USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 767 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 102 THR OG1 : rot 174:sc= 0.451 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= -0.544 F(o=-3.4!,f=-0.094) USER MOD Set 1.3: A 113 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 2.1: A 105 ASN :FLIP amide:sc= -0.226 F(o=-3!,f=0.17) USER MOD Set 2.2: A 108 THR OG1 : rot -79:sc= 0.392 USER MOD Single : A 4 SER OG : rot 30:sc= 1.23 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -1.14 F(o=-8.6!,f=-1.1) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0548 F(o=-0.85,f=-0.055) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -7.48! C(o=-10!,f=-7.5!) USER MOD Single : A 14 ASN : amide:sc= -7.13! C(o=-7.1!,f=-18!) USER MOD Single : A 19 MET CE :methyl -172:sc= -3.62 (180deg=-4.19) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ -136:sc= -0.074 (180deg=-0.541) USER MOD Single : A 33 LYS NZ :NH3+ 143:sc= -1.79! (180deg=-4.31!) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0318 (180deg=-0.231) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= -0.114 (180deg=-0.652) USER MOD Single : A 60 HIS : no HD1:sc=-0.00613 X(o=-0.0061,f=-0.25) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.26 F(o=-4.1!,f=-1.3) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -0.395 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 74 MET CE :methyl -109:sc= -0.381 (180deg=-2.75!) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0794 (180deg=-0.384) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= -0.0299 (180deg=-0.233) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -162:sc= -0.0986 (180deg=-0.605) USER MOD Single : A 89 ASN :FLIP amide:sc= -2.19! C(o=-6.6!,f=-2.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 162:sc= -0.0719 (180deg=-0.419) USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.18 (180deg=-0.687) USER MOD Single : A 100 SER OG : rot -160:sc= -0.0248 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 78:sc= 0.471 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.125 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 10.990 8.852 -5.492 1.00 0.64 N ATOM 53 CA SER A 4 10.361 8.269 -6.677 1.00 0.56 C ATOM 54 C SER A 4 11.170 7.092 -7.213 1.00 0.52 C ATOM 55 O SER A 4 12.399 7.130 -7.245 1.00 0.75 O ATOM 56 CB SER A 4 10.184 9.324 -7.775 1.00 0.69 C ATOM 57 OG SER A 4 9.625 8.753 -8.945 1.00 1.53 O ATOM 0 HA SER A 4 9.379 7.903 -6.378 1.00 0.56 H new ATOM 0 HB2 SER A 4 9.539 10.125 -7.414 1.00 0.69 H new ATOM 0 HB3 SER A 4 11.149 9.773 -8.011 1.00 0.69 H new ATOM 0 HG SER A 4 9.051 7.998 -8.698 1.00 1.53 H new ATOM 63 N GLY A 5 10.463 6.048 -7.632 1.00 0.43 N ATOM 64 CA GLY A 5 11.117 4.867 -8.163 1.00 0.45 C ATOM 65 C GLY A 5 10.137 3.742 -8.435 1.00 0.40 C ATOM 66 O GLY A 5 9.061 3.692 -7.841 1.00 0.54 O ATOM 0 H GLY A 5 9.444 5.999 -7.613 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.636 5.125 -9.086 1.00 0.45 H new ATOM 0 HA3 GLY A 5 11.874 4.525 -7.457 1.00 0.45 H new ATOM 70 N LYS A 6 10.509 2.837 -9.335 1.00 0.36 N ATOM 71 CA LYS A 6 9.652 1.710 -9.684 1.00 0.35 C ATOM 72 C LYS A 6 10.050 0.461 -8.904 1.00 0.30 C ATOM 73 O LYS A 6 11.225 0.096 -8.856 1.00 0.36 O ATOM 74 CB LYS A 6 9.729 1.433 -11.185 1.00 0.47 C ATOM 75 CG LYS A 6 8.699 0.429 -11.675 1.00 1.02 C ATOM 76 CD LYS A 6 8.776 0.248 -13.183 1.00 1.43 C ATOM 77 CE LYS A 6 7.755 -0.763 -13.675 1.00 1.75 C ATOM 78 NZ LYS A 6 7.819 -0.943 -15.152 1.00 2.38 N ATOM 0 H LYS A 6 11.398 2.862 -9.835 1.00 0.36 H new ATOM 0 HA LYS A 6 8.627 1.969 -9.420 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.596 2.370 -11.726 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.726 1.065 -11.427 1.00 0.47 H new ATOM 0 HG2 LYS A 6 8.861 -0.530 -11.183 1.00 1.02 H new ATOM 0 HG3 LYS A 6 7.700 0.765 -11.398 1.00 1.02 H new ATOM 0 HD2 LYS A 6 8.607 1.206 -13.675 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.778 -0.080 -13.460 1.00 1.43 H new ATOM 0 HE2 LYS A 6 7.927 -1.721 -13.185 1.00 1.75 H new ATOM 0 HE3 LYS A 6 6.755 -0.436 -13.392 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 7.107 -1.641 -15.448 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 7.629 -0.034 -15.621 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 8.766 -1.280 -15.420 1.00 2.38 H new ATOM 92 N TYR A 7 9.066 -0.189 -8.292 1.00 0.30 N ATOM 93 CA TYR A 7 9.314 -1.397 -7.513 1.00 0.29 C ATOM 94 C TYR A 7 8.283 -2.476 -7.837 1.00 0.30 C ATOM 95 O TYR A 7 7.118 -2.176 -8.100 1.00 0.42 O ATOM 96 CB TYR A 7 9.296 -1.070 -6.019 1.00 0.34 C ATOM 97 CG TYR A 7 10.283 0.009 -5.633 1.00 0.49 C ATOM 98 CD1 TYR A 7 9.920 1.350 -5.658 1.00 0.77 C ATOM 99 CD2 TYR A 7 11.575 -0.313 -5.236 1.00 0.70 C ATOM 100 CE1 TYR A 7 10.816 2.339 -5.297 1.00 0.93 C ATOM 101 CE2 TYR A 7 12.477 0.671 -4.875 1.00 0.89 C ATOM 102 CZ TYR A 7 12.106 1.993 -4.940 1.00 0.91 C ATOM 103 OH TYR A 7 12.987 2.975 -4.547 1.00 1.13 O ATOM 0 H TYR A 7 8.088 0.101 -8.320 1.00 0.30 H new ATOM 0 HA TYR A 7 10.299 -1.782 -7.778 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.292 -0.754 -5.735 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.517 -1.975 -5.453 1.00 0.34 H new ATOM 0 HD1 TYR A 7 8.921 1.624 -5.965 1.00 0.77 H new ATOM 0 HD2 TYR A 7 11.880 -1.349 -5.209 1.00 0.70 H new ATOM 0 HE1 TYR A 7 10.510 3.375 -5.294 1.00 0.93 H new ATOM 0 HE2 TYR A 7 13.469 0.402 -4.543 1.00 0.89 H new ATOM 0 HH TYR A 7 13.852 2.570 -4.328 1.00 1.13 H new ATOM 113 N GLN A 8 8.722 -3.733 -7.813 1.00 0.31 N ATOM 114 CA GLN A 8 7.846 -4.861 -8.121 1.00 0.35 C ATOM 115 C GLN A 8 7.767 -5.833 -6.948 1.00 0.35 C ATOM 116 O GLN A 8 8.793 -6.281 -6.438 1.00 0.38 O ATOM 117 CB GLN A 8 8.365 -5.596 -9.359 1.00 0.44 C ATOM 118 CG GLN A 8 7.565 -6.838 -9.720 1.00 0.41 C ATOM 119 CD GLN A 8 6.386 -6.536 -10.626 1.00 0.92 C ATOM 120 OE1 GLN A 8 5.853 -5.323 -10.528 1.00 1.39 O flip ATOM 121 NE2 GLN A 8 5.962 -7.384 -11.411 1.00 1.23 N flip ATOM 0 H GLN A 8 9.680 -3.996 -7.583 1.00 0.31 H new ATOM 0 HA GLN A 8 6.846 -4.472 -8.314 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.355 -4.911 -10.207 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.404 -5.881 -9.191 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.221 -7.556 -10.212 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.204 -7.310 -8.806 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.401 -8.304 -11.454 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.172 -7.167 -12.018 1.00 1.23 H new ATOM 128 N VAL A 9 6.547 -6.170 -6.532 1.00 0.40 N ATOM 129 CA VAL A 9 6.361 -7.102 -5.426 1.00 0.45 C ATOM 130 C VAL A 9 6.770 -8.507 -5.856 1.00 0.52 C ATOM 131 O VAL A 9 6.542 -8.901 -7.000 1.00 0.67 O ATOM 132 CB VAL A 9 4.903 -7.119 -4.924 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.426 -5.708 -4.621 1.00 1.18 C ATOM 134 CG2 VAL A 9 3.986 -7.792 -5.931 1.00 1.24 C ATOM 0 H VAL A 9 5.682 -5.815 -6.940 1.00 0.40 H new ATOM 0 HA VAL A 9 6.993 -6.765 -4.604 1.00 0.45 H new ATOM 0 HB VAL A 9 4.870 -7.699 -4.002 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.395 -5.740 -4.268 1.00 1.18 H new ATOM 0 HG12 VAL A 9 5.059 -5.267 -3.851 1.00 1.18 H new ATOM 0 HG13 VAL A 9 4.481 -5.103 -5.526 1.00 1.18 H new ATOM 0 HG21 VAL A 9 2.964 -7.790 -5.551 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.023 -7.250 -6.876 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.312 -8.820 -6.090 1.00 1.24 H new ATOM 138 N GLN A 10 7.378 -9.258 -4.946 1.00 0.50 N ATOM 139 CA GLN A 10 7.825 -10.607 -5.260 1.00 0.61 C ATOM 140 C GLN A 10 7.345 -11.625 -4.232 1.00 0.72 C ATOM 141 O GLN A 10 7.383 -12.829 -4.484 1.00 1.01 O ATOM 142 CB GLN A 10 9.347 -10.642 -5.346 1.00 0.71 C ATOM 143 CG GLN A 10 9.900 -10.099 -6.651 1.00 0.90 C ATOM 144 CD GLN A 10 11.385 -10.361 -6.805 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.203 -9.437 -6.314 1.00 2.20 O flip ATOM 146 NE2 GLN A 10 11.792 -11.383 -7.355 1.00 2.11 N flip ATOM 0 H GLN A 10 7.571 -8.957 -3.991 1.00 0.50 H new ATOM 0 HA GLN A 10 7.391 -10.879 -6.222 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.762 -10.066 -4.519 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.685 -11.670 -5.219 1.00 0.71 H new ATOM 0 HG2 GLN A 10 9.366 -10.553 -7.485 1.00 0.90 H new ATOM 0 HG3 GLN A 10 9.716 -9.026 -6.701 1.00 0.90 H new ATOM 0 HE21 GLN A 10 11.127 -12.066 -7.718 1.00 2.11 H new ATOM 0 HE22 GLN A 10 12.794 -11.547 -7.448 1.00 2.11 H new ATOM 153 N SER A 11 6.894 -11.149 -3.077 1.00 0.56 N ATOM 154 CA SER A 11 6.422 -12.053 -2.033 1.00 0.70 C ATOM 155 C SER A 11 5.635 -11.321 -0.948 1.00 0.54 C ATOM 156 O SER A 11 5.858 -10.139 -0.685 1.00 0.54 O ATOM 157 CB SER A 11 7.605 -12.791 -1.403 1.00 0.97 C ATOM 158 OG SER A 11 8.528 -11.883 -0.826 1.00 1.72 O ATOM 0 H SER A 11 6.845 -10.158 -2.841 1.00 0.56 H new ATOM 0 HA SER A 11 5.748 -12.768 -2.505 1.00 0.70 H new ATOM 0 HB2 SER A 11 7.243 -13.479 -0.639 1.00 0.97 H new ATOM 0 HB3 SER A 11 8.108 -13.392 -2.161 1.00 0.97 H new ATOM 0 HG SER A 11 9.273 -12.381 -0.429 1.00 1.72 H new ATOM 164 N GLN A 12 4.713 -12.051 -0.325 1.00 0.56 N ATOM 165 CA GLN A 12 3.882 -11.513 0.746 1.00 0.50 C ATOM 166 C GLN A 12 3.598 -12.597 1.784 1.00 0.46 C ATOM 167 O GLN A 12 3.444 -13.769 1.439 1.00 0.59 O ATOM 168 CB GLN A 12 2.563 -10.971 0.185 1.00 0.70 C ATOM 169 CG GLN A 12 1.530 -10.653 1.256 1.00 0.85 C ATOM 170 CD GLN A 12 1.931 -9.481 2.129 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.636 -9.579 3.421 1.00 2.01 O flip ATOM 172 NE2 GLN A 12 2.502 -8.505 1.647 1.00 0.82 N flip ATOM 0 H GLN A 12 4.522 -13.028 -0.548 1.00 0.56 H new ATOM 0 HA GLN A 12 4.421 -10.694 1.222 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.767 -10.068 -0.391 1.00 0.70 H new ATOM 0 HB3 GLN A 12 2.144 -11.702 -0.506 1.00 0.70 H new ATOM 0 HG2 GLN A 12 0.574 -10.435 0.779 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.380 -11.532 1.882 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.707 -8.476 0.648 1.00 0.82 H new ATOM 0 HE22 GLN A 12 2.771 -7.724 2.246 1.00 0.82 H new ATOM 179 N GLU A 13 3.530 -12.205 3.053 1.00 0.47 N ATOM 180 CA GLU A 13 3.263 -13.152 4.131 1.00 0.52 C ATOM 181 C GLU A 13 1.838 -12.988 4.655 1.00 0.45 C ATOM 182 O GLU A 13 1.353 -11.870 4.810 1.00 0.47 O ATOM 183 CB GLU A 13 4.269 -12.960 5.266 1.00 0.71 C ATOM 184 CG GLU A 13 5.708 -13.216 4.847 1.00 1.16 C ATOM 185 CD GLU A 13 6.687 -13.062 5.994 1.00 1.72 C ATOM 186 OE1 GLU A 13 7.157 -11.928 6.225 1.00 2.39 O ATOM 187 OE2 GLU A 13 6.982 -14.075 6.661 1.00 2.07 O ATOM 0 H GLU A 13 3.656 -11.240 3.360 1.00 0.47 H new ATOM 0 HA GLU A 13 3.368 -14.162 3.734 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.185 -11.942 5.648 1.00 0.71 H new ATOM 0 HB3 GLU A 13 4.012 -13.630 6.086 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.789 -14.223 4.438 1.00 1.16 H new ATOM 0 HG3 GLU A 13 5.978 -12.525 4.049 1.00 1.16 H new ATOM 194 N ASN A 14 1.179 -14.113 4.932 1.00 0.47 N ATOM 195 CA ASN A 14 -0.198 -14.106 5.431 1.00 0.52 C ATOM 196 C ASN A 14 -1.166 -13.649 4.342 1.00 0.56 C ATOM 197 O ASN A 14 -0.898 -12.685 3.626 1.00 0.92 O ATOM 198 CB ASN A 14 -0.330 -13.203 6.665 1.00 0.62 C ATOM 199 CG ASN A 14 -1.441 -12.188 6.529 1.00 1.26 C ATOM 200 OD1 ASN A 14 -2.594 -12.484 6.826 1.00 1.88 O ATOM 201 ND2 ASN A 14 -1.097 -10.986 6.082 1.00 1.78 N ATOM 0 H ASN A 14 1.578 -15.045 4.819 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.452 -15.126 5.720 1.00 0.52 H new ATOM 0 HB2 ASN A 14 -0.513 -13.821 7.544 1.00 0.62 H new ATOM 0 HB3 ASN A 14 0.613 -12.683 6.832 1.00 0.62 H new ATOM 0 HD21 ASN A 14 -1.806 -10.261 5.973 1.00 1.78 H new ATOM 0 HD22 ASN A 14 -0.124 -10.788 5.848 1.00 1.78 H new ATOM 206 N PHE A 15 -2.293 -14.347 4.224 1.00 0.52 N ATOM 207 CA PHE A 15 -3.299 -14.008 3.223 1.00 0.59 C ATOM 208 C PHE A 15 -4.710 -14.284 3.733 1.00 0.59 C ATOM 209 O PHE A 15 -5.502 -13.365 3.918 1.00 0.66 O ATOM 210 CB PHE A 15 -3.061 -14.801 1.937 1.00 0.73 C ATOM 211 CG PHE A 15 -1.787 -14.448 1.225 1.00 1.40 C ATOM 212 CD1 PHE A 15 -1.748 -13.388 0.334 1.00 1.85 C ATOM 213 CD2 PHE A 15 -0.633 -15.181 1.442 1.00 2.40 C ATOM 214 CE1 PHE A 15 -0.579 -13.067 -0.329 1.00 2.66 C ATOM 215 CE2 PHE A 15 0.539 -14.864 0.784 1.00 3.26 C ATOM 216 CZ PHE A 15 0.567 -13.805 -0.102 1.00 3.24 