ATOM 0 HD1 TYR A 80 6.436 6.902 6.583 1.00 12.05 H new ATOM 0 HD2 TYR A 80 3.760 3.634 7.232 1.00 61.23 H new ATOM 0 HE1 TYR A 80 7.697 6.264 8.582 1.00 60.12 H new ATOM 0 HE2 TYR A 80 5.020 3.018 9.239 1.00 73.54 H new ATOM 0 HH TYR A 80 6.727 3.470 10.572 1.00 33.54 H new ATOM 1253 N ASP A 81 1.216 5.403 6.219 1.00 65.12 N ATOM 1254 CA ASP A 81 0.113 4.821 7.001 1.00 22.54 C ATOM 1255 C ASP A 81 0.087 3.319 6.721 1.00 20.33 C ATOM 1256 O ASP A 81 0.395 2.908 5.600 1.00 71.04 O ATOM 1257 CB ASP A 81 -1.228 5.485 6.594 1.00 20.34 C ATOM 1258 CG ASP A 81 -2.404 5.094 7.499 1.00 31.41 C ATOM 1259 OD1 ASP A 81 -2.394 5.477 8.688 1.00 74.35 O ATOM 1260 OD2 ASP A 81 -3.342 4.423 7.027 1.00 23.32 O ATOM 0 H ASP A 81 1.298 5.007 5.282 1.00 65.12 H new ATOM 0 HA ASP A 81 0.258 4.995 8.067 1.00 22.54 H new ATOM 0 HB2 ASP A 81 -1.109 6.568 6.614 1.00 20.34 H new ATOM 0 HB3 ASP A 81 -1.464 5.209 5.566 1.00 20.34 H new ATOM 1265 N VAL A 82 -0.239 2.499 7.736 1.00 44.41 N ATOM 1266 CA VAL A 82 -0.238 1.023 7.607 1.00 52.35 C ATOM 1267 C VAL A 82 -1.614 0.470 8.046 1.00 63.22 C ATOM 1268 O VAL A 82 -2.223 0.981 8.991 1.00 74.24 O ATOM 1269 CB VAL A 82 0.928 0.351 8.444 1.00 12.51 C ATOM 1270 CG1 VAL A 82 1.047 -1.154 8.121 1.00 45.42 C ATOM 1271 CG2 VAL A 82 2.291 1.065 8.223 1.00 53.05 C ATOM 0 H VAL A 82 -0.509 2.832 8.662 1.00 44.41 H new ATOM 0 HA VAL A 82 -0.058 0.773 6.561 1.00 52.35 H new ATOM 0 HB VAL A 82 0.667 0.460 9.497 1.00 12.51 H new ATOM 0 HG11 VAL A 82 1.855 -1.590 8.709 1.00 45.42 H new ATOM 0 HG12 VAL A 82 0.110 -1.654 8.365 1.00 45.42 H new ATOM 0 HG13 VAL A 82 1.261 -1.283 7.060 1.00 45.42 H new ATOM 0 HG21 VAL A 82 3.061 0.571 8.816 1.00 53.05 H new ATOM 0 HG22 VAL A 82 2.560 1.018 7.168 1.00 53.05 H new ATOM 0 HG23 VAL A 82 2.210 2.108 8.530 1.00 53.05 H new ATOM 1281 N LEU A 83 -2.086 -0.572 7.343 1.00 1.14 N ATOM 1282 CA LEU A 83 -3.444 -1.124 7.487 1.00 22.54 C ATOM 1283 C LEU A 83 -3.392 -2.664 7.495 1.00 15.14 C ATOM 1284 O LEU A 83 -3.211 -3.283 6.449 1.00 14.31 O ATOM 1285 CB LEU A 83 -4.314 -0.596 6.306 1.00 12.20 C ATOM 1286 CG LEU A 83 -5.787 -1.112 6.205 1.00 42.15 C ATOM 1287 CD1 LEU A 83 -6.647 -0.671 7.410 1.00 4.41 C ATOM 1288 CD2 LEU A 83 -6.412 -0.672 4.863 1.00 21.45 C ATOM 0 H LEU A 83 -1.526 -1.063 6.647 1.00 1.14 H new ATOM 0 HA LEU A 83 -3.886 -0.806 8.431 1.00 22.54 H new ATOM 0 HB2 LEU A 83 -4.343 0.492 6.370 1.00 12.20 H new ATOM 0 HB3 LEU A 83 -3.805 -0.847 5.375 1.00 12.20 H new ATOM 0 HG LEU A 83 -5.763 -2.201 6.234 1.00 42.15 H new ATOM 0 HD11 LEU A 83 -7.661 -1.054 7.293 1.00 4.41 H new ATOM 0 HD12 