C ATOM 0 H PHE A 15 -2.531 -15.149 4.808 1.00 0.52 H new ATOM 0 HA PHE A 15 -3.208 -12.941 3.017 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -3.048 -15.864 2.176 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -3.900 -14.636 1.261 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -2.640 -12.807 0.156 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.649 -16.010 2.134 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -0.561 -12.240 -1.024 1.00 2.66 H new ATOM 0 HE2 PHE A 15 1.433 -15.444 0.962 1.00 3.26 H new ATOM 0 HZ PHE A 15 1.483 -13.554 -0.616 1.00 3.24 H new ATOM 226 N GLU A 16 -5.010 -15.561 3.958 1.00 0.65 N ATOM 227 CA GLU A 16 -6.331 -15.979 4.429 1.00 0.72 C ATOM 228 C GLU A 16 -6.787 -15.204 5.673 1.00 0.62 C ATOM 229 O GLU A 16 -7.908 -14.698 5.701 1.00 0.68 O ATOM 230 CB GLU A 16 -6.344 -17.483 4.707 1.00 0.86 C ATOM 231 CG GLU A 16 -6.156 -18.330 3.459 1.00 1.03 C ATOM 232 CD GLU A 16 -7.213 -18.063 2.406 1.00 1.53 C ATOM 233 OE1 GLU A 16 -8.266 -18.734 2.440 1.00 1.92 O ATOM 234 OE2 GLU A 16 -6.989 -17.182 1.549 1.00 1.96 O ATOM 0 H GLU A 16 -4.353 -16.329 3.821 1.00 0.65 H new ATOM 0 HA GLU A 16 -7.040 -15.750 3.633 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -5.554 -17.720 5.420 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -7.290 -17.749 5.179 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -5.171 -18.134 3.037 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -6.181 -19.385 3.733 1.00 1.03 H new ATOM 241 N PRO A 17 -5.950 -15.103 6.727 1.00 0.54 N ATOM 242 CA PRO A 17 -6.334 -14.377 7.941 1.00 0.52 C ATOM 243 C PRO A 17 -6.472 -12.877 7.693 1.00 0.45 C ATOM 244 O PRO A 17 -7.395 -12.237 8.196 1.00 0.50 O ATOM 245 CB PRO A 17 -5.188 -14.662 8.915 1.00 0.59 C ATOM 246 CG PRO A 17 -4.025 -15.019 8.055 1.00 0.72 C ATOM 247 CD PRO A 17 -4.594 -15.677 6.828 1.00 0.59 C ATOM 0 HA PRO A 17 -7.307 -14.695 8.316 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.969 -13.790 9.532 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.441 -15.477 9.593 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.451 -14.131 7.789 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -3.347 -15.693 8.578 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.998 -15.458 5.942 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.624 -16.762 6.931 1.00 0.59 H new ATOM 255 N PHE A 18 -5.551 -12.328 6.907 1.00 0.44 N ATOM 256 CA PHE A 18 -5.560 -10.904 6.579 1.00 0.54 C ATOM 257 C PHE A 18 -6.850 -10.503 5.862 1.00 0.62 C ATOM 258 O PHE A 18 -7.529 -9.559 6.267 1.00 0.68 O ATOM 259 CB PHE A 18 -4.347 -10.567 5.701 1.00 0.65 C ATOM 260 CG PHE A 18 -4.398 -9.192 5.096 1.00 0.90 C ATOM 261 CD1 PHE A 18 -4.100 -8.072 5.853 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.745 -9.023 3.764 1.00 1.08 C ATOM 263 CE1 PHE A 18 -4.147 -6.809 5.295 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.793 -7.762 3.200 1.00 1.35 C ATOM 265 CZ PHE A 18 -4.494 -6.654 3.967 1.00 1.46 C ATOM 0 H PHE A 18 -4.784 -12.850 6.483 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.506 -10.341 7.511 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.441 -10.657 6.300 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -4.274 -11.303 4.901 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -3.828 -8.187 6.892 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.981 -9.887 3.160 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -3.913 -5.943 5.897 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -5.064 -7.644 2.161 1.00 1.35 H new ATOM 0 HZ PHE A 18 -4.531 -5.667 3.529 1.00 1.46 H new ATOM 275 N MET A 19 -7.178 -11.229 4.799 1.00 0.68 N ATOM 276 CA MET A 19 -8.375 -10.954 4.010 1.00 0.83 C ATOM 277 C MET A 19 -9.649 -11.175 4.819 1.00 0.81 C ATOM 278 O MET A 19 -10.576 -10.370 4.761 1.00 0.90 O ATOM 279 CB MET A 19 -8.388 -11.838 2.766 1.00 0.96 C ATOM 280 CG MET A 19 -8.356 -13.327 3.069 1.00 1.91 C ATOM 281 SD MET A 19 -10.003 -14.053 3.187 1.00 3.37 S ATOM 282 CE MET A 19 -9.607 -15.799 3.149 1.00 4.48 C ATOM 0 H MET A 19 -6.627 -12.018 4.461 1.00 0.68 H new ATOM 0 HA MET A 19 -8.348 -9.905 3.716 1.00 0.83 H new ATOM 0 HB2 MET A 19 -9.281 -11.615 2.183 1.00 0.96 H new ATOM 0 HB3 MET A 19 -7.530 -11.585 2.143 1.00 0.96 H new ATOM 0 HG2 MET A 19 -7.793 -13.840 2.289 1.00 1.91 H new ATOM 0 HG3 MET A 19 -7.824 -13.491 4.006 1.00 1.91 H new ATOM 0 HE1 MET A 19 -10.527 -16.379 3.071 1.00 4.48 H new ATOM 0 HE2 MET A 19 -8.971 -16.009 2.289 1.00 4.48 H new ATOM 0 HE3 MET A 19 -9.082 -16.073 4.064 1.00 4.48 H new ATOM 292 N LYS A 20 -9.690 -12.267 5.571 1.00 0.73 N ATOM 293 CA LYS A 20 -10.857 -12.593 6.383 1.00 0.79 C ATOM 294 C LYS A 20 -11.170 -11.482 7.380 1.00 0.72 C ATOM 295 O LYS A 20 -12.332 -11.124 7.577 1.00 0.79 O ATOM 296 CB LYS A 20 -10.628 -13.911 7.120 1.00 0.85 C ATOM 297 CG LYS A 20 -11.083 -15.130 6.337 1.00 1.02 C ATOM 298 CD LYS A 20 -10.915 -16.406 7.143 1.00 1.37 C ATOM 299 CE LYS A 20 -11.366 -17.624 6.354 1.00 1.63 C ATOM 300 NZ LYS A 20 -11.163 -18.887 7.115 1.00 2.27 N ATOM 0 H LYS A 20 -8.929 -12.943 5.636 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.713 -12.695 5.717 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.567 -14.011 7.348 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -11.157 -13.882 8.072 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -12.129 -15.012 6.055 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -10.510 -15.204 5.413 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -9.870 -16.523 7.429 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -11.492 -16.334 8.065 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -12.420 -17.520 6.098 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -10.814 -17.673 5.416 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -11.483 -19.693 6.541 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -10.153 -19.000 7.337 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -11.710 -18.852 7.999 1.00 2.27 H new ATOM 314 N ALA A 21 -10.130 -10.940 8.006 1.00 0.64 N ATOM 315 CA ALA A 21 -10.298 -9.871 8.986 1.00 0.64 C ATOM 316 C ALA A 21 -10.751 -8.575 8.321 1.00 0.65 C ATOM 317 O ALA A 21 -11.328 -7.702 8.970 1.00 0.85 O ATOM 318 CB ALA A 21 -9.001 -9.646 9.746 1.00 0.67 C ATOM 0 H ALA A 21 -9.162 -11.223 7.853 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.074 -10.178 9.688 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.140 -8.846 10.474 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.719 -10.563 10.264 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.213 -9.367 9.046 1.00 0.67 H new ATOM 324 N MET A 22 -10.486 -8.456 7.024 1.00 0.66 N ATOM 325 CA MET A 22 -10.862 -7.263 6.274 1.00 0.72 C ATOM 326 C MET A 22 -12.205 -7.456 5.575 1.00 0.74 C ATOM 327 O MET A 22 -13.219 -6.893 5.990 1.00 0.90 O ATOM 328 CB MET A 22 -9.781 -6.928 5.243 1.00 0.75 C ATOM 329 CG MET A 22 -10.102 -5.704 4.402 1.00 0.88 C ATOM 330 SD MET A 22 -10.233 -4.200 5.386 1.00 1.45 S ATOM 331 CE MET A 22 -10.610 -2.998 4.113 1.00 2.05 C ATOM 0 H MET A 22 -10.013 -9.170 6.471 1.00 0.66 H new ATOM 0 HA MET A 22 -10.958 -6.436 6.977 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.835 -6.766 5.760 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.641 -7.785 4.584 1.00 0.75 H new ATOM 0 HG2 MET A 22 -9.327 -5.573 3.647 1.00 0.88 H new ATOM 0 HG3 MET A 22 -11.039 -5.869 3.871 1.00 0.88 H new ATOM 0 HE1 MET A 22 -10.721 -2.012 4.565 1.00 2.05 H new ATOM 0 HE2 MET A 22 -9.800 -2.974 3.384 1.00 2.05 H new ATOM 0 HE3 MET A 22 -11.539 -3.275 3.614 1.00 2.05 H new ATOM 341 N GLY A 23 -12.203 -8.253 4.513 1.00 0.79 N ATOM 342 CA GLY A 23 -13.423 -8.506 3.769 1.00 0.85 C ATOM 343 C GLY A 23 -13.146 -8.944 2.345 1.00 0.84 C ATOM 344 O GLY A 23 -14.025 -8.881 1.486 1.00 0.97 O ATOM 0 H GLY A 23 -11.376 -8.730 4.153 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -14.003 -9.276 4.278 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -14.033 -7.603 3.757 1.00 0.85 H new ATOM 348 N LEU A 24 -11.919 -9.390 2.096 1.00 0.77 N ATOM 349 CA LEU A 24 -11.523 -9.840 0.768 1.00 0.78 C ATOM 350 C LEU A 24 -11.770 -11.341 0.611 1.00 0.71 C ATOM 351 O LEU A 24 -11.374 -12.130 1.467 1.00 0.68 O ATOM 352 CB LEU A 24 -10.046 -9.518 0.521 1.00 0.78 C ATOM 353 CG LEU A 24 -9.590 -9.603 -0.936 1.00 0.89 C ATOM 354 CD1 LEU A 24 -10.269 -8.531 -1.774 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.078 -9.467 -1.026 1.00 1.26 C ATOM 0 H LEU A 24 -11.181 -9.449 2.798 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.128 -9.313 0.030 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -9.845 -8.512 0.889 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.439 -10.202 1.114 1.00 0.78 H new ATOM 0 HG LEU A 24 -9.876 -10.578 -1.329 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -9.931 -8.609 -2.807 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -11.350 -8.668 -1.734 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.014 -7.547 -1.382 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -7.769 -9.530 -2.069 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -7.774 -8.505 -0.614 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -7.606 -10.269 -0.459 1.00 1.26 H new ATOM 361 N PRO A 25 -12.433 -11.756 -0.487 1.00 0.76 N ATOM 362 CA PRO A 25 -12.733 -13.170 -0.742 1.00 0.74 C ATOM 363 C PRO A 25 -11.492 -13.966 -1.130 1.00 0.67 C ATOM 364 O PRO A 25 -10.724 -13.549 -1.997 1.00 0.67 O ATOM 365 CB PRO A 25 -13.717 -13.113 -1.908 1.00 0.85 C ATOM 366 CG PRO A 25 -13.364 -11.861 -2.626 1.00 0.94 C ATOM 367 CD PRO A 25 -12.939 -10.886 -1.567 1.00 0.89 C ATOM 0 HA PRO A 25 -13.125 -13.671 0.143 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.617 -13.984 -2.555 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -14.749 -13.093 -1.557 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -12.561 -12.035 -3.342 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -14.216 -11.480 -3.189 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -12.168 -10.207 -1.931 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -13.772 -10.270 -1.230 1.00 0.89 H new ATOM 375 N GLU A 26 -11.319 -15.123 -0.494 1.00 0.64 N ATOM 376 CA GLU A 26 -10.172 -15.994 -0.755 1.00 0.60 C ATOM 377 C GLU A 26 -9.993 -16.269 -2.246 1.00 0.60 C ATOM 378 O GLU A 26 -8.883 -16.534 -2.703 1.00 0.59 O ATOM 379 CB GLU A 26 -10.332 -17.321 -0.011 1.00 0.64 C ATOM 380 CG GLU A 26 -11.637 -18.037 -0.315 1.00 1.42 C ATOM 381 CD GLU A 26 -11.770 -19.350 0.432 1.00 1.61 C ATOM 382 OE1 GLU A 26 -12.234 -19.330 1.591 1.00 1.99 O ATOM 383 OE2 GLU A 26 -11.408 -20.400 -0.142 1.00 1.74 O ATOM 0 H GLU A 26 -11.963 -15.482 0.211 1.00 0.64 H new ATOM 0 HA GLU A 26 -9.284 -15.473 -0.396 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -9.500 -17.975 -0.270 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -10.270 -17.136 1.061 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -12.473 -17.388 -0.053 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -11.703 -18.225 -1.387 1.00 1.42 H new ATOM 390 N ASP A 27 -11.083 -16.202 -3.000 1.00 0.65 N ATOM 391 CA ASP A 27 -11.026 -16.450 -4.437 1.00 0.70 C ATOM 392 C ASP A 27 -10.111 -15.444 -5.131 1.00 0.70 C ATOM 393 O ASP A 27 -9.285 -15.815 -5.965 1.00 0.71 O ATOM 394 CB ASP A 27 -12.428 -16.383 -5.046 1.00 0.80 C ATOM 395 CG ASP A 27 -13.357 -17.436 -4.474 1.00 1.44 C ATOM 396 OD1 ASP A 27 -13.900 -17.211 -3.372 1.00 2.29 O ATOM 397 OD2 ASP A 27 -13.540 -18.485 -5.127 1.00 1.62 O ATOM 0 H ASP A 27 -12.013 -15.979 -2.644 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.618 -17.449 -4.588 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -12.851 -15.394 -4.869 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -12.359 -16.512 -6.126 1.00 0.80 H new ATOM 402 N LEU A 28 -10.264 -14.171 -4.780 1.00 0.73 N ATOM 403 CA LEU A 28 -9.461 -13.107 -5.373 1.00 0.78 C ATOM 404 C LEU A 28 -7.997 -13.185 -4.942 1.00 0.74 C ATOM 405 O LEU A 28 -7.095 -12.947 -5.745 1.00 0.77 O ATOM 406 CB LEU A 28 -10.042 -11.738 -5.007 1.00 0.90 C ATOM 407 CG LEU A 28 -11.085 -11.190 -5.987 1.00 1.08 C ATOM 408 CD1 LEU A 28 -12.260 -12.147 -6.120 1.00 1.65 C ATOM 409 CD2 LEU A 28 -11.561 -9.817 -5.538 1.00 1.60 C ATOM 0 H LEU A 28 -10.939 -13.850 -4.086 1.00 0.73 H new ATOM 0 HA LEU A 28 -9.494 -13.239 -6.454 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -10.496 -11.806 -4.018 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -9.224 -11.022 -4.933 1.00 0.90 H new ATOM 0 HG LEU A 28 -10.617 -11.093 -6.967 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -12.987 -11.736 -6.821 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -11.905 -13.110 -6.488 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -12.731 -12.282 -5.146 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -12.301 -9.440 -6.243 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.009 -9.893 -4.547 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -10.714 -9.132 -5.501 1.00 1.60 H new ATOM 415 N ILE A 29 -7.763 -13.517 -3.675 1.00 0.70 N ATOM 416 CA ILE A 29 -6.403 -13.608 -3.149 1.00 0.72 C ATOM 417 C ILE A 29 -5.589 -14.674 -3.870 1.00 0.66 C ATOM 418 O ILE A 29 -4.443 -14.435 -4.246 1.00 0.70 O ATOM 419 CB ILE A 29 -6.395 -13.913 -1.640 1.00 0.76 C ATOM 420 CG1 ILE A 29 -7.084 -12.791 -0.871 1.00 1.01 C ATOM 421 CG2 ILE A 29 -4.969 -14.104 -1.140 1.00 0.90 C ATOM 422 CD1 ILE A 29 -8.341 -13.237 -0.167 1.00 1.27 C ATOM 0 H ILE A 29 -8.494 -13.727 -2.995 1.00 0.70 H new ATOM 0 HA ILE A 29 -5.947 -12.633 -3.320 1.00 0.72 H new ATOM 0 HB ILE A 29 -6.944 -14.839 -1.471 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -6.389 -12.383 -0.137 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -7.329 -11.984 -1.561 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -4.984 -14.319 -0.071 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -4.506 -14.936 -1.671 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -4.396 -13.195 -1.319 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -8.782 -12.391 0.361 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -9.052 -13.618 -0.899 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -8.098 -14.024 0.547 1.00 1.27 H new ATOM 426 N GLN A 30 -6.178 -15.849 -4.052 1.00 0.61 N ATOM 427 CA GLN A 30 -5.493 -16.947 -4.722 1.00 0.62 C ATOM 428 C GLN A 30 -4.986 -16.522 -6.098 1.00 0.62 C ATOM 429 O GLN A 30 -3.863 -16.843 -6.483 1.00 0.64 O ATOM 430 CB GLN A 30 -6.425 -18.153 -4.853 1.00 0.68 C ATOM 431 CG GLN A 30 -6.824 -18.765 -3.517 1.00 0.73 C ATOM 432 CD GLN A 30 -5.632 -19.266 -2.724 1.00 0.99 C ATOM 433 OE1 GLN A 30 -5.222 -20.419 -2.861 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.071 -18.402 -1.886 1.00 1.08 N ATOM 0 H GLN A 30 -7.126 -16.066 -3.746 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.632 -17.227 -4.115 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.325 -17.849 -5.387 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.936 -18.915 -5.460 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.361 -18.022 -2.927 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -7.513 -19.592 -3.692 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -5.443 -17.456 -1.804 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.268 -18.684 -1.324 1.00 1.08 H new ATOM 441 N LYS A 31 -5.823 -15.807 -6.841 1.00 0.65 N ATOM 442 CA LYS A 31 -5.455 -15.338 -8.174 1.00 0.72 C ATOM 443 C LYS A 31 -4.388 -14.243 -8.114 1.00 0.72 C ATOM 444 O LYS A 31 -3.551 -14.133 -9.009 1.00 0.76 O ATOM 445 CB LYS A 31 -6.689 -14.814 -8.912 1.00 0.86 C ATOM 446 CG LYS A 31 -7.773 -15.858 -9.103 1.00 1.19 C ATOM 447 CD LYS A 31 -9.026 -15.243 -9.703 1.00 1.49 C ATOM 448 CE LYS A 31 -10.032 -16.309 -10.104 1.00 2.17 C ATOM 449 NZ LYS A 31 -9.462 -17.273 -11.085 1.00 2.84 N ATOM 0 H LYS A 31 -6.761 -15.539 -6.544 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.039 -16.187 -8.716 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.102 -13.971 -8.358 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.385 -14.436 -9.888 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -7.407 -16.652 -9.754 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -8.013 -16.317 -8.144 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -9.481 -14.565 -8.981 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -8.758 -14.647 -10.576 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -10.362 -16.848 -9.216 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -10.913 -15.833 -10.534 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -10.156 -17.452 -11.839 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -8.595 -16.875 -11.500 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -9.236 -18.166 -10.603 1.00 2.84 H new ATOM 463 N GLY A 32 -4.423 -13.440 -7.053 1.00 0.73 N ATOM 464 CA GLY A 32 -3.472 -12.347 -6.914 1.00 0.81 C ATOM 465 C GLY A 32 -2.120 -12.768 -6.367 1.00 0.76 C ATOM 466 O GLY A 32 -1.099 -12.174 -6.713 1.00 0.83 O ATOM 0 H GLY A 32 -5.092 -13.526 -6.287 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -3.328 -11.879 -7.888 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -3.899 -11.590 -6.256 1.00 0.81 H new ATOM 470 N LYS A 33 -2.101 -13.787 -5.515 1.00 0.72 N ATOM 471 CA LYS A 33 -0.854 -14.256 -4.921 1.00 0.76 C ATOM 472 C LYS A 33 0.064 -14.862 -5.977 1.00 0.70 C ATOM 473 O LYS A 33 1.288 -14.816 -5.848 1.00 0.77 O ATOM 474 CB LYS A 33 -1.133 -15.280 -3.817 1.00 0.83 C ATOM 475 CG LYS A 33 -1.798 -16.552 -4.318 1.00 0.79 C ATOM 476 CD LYS A 33 -2.041 -17.547 -3.192 1.00 0.92 C ATOM 477 CE LYS A 33 -0.760 -18.253 -2.775 1.00 1.16 C ATOM 478 NZ LYS A 33 0.145 -17.363 -1.996 1.00 1.82 N ATOM 0 H LYS A 33 -2.931 -14.302 -5.221 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.351 -13.394 -4.483 1.00 0.76 H new ATOM 0 HB2 LYS A 33 -0.194 -15.540 -3.329 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.770 -14.821 -3.060 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -2.747 -16.303 -4.793 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.171 -17.013 -5.081 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.466 -17.027 -2.333 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -2.775 -18.286 -3.512 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -1.009 -19.129 -2.176 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.239 -18.611 -3.663 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 0.615 -17.914 -1.249 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 0.862 -16.957 -2.630 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -0.409 -16.596 -1.564 1.00 1.82 H new ATOM 492 N ASP A 34 -0.530 -15.429 -7.021 1.00 0.64 N ATOM 493 CA ASP A 34 0.241 -16.038 -8.098 1.00 0.65 C ATOM 494 C ASP A 34 0.691 -14.984 -9.103 1.00 0.57 C ATOM 495 O ASP A 34 1.468 -15.273 -10.014 1.00 0.60 O ATOM 496 CB ASP A 34 -0.586 -17.115 -8.803 1.00 0.74 C ATOM 497 CG ASP A 34 -0.947 -18.264 -7.884 1.00 1.17 C ATOM 498 OD1 ASP A 34 -0.026 -18.985 -7.443 1.00 1.17 O ATOM 499 OD2 ASP A 34 -2.149 -18.444 -7.603 1.00 1.89 O ATOM 0 H ASP A 34 -1.541 -15.480 -7.144 1.00 0.64 H new ATOM 0 HA ASP A 34 1.126 -16.501 -7.662 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -1.499 -16.668 -9.196 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -0.026 -17.498 -9.656 1.00 0.74 H new ATOM 504 N ILE A 35 0.198 -13.762 -8.930 1.00 0.52 N ATOM 505 CA ILE A 35 0.546 -12.661 -9.821 1.00 0.48 C ATOM 506 C ILE A 35 1.343 -11.586 -9.084 1.00 0.43 C ATOM 507 O ILE A 35 0.873 -11.011 -8.103 1.00 0.46 O ATOM 508 CB ILE A 35 -0.715 -12.025 -10.439 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.503 -13.078 -11.225 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.338 -10.853 -11.337 1.00 0.55 C ATOM 511 CD1 ILE A 35 -2.839 -12.584 -11.735 1.00 1.28 C ATOM 0 H ILE A 35 -0.445 -13.509 -8.180 1.00 0.52 H new ATOM 0 HA ILE A 35 1.162 -13.077 -10.618 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.346 -11.646 -9.635 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -0.902 -13.412 -12.071 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -1.666 -13.947 -10.588 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -1.241 -10.417 -11.764 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.187 -10.099 -10.750 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.310 -11.204 -12.140 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.338 -13.384 -12.281 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.459 -12.277 -10.893 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.683 -11.734 -12.399 1.00 1.28 H new ATOM 515 N LYS A 36 2.552 -11.320 -9.569 1.00 0.40 N ATOM 516 CA LYS A 36 3.417 -10.313 -8.966 1.00 0.38 C ATOM 517 C LYS A 36 2.909 -8.908 -9.282 1.00 0.38 C ATOM 518 O LYS A 36 3.101 -8.404 -10.389 1.00 0.51 O ATOM 519 CB LYS A 36 4.850 -10.480 -9.474 1.00 0.41 C ATOM 520 CG LYS A 36 5.450 -11.840 -9.152 1.00 1.03 C ATOM 521 CD LYS A 36 6.870 -11.969 -9.681 1.00 1.53 C ATOM 522 CE LYS A 36 7.472 -13.320 -9.330 1.00 2.02 C ATOM 523 NZ LYS A 36 6.691 -14.447 -9.913 1.00 2.58 N ATOM 0 H LYS A 36 2.955 -11.789 -10.380 1.00 0.40 H new ATOM 0 HA LYS A 36 3.405 -10.449 -7.885 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.865 -10.331 -10.554 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.476 -9.702 -9.036 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.449 -11.992 -8.073 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.828 -12.624 -9.585 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.870 -11.839 -10.763 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.489 -11.174 -9.265 1.00 1.53 H new ATOM 0 HE2 LYS A 36 8.499 -13.365 -9.693 1.00 2.02 H new ATOM 0 HE3 LYS A 36 7.512 -13.429 -8.246 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 7.236 -15.328 -9.827 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 5.790 -14.546 -9.403 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 6.501 -14.255 -10.917 1.00 2.58 H new ATOM 537 N GLY A 37 2.254 -8.286 -8.305 1.00 0.45 N ATOM 538 CA GLY A 37 1.728 -6.946 -8.494 1.00 0.49 C ATOM 539 C GLY A 37 2.807 -5.938 -8.839 1.00 0.40 C ATOM 540 O GLY A 37 3.999 -6.242 -8.771 1.00 0.39 O ATOM 0 H GLY A 37 2.078 -8.688 -7.384 1.00 0.45 H new ATOM 0 HA2 GLY A 37 0.983 -6.961 -9.289 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.217 -6.629 -7.585 1.00 0.49 H new ATOM 544 N VAL A 38 2.389 -4.729 -9.201 1.00 0.42 N ATOM 545 CA VAL A 38 3.325 -3.674 -9.567 1.00 0.40 C ATOM 546 C VAL A 38 3.147 -2.446 -8.682 1.00 0.40 C ATOM 547 O VAL A 38 2.035 -2.123 -8.265 1.00 0.48 O ATOM 548 CB VAL A 38 3.149 -3.251 -11.039 1.00 0.51 C ATOM 549 CG1 VAL A 38 4.368 -2.484 -11.528 1.00 0.67 C ATOM 550 CG2 VAL A 38 2.881 -4.463 -11.919 1.00 0.80 C ATOM 0 H VAL A 38 1.407 -4.456 -9.248 1.00 0.42 H new ATOM 0 HA VAL A 38 4.326 -4.082 -9.426 1.00 0.40 H new ATOM 0 HB VAL A 38 2.285 -2.589 -11.103 1.00 0.51 H new ATOM 0 HG11 VAL A 38 4.223 -2.195 -12.569 1.00 0.67 H new ATOM 0 HG12 VAL A 38 4.504 -1.590 -10.919 1.00 0.67 H new ATOM 0 HG13 VAL A 38 5.252 -3.116 -11.447 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.760 -4.142 -12.954 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.720 -5.156 -11.850 1.00 0.80 H new ATOM 0 HG23 VAL A 38 1.971 -4.961 -11.585 1.00 0.80 H new ATOM 554 N SER A 39 4.254 -1.767 -8.399 1.00 0.37 N ATOM 555 CA SER A 39 4.228 -0.571 -7.567 1.00 0.40 C ATOM 556 C SER A 39 5.066 0.539 -8.194 1.00 0.39 C ATOM 557 O SER A 39 6.218 0.323 -8.566 1.00 0.44 O ATOM 558 CB SER A 39 4.749 -0.889 -6.165 1.00 0.47 C ATOM 559 OG SER A 39 3.975 -1.906 -5.551 1.00 1.40 O ATOM 0 H SER A 39 5.182 -2.026 -8.735 1.00 0.37 H new ATOM 0 HA SER A 39 3.196 -0.229 -7.493 1.00 0.40 H new ATOM 0 HB2 SER A 39 5.790 -1.206 -6.224 1.00 0.47 H new ATOM 0 HB3 SER A 39 4.724 0.012 -5.552 1.00 0.47 H new ATOM 0 HG SER A 39 4.330 -2.092 -4.656 1.00 1.40 H new ATOM 565 N GLU A 40 4.480 1.725 -8.311 1.00 0.38 N ATOM 566 CA GLU A 40 5.176 2.866 -8.890 1.00 0.39 C ATOM 567 C GLU A 40 5.033 4.091 -7.995 1.00 0.39 C ATOM 568 O GLU A 40 3.921 4.500 -7.661 1.00 0.45 O ATOM 569 CB GLU A 40 4.633 3.166 -10.288 1.00 0.43 C ATOM 570 CG GLU A 40 4.877 2.047 -11.282 1.00 1.21 C ATOM 571 CD GLU A 40 4.183 2.278 -12.610 1.00 1.54 C ATOM 572 OE1 GLU A 40 4.776 2.946 -13.482 1.00 1.57 O ATOM 573 OE2 GLU A 40 3.046 1.789 -12.777 1.00 2.16 O ATOM 0 H GLU A 40 3.525 1.921 -8.012 1.00 0.38 H new ATOM 0 HA GLU A 40 6.234 2.619 -8.971 1.00 0.39 H new ATOM 0 HB2 GLU A 40 3.562 3.355 -10.221 1.00 0.43 H new