LEU A 83 -6.214 -1.065 8.330 1.00 4.41 H new ATOM 0 HD13 LEU A 83 -6.674 0.418 7.459 1.00 4.41 H new ATOM 0 HD21 LEU A 83 -7.438 -1.036 4.802 1.00 21.45 H new ATOM 0 HD22 LEU A 83 -6.409 0.416 4.800 1.00 21.45 H new ATOM 0 HD23 LEU A 83 -5.831 -1.085 4.038 1.00 21.45 H new ATOM 1300 N LYS A 84 -3.507 -3.281 8.682 1.00 52.51 N ATOM 1301 CA LYS A 84 -3.581 -4.755 8.820 1.00 13.53 C ATOM 1302 C LYS A 84 -5.053 -5.184 8.974 1.00 1.32 C ATOM 1303 O LYS A 84 -5.702 -4.865 9.973 1.00 21.12 O ATOM 1304 CB LYS A 84 -2.731 -5.276 10.026 1.00 3.32 C ATOM 1305 CG LYS A 84 -1.208 -5.389 9.762 1.00 1.01 C ATOM 1306 CD LYS A 84 -0.522 -4.033 9.535 1.00 0.14 C ATOM 1307 CE LYS A 84 -0.558 -3.108 10.764 1.00 3.05 C ATOM 1308 NZ LYS A 84 0.103 -3.713 11.954 1.00 43.45 N ATOM 0 H LYS A 84 -3.552 -2.782 9.570 1.00 52.51 H new ATOM 0 HA LYS A 84 -3.161 -5.199 7.918 1.00 13.53 H new ATOM 0 HB2 LYS A 84 -2.888 -4.610 10.874 1.00 3.32 H new ATOM 0 HB3 LYS A 84 -3.107 -6.257 10.317 1.00 3.32 H new ATOM 0 HG2 LYS A 84 -0.737 -5.888 10.609 1.00 1.01 H new ATOM 0 HG3 LYS A 84 -1.045 -6.020 8.889 1.00 1.01 H new ATOM 0 HD2 LYS A 84 0.516 -4.204 9.250 1.00 0.14 H new ATOM 0 HD3 LYS A 84 -1.003 -3.528 8.697 1.00 0.14 H new ATOM 0 HE2 LYS A 84 -0.067 -2.166 10.520 1.00 3.05 H new ATOM 0 HE3 LYS A 84 -1.594 -2.874 11.008 1.00 3.05 H new ATOM 0 HZ1 LYS A 84 0.157 -3.008 12.717 1.00 43.45 H new ATOM 0 HZ2 LYS A 84 -0.449 -4.533 12.278 1.00 43.45 H new ATOM 0 HZ3 LYS A 84 1.063 -4.021 11.699 1.00 43.45 H new ATOM 1322 N SER A 85 -5.551 -5.901 7.961 1.00 64.13 N ATOM 1323 CA SER A 85 -6.936 -6.402 7.895 1.00 61.44 C ATOM 1324 C SER A 85 -6.993 -7.563 6.887 1.00 32.45 C ATOM 1325 O SER A 85 -6.030 -7.795 6.166 1.00 32.10 O ATOM 1326 CB SER A 85 -7.890 -5.250 7.480 1.00 41.15 C ATOM 1327 OG SER A 85 -9.204 -5.712 7.204 1.00 20.05 O ATOM 0 H SER A 85 -4.994 -6.157 7.145 1.00 64.13 H new ATOM 0 HA SER A 85 -7.256 -6.766 8.871 1.00 61.44 H new ATOM 0 HB2 SER A 85 -7.928 -4.508 8.277 1.00 41.15 H new ATOM 0 HB3 SER A 85 -7.490 -4.750 6.598 1.00 41.15 H new ATOM 0 HG SER A 85 -9.857 -5.075 7.562 1.00 20.05 H new ATOM 1333 N THR A 86 -8.113 -8.305 6.865 1.00 33.34 N ATOM 1334 CA THR A 86 -8.385 -9.364 5.859 1.00 12.01 C ATOM 1335 C THR A 86 -9.846 -9.261 5.380 1.00 74.42 C ATOM 1336 O THR A 86 -10.375 -10.182 4.751 1.00 63.51 O ATOM 1337 CB THR A 86 -8.097 -10.803 6.429 1.00 10.41 C ATOM 1338 OG1 THR A 86 -8.797 -10.983 7.671 1.00 54.53 O ATOM 1339 CG2 THR A 86 -6.591 -11.064 6.642 1.00 64.21 C ATOM 0 H THR A 86 -8.864 -8.192 7.546 1.00 33.34 H new ATOM 0 HA THR A 86 -7.711 -9.208 5.016 1.00 12.01 H new ATOM 0 HB THR A 86 -8.451 -11.520 5.688 1.00 10.41 H new ATOM 0 HG1 THR A 86 -8.616 -11.880 8.021 1.00 54.53 H new ATOM 0 HG21 THR A 86 -6.448 -12.070 7.036 1.00 64.21 H new ATOM 0 HG22 THR A 86 -6.067 -10.969 5.691 1.00 64.21 H new ATOM 0 HG23 THR A 86 -6.192 -10.337 7.350 1.00 64.21 H new ATOM 1347 N ASP A 87 -10.479 -8.106 5.673 1.00 10.24 N ATOM 1348 CA ASP A 87 -11.876 -7.824 5.318 1.00 52.23 C ATOM 1349 C ASP A 87 -11.895 -7.133 3.936 1.00 64.21 C ATOM 1350 O ASP A 87 -11.481 -5.975 3.838 1.00 60.45 O ATOM 1351 CB ASP A 87 -12.526 -6.897 6.388 1.00 51.11 C ATOM 1352 CG ASP A 87 -12.413 -7.435 7.822 1.00 40.22 C ATOM 1353 OD1 ASP A 87 -11.366 -7.210 8.468 1.00 63.20 O ATOM 1354 OD2 ASP A 87 -13.372 -8.063 8.321 1.00 51.20 O ATOM 0 H ASP A 87 -10.025 -7.338 6.168 1.00 10.24 H new ATOM 0 HA ASP A 87 -12.446 -8.753 5.281 1.00 52.23 H new ATOM 0 HB2 ASP A 87 -12.055 -5.915 6.340 1.00 51.11 H new ATOM 0 HB3 ASP A 87 -13.579 -6.758 6.144 1.00 51.11 H new ATOM 1359 N PRO A 88 -12.364 -7.820 2.844 1.00 52.30 N ATOM 1360 CA PRO A 88 -12.289 -7.275 1.460 1.00 11.43 C ATOM 1361 C PRO A 88 -13.129 -5.989 1.277 1.00 31.14 C ATOM 1362 O PRO A 88 -12.674 -5.029 0.640 1.00 12.11 O ATOM 1363 CB PRO A 88 -12.797 -8.449 0.577 1.00 50.11 C ATOM 1364 CG PRO A 88 -13.638 -9.284 1.496 1.00 74.22 C ATOM 1365 CD PRO A 88 -12.993 -9.171 2.864 1.00 13.15 C ATOM 0 HA PRO A 88 -11.281 -6.957 1.194 1.00 11.43 H new ATOM 0 HB2 PRO A 88 -13.379 -8.084 -0.269 1.00 50.11 H new ATOM 0 HB3 PRO A 88 -11.967 -9.025 0.168 1.00 50.11 H new ATOM 0 HG2 PRO A 88 -14.667 -8.925 1.518 1.00 74.22 H new ATOM 0 HG3 PRO A 88 -13.669 -10.321 1.163 1.00 74.22 H new ATOM 0 HD2 PRO A 88 -13.729 -9.259 3.663 1.00 13.15 H new ATOM 0 HD3 PRO A 88 -12.253 -9.955 3.025 1.00 13.15 H new ATOM 1373 N GLU A 89 -14.337 -5.969 1.884 1.00 22.22 N ATOM 1374 CA GLU A 89 -15.238 -4.802 1.833 1.00 64.52 C ATOM 1375 C GLU A 89 -14.587 -3.576 2.523 1.00 43.11 C ATOM 1376 O GLU A 89 -14.707 -2.439 2.036 1.00 72.33 O ATOM 1377 CB GLU A 89 -16.618 -5.138 2.476 1.00 1.30 C ATOM 1378 CG GLU A 89 -16.573 -5.497 3.977 1.00 45.43 C ATOM 1379 CD GLU A 89 -17.968 -5.727 4.589 1.00 34.44 C ATOM 1380 OE1 GLU A 89 -18.528 -6.829 4.408 1.00 3.02 O ATOM 1381 OE2 GLU A 89 -18.499 -4.806 5.249 1.00 1.00 O ATOM 0 H GLU A 89 -14.709 -6.755 2.417 1.00 22.22 H new ATOM 0 HA GLU A 89 -15.409 -4.549 0.787 1.00 64.52 H new ATOM 0 HB2 GLU A 89 -17.281 -4.283 2.343 1.00 1.30 H new ATOM 0 HB3 GLU A 89 -17.061 -5.972 1.932 1.00 1.30 H new ATOM 0 HG2 GLU A 89 -15.972 -6.396 4.111 1.00 45.43 H new ATOM 0 HG3 GLU A 