ATOM 0 HB3 GLU A 40 5.095 4.080 -10.661 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.949 1.945 -11.451 1.00 1.21 H new ATOM 0 HG3 GLU A 40 4.530 1.106 -10.855 1.00 1.21 H new ATOM 580 N ILE A 41 6.164 4.674 -7.609 1.00 0.39 N ATOM 581 CA ILE A 41 6.154 5.845 -6.742 1.00 0.41 C ATOM 582 C ILE A 41 6.561 7.102 -7.499 1.00 0.40 C ATOM 583 O ILE A 41 7.670 7.191 -8.024 1.00 0.43 O ATOM 584 CB ILE A 41 7.103 5.656 -5.545 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.907 4.264 -4.935 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.865 6.742 -4.505 1.00 0.55 C ATOM 587 CD1 ILE A 41 7.940 3.903 -3.890 1.00 1.16 C ATOM 0 H ILE A 41 7.094 4.356 -7.882 1.00 0.39 H new ATOM 0 HA ILE A 41 5.132 5.961 -6.381 1.00 0.41 H new ATOM 0 HB ILE A 41 8.133 5.739 -5.892 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.915 4.211 -4.485 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.936 3.521 -5.732 1.00 0.57 H new ATOM 0 HG21 ILE A 41 7.543 6.596 -3.664 1.00 0.55 H new ATOM 0 HG22 ILE A 41 7.047 7.720 -4.952 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.835 6.690 -4.153 1.00 0.55 H new ATOM 0 HD11 ILE A 41 7.735 2.904 -3.505 1.00 1.16 H new ATOM 0 HD12 ILE A 41 8.933 3.922 -4.338 1.00 1.16 H new ATOM 0 HD13 ILE A 41 7.897 4.623 -3.072 1.00 1.16 H new ATOM 591 N VAL A 42 5.654 8.070 -7.550 1.00 0.39 N ATOM 592 CA VAL A 42 5.918 9.331 -8.231 1.00 0.41 C ATOM 593 C VAL A 42 6.102 10.460 -7.225 1.00 0.41 C ATOM 594 O VAL A 42 5.169 10.821 -6.511 1.00 0.42 O ATOM 595 CB VAL A 42 4.775 9.698 -9.198 1.00 0.45 C ATOM 596 CG1 VAL A 42 5.098 10.982 -9.946 1.00 0.52 C ATOM 597 CG2 VAL A 42 4.510 8.558 -10.170 1.00 0.50 C ATOM 0 H VAL A 42 4.728 8.005 -7.127 1.00 0.39 H new ATOM 0 HA VAL A 42 6.836 9.201 -8.804 1.00 0.41 H new ATOM 0 HB VAL A 42 3.870 9.864 -8.614 1.00 0.45 H new ATOM 0 HG11 VAL A 42 4.279 11.224 -10.624 1.00 0.52 H new ATOM 0 HG12 VAL A 42 5.231 11.795 -9.232 1.00 0.52 H new ATOM 0 HG13 VAL A 42 6.016 10.848 -10.519 1.00 0.52 H new ATOM 0 HG21 VAL A 42 3.700 8.836 -10.844 1.00 0.50 H new ATOM 0 HG22 VAL A 42 5.411 8.357 -10.749 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.229 7.664 -9.614 1.00 0.50 H new ATOM 601 N HIS A 43 7.306 11.016 -7.173 1.00 0.45 N ATOM 602 CA HIS A 43 7.602 12.106 -6.251 1.00 0.48 C ATOM 603 C HIS A 43 7.634 13.443 -6.985 1.00 0.51 C ATOM 604 O HIS A 43 8.478 13.663 -7.855 1.00 0.58 O ATOM 605 CB HIS A 43 8.938 11.858 -5.544 1.00 0.57 C ATOM 606 CG HIS A 43 9.452 13.049 -4.795 1.00 0.72 C ATOM 607 ND1 HIS A 43 10.398 13.910 -5.311 1.00 1.30 N ATOM 608 CD2 HIS A 43 9.146 13.523 -3.565 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.653 14.860 -4.428 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.905 14.648 -3.361 1.00 0.87 N ATOM 0 H HIS A 43 8.092 10.731 -7.757 1.00 0.45 H new ATOM 0 HA HIS A 43 6.810 12.144 -5.503 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.823 11.025 -4.850 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.680 11.557 -6.283 1.00 0.57 H new ATOM 0 HD2 HIS A 43 8.436 13.095 -2.872 1.00 0.78 H new ATOM 0 HE1 HIS A 43 11.354 15.671 -4.557 1.00 1.31 H new ATOM 0 HE2 HIS A 43 9.893 15.227 -2.521 1.00 0.87 H new ATOM 619 N GLU A 44 6.709 14.332 -6.632 1.00 0.51 N ATOM 620 CA GLU A 44 6.636 15.644 -7.264 1.00 0.58 C ATOM 621 C GLU A 44 6.364 16.744 -6.239 1.00 0.61 C ATOM 622 O GLU A 44 5.227 16.930 -5.805 1.00 0.64 O ATOM 623 CB GLU A 44 5.544 15.654 -8.335 1.00 0.63 C ATOM 624 CG GLU A 44 5.527 16.920 -9.174 1.00 1.32 C ATOM 625 CD GLU A 44 4.445 16.899 -10.237 1.00 1.93 C ATOM 626 OE1 GLU A 44 4.640 16.222 -11.269 1.00 2.53 O ATOM 627 OE2 GLU A 44 3.405 17.561 -10.037 1.00 2.45 O ATOM 0 H GLU A 44 6.003 14.168 -5.915 1.00 0.51 H new ATOM 0 HA GLU A 44 7.602 15.843 -7.728 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.683 14.795 -8.991 1.00 0.63 H new ATOM 0 HB3 GLU A 44 4.573 15.534 -7.854 1.00 0.63 H new ATOM 0 HG2 GLU A 44 5.375 17.781 -8.523 1.00 1.32 H new ATOM 0 HG3 GLU A 44 6.498 17.048 -9.652 1.00 1.32 H new ATOM 634 N GLY A 45 7.416 17.467 -5.863 1.00 0.65 N ATOM 635 CA GLY A 45 7.283 18.555 -4.904 1.00 0.70 C ATOM 636 C GLY A 45 6.455 18.194 -3.684 1.00 0.81 C ATOM 637 O GLY A 45 5.343 18.697 -3.515 1.00 1.77 O ATOM 0 H GLY A 45 8.365 17.319 -6.207 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.276 18.865 -4.579 1.00 0.70 H new ATOM 0 HA3 GLY A 45 6.828 19.412 -5.401 1.00 0.70 H new ATOM 641 N LYS A 46 6.993 17.315 -2.838 1.00 0.68 N ATOM 642 CA LYS A 46 6.315 16.886 -1.610 1.00 0.64 C ATOM 643 C LYS A 46 5.073 16.041 -1.900 1.00 0.57 C ATOM 644 O LYS A 46 4.610 15.297 -1.034 1.00 0.60 O ATOM 645 CB LYS A 46 5.927 18.098 -0.758 1.00 0.69 C ATOM 646 CG LYS A 46 7.092 19.010 -0.428 1.00 1.50 C ATOM 647 CD LYS A 46 6.659 20.152 0.474 1.00 1.65 C ATOM 648 CE LYS A 46 7.831 21.048 0.829 1.00 2.57 C ATOM 649 NZ LYS A 46 7.401 22.259 1.579 1.00 3.15 N ATOM 0 H LYS A 46 7.905 16.881 -2.981 1.00 0.68 H new ATOM 0 HA LYS A 46 7.021 16.264 -1.059 1.00 0.64 H new ATOM 0 HB2 LYS A 46 5.165 18.673 -1.285 1.00 0.69 H new ATOM 0 HB3 LYS A 46 5.476 17.749 0.171 1.00 0.69 H new ATOM 0 HG2 LYS A 46 7.879 18.436 0.061 1.00 1.50 H new ATOM 0 HG3 LYS A 46 7.515 19.411 -1.349 1.00 1.50 H new ATOM 0 HD2 LYS A 46 5.887 20.739 -0.024 1.00 1.65 H new ATOM 0 HD3 LYS A 46 6.216 19.751 1.385 1.00 1.65 H new ATOM 0 HE2 LYS A 46 8.548 20.486 1.428 1.00 2.57 H new ATOM 0 HE3 LYS A 46 8.345 21.350 -0.083 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 8.232 22.843 1.801 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 6.737 22.809 0.998 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 6.933 21.972 2.462 1.00 3.15 H new ATOM 663 N LYS A 47 4.534 16.153 -3.109 1.00 0.55 N ATOM 664 CA LYS A 47 3.348 15.394 -3.483 1.00 0.52 C ATOM 665 C LYS A 47 3.741 14.063 -4.108 1.00 0.47 C ATOM 666 O LYS A 47 4.235 14.015 -5.234 1.00 0.53 O ATOM 667 CB LYS A 47 2.486 16.198 -4.459 1.00 0.61 C ATOM 668 CG LYS A 47 2.110 17.577 -3.943 1.00 1.25 C ATOM 669 CD LYS A 47 1.227 18.323 -4.930 1.00 1.65 C ATOM 670 CE LYS A 47 1.996 18.707 -6.182 1.00 2.25 C ATOM 671 NZ LYS A 47 1.154 19.481 -7.135 1.00 2.71 N ATOM 0 H LYS A 47 4.898 16.760 -3.844 1.00 0.55 H new ATOM 0 HA LYS A 47 2.768 15.198 -2.581 1.00 0.52 H new ATOM 0 HB2 LYS A 47 3.023 16.306 -5.401 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.575 15.638 -4.673 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.590 17.480 -2.990 1.00 1.25 H new ATOM 0 HG3 LYS A 47 3.015 18.155 -3.755 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.375 17.700 -5.201 1.00 1.65 H new ATOM 0 HD3 LYS A 47 0.828 19.220 -4.457 1.00 1.65 H new ATOM 0 HE2 LYS A 47 2.868 19.299 -5.905 1.00 2.25 H new ATOM 0 HE3 LYS A 47 2.365 17.806 -6.672 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 1.715 19.724 -7.976 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 0.335 18.907 -7.419 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 0.823 20.354 -6.676 1.00 2.71 H new ATOM 685 N VAL A 48 3.515 12.981 -3.371 1.00 0.44 N ATOM 686 CA VAL A 48 3.855 11.648 -3.848 1.00 0.44 C ATOM 687 C VAL A 48 2.606 10.837 -4.173 1.00 0.43 C ATOM 688 O VAL A 48 1.694 10.728 -3.353 1.00 0.52 O ATOM 689 CB VAL A 48 4.700 10.883 -2.813 1.00 0.50 C ATOM 690 CG1 VAL A 48 5.142 9.537 -3.365 1.00 1.36 C ATOM 691 CG2 VAL A 48 5.903 11.711 -2.388 1.00 1.31 C ATOM 0 H VAL A 48 3.098 13.002 -2.441 1.00 0.44 H new ATOM 0 HA VAL A 48 4.439 11.779 -4.759 1.00 0.44 H new ATOM 0 HB VAL A 48 4.081 10.702 -1.934 1.00 0.50 H new ATOM 0 HG11 VAL A 48 5.738 9.015 -2.616 1.00 1.36 H new ATOM 0 HG12 VAL A 48 4.265 8.939 -3.612 1.00 1.36 H new ATOM 0 HG13 VAL A 48 5.741 9.691 -4.262 1.00 1.36 H new ATOM 0 HG21 VAL A 48 6.488 11.154 -1.656 1.00 1.31 H new ATOM 0 HG22 VAL A 48 6.522 11.927 -3.259 1.00 1.31 H new ATOM 0 HG23 VAL A 48 5.562 12.646 -1.944 1.00 1.31 H new ATOM 695 N LYS A 49 2.574 10.272 -5.376 1.00 0.43 N ATOM 696 CA LYS A 49 1.442 9.465 -5.812 1.00 0.44 C ATOM 697 C LYS A 49 1.809 7.986 -5.826 1.00 0.42 C ATOM 698 O LYS A 49 2.874 7.605 -6.313 1.00 0.44 O ATOM 699 CB LYS A 49 0.984 9.902 -7.206 1.00 0.51 C ATOM 700 CG LYS A 49 0.485 11.336 -7.257 1.00 1.22 C ATOM 701 CD LYS A 49 0.055 11.730 -8.663 1.00 1.35 C ATOM 702 CE LYS A 49 -1.131 10.906 -9.138 1.00 1.95 C ATOM 703 NZ LYS A 49 -1.571 11.303 -10.504 1.00 2.54 N ATOM 0 H LYS A 49 3.320 10.359 -6.066 1.00 0.43 H new ATOM 0 HA LYS A 49 0.625 9.614 -5.106 1.00 0.44 H new ATOM 0 HB2 LYS A 49 1.813 9.789 -7.904 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.190 9.237 -7.544 1.00 0.51 H new ATOM 0 HG2 LYS A 49 -0.355 11.454 -6.573 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.272 12.008 -6.915 1.00 1.22 H new ATOM 0 HD2 LYS A 49 -0.206 12.788 -8.681 1.00 1.35 H new ATOM 0 HD3 LYS A 49 0.890 11.596 -9.350 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.863 9.849 -9.136 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -1.960 11.027 -8.440 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -2.381 10.718 -10.791 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 -1.851 12.305 -10.501 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 -0.789 11.164 -11.175 1.00 2.54 H new ATOM 717 N LEU A 50 0.923 7.156 -5.286 1.00 0.40 N ATOM 718 CA LEU A 50 1.158 5.718 -5.237 1.00 0.40 C ATOM 719 C LEU A 50 0.285 4.997 -6.258 1.00 0.36 C ATOM 720 O LEU A 50 -0.937 5.150 -6.262 1.00 0.38 O ATOM 721 CB LEU A 50 0.872 5.182 -3.828 1.00 0.48 C ATOM 722 CG LEU A 50 1.746 4.005 -3.379 1.00 0.74 C ATOM 723 CD1 LEU A 50 1.535 2.796 -4.277 1.00 1.34 C ATOM 724 CD2 LEU A 50 3.214 4.405 -3.360 1.00 1.69 C ATOM 0 H LEU A 50 0.037 7.454 -4.877 1.00 0.40 H new ATOM 0 HA LEU A 50 2.204 5.531 -5.481 1.00 0.40 H new ATOM 0 HB2 LEU A 50 0.998 5.997 -3.116 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.173 4.875 -3.780 1.00 0.48 H new ATOM 0 HG LEU A 50 1.448 3.731 -2.367 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.167 1.975 -3.937 1.00 1.34 H new ATOM 0 HD12 LEU A 50 0.490 2.490 -4.236 1.00 1.34 H new ATOM 0 HD13 LEU A 50 1.797 3.055 -5.303 1.00 1.34 H new ATOM 0 HD21 LEU A 50 3.818 3.557 -3.039 1.00 1.69 H new ATOM 0 HD22 LEU A 50 3.521 4.711 -4.360 1.00 1.69 H new ATOM 0 HD23 LEU A 50 3.356 5.235 -2.667 1.00 1.69 H new ATOM 730 N THR A 51 0.919 4.210 -7.122 1.00 0.36 N ATOM 731 CA THR A 51 0.198 3.469 -8.147 1.00 0.37 C ATOM 732 C THR A 51 0.427 1.966 -8.008 1.00 0.39 C ATOM 733 O THR A 51 1.567 1.506 -7.946 1.00 0.45 O ATOM 734 CB THR A 51 0.622 3.911 -9.562 1.00 0.47 C ATOM 735 OG1 THR A 51 0.419 5.322 -9.716 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.170 3.165 -10.627 1.00 0.63 C ATOM 0 H THR A 51 1.929 4.070 -7.131 1.00 0.36 H new ATOM 0 HA THR A 51 -0.861 3.686 -8.006 1.00 0.37 H new ATOM 0 HB THR A 51 1.679 3.677 -9.687 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.692 5.595 -10.617 1.00 0.61 H new ATOM 0 HG21 THR A 51 0.149 3.496 -11.616 1.00 0.63 H new ATOM 0 HG22 THR A 51 0.006 2.094 -10.528 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.233 3.371 -10.501 1.00 0.63 H new ATOM 741 N ILE A 52 -0.665 1.210 -7.955 1.00 0.41 N ATOM 742 CA ILE A 52 -0.591 -0.241 -7.831 1.00 0.47 C ATOM 743 C ILE A 52 -1.462 -0.911 -8.890 1.00 0.56 C ATOM 744 O ILE A 52 -2.653 -0.621 -8.999 1.00 0.63 O ATOM 745 CB ILE A 52 -1.036 -0.713 -6.433 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.178 -0.058 -5.345 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.962 -2.230 -6.334 1.00 1.10 C ATOM 748 CD1 ILE A 52 1.287 -0.442 -5.406 1.00 1.76 C ATOM 0 H ILE A 52 -1.615 1.580 -7.996 1.00 0.41 H new ATOM 0 HA ILE A 52 0.451 -0.527 -7.978 1.00 0.47 H new ATOM 0 HB ILE A 52 -2.072 -0.409 -6.280 1.00 0.55 H new ATOM 0 HG12 ILE A 52 -0.264 1.025 -5.431 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.575 -0.333 -4.368 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -1.280 -2.546 -5.340 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.617 -2.676 -7.083 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.063 -2.556 -6.508 1.00 1.10 H new ATOM 0 HD11 ILE A 52 1.829 0.061 -4.605 1.00 1.76 H new ATOM 0 HD12 ILE A 52 1.385 -1.521 -5.289 1.00 1.76 H new ATOM 0 HD13 ILE A 52 1.702 -0.142 -6.368 1.00 1.76 H new ATOM 752 N THR A 53 -0.863 -1.809 -9.668 1.00 0.63 N ATOM 753 CA THR A 