89 -16.073 -4.696 4.521 1.00 45.43 H new ATOM 1388 N GLU A 90 -13.851 -3.842 3.635 1.00 62.13 N ATOM 1389 CA GLU A 90 -13.183 -2.800 4.420 1.00 75.22 C ATOM 1390 C GLU A 90 -12.033 -2.195 3.629 1.00 4.10 C ATOM 1391 O GLU A 90 -12.009 -0.991 3.424 1.00 53.44 O ATOM 1392 CB GLU A 90 -12.673 -3.317 5.788 1.00 75.45 C ATOM 1393 CG GLU A 90 -11.805 -2.282 6.556 1.00 44.31 C ATOM 1394 CD GLU A 90 -11.582 -2.599 8.034 1.00 71.41 C ATOM 1395 OE1 GLU A 90 -11.037 -3.674 8.344 1.00 43.43 O ATOM 1396 OE2 GLU A 90 -11.924 -1.756 8.896 1.00 11.23 O ATOM 0 H GLU A 90 -13.712 -4.784 4.001 1.00 62.13 H new ATOM 0 HA GLU A 90 -13.930 -2.033 4.624 1.00 75.22 H new ATOM 0 HB2 GLU A 90 -13.528 -3.592 6.405 1.00 75.45 H new ATOM 0 HB3 GLU A 90 -12.089 -4.224 5.630 1.00 75.45 H new ATOM 0 HG2 GLU A 90 -10.835 -2.208 6.065 1.00 44.31 H new ATOM 0 HG3 GLU A 90 -12.278 -1.303 6.477 1.00 44.31 H new ATOM 1403 N LEU A 91 -11.107 -3.056 3.163 1.00 54.53 N ATOM 1404 CA LEU A 91 -9.909 -2.623 2.419 1.00 50.24 C ATOM 1405 C LEU A 91 -10.301 -1.738 1.215 1.00 52.10 C ATOM 1406 O LEU A 91 -9.654 -0.727 0.957 1.00 21.33 O ATOM 1407 CB LEU A 91 -9.082 -3.850 1.956 1.00 14.30 C ATOM 1408 CG LEU A 91 -8.507 -4.780 3.069 1.00 1.41 C ATOM 1409 CD1 LEU A 91 -7.769 -5.974 2.444 1.00 34.41 C ATOM 1410 CD2 LEU A 91 -7.592 -4.009 4.040 1.00 34.05 C ATOM 0 H LEU A 91 -11.168 -4.066 3.291 1.00 54.53 H new ATOM 0 HA LEU A 91 -9.288 -2.026 3.088 1.00 50.24 H new ATOM 0 HB2 LEU A 91 -9.710 -4.454 1.302 1.00 14.30 H new ATOM 0 HB3 LEU A 91 -8.249 -3.489 1.353 1.00 14.30 H new ATOM 0 HG LEU A 91 -9.346 -5.160 3.652 1.00 1.41 H new ATOM 0 HD11 LEU A 91 -7.374 -6.612 3.235 1.00 34.41 H new ATOM 0 HD12 LEU A 91 -8.461 -6.547 1.827 1.00 34.41 H new ATOM 0 HD13 LEU A 91 -6.947 -5.611 1.827 1.00 34.41 H new ATOM 0 HD21 LEU A 91 -7.211 -4.691 4.800 1.00 34.05 H new ATOM 0 HD22 LEU A 91 -6.757 -3.578 3.488 1.00 34.05 H new ATOM 0 HD23 LEU A 91 -8.160 -3.212 4.519 1.00 34.05 H new ATOM 1422 N THR A 92 -11.399 -2.120 0.526 1.00 21.10 N ATOM 1423 CA THR A 92 -11.954 -1.361 -0.608 1.00 24.11 C ATOM 1424 C THR A 92 -12.426 0.052 -0.173 1.00 50.42 C ATOM 1425 O THR A 92 -12.075 1.057 -0.826 1.00 63.13 O ATOM 1426 CB THR A 92 -13.111 -2.155 -1.298 1.00 15.02 C ATOM 1427 OG1 THR A 92 -12.591 -3.406 -1.778 1.00 33.21 O ATOM 1428 CG2 THR A 92 -13.759 -1.392 -2.478 1.00 13.20 C ATOM 0 H THR A 92 -11.924 -2.967 0.744 1.00 21.10 H new ATOM 0 HA THR A 92 -11.155 -1.226 -1.337 1.00 24.11 H new ATOM 0 HB THR A 92 -13.890 -2.304 -0.550 1.00 15.02 H new ATOM 0 HG1 THR A 92 -12.610 -4.067 -1.055 1.00 33.21 H new