53 -1.591 -2.502 -10.724 1.00 0.76 C ATOM 754 C THR A 53 -1.790 -3.979 -10.402 1.00 0.81 C ATOM 755 O THR A 53 -0.845 -4.681 -10.040 1.00 0.80 O ATOM 756 CB THR A 53 -0.855 -2.381 -12.074 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.668 -1.000 -12.408 1.00 0.87 O ATOM 758 CG2 THR A 53 -1.628 -3.076 -13.184 1.00 1.00 C ATOM 0 H THR A 53 0.119 -2.072 -9.587 1.00 0.63 H new ATOM 0 HA THR A 53 -2.568 -2.023 -10.794 1.00 0.76 H new ATOM 0 HB THR A 53 0.116 -2.867 -11.974 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.199 -0.932 -13.266 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.085 -2.974 -14.124 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.740 -4.133 -12.942 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.613 -2.620 -13.282 1.00 1.00 H new ATOM 763 N TYR A 54 -3.030 -4.442 -10.539 1.00 0.93 N ATOM 764 CA TYR A 54 -3.364 -5.839 -10.286 1.00 1.04 C ATOM 765 C TYR A 54 -3.971 -6.479 -11.529 1.00 1.18 C ATOM 766 O TYR A 54 -5.101 -6.169 -11.906 1.00 1.53 O ATOM 767 CB TYR A 54 -4.339 -5.957 -9.113 1.00 1.11 C ATOM 768 CG TYR A 54 -3.718 -5.656 -7.768 1.00 1.63 C ATOM 769 CD1 TYR A 54 -2.685 -6.439 -7.267 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.161 -4.586 -7.003 1.00 2.57 C ATOM 771 CE1 TYR A 54 -2.112 -6.162 -6.041 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.594 -4.302 -5.776 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.579 -5.113 -5.290 1.00 3.28 C ATOM 774 OH TYR A 54 -2.003 -4.815 -4.078 1.00 4.18 O ATOM 0 H TYR A 54 -3.822 -3.867 -10.825 1.00 0.93 H new ATOM 0 HA TYR A 54 -2.444 -6.365 -10.032 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.174 -5.276 -9.277 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -4.750 -6.966 -9.095 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.325 -7.277 -7.845 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.963 -3.965 -7.374 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.298 -6.770 -5.674 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.938 -3.456 -5.200 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.457 -4.042 -3.681 1.00 4.18 H new ATOM 784 N GLY A 55 -3.217 -7.373 -12.160 1.00 1.09 N ATOM 785 CA GLY A 55 -3.702 -8.040 -13.354 1.00 1.20 C ATOM 786 C GLY A 55 -3.859 -7.094 -14.531 1.00 1.22 C ATOM 787 O GLY A 55 -2.965 -6.987 -15.370 1.00 2.00 O ATOM 0 H GLY A 55 -2.280 -7.647 -11.866 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -3.012 -8.839 -13.625 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -4.663 -8.508 -13.139 1.00 1.20 H new ATOM 791 N SER A 56 -4.996 -6.406 -14.591 1.00 0.89 N ATOM 792 CA SER A 56 -5.265 -5.468 -15.676 1.00 1.23 C ATOM 793 C SER A 56 -5.923 -4.194 -15.152 1.00 1.14 C ATOM 794 O SER A 56 -6.476 -3.408 -15.924 1.00 1.30 O ATOM 795 CB SER A 56 -6.162 -6.119 -16.729 1.00 1.66 C ATOM 796 OG SER A 56 -7.406 -6.505 -16.170 1.00 2.20 O ATOM 0 H SER A 56 -5.745 -6.480 -13.902 1.00 0.89 H new ATOM 0 HA SER A 56 -4.312 -5.200 -16.131 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.329 -5.422 -17.550 1.00 1.66 H new ATOM 0 HB3 SER A 56 -5.662 -6.992 -17.148 1.00 1.66 H new ATOM 0 HG SER A 56 -7.962 -6.917 -16.863 1.00 2.20 H new ATOM 802 N LYS A 57 -5.857 -3.993 -13.840 1.00 0.92 N ATOM 803 CA LYS A 57 -6.443 -2.811 -13.216 1.00 0.86 C ATOM 804 C LYS A 57 -5.361 -1.893 -12.667 1.00 0.77 C ATOM 805 O LYS A 57 -4.411 -2.347 -12.031 1.00 0.77 O ATOM 806 CB LYS A 57 -7.395 -3.211 -12.091 1.00 0.89 C ATOM 807 CG LYS A 57 -8.041 -2.023 -11.396 1.00 0.91 C ATOM 808 CD LYS A 57 -8.989 -2.475 -10.301 1.00 1.02 C ATOM 809 CE LYS A 57 -10.306 -2.974 -10.873 1.00 1.79 C ATOM 810 NZ LYS A 57 -11.013 -1.914 -11.642 1.00 2.51 N ATOM 0 H LYS A 57 -5.404 -4.633 -13.188 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.003 -2.275 -13.982 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.176 -3.854 -12.497 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.848 -3.800 -11.355 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.268 -1.384 -10.970 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.584 -1.423 -12.126 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -8.521 -3.268 -9.718 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.179 -1.647 -9.618 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -10.119 -3.830 -11.522 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -10.946 -3.322 -10.062 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -12.026 -2.141 -11.696 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -10.888 -0.998 -11.166 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -10.619 -1.861 -12.603 1.00 2.51 H new ATOM 824 N VAL A 58 -5.511 -0.597 -12.916 1.00 0.75 N ATOM 825 CA VAL A 58 -4.548 0.388 -12.441 1.00 0.70 C ATOM 826 C VAL A 58 -5.153 1.236 -11.329 1.00 0.63 C ATOM 827 O VAL A 58 -6.226 1.817 -11.492 1.00 0.66 O ATOM 828 CB VAL A 58 -4.072 1.310 -13.579 1.00 0.76 C ATOM 829 CG1 VAL A 58 -2.968 2.239 -13.093 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.602 0.492 -14.773 1.00 1.31 C ATOM 0 H VAL A 58 -6.290 -0.205 -13.444 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.689 -0.162 -12.057 1.00 0.70 H new ATOM 0 HB VAL A 58 -4.916 1.922 -13.897 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -2.646 2.882 -13.913 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -3.344 2.854 -12.275 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -2.122 1.647 -12.743 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.270 1.163 -15.566 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -2.775 -0.150 -14.471 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -4.424 -0.123 -15.139 1.00 1.31 H new ATOM 834 N ILE A 59 -4.459 1.304 -10.197 1.00 0.59 N ATOM 835 CA ILE A 59 -4.927 2.080 -9.056 1.00 0.56 C ATOM 836 C ILE A 59 -4.017 3.276 -8.802 1.00 0.50 C ATOM 837 O ILE A 59 -2.840 3.111 -8.489 1.00 0.48 O ATOM 838 CB ILE A 59 -4.994 1.218 -7.779 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.910 0.008 -7.993 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.470 2.051 -6.595 1.00 0.79 C ATOM 841 CD1 ILE A 59 -7.349 0.372 -8.301 1.00 1.60 C ATOM 0 H ILE A 59 -3.569 0.830 -10.046 1.00 0.59 H new ATOM 0 HA ILE A 59 -5.930 2.432 -9.299 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.991 0.852 -7.558 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -5.515 -0.594 -8.811 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.887 -0.615 -7.099 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.511 1.426 -5.703 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.777 2.876 -6.428 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.463 2.448 -6.805 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -7.933 -0.538 -8.439 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -7.764 0.947 -7.473 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -7.386 0.969 -9.212 1.00 1.60 H new ATOM 845 N HIS A 60 -4.568 4.476 -8.942 1.00 0.50 N ATOM 846 CA HIS A 60 -3.798 5.698 -8.725 1.00 0.48 C ATOM 847 C HIS A 60 -4.317 6.470 -7.514 1.00 0.49 C ATOM 848 O HIS A 60 -5.525 6.611 -7.327 1.00 0.57 O ATOM 849 CB HIS A 60 -3.846 6.586 -9.971 1.00 0.55 C ATOM 850 CG HIS A 60 -5.220 7.082 -10.306 1.00 1.14 C ATOM 851 ND1 HIS A 60 -5.729 8.270 -9.826 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.192 6.544 -11.080 1.00 2.15 C ATOM 853 CE1 HIS A 60 -6.954 8.441 -10.288 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.257 7.409 -11.053 1.00 2.74 N ATOM 0 H HIS A 60 -5.542 4.630 -9.204 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.765 5.412 -8.530 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.187 7.441 -9.822 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.455 6.026 -10.820 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.139 5.609 -11.618 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -7.598 9.282 -10.076 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.141 7.276 -11.545 1.00 2.74 H new ATOM 863 N ASN A 61 -3.392 6.966 -6.695 1.00 0.45 N ATOM 864 CA ASN A 61 -3.750 7.727 -5.501 1.00 0.50 C ATOM 865 C ASN A 61 -2.816 8.922 -5.318 1.00 0.47 C ATOM 866 O ASN A 61 -1.719 8.953 -5.873 1.00 0.69 O ATOM 867 CB ASN A 61 -3.696 6.831 -4.261 1.00 0.58 C ATOM 868 CG ASN A 61 -4.809 5.799 -4.236 1.00 0.86 C ATOM 869 OD1 ASN A 61 -5.982 6.178 -4.730 1.00 1.79 O flip ATOM 870 ND2 ASN A 61 -4.618 4.675 -3.768 1.00 1.01 N flip ATOM 0 H ASN A 61 -2.388 6.854 -6.837 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.767 8.097 -5.629 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -2.733 6.322 -4.227 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -3.760 7.451 -3.367 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -3.701 4.425 -3.399 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -5.377 3.994 -3.750 1.00 1.01 H new ATOM 875 N GLU A 62 -3.261 9.900 -4.534 1.00 0.49 N ATOM 876 CA GLU A 62 -2.467 11.097 -4.274 1.00 0.50 C ATOM 877 C GLU A 62 -2.550 11.495 -2.802 1.00 0.49 C ATOM 878 O GLU A 62 -3.629 11.491 -2.209 1.00 0.57 O ATOM 879 CB GLU A 62 -2.946 12.252 -5.158 1.00 0.69 C ATOM 880 CG GLU A 62 -2.154 13.536 -4.968 1.00 1.45 C ATOM 881 CD GLU A 62 -2.679 14.673 -5.823 1.00 1.63 C ATOM 882 OE1 GLU A 62 -2.234 14.800 -6.983 1.00 2.01 O ATOM 883 OE2 GLU A 62 -3.536 15.438 -5.332 1.00 1.80 O ATOM 0 H GLU A 62 -4.168 9.887 -4.067 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.427 10.875 -4.512 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -2.883 11.948 -6.203 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -3.997 12.449 -4.946 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -2.189 13.829 -3.919 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -1.108 13.354 -5.214 1.00 1.45 H new ATOM 890 N PHE A 63 -1.403 11.834 -2.219 1.00 0.44 N ATOM 891 CA PHE A 63 -1.343 12.229 -0.813 1.00 0.45 C ATOM 892 C PHE A 63 -0.228 13.242 -0.569 1.00 0.44 C ATOM 893 O PHE A 63 0.776 13.258 -1.281 1.00 0.45 O ATOM 894 CB PHE A 63 -1.134 11.000 0.072 1.00 0.49 C ATOM 895 CG PHE A 63 -0.003 10.118 -0.379 1.00 0.70 C ATOM 896 CD1 PHE A 63 1.291 10.357 0.052 1.00 0.98 C ATOM 897 CD2 PHE A 63 -0.235 9.054 -1.235 1.00 1.10 C ATOM 898 CE1 PHE A 63 2.333 9.550 -0.360 1.00 1.45 C ATOM 899 CE2 PHE A 63 0.803 8.243 -1.651 1.00 1.54 C ATOM 900 CZ PHE A 63 2.085 8.486 -1.213 1.00 1.66 C ATOM 0 H PHE A 63 -0.502 11.843 -2.698 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.292 12.700 -0.557 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -0.943 11.327 1.094 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.054 10.416 0.091 1.00 0.49 H new ATOM 0 HD1 PHE A 63 1.488 11.184 0.718 1.00 0.98 H new ATOM 0 HD2 PHE A 63 -1.239 8.856 -1.581 1.00 1.10 H new ATOM 0 HE1 PHE A 63 3.338 9.747 -0.019 1.00 1.45 H new ATOM 0 HE2 PHE A 63 0.609 7.418 -2.320 1.00 1.54 H new ATOM 0 HZ PHE A 63 2.896 7.849 -1.533 1.00 1.66 H new ATOM 910 N THR A 64 -0.414 14.086 0.444 1.00 0.47 N ATOM 911 CA THR A 64 0.576 15.101 0.786 1.00 0.49 C ATOM 912 C THR A 64 1.310 14.738 2.074 1.00 0.49 C ATOM 913 O THR A 64 0.685 14.456 3.096 1.00 0.55 O ATOM 914 CB THR A 64 -0.071 16.490 0.953 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.882 16.794 -0.188 1.00 0.62 O ATOM 916 CG2 THR A 64 0.993 17.564 1.122 1.00 0.62 C ATOM 0 H THR A 64 -1.241 14.086 1.041 1.00 0.47 H new ATOM 0 HA THR A 64 1.287 15.139 -0.040 1.00 0.49 H new ATOM 0 HB THR A 64 -0.694 16.471 1.847 1.00 0.57 H new ATOM 0 HG1 THR A 64 -1.291 17.677 -0.073 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.514 18.536 1.238 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.592 17.347 2.006 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.637 17.580 0.243 1.00 0.62 H new ATOM 921 N LEU A 65 2.640 14.747 2.016 1.00 0.47 N ATOM 922 CA LEU A 65 3.457 14.424 3.181 1.00 0.50 C ATOM 923 C LEU A 65 3.167 15.384 4.329 1.00 0.53 C ATOM 924 O LEU A 65 3.050 16.593 4.125 1.00 0.99 O ATOM 925 CB LEU A 65 4.946 14.476 2.824 1.00 0.72 C ATOM 926 CG LEU A 65 5.395 13.485 1.745 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.865 13.687 1.417 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.142 12.053 2.193 1.00 1.42 C ATOM 0 H LEU A 65 3.173 14.974 1.176 1.00 0.47 H new ATOM 0 HA LEU A 65 3.204 13.413 3.499 1.00 0.50 H new ATOM 0 HB2 LEU A 65 5.188 15.485 2.491 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.526 14.291 3.728 1.00 0.72 H new ATOM 0 HG LEU A 65 4.810 13.671 0.844 1.00 1.05 H new ATOM 0 HD11 LEU A 65 7.168 12.975 0.649 1.00 1.57 H new ATOM 0 HD12 LEU A 65 7.020 14.702 1.052 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.463 13.529 2.314 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.468 11.365 1.413 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.700 11.854 3.108 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.077 11.913 2.379 1.00 1.42 H new ATOM 934 N GLY A 66 3.052 14.839 5.536 1.00 0.46 N ATOM 935 CA GLY A 66 2.772 15.662 6.699 1.00 0.60 C ATOM 936 C GLY A 66 1.429 16.357 6.602 1.00 0.61 C ATOM 937 O GLY A 66 1.273 17.488 7.066 1.00 0.80 O ATOM 0 H GLY A 66 3.148 13.842 5.730 1.00 0.46 H new ATOM 0 HA2 GLY A 66 2.793 15.041 7.594 1.00 0.60 H new ATOM 0 HA3 GLY A 66 3.558 16.409 6.810 1.00 0.60 H new ATOM 941 N GLU A 67 0.456 15.682 5.997 1.00 0.54 N ATOM 942 CA GLU A 67 -0.879 16.246 5.833 1.00 0.57 C ATOM 943 C GLU A 67 -1.928 15.146 5.675 1.00 0.55 C ATOM 944 O GLU A 67 -1.783 14.252 4.841 1.00 0.55 O ATOM 945 CB GLU A 67 -0.906 17.174 4.617 1.00 0.60 C ATOM 946 CG GLU A 67 -2.247 17.850 4.389 1.00 1.30 C ATOM 947 CD GLU A 67 -2.225 18.805 3.213 1.00 1.85 C ATOM 948 OE1 GLU A 67 -1.867 19.985 3.411 1.00 2.66 O ATOM 949 OE2 GLU A 67 -2.568 18.373 2.092 1.00 2.14 O ATOM 0 H GLU A 67 0.567 14.744 5.612 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.120 16.817 6.730 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.140 17.940 4.740 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -0.644 16.600 3.728 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -3.009 17.089 4.220 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -2.533 18.394 5.289 1.00 1.30 H new ATOM 956 N GLU A 68 -2.982 15.219 6.485 1.00 0.60 N ATOM 957 CA GLU A 68 -4.059 14.233 6.436 1.00 0.61 C ATOM 958 C GLU A 68 -4.937 14.451 5.207 1.00 0.63 C ATOM 959 O GLU A 68 -5.546 15.508 5.047 1.00 0.71 O ATOM 960 CB GLU A 68 -4.913 14.319 7.704 1.00 0.71 C ATOM 961 CG GLU A 68 -6.037 13.295 7.750 1.00 0.74 C ATOM 962 CD GLU A 68 -6.854 13.384 9.022 1.00 1.01 C ATOM 963 OE1 GLU A 68 -7.827 14.167 9.050 1.00 1.05 O ATOM 964 OE2 GLU A 68 -6.523 12.671 9.993 1.00 1.32 O ATOM 0 H GLU A 68 -3.113 15.951 7.183 1.00 0.60 H new ATOM 0 HA GLU A 68 -3.610 13.242 6.372 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -4.271 14.182 8.574 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -5.340 15.319 7.777 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -6.692 13.441 6.891 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -5.615 12.294 7.663 1.00 0.74 H new ATOM 971 N CYS A 69 -4.995 13.443 4.342 1.00 0.61 N ATOM 972 CA CYS A 69 -5.803 13.520 3.130 1.00 0.67 C ATOM 973 C CYS A 69 -6.872 12.433 3.126 1.00 0.67 C ATOM 974 O CYS A 69 -6.737 11.415 3.806 1.00 0.64 O ATOM 975 CB CYS A 69 -4.920 13.383 1.889 1.00 0.73 C ATOM 976 SG CYS A 69 -5.790 13.667 0.330 1.00 1.86 S ATOM 0 H CYS A 69 -4.492 12.563 4.458 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.293 14.494 3.111 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -4.093 14.089 1.965 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.486 12.383 1.874 1.00 0.73 H new ATOM 0 HG CYS A 69 -4.960 13.531 -0.661 1.00 1.86 H new ATOM 982 N GLU A 70 -7.932 12.653 2.359 1.00 0.75 N ATOM 983 CA GLU A 70 -9.025 11.691 2.271 1.00 0.77 C ATOM 984 C GLU A 70 -8.853 10.775 1.065 1.00 0.81 C ATOM 985 O GLU A 70 -8.807 11.238 -0.076 1.00 0.87 O ATOM 986 CB GLU A 70 -10.369 12.416 2.187 1.00 0.84 C ATOM 987 CG GLU A 70 -11.563 11.479 2.086 1.00 0.91 C ATOM 988 CD GLU A 70 -12.877 12.222 1.958 1.00 1.22 C ATOM 989 OE1 GLU A 70 -13.177 12.712 0.850 1.00 1.71 O ATOM 990 OE2 GLU A 70 -13.608 12.314 2.969 1.00 1.25 O ATOM 0 H GLU A 70 -8.059 13.489 1.788 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.006 11.080 3.173 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.487 13.047 3.068 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -10.362 13.077 1.320 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.435 10.824 1.224 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.595 10.841 2.969 1.00 0.91 H new ATOM 997 N LEU A 71 -8.760 9.476 1.326 1.00 0.83 N ATOM 998 CA LEU A 71 -8.598 8.491 0.264 1.00 0.91 C ATOM 999 C LEU A 71 -9.763 7.511 0.256 1.00 0.94 C ATOM 1000 O LEU A 71 -10.290 7.148 1.307 1.00 0.96 O ATOM 1001 CB LEU A 71 -7.279 7.733 0.437 1.00 0.99 C ATOM 1002 CG LEU A 71 -7.080 6.555 -0.520 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -6.996 7.041 -1.959 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.832 5.772 -0.145 1.00 1.91 C ATOM 0 H LEU A 71 -8.794 9.080 2.266 1.00 0.83 H new ATOM 0 HA LEU A 71 -8.581 9.019 -0.690 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -6.455 8.433 0.304 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -7.221 7.364 1.461 1.00 0.99 H new ATOM 0 HG LEU A 71 -7.941 5.892 -0.434 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -6.855 6.188 -2.623 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -7.919 7.558 -2.223 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -6.154 7.726 -2.063 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -5.705 4.938 -0.835 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -4.962 6.426 -0.202 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.934 5.390 0.871 1.00 1.91 H new ATOM 1010 N GLU A 72 -10.161 7.083 -0.938 1.00 0.99 N ATOM 1011 CA GLU A 72 -11.264 6.142 -1.079 1.00 1.05 C ATOM 1012 C GLU A 72 -10.761 4.705 -0.999 1.00 1.11 C ATOM 1013 O GLU A 72 -9.647 4.402 -1.427 1.00 1.19 O ATOM 1014 CB GLU A 72 -11.990 6.371 -2.409 1.00 1.13 C ATOM 1015 CG GLU A 72 -11.327 5.697 -3.600 1.00 1.52 C ATOM 1016 CD GLU A 72 -11.989 6.054 -4.916 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -11.608 7.084 -5.513 1.00 2.11 O ATOM 1018 OE2 GLU A 72 -12.889 5.305 -5.350 1.00 1.82 O ATOM 0 H GLU A 72 -9.737 7.373 -1.819 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.963 6.310 -0.260 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -13.013 6.005 -2.320 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -12.050 7.443 -2.598 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -10.276 5.984 -3.637 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -11.357 4.616 -3.464 1.00 1.52 H new ATOM 1025 N THR A 73 -11.586 3.825 -0.446 1.00 1.12 N ATOM 1026 CA THR A 73 -11.225 2.421 -0.318 1.00 1.22 C ATOM 1027 C THR A 73 -11.715 1.635 -1.532 1.00 1.35 C ATOM 1028 O THR A 73 -12.358 2.194 -2.420 1.00 1.38 O ATOM 1029 CB THR A 73 -11.810 1.804 0.965 1.00 1.24 C ATOM 1030 OG1 THR A 73 -11.393 0.440 1.091 1.00 1.76 O ATOM 1031 CG2 THR A 73 -13.327 1.875 0.956 1.00 1.63 C ATOM 0 H THR A 73 -12.509 4.059 -0.080 1.00 1.12 H new ATOM 0 HA THR A 73 -10.138 2.365 -0.261 1.00 1.22 H new ATOM 0 HB THR A 73 -11.439 2.376 1.816 1.00 1.24 H new ATOM 0 HG1 THR A 73 -11.769 0.057 1.911 1.00 1.76 H new ATOM 0 HG21 THR A 73 -13.717 1.433 1.873 1.00 1.63 H new ATOM 0 HG22 THR A 73 -13.642 2.917 0.893 1.00 1.63 H new ATOM 0 HG23 THR A 73 -13.712 1.327 0.096 1.00 1.63 H new ATOM 1036 N MET A 74 -11.409 0.343 -1.571 1.00 1.45 N ATOM 1037 CA MET A 74 -11.823 -0.501 -2.687 1.00 1.60 C ATOM 1038 C MET A 74 -13.343 -0.651 -2.727 1.00 1.65 C ATOM 1039 O MET A 74 -13.906 -1.076 -3.736 1.00 1.81 O ATOM 1040 CB MET A 74 -11.158 -1.876 -2.592 1.00 1.70 C ATOM 1041 CG MET A 74 -11.363 -2.738 -3.827 1.00 2.32 C ATOM 1042 SD MET A 74 -10.378 -4.248 -3.795 1.00 3.10 S ATOM 1043 CE MET A 74 -11.034 -5.051 -2.336 1.00 3.79 C ATOM 0 H MET A 74 -10.878 -0.141 -0.847 1.00 1.45 H new ATOM 0 HA MET A 74 -11.504 -0.018 -3.611 1.00 1.60 H new ATOM 0 HB2 MET A 74 -10.089 -1.743 -2.426 1.00 1.70 H new ATOM 0 HB3 MET A 74 -11.553 -2.402 -1.723 1.00 1.70 H new ATOM 0 HG2 MET A 74 -12.418 -2.999 -3.911 1.00 2.32 H new ATOM 0 HG3 MET A 74 -11.106 -2.160 -4.715 1.00 2.32 H new ATOM 0 HE1 MET A 74 -10.290 -5.023 -1.540 1.00 3.79 H new ATOM 0 HE2 MET A 74 -11.935 -4.532 -2.009 1.00 3.79 H new ATOM 0 HE3 MET A 74 -11.277 -6.088 -2.569 1.00 3.79 H new ATOM 1053 N THR A 75 -14.003 -0.296 -1.627 1.00 1.57 N ATOM 1054 CA THR A 75 -15.457 -0.393 -1.548 1.00 1.67 C ATOM 1055 C THR A 75 -16.119 0.925 -1.938 1.00 1.56 C ATOM 1056 O THR A 75 -17.340 0.997 -2.081 1.00 1.74 O ATOM 1057 CB THR A 75 -15.929 -0.791 -0.136 1.00 1.89 C ATOM 1058 OG1 THR A 75 -15.795 0.319 0.758 1.00 2.23 O ATOM 1059 CG2 THR A 75 -15.125 -1.969 0.392 1.00 2.00 C ATOM 0 H THR A 75 -13.556 0.060 -0.782 1.00 1.57 H new ATOM 0 HA THR A 75 -15.754 -1.172 -2.251 1.00 1.67 H new ATOM 0 HB THR A 75 -16.977 -1.083 -0.199 1.00 1.89 H new ATOM 0 HG1 THR A 75 -16.099 0.057 1.652 1.00 2.23 H new ATOM 0 HG21 THR A 75 -15.477 -2.231 1.390 1.00 2.00 H new ATOM 0 HG22 THR A 75 -15.251 -2.823 -0.273 1.00 2.00 H new ATOM 0 HG23 THR A 75 -14.070 -1.698 0.439 1.00 2.00 H new ATOM 1064 N GLY A 76 -15.309 1.967 -2.106 1.00 1.40 N ATOM 1065 CA GLY A 76 -15.839 3.264 -2.485 1.00 1.47 C ATOM 1066 C GLY A 76 -16.048 4.187 -1.297 1.00 1.35 C ATOM 1067 O GLY A 76 -16.404 5.353 -1.468 1.00 1.39 O ATOM 0 H GLY A 76 -14.297 1.936 -1.986 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -15.157 3.738 -3.191 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -16.788 3.126 -3.003 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.828 3.669 -0.094 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.997 4.462 1.119 1.00 1.22 C ATOM 1073 C GLU A 77 -14.862 5.468 1.280 1.00 1.12 C ATOM 1074 O GLU A 77 -13.703 5.162 1.006 1.00 1.11 O ATOM 1075 CB GLU A 77 -16.070 3.557 2.342 1.00 1.28 C ATOM 1076 CG GLU A 77 -16.202 4.312 3.654 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.368 3.390 4.845 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -17.516 2.986 5.128 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -15.351 3.071 5.496 1.00 1.94 O ATOM 0 H GLU A 77 -15.533 2.706 0.068 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.933 5.013 1.030 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.920 2.883 2.234 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -15.174 2.937 2.378 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.319 4.934 3.801 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -17.059 4.984 3.597 1.00 1.30 H new ATOM 1086 N LYS A 78 -15.206 6.671 1.730 1.00 1.12 N ATOM 1087 CA LYS A 78 -14.218 7.723 1.927 1.00 1.06 C ATOM 1088 C LYS A 78 -13.672 7.694 3.352 1.00 0.97 C ATOM 1089 O LYS A 78 -14.421 7.853 4.316 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.840 9.092 1.635 1.00 1.19 C ATOM 1091 CG LYS A 78 -15.556 9.165 0.295 1.00 1.29 C ATOM 1092 CD LYS A 78 -14.605 8.922 -0.865 1.00 1.78 C ATOM 1093 CE LYS A 78 -15.319 9.035 -2.201 1.00 2.39 C ATOM 1094 NZ LYS A 78 -15.966 10.366 -2.374 1.00 2.94 N ATOM 0 H LYS A 78 -16.161 6.940 1.965 1.00 1.12 H new ATOM 0 HA LYS A 78 -13.393 7.550 1.237 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.546 9.337 2.428 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -14.057 9.850 1.660 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -16.357 8.426 0.270 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -16.022 10.144 0.184 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.789 9.643 -0.825 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.160 7.931 -0.771 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -14.606 8.870 -3.009 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -16.073 8.252 -2.277 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -16.203 10.509 -3.376 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -16.834 10.407 -1.803 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -15.312 11.113 -2.063 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.364 7.487 3.479 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.722 7.440 4.789 1.00 0.86 C ATOM 1110 C VAL A 79 -10.602 8.472 4.889 1.00 0.81 C ATOM 1111 O VAL A 79 -9.945 8.785 3.898 1.00 0.84 O ATOM 1112 CB VAL A 79 -11.151 6.039 5.086 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -12.266 5.007 5.136 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -10.106 5.653 4.051 1.00 1.05 C ATOM 0 H VAL A 79 -11.729 7.349 2.692 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.489 