ATOM 0 HG21 THR A 92 -14.554 -1.999 -2.911 1.00 13.20 H new ATOM 0 HG22 THR A 92 -14.176 -0.452 -2.118 1.00 13.20 H new ATOM 0 HG23 THR A 92 -13.004 -1.187 -3.237 1.00 13.20 H new ATOM 1436 N GLN A 93 -13.199 0.142 0.944 1.00 33.41 N ATOM 1437 CA GLN A 93 -13.657 1.449 1.462 1.00 74.35 C ATOM 1438 C GLN A 93 -12.504 2.249 2.105 1.00 63.10 C ATOM 1439 O GLN A 93 -12.584 3.464 2.196 1.00 42.11 O ATOM 1440 CB GLN A 93 -14.915 1.336 2.399 1.00 33.01 C ATOM 1441 CG GLN A 93 -14.797 0.521 3.717 1.00 14.34 C ATOM 1442 CD GLN A 93 -14.010 1.168 4.874 1.00 4.12 C ATOM 1443 OE1 GLN A 93 -13.431 0.472 5.711 1.00 13.45 O ATOM 1444 NE2 GLN A 93 -13.995 2.489 4.957 1.00 2.33 N ATOM 0 H GLN A 93 -13.510 -0.662 1.490 1.00 33.41 H new ATOM 0 HA GLN A 93 -13.993 2.021 0.597 1.00 74.35 H new ATOM 0 HB2 GLN A 93 -15.221 2.348 2.663 1.00 33.01 H new ATOM 0 HB3 GLN A 93 -15.725 0.901 1.813 1.00 33.01 H new ATOM 0 HG2 GLN A 93 -15.804 0.305 4.072 1.00 14.34 H new ATOM 0 HG3 GLN A 93 -14.329 -0.435 3.483 1.00 14.34 H new ATOM 0 HE21 GLN A 93 -14.479 3.050 4.256 1.00 2.33 H new ATOM 0 HE22 GLN A 93 -13.499 2.946 5.722 1.00 2.33 H new ATOM 1453 N ARG A 94 -11.418 1.563 2.509 1.00 3.35 N ATOM 1454 CA ARG A 94 -10.223 2.222 3.081 1.00 14.20 C ATOM 1455 C ARG A 94 -9.416 2.929 1.987 1.00 75.43 C ATOM 1456 O ARG A 94 -8.856 3.999 2.231 1.00 23.34 O ATOM 1457 CB ARG A 94 -9.318 1.202 3.821 1.00 1.31 C ATOM 1458 CG ARG A 94 -9.900 0.627 5.129 1.00 2.14 C ATOM 1459 CD ARG A 94 -10.153 1.689 6.213 1.00 64.30 C ATOM 1460 NE ARG A 94 -10.553 1.070 7.488 1.00 45.14 N ATOM 1461 CZ ARG A 94 -10.586 1.693 8.675 1.00 24.03 C ATOM 1462 NH1 ARG A 94 -10.265 2.987 8.787 1.00 33.23 N ATOM 1463 NH2 ARG A 94 -10.938 1.010 9.750 1.00 24.32 N ATOM 0 H ARG A 94 -11.342 0.548 2.450 1.00 3.35 H new ATOM 0 HA ARG A 94 -10.572 2.962 3.801 1.00 14.20 H new ATOM 0 HB2 ARG A 94 -9.103 0.375 3.144 1.00 1.31 H new ATOM 0 HB3 ARG A 94 -8.367 1.684 4.047 1.00 1.31 H new ATOM 0 HG2 ARG A 94 -10.838 0.118 4.906 1.00 2.14 H new ATOM 0 HG3 ARG A 94 -9.215 -0.124 5.522 1.00 2.14 H new ATOM 0 HD2 ARG A 94 -9.250 2.282 6.362 1.00 64.30 H new ATOM 0 HD3 ARG A 94 -10.932 2.374 5.879 1.00 64.30 H new ATOM 0 HE ARG A 94 -10.827 0.088 7.466 1.00 45.14 H new ATOM 0 HH11 ARG A 94 -9.989 3.517 7.961 1.00 33.23 H new ATOM 0 HH12 ARG A 94 -10.296 3.443 9.699 1.00 33.23 H new ATOM 0 HH21 ARG A 94 -11.180 0.022 9.670 1.00 24.32 H new ATOM 0 HH22 ARG A 94 -10.968 1.470 10.660 1.00 24.32 H new ATOM 1477 N VAL A 95 -9.351 2.309 0.785 1.00 35.24 N ATOM 1478 CA VAL A 95 -8.657 2.898 -0.375 1.00 63.12 C ATOM 1479 C VAL A 95 -9.347 4.220 -0.784 1.00 51.55 C ATOM 1480 O VAL A 95 -8.679 5.239 -0.930 1.00 65.01 O ATOM 1481 CB VAL A 95 -8.573 1.899 -1.605 1.00 61.31 C ATOM 1482 CG1 VAL A 95 -7.899 2.554 -2.838 1.00 52.33 C ATOM 1483 CG2 VAL A 95 -7.826 0.596 -1.227 1.00 33.43 C ATOM 0 H VAL A 95 -9.773 1.400 0.598 1.00 35.24 H new ATOM 0 HA VAL A 95 -7.630 3.105 -0.074 1.00 63.12 H new ATOM 0 HB VAL A 95 -9.600 1.649 -1.871 1.00 61.31 H new ATOM 0 HG11 VAL A 95 -7.862 1.836 -3.657 1.00 52.33 H new ATOM 0 HG12 VAL A 95 -8.475 3.427 -3.147 1.00 52.33 H new ATOM 0 HG13 VAL A 95 -6.886 2.861 -2.579 1.00 52.33 H new ATOM 0 HG21 VAL A 95 -7.787 -0.065 -2.093 1.00 33.43 H new ATOM 0 HG22 VAL A 95 -6.812 0.837 -0.909 1.00 33.43 H new ATOM 0 HG23 VAL A 95 -8.353 0.098 -0.413 1.00 33.43 H new ATOM 1493 N ARG A 96 -10.698 4.209 -0.895 1.00 14.12 N ATOM 1494 CA ARG A 96 -11.463 5.408 -1.322 1.00 2.10 C ATOM 1495 C ARG A 96 -11.415 6.533 -0.260 1.00 41.14 C ATOM 1496 O ARG A 96 -11.347 7.712 -0.618 1.00 11.44 O ATOM 1497 CB ARG A 96 -12.935 5.050 -1.701 1.00 5.11 C ATOM 1498 CG ARG A 96 -13.824 4.540 -0.545 1.00 22.25 C ATOM 1499 CD ARG A 96 -15.225 4.078 -1.005 1.00 52.30 C ATOM 1500 NE ARG A 96 -15.151 2.949 -1.946 1.00 64.02 N ATOM 1501 CZ ARG A 96 -16.196 2.267 -2.452 1.00 54.21 C ATOM 1502 NH1 ARG A 96 -17.454 2.566 -2.120 1.00 11.03 N ATOM 1503 NH2 ARG A 96 -15.967 1.280 -3.308 1.00 34.42 N ATOM 0 H ARG A 96 -11.276 3.392 -0.697 1.00 14.12 H new ATOM 0 HA ARG A 96 -10.976 5.789 -2.220 1.00 2.10 H new ATOM 0 HB2 ARG A 96 -13.404 5.935 -2.132 1.00 5.11 H new ATOM 0 HB3 ARG A 96 -12.914 4.289 -2.481 1.00 5.11 H new ATOM 0 HG2 ARG A 96 -13.321 3.710 -0.049 1.00 22.25 H new ATOM 0 HG3 ARG A 96 -13.936 5.333 0.194 1.00 22.25 H new ATOM 0 HD2 ARG A 96 -15.815 3.787 -0.136 1.00 52.30 H new ATOM 0 HD3 ARG A 96 -15.744 4.911 -1.478 1.00 52.30 H new ATOM 0 HE ARG A 96 -14.220 2.655 -2.243 1.00 64.02 H new ATOM 0 HH11 ARG A 96 -17.642 3.328 -1.468 1.00 11.03 H new ATOM 0 HH12 ARG A 96 -18.227 2.033 -2.518 1.00 11.03 H new ATOM 0 HH21 ARG A 96 -15.010 1.047 -3.574 1.00 34.42 H new ATOM 0 HH22 ARG A 96 -16.748 0.754 -3.700 1.00 34.42 H new ATOM 1517 N GLU A 97 -11.427 6.165 1.044 1.00 31.41 N ATOM 1518 CA GLU A 97 -11.309 7.152 2.147 1.00 71.02 C ATOM 1519 C GLU A 97 -9.898 7.754 2.194 1.00 71.52 C ATOM 1520 O GLU A 97 -9.737 8.936 2.517 1.00 61.03 O ATOM 1521 CB GLU A 97 -11.672 6.525 3.522 1.00 50.45 C ATOM 1522 CG GLU A 97 -13.149 6.102 3.666 1.00 74.14 C ATOM 1523 CD GLU A 97 -14.151 7.207 3.284 1.00 3.14 C ATOM 1524 OE1 GLU A 97 -14.395 8.119 4.105 1.00 62.12 O ATOM 1525 OE2 GLU