7.671 5.528 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.667 6.067 6.062 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.843 4.025 5.347 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -12.974 5.274 5.921 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.782 4.982 4.176 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.716 4.661 4.280 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.561 5.645 3.060 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -9.291 6.376 4.070 1.00 1.05 H new ATOM 1118 N LYS A 80 -10.390 8.998 6.094 1.00 0.79 N ATOM 1119 CA LYS A 80 -9.350 9.996 6.322 1.00 0.76 C ATOM 1120 C LYS A 80 -8.072 9.340 6.836 1.00 0.68 C ATOM 1121 O LYS A 80 -8.111 8.498 7.735 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.835 11.053 7.318 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.170 10.490 8.688 1.00 1.48 C ATOM 1124 CD LYS A 80 -10.735 11.560 9.607 1.00 1.82 C ATOM 1125 CE LYS A 80 -10.965 11.024 11.009 1.00 2.54 C ATOM 1126 NZ LYS A 80 -11.872 9.843 11.010 1.00 3.13 N ATOM 0 H LYS A 80 -10.925 8.749 6.926 1.00 0.79 H new ATOM 0 HA LYS A 80 -9.130 10.481 5.371 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.066 11.817 7.427 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -10.718 11.545 6.911 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.892 9.681 8.583 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -9.273 10.061 9.135 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -10.049 12.406 9.648 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -11.675 11.932 9.200 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -10.009 10.748 11.453 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -11.391 11.810 11.633 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -12.139 9.611 11.988 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -12.727 10.062 10.460 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -11.384 9.030 10.583 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.939 9.723 6.255 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.652 9.166 6.653 1.00 0.62 C ATOM 1142 C ALA A 81 -4.533 10.196 6.528 1.00 0.58 C ATOM 1143 O ALA A 81 -4.518 10.999 5.597 1.00 0.60 O ATOM 1144 CB ALA A 81 -5.335 7.938 5.816 1.00 0.69 C ATOM 0 H ALA A 81 -6.887 10.416 5.508 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.720 8.878 7.702 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.372 7.529 6.121 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -6.111 7.187 5.963 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -5.294 8.216 4.763 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.599 10.163 7.473 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.469 11.083 7.467 1.00 0.56 C ATOM 1152 C VAL A 82 -1.155 10.333 7.254 1.00 0.50 C ATOM 1153 O VAL A 82 -0.779 9.471 8.050 1.00 0.48 O ATOM 1154 CB VAL A 82 -2.394 11.897 8.778 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -2.394 10.975 9.989 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -1.167 12.797 8.785 1.00 1.34 C ATOM 0 H VAL A 82 -3.603 9.507 8.254 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.624 11.774 6.639 1.00 0.56 H new ATOM 0 HB VAL A 82 -3.280 12.530 8.834 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -2.341 11.571 10.900 1.00 1.40 H new ATOM 0 HG12 VAL A 82 -3.309 10.383 9.996 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.532 10.310 9.940 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -1.135 13.361 9.717 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -0.268 12.187 8.698 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -1.218 13.489 7.944 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.466 10.662 6.165 1.00 0.50 N ATOM 1161 CA VAL A 83 0.802 10.024 5.840 1.00 0.47 C ATOM 1162 C VAL A 83 1.967 10.990 6.033 1.00 0.45 C ATOM 1163 O VAL A 83 2.003 12.066 5.435 1.00 0.53 O ATOM 1164 CB VAL A 83 0.804 9.491 4.392 1.00 0.55 C ATOM 1165 CG1 VAL A 83 0.405 10.588 3.417 1.00 1.26 C ATOM 1166 CG2 VAL A 83 2.165 8.913 4.030 1.00 1.11 C ATOM 0 H VAL A 83 -0.767 11.368 5.493 1.00 0.50 H new ATOM 0 HA VAL A 83 0.925 9.183 6.522 1.00 0.47 H new ATOM 0 HB VAL A 83 0.069 8.690 4.322 1.00 0.55 H new ATOM 0 HG11 VAL A 83 0.412 10.192 2.401 1.00 1.26 H new ATOM 0 HG12 VAL A 83 -0.596 10.945 3.660 1.00 1.26 H new ATOM 0 HG13 VAL A 83 1.112 11.414 3.490 1.00 1.26 H new ATOM 0 HG21 VAL A 83 2.142 8.543 3.005 1.00 1.11 H new ATOM 0 HG22 VAL A 83 2.925 9.689 4.119 1.00 1.11 H new ATOM 0 HG23 VAL A 83 2.403 8.092 4.706 1.00 1.11 H new ATOM 1170 N LYS A 84 2.916 10.601 6.877 1.00 0.41 N ATOM 1171 CA LYS A 84 4.082 11.433 7.154 1.00 0.43 C ATOM 1172 C LYS A 84 5.363 10.609 7.088 1.00 0.42 C ATOM 1173 O LYS A 84 5.353 9.407 7.350 1.00 0.44 O ATOM 1174 CB LYS A 84 3.961 12.078 8.536 1.00 0.48 C ATOM 1175 CG LYS A 84 2.592 12.684 8.812 1.00 0.78 C ATOM 1176 CD LYS A 84 2.581 13.480 10.110 1.00 0.91 C ATOM 1177 CE LYS A 84 2.736 12.578 11.325 1.00 1.51 C ATOM 1178 NZ LYS A 84 2.848 13.361 12.587 1.00 2.11 N ATOM 0 H LYS A 84 2.901 9.715 7.382 1.00 0.41 H new ATOM 0 HA LYS A 84 4.125 12.214 6.395 1.00 0.43 H new ATOM 0 HB2 LYS A 84 4.176 11.328 9.297 1.00 0.48 H new ATOM 0 HB3 LYS A 84 4.719 12.856 8.632 1.00 0.48 H new ATOM 0 HG2 LYS A 84 2.308 13.334 7.984 1.00 0.78 H new ATOM 0 HG3 LYS A 84 1.847 11.891 8.865 1.00 0.78 H new ATOM 0 HD2 LYS A 84 3.389 14.212 10.095 1.00 0.91 H new ATOM 0 HD3 LYS A 84 1.647 14.037 10.187 1.00 0.91 H new ATOM 0 HE2 LYS A 84 1.880 11.906 11.390 1.00 1.51 H new ATOM 0 HE3 LYS A 84 3.622 11.955 11.204 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 2.952 12.710 13.391 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 3.679 13.984 12.536 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 1.991 13.936 12.716 1.00 2.11 H new ATOM 1192 N MET A 85 6.465 11.262 6.735 1.00 0.48 N ATOM 1193 CA MET A 85 7.754 10.589 6.648 1.00 0.52 C ATOM 1194 C MET A 85 8.566 10.828 7.916 1.00 0.57 C ATOM 1195 O MET A 85 8.506 11.907 8.506 1.00 0.67 O ATOM 1196 CB MET A 85 8.532 11.079 5.424 1.00 0.68 C ATOM 1197 CG MET A 85 8.848 12.566 5.457 1.00 1.26 C ATOM 1198 SD MET A 85 9.699 13.133 3.971 1.00 1.83 S ATOM 1199 CE MET A 85 11.194 12.148 4.033 1.00 2.62 C ATOM 0 H MET A 85 6.491 12.255 6.505 1.00 0.48 H new ATOM 0 HA MET A 85 7.576 9.519 6.543 1.00 0.52 H new ATOM 0 HB2 MET A 85 9.465 10.520 5.349 1.00 0.68 H new ATOM 0 HB3 MET A 85 7.955 10.859 4.526 1.00 0.68 H new ATOM 0 HG2 MET A 85 7.921 13.127 5.576 1.00 1.26 H new ATOM 0 HG3 MET A 85 9.466 12.782 6.329 1.00 1.26 H new ATOM 0 HE1 MET A 85 11.951 12.594 3.388 1.00 2.62 H new ATOM 0 HE2 MET A 85 11.565 12.114 5.057 1.00 2.62 H new ATOM 0 HE3 MET A 85 10.977 11.136 3.692 1.00 2.62 H new ATOM 1209 N GLU A 86 9.323 9.818 8.332 1.00 0.60 N ATOM 1210 CA GLU A 86 10.138 9.927 9.536 1.00 0.73 C ATOM 1211 C GLU A 86 11.583 10.262 9.184 1.00 0.84 C ATOM 1212 O GLU A 86 12.379 10.619 10.053 1.00 1.00 O ATOM 1213 CB GLU A 86 10.076 8.626 10.341 1.00 0.77 C ATOM 1214 CG GLU A 86 10.723 8.727 11.713 1.00 1.07 C ATOM 1215 CD GLU A 86 10.100 9.810 12.572 1.00 1.44 C ATOM 1216 OE1 GLU A 86 9.049 9.545 13.193 1.00 1.48 O ATOM 1217 OE2 GLU A 86 10.665 10.923 12.627 1.00 2.06 O ATOM 0 H GLU A 86 9.389 8.919 7.855 1.00 0.60 H new ATOM 0 HA GLU A 86 9.738 10.737 10.146 1.00 0.73 H new ATOM 0 HB2 GLU A 86 9.033 8.332 10.461 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.567 7.834 9.775 1.00 0.77 H new ATOM 0 HG2 GLU A 86 10.636 7.768 12.224 1.00 1.07 H new ATOM 0 HG3 GLU A 86 11.788 8.929 11.595 1.00 1.07 H new ATOM 1224 N GLY A 87 11.913 10.148 7.903 1.00 0.80 N ATOM 1225 CA GLY A 87 13.260 10.446 7.454 1.00 0.95 C ATOM 1226 C GLY A 87 13.804 9.415 6.489 1.00 0.81 C ATOM 1227 O GLY A 87 13.236 9.193 5.419 1.00 1.62 O ATOM 0 H GLY A 87 11.271 9.854 7.167 1.00 0.80 H new ATOM 0 HA2 GLY A 87 13.269 11.425 6.974 1.00 0.95 H new ATOM 0 HA3 GLY A 87 13.920 10.509 8.319 1.00 0.95 H new ATOM 1231 N ASP A 88 14.910 8.785 6.868 1.00 0.89 N ATOM 1232 CA ASP A 88 15.543 7.782 6.033 1.00 1.05 C ATOM 1233 C ASP A 88 15.025 6.393 6.364 1.00 0.98 C ATOM 1234 O ASP A 88 14.979 5.993 7.526 1.00 1.56 O ATOM 1235 CB ASP A 88 17.062 7.829 6.211 1.00 1.46 C ATOM 1236 CG ASP A 88 17.782 6.846 5.308 1.00 2.14 C ATOM 1237 OD1 ASP A 88 18.111 7.221 4.164 1.00 2.84 O ATOM 1238 OD2 ASP A 88 18.016 5.699 5.746 1.00 2.57 O ATOM 0 H ASP A 88 15.386 8.955 7.754 1.00 0.89 H new ATOM 0 HA ASP A 88 15.297 8.002 4.994 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.418 8.838 6.002 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.310 7.612 7.250 1.00 1.46 H new ATOM 1243 N ASN A 89 14.617 5.681 5.323 1.00 0.54 N ATOM 1244 CA ASN A 89 14.103 4.318 5.442 1.00 0.51 C ATOM 1245 C ASN A 89 13.000 4.190 6.486 1.00 0.46 C ATOM 1246 O ASN A 89 12.615 3.080 6.837 1.00 0.55 O ATOM 1247 CB ASN A 89 15.239 3.334 5.748 1.00 0.61 C ATOM 1248 CG ASN A 89 15.718 3.397 7.184 1.00 1.42 C ATOM 1249 OD1 ASN A 89 15.064 2.643 8.058 1.00 2.19 O flip ATOM 1250 ND2 ASN A 89 16.668 4.112 7.504 1.00 2.22 N flip ATOM 0 H ASN A 89 14.632 6.032 4.365 1.00 0.54 H new ATOM 0 HA ASN A 89 13.660 4.069 4.478 1.00 0.51 H new ATOM 0 HB2 ASN A 89 14.901 2.321 5.529 1.00 0.61 H new ATOM 0 HB3 ASN A 89 16.078 3.541 5.083 1.00 0.61 H new ATOM 0 HD21 ASN A 89 17.142 4.676 6.799 1.00 2.22 H new ATOM 0 HD22 ASN A 89 16.981 4.140 8.474 1.00 2.22 H new ATOM 1255 N LYS A 90 12.467 5.312 6.957 1.00 0.46 N ATOM 1256 CA LYS A 90 11.414 5.273 7.967 1.00 0.49 C ATOM 1257 C LYS A 90 10.306 6.279 7.679 1.00 0.46 C ATOM 1258 O LYS A 90 10.557 7.471 7.506 1.00 0.53 O ATOM 1259 CB LYS A 90 12.010 5.527 9.350 1.00 0.70 C ATOM 1260 CG LYS A 90 12.759 4.332 9.906 1.00 0.64 C ATOM 1261 CD LYS A 90 13.907 4.752 10.805 1.00 1.25 C ATOM 1262 CE LYS A 90 14.697 3.545 11.283 1.00 1.43 C ATOM 1263 NZ LYS A 90 15.954 3.939 11.977 1.00 2.05 N ATOM 0 H LYS A 90 12.742 6.249 6.661 1.00 0.46 H new ATOM 0 HA LYS A 90 10.966 4.280 7.938 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.688 6.379 9.296 1.00 0.70 H new ATOM 0 HB3 LYS A 90 11.210 5.799 10.039 1.00 0.70 H new ATOM 0 HG2 LYS A 90 12.070 3.701 10.468 1.00 0.64 H new ATOM 0 HG3 LYS A 90 13.144 3.730 9.083 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.566 5.431 10.265 1.00 1.25 H new ATOM 0 HD3 LYS A 90 13.519 5.300 11.664 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.080 2.953 11.959 1.00 1.43 H new ATOM 0 HE3 LYS A 90 14.937 2.909 10.431 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 16.462 3.086 12.286 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 16.555 4.482 11.325 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 15.724 4.525 12.805 1.00 2.05 H new ATOM 1277 N MET A 91 9.074 5.776 7.624 1.00 0.42 N ATOM 1278 CA MET A 91 7.902 6.607 7.376 1.00 0.45 C ATOM 1279 C MET A 91 6.735 6.131 8.232 1.00 0.42 C ATOM 1280 O MET A 91 6.457 4.933 8.302 1.00 0.46 O ATOM 1281 CB MET A 91 7.518 6.571 5.896 1.00 0.49 C ATOM 1282 CG MET A 91 8.527 7.249 4.985 1.00 1.03 C ATOM 1283 SD MET A 91 7.975 7.319 3.270 1.00 1.51 S ATOM 1284 CE MET A 91 9.329 8.213 2.513 1.00 1.96 C ATOM 0 H MET A 91 8.863 4.786 7.750 1.00 0.42 H new ATOM 0 HA MET A 91 8.144 7.636 7.644 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.402 5.533 5.585 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.548 7.052 5.770 1.00 0.49 H new ATOM 0 HG2 MET A 91 8.713 8.261 5.345 1.00 1.03 H new ATOM 0 HG3 MET A 91 9.475 6.713 5.036 1.00 1.03 H new ATOM 0 HE1 MET A 91 9.133 8.336 1.448 1.00 1.96 H new ATOM 0 HE2 MET A 91 9.424 9.193 2.980 1.00 1.96 H new ATOM 0 HE3 MET A 91 10.255 7.655 2.650 1.00 1.96 H new ATOM 1294 N VAL A 92 6.049 7.067 8.882 1.00 0.40 N ATOM 1295 CA VAL A 92 4.923 6.717 9.739 1.00 0.39 C ATOM 1296 C VAL A 92 3.599 7.212 9.164 1.00 0.38 C ATOM 1297 O VAL A 92 3.391 8.414 8.995 1.00 0.42 O ATOM 1298 CB VAL A 92 5.100 7.300 11.154 1.00 0.45 C ATOM 1299 CG1 VAL A 92 4.012 6.792 12.088 1.00 1.46 C ATOM 1300 CG2 VAL A 92 6.480 6.965 11.701 1.00 1.45 C ATOM 0 H VAL A 92 6.252 8.065 8.832 1.00 0.40 H new ATOM 0 HA VAL A 92 4.900 5.629 9.792 1.00 0.39 H new ATOM 0 HB VAL A 92 5.011 8.384 11.090 1.00 0.45 H new ATOM 0 HG11 VAL A 92 4.157 7.217 13.081 1.00 1.46 H new ATOM 0 HG12 VAL A 92 3.036 7.090 11.705 1.00 1.46 