A 97 -14.693 7.181 2.159 1.00 32.53 O ATOM 0 H GLU A 97 -11.517 5.198 1.357 1.00 31.41 H new ATOM 0 HA GLU A 97 -12.024 7.949 1.944 1.00 71.02 H new ATOM 0 HB2 GLU A 97 -11.040 5.652 3.687 1.00 50.45 H new ATOM 0 HB3 GLU A 97 -11.435 7.243 4.308 1.00 50.45 H new ATOM 0 HG2 GLU A 97 -13.330 5.228 3.040 1.00 74.14 H new ATOM 0 HG3 GLU A 97 -13.332 5.799 4.697 1.00 74.14 H new ATOM 1532 N PHE A 98 -8.891 6.926 1.859 1.00 61.43 N ATOM 1533 CA PHE A 98 -7.488 7.354 1.798 1.00 52.42 C ATOM 1534 C PHE A 98 -7.292 8.391 0.681 1.00 51.02 C ATOM 1535 O PHE A 98 -6.702 9.443 0.907 1.00 11.21 O ATOM 1536 CB PHE A 98 -6.538 6.143 1.572 1.00 50.14 C ATOM 1537 CG PHE A 98 -5.083 6.555 1.369 1.00 63.03 C ATOM 1538 CD1 PHE A 98 -4.292 6.925 2.453 1.00 2.11 C ATOM 1539 CD2 PHE A 98 -4.519 6.613 0.089 1.00 1.20 C ATOM 1540 CE1 PHE A 98 -2.996 7.342 2.266 1.00 11.44 C ATOM 1541 CE2 PHE A 98 -3.221 7.028 -0.090 1.00 33.43 C ATOM 1542 CZ PHE A 98 -2.463 7.392 0.995 1.00 62.34 C ATOM 0 H PHE A 98 -9.031 5.943 1.624 1.00 61.43 H new ATOM 0 HA PHE A 98 -7.237 7.810 2.756 1.00 52.42 H new ATOM 0 HB2 PHE A 98 -6.604 5.472 2.429 1.00 50.14 H new ATOM 0 HB3 PHE A 98 -6.876 5.581 0.701 1.00 50.14 H new ATOM 0 HD1 PHE A 98 -4.701 6.884 3.452 1.00 2.11 H new ATOM 0 HD2 PHE A 98 -5.111 6.328 -0.768 1.00 1.20 H new ATOM 0 HE1 PHE A 98 -2.394 7.631 3.115 1.00 11.44 H new ATOM 0 HE2 PHE A 98 -2.798 7.068 -1.083 1.00 33.43 H new ATOM 0 HZ PHE A 98 -1.444 7.719 0.853 1.00 62.34 H new ATOM 1552 N LEU A 99 -7.782 8.058 -0.523 1.00 14.34 N ATOM 1553 CA LEU A 99 -7.630 8.898 -1.724 1.00 13.11 C ATOM 1554 C LEU A 99 -8.431 10.215 -1.590 1.00 34.41 C ATOM 1555 O LEU A 99 -8.042 11.249 -2.146 1.00 34.33 O ATOM 1556 CB LEU A 99 -8.069 8.090 -2.976 1.00 60.21 C ATOM 1557 CG LEU A 99 -7.261 6.774 -3.253 1.00 41.34 C ATOM 1558 CD1 LEU A 99 -7.950 5.906 -4.326 1.00 15.32 C ATOM 1559 CD2 LEU A 99 -5.793 7.070 -3.633 1.00 1.32 C ATOM 0 H LEU A 99 -8.298 7.194 -0.693 1.00 14.34 H new ATOM 0 HA LEU A 99 -6.582 9.175 -1.835 1.00 13.11 H new ATOM 0 HB2 LEU A 99 -9.123 7.832 -2.868 1.00 60.21 H new ATOM 0 HB3 LEU A 99 -7.987 8.736 -3.850 1.00 60.21 H new ATOM 0 HG LEU A 99 -7.247 6.205 -2.323 1.00 41.34 H new ATOM 0 HD11 LEU A 99 -7.364 5.002 -4.494 1.00 15.32 H new ATOM 0 HD12 LEU A 99 -8.949 5.633 -3.987 1.00 15.32 H new ATOM 0 HD13 LEU A 99 -8.024 6.469 -5.257 1.00 15.32 H new ATOM 0 HD21 LEU A 99 -5.269 6.132 -3.817 1.00 1.32 H new ATOM 0 HD22 LEU A 99 -5.767 7.683 -4.534 1.00 1.32 H new ATOM 0 HD23 LEU A 99 -5.306 7.604 -2.817 1.00 1.32 H new ATOM 1571 N LYS A 100 -9.548 10.163 -0.832 1.00 42.40 N ATOM 1572 CA LYS A 100 -10.401 11.341 -0.561 1.00 24.12 C ATOM 1573 C LYS A 100 -9.716 12.290 0.452 1.00 63.54 C ATOM 1574 O LYS A 100 -9.725 13.518 0.269 1.00 24.53 O ATOM 1575 CB LYS A 100 -11.809 10.881 -0.076 1.00 41.42 C ATOM 1576 CG LYS A 100 -12.810 12.026 0.232 1.00 12.10 C ATOM 1577 CD LYS A 100 -14.292 11.577 0.285 1.00 52.11 C ATOM 1578 CE LYS A 100 -14.577 10.421 1.264 1.00 24.32 C ATOM 1579 NZ LYS A 100 -14.215 10.733 2.673 1.00 33.32 N ATOM 0 H LYS A 100 -9.883 9.306 -0.392 1.00 42.40 H new ATOM 0 HA LYS A 100 -10.537 11.905 -1.484 1.00 24.12 H new ATOM 0 HB2 LYS A 100 -12.245 10.235 -0.838 1.00 41.42 H new ATOM 0 HB3 LYS A 100 -11.686 10.276 0.823 1.00 41.42 H new ATOM 0 HG2 LYS A 100 -12.545 12.478 1.188 1.00 12.10 H new ATOM 0 HG3 LYS A 100 -12.704 12.801 -0.528 1.00 12.10 H new ATOM 0 HD2 LYS A 100 -14.907 12.432 0.564 1.00 52.11 H new ATOM 0 HD3 LYS A 100 -14.602 11.274 -0.715 1.00 52.11 H new ATOM 0 HE2 LYS A 100 -15.636 10.168 1.217 1.00 24.32 H new ATOM 0 HE3 LYS A 100 -14.024 9.538 0.942 1.00 24.32 H new ATOM 0 HZ1 LYS A 100 -14.287 9.870 3.249 1.00 33.32 H new ATOM 0 HZ2 LYS A 100 -13.240 11.093 2.709 1.00 33.32 H new ATOM 0 HZ3 LYS A 100 -14.864 11.454 3.047 1.00 33.32 H new ATOM 1593 N THR A 101 -9.085 11.710 1.503 1.00 55.20 N ATOM 1594 CA THR A 101 -8.321 12.498 2.500 1.00 2.30 C ATOM 1595 C THR A 101 -6.943 12.897 1.940 1.00 1.31 C ATOM 1596 O THR A 101 -6.306 13.800 2.475 1.00 43.32 O ATOM 1597 CB THR A 101 -8.169 11.765 3.889 1.00 72.04 C ATOM 1598 OG1 THR A 101 -7.720 12.694 4.896 1.00 25.10 O ATOM 1599 CG2 THR A 101 -7.191 10.577 3.854 1.00 61.14 C ATOM 0 H THR A 101 -9.090 10.706 1.681 1.00 55.20 H new ATOM 0 HA THR A 101 -8.903 13.400 2.691 1.00 2.30 H new ATOM 0 HB THR A 101 -9.158 11.373 4.127 1.00 72.04 H new ATOM 0 HG1 THR A 101 -7.124 13.356 4.488 1.00 25.10 H new ATOM 0 HG21 THR A 101 -7.137 10.121 4.843 1.00 61.14 H new ATOM 0 HG22 THR A 101 -7.541 9.839 3.133 1.00 61.14 H new ATOM 0 HG23 THR A 101 -6.202 10.929 3.562 1.00 61.14 H new ATOM 1607 N ALA A 102 -6.495 12.207 0.871 1.00 54.41 N ATOM 1608 CA ALA A 102 -5.235 12.522 0.167 1.00 11.13 C ATOM 1609 C ALA A 102 -5.315 13.901 -0.509 1.00 43.13 C ATOM 1610 O ALA A 102 -4.332 14.653 -0.528 1.00 33.13 O ATOM 1611 CB ALA A 102 -4.899 11.433 -0.859 1.00 2.33 C ATOM 0 H ALA A 102 -6.998 11.415 0.471 1.00 54.41 H new ATOM 0 HA ALA A 102 -4.434 12.553 0.905 1.00 11.13 H new ATOM 0 HB1 ALA A 102 -3.967 11.685 -1.366 1.00 2.33 H new ATOM 0 HB2 ALA A 102 -4.787 10.476 -0.350 1.00 2.33 H new ATOM 0 HB3 ALA A 102 -5.703 11.363 -1.592 1.00 2.33 H new