H new ATOM 0 HG13 VAL A 92 4.062 5.705 12.148 1.00 1.46 H new ATOM 0 HG21 VAL A 92 6.587 7.385 12.701 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.600 5.883 11.747 1.00 1.45 H new ATOM 0 HG23 VAL A 92 7.243 7.387 11.047 1.00 1.45 H new ATOM 1304 N THR A 93 2.709 6.269 8.867 1.00 0.37 N ATOM 1305 CA THR A 93 1.392 6.588 8.328 1.00 0.40 C ATOM 1306 C THR A 93 0.314 5.785 9.050 1.00 0.41 C ATOM 1307 O THR A 93 0.366 4.554 9.085 1.00 0.44 O ATOM 1308 CB THR A 93 1.315 6.312 6.812 1.00 0.44 C ATOM 1309 OG1 THR A 93 -0.017 6.546 6.339 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.727 4.883 6.493 1.00 0.47 C ATOM 0 H THR A 93 2.879 5.271 8.992 1.00 0.37 H new ATOM 0 HA THR A 93 1.223 7.653 8.489 1.00 0.40 H new ATOM 0 HB THR A 93 2.006 6.989 6.310 1.00 0.44 H new ATOM 0 HG1 THR A 93 -0.058 6.370 5.376 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.663 4.717 5.418 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.752 4.717 6.825 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.062 4.189 7.007 1.00 0.47 H new ATOM 1315 N THR A 94 -0.657 6.480 9.633 1.00 0.42 N ATOM 1316 CA THR A 94 -1.732 5.814 10.360 1.00 0.46 C ATOM 1317 C THR A 94 -3.102 6.252 9.857 1.00 0.51 C ATOM 1318 O THR A 94 -3.320 7.427 9.560 1.00 0.57 O ATOM 1319 CB THR A 94 -1.640 6.092 11.871 1.00 0.52 C ATOM 1320 OG1 THR A 94 -0.294 5.900 12.323 1.00 1.23 O ATOM 1321 CG2 THR A 94 -2.574 5.175 12.648 1.00 1.12 C ATOM 0 H THR A 94 -0.722 7.498 9.617 1.00 0.42 H new ATOM 0 HA THR A 94 -1.614 4.745 10.183 1.00 0.46 H new ATOM 0 HB THR A 94 -1.940 7.125 12.047 1.00 0.52 H new ATOM 0 HG1 THR A 94 -0.243 6.080 13.285 1.00 1.23 H new ATOM 0 HG21 THR A 94 -2.492 5.390 13.713 1.00 1.12 H new ATOM 0 HG22 THR A 94 -3.601 5.341 12.323 1.00 1.12 H new ATOM 0 HG23 THR A 94 -2.299 4.136 12.465 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.023 5.297 9.764 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.376 5.583 9.305 1.00 0.61 C ATOM 1328 C PHE A 95 -6.408 4.828 10.140 1.00 0.67 C ATOM 1329 O PHE A 95 -6.284 3.623 10.354 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.527 5.223 7.824 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.402 3.753 7.533 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -4.155 3.156 7.454 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.530 2.970 7.343 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -4.033 1.806 7.188 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -6.414 1.618 7.078 1.00 0.94 C ATOM 1336 CZ PHE A 95 -5.180 1.036 6.992 1.00 0.96 C ATOM 0 H PHE A 95 -3.856 4.319 10.001 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.554 6.651 9.426 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.499 5.570 7.474 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.771 5.761 7.252 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -3.267 3.753 7.602 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.510 3.421 7.403 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -3.056 1.349 7.132 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -7.302 1.019 6.938 1.00 0.94 H new ATOM 0 HZ PHE A 95 -5.093 -0.018 6.773 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.421 5.552 10.614 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.485 4.961 11.423 1.00 0.83 C ATOM 1348 C LYS A 96 -7.934 4.337 12.705 1.00 0.85 C ATOM 1349 O LYS A 96 -7.917 4.975 13.758 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.249 3.913 10.611 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.819 4.452 9.308 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.441 3.350 8.465 1.00 1.53 C ATOM 1353 CE LYS A 96 -11.704 2.796 9.104 1.00 1.76 C ATOM 1354 NZ LYS A 96 -12.746 3.847 9.276 1.00 2.52 N ATOM 0 H LYS A 96 -7.527 6.553 10.450 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.169 5.760 11.708 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.582 3.080 10.389 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -10.063 3.517 11.218 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.571 5.211 9.526 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -9.028 4.941 8.740 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.675 3.739 7.474 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -9.719 2.545 8.329 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -12.100 1.990 8.486 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -11.460 2.364 10.075 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.672 3.397 9.421 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -12.514 4.434 10.102 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -12.780 4.444 8.425 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.486 3.087 12.609 1.00 0.78 N ATOM 1369 CA GLY A 97 -6.946 2.401 13.771 1.00 0.80 C ATOM 1370 C GLY A 97 -5.904 1.364 13.402 1.00 0.70 C ATOM 1371 O GLY A 97 -5.559 0.504 14.214 1.00 0.83 O ATOM 0 H GLY A 97 -7.487 2.538 11.749 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.502 3.132 14.447 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -7.759 1.918 14.313 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.403 1.442 12.174 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.392 0.507 11.695 1.00 0.50 C ATOM 1377 C ILE A 98 -3.017 1.164 11.661 1.00 0.45 C ATOM 1378 O ILE A 98 -2.880 2.317 11.252 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.735 -0.022 10.288 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.146 -0.622 10.269 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.707 -1.053 9.840 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -6.339 -1.770 11.239 1.00 1.45 C ATOM 0 H ILE A 98 -5.682 2.146 11.490 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.376 -0.331 12.392 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.709 0.814 9.589 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.867 0.162 10.502 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.368 -0.970 9.260 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.965 -1.415 8.845 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.719 -0.594 9.814 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.701 -1.888 10.540 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -7.362 -2.140 11.166 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -5.644 -2.573 10.995 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -6.150 -1.423 12.255 1.00 1.45 H new ATOM 1386 N LYS A 99 -1.999 0.425 12.092 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.636 0.942 12.113 1.00 0.39 C ATOM 1388 C LYS A 99 0.119 0.501 10.866 1.00 0.37 C ATOM 1389 O LYS A 99 0.309 -0.694 10.633 1.00 0.40 O ATOM 1390 CB LYS A 99 0.091 0.452 13.368 1.00 0.42 C ATOM 1391 CG LYS A 99 1.028 1.484 13.976 1.00 0.95 C ATOM 1392 CD LYS A 99 2.401 1.454 13.324 1.00 1.46 C ATOM 1393 CE LYS A 99 3.158 0.182 13.677 1.00 2.05 C ATOM 1394 NZ LYS A 99 3.226 -0.035 15.149 1.00 2.71 N ATOM 0 H LYS A 99 -2.093 -0.532 12.431 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.676 2.031 12.128 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.648 0.161 14.115 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.662 -0.442 13.120 1.00 0.42 H new ATOM 0 HG2 LYS A 99 0.595 2.478 13.865 1.00 0.95 H new ATOM 0 HG3 LYS A 99 1.129 1.298 15.045 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.293 1.526 12.242 1.00 1.46 H new ATOM 0 HD3 LYS A 99 2.977 2.322 13.645 1.00 1.46 H new ATOM 0 HE2 LYS A 99 2.671 -0.672 13.206 1.00 2.05 H new ATOM 0 HE3 LYS A 99 4.168 0.237 13.271 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 3.995 -0.701 15.367 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 3.408 0.871 15.625 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 2.323 -0.427 15.484 1.00 2.71 H new ATOM 1408 N SER A 100 0.548 1.470 10.066 1.00 0.36 N ATOM 1409 CA SER A 100 1.276 1.177 8.839 1.00 0.36 C ATOM 1410 C SER A 100 2.647 1.847 8.835 1.00 0.34 C ATOM 1411 O SER A 100 2.751 3.070 8.932 1.00 0.34 O ATOM 1412 CB SER A 100 0.466 1.632 7.625 1.00 0.40 C ATOM 1413 OG SER A 100 -0.780 0.958 7.562 1.00 1.23 O ATOM 0 H SER A 100 0.404 2.464 10.245 1.00 0.36 H new ATOM 0 HA SER A 100 1.427 0.099 8.786 1.00 0.36 H new ATOM 0 HB2 SER A 100 0.299 2.708 7.678 1.00 0.40 H new ATOM 0 HB3 SER A 100 1.033 1.442 6.714 1.00 0.40 H new ATOM 0 HG SER A 100 -1.135 1.011 6.650 1.00 1.23 H new ATOM 1419 N VAL A 101 3.696 1.037 8.718 1.00 0.34 N ATOM 1420 CA VAL A 101 5.060 1.551 8.689 1.00 0.33 C ATOM 1421 C VAL A 101 5.781 1.089 7.430 1.00 0.33 C ATOM 1422 O VAL A 101 5.910 -0.109 7.178 1.00 0.36 O ATOM 1423 CB VAL A 101 5.859 1.101 9.928 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.301 1.581 9.844 1.00 0.49 C ATOM 1425 CG2 VAL A 101 5.197 1.608 11.198 1.00 0.59 C ATOM 0 H VAL A 101 3.626 0.022 8.642 1.00 0.34 H new ATOM 0 HA VAL A 101 4.995 2.639 8.693 1.00 0.33 H new ATOM 0 HB VAL A 101 5.867 0.011 9.955 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.846 1.252 10.729 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.771 1.166 8.953 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.320 2.670 9.790 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.773 1.282 12.064 1.00 0.59 H new ATOM 0 HG22 VAL A 101 5.157 2.697 11.178 1.00 0.59 H new ATOM 0 HG23 VAL A 101 4.185 1.209 11.265 1.00 0.59 H new ATOM 1429 N THR A 102 6.253 2.049 6.645 1.00 0.35 N ATOM 1430 CA THR A 102 6.957 1.752 5.406 1.00 0.40 C ATOM 1431 C THR A 102 8.414 2.196 5.468 1.00 0.37 C ATOM 1432 O THR A 102 8.708 3.342 5.808 1.00 0.39 O ATOM 1433 CB THR A 102 6.275 2.439 4.207 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.906 2.029 4.120 1.00 0.55 O ATOM 1435 CG2 THR A 102 6.991 2.106 2.907 1.00 0.59 C ATOM 0 H THR A 102 6.160 3.045 6.847 1.00 0.35 H new ATOM 0 HA THR A 102 6.923 0.670 5.275 1.00 0.40 H new ATOM 0 HB THR A 102 6.324 3.517 4.363 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.455 2.542 3.417 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.489 2.604 2.077 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.025 2.447 2.963 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.973 1.028 2.748 1.00 0.59 H new ATOM 1440 N GLU A 103 9.325 1.284 5.140 1.00 0.37 N ATOM 1441 CA GLU A 103 10.741 1.593 5.135 1.00 0.38 C ATOM 1442 C GLU A 103 11.187 1.951 3.724 1.00 0.41 C ATOM 1443 O GLU A 103 11.014 1.165 2.790 1.00 0.47 O ATOM 1444 CB GLU A 103 11.542 0.407 5.665 1.00 0.43 C ATOM 1445 CG GLU A 103 11.455 0.247 7.174 1.00 1.12 C ATOM 1446 CD GLU A 103 12.327 -0.880 7.693 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.504 -0.619 8.017 1.00 2.08 O ATOM 1448 OE2 GLU A 103 11.831 -2.023 7.775 1.00 2.10 O ATOM 0 H GLU A 103 9.101 0.325 4.875 1.00 0.37 H new ATOM 0 HA GLU A 103 10.921 2.448 5.787 1.00 0.38 H new ATOM 0 HB2 GLU A 103 11.184 -0.506 5.189 1.00 0.43 H new ATOM 0 HB3 GLU A 103 12.587 0.527 5.379 1.00 0.43 H new ATOM 0 HG2 GLU A 103 11.752 1.180 7.652 1.00 1.12 H new ATOM 0 HG3 GLU A 103 10.419 0.059 7.456 1.00 1.12 H new ATOM 1455 N PHE A 104 11.764 3.138 3.573 1.00 0.43 N ATOM 1456 CA PHE A 104 12.197 3.605 2.252 1.00 0.49 C ATOM 1457 C PHE A 104 13.703 3.459 2.039 1.00 0.52 C ATOM 1458 O PHE A 104 14.512 4.107 2.706 1.00 0.62 O ATOM 1459 CB PHE A 104 11.793 5.065 2.055 1.00 0.64 C ATOM 1460 CG PHE A 104 11.025 5.306 0.787 1.00 0.56 C ATOM 1461 CD1 PHE A 104 9.646 5.170 0.763 1.00 0.61 C ATOM 1462 CD2 PHE A 104 11.681 5.665 -0.379 1.00 0.69 C ATOM 1463 CE1 PHE A 104 8.937 5.388 -0.402 1.00 0.79 C ATOM 1464 CE2 PHE A 104 10.976 5.884 -1.547 1.00 0.78 C ATOM 1465 CZ PHE A 104 9.602 5.745 -1.559 1.00 0.83 C ATOM 0 H PHE A 104 11.943 3.791 4.336 1.00 0.43 H new ATOM 0 HA PHE A 104 11.701 2.974 1.515 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.188 5.384 2.904 1.00 0.64 H new ATOM 0 HB3 PHE A 104 12.690 5.685 2.051 1.00 0.64 H new ATOM 0 HD1 PHE A 104 9.121 4.891 1.664 1.00 0.61 H new ATOM 0 HD2 PHE A 104 12.755 5.775 -0.375 1.00 0.69 H new ATOM 0 HE1 PHE A 104 7.862 5.279 -0.408 1.00 0.79 H new ATOM 0 HE2 PHE A 104 11.499 6.164 -2.450 1.00 0.78 H new ATOM 0 HZ PHE A 104 9.049 5.915 -2.471 1.00 0.83 H new ATOM 1475 N ASN A 105 14.066 2.641 1.055 1.00 0.53 N ATOM 1476 CA ASN A 105 15.465 2.404 0.721 1.00 0.62 C ATOM 1477 C ASN A 105 15.720 2.713 -0.748 1.00 0.67 C ATOM 1478 O ASN A 105 14.812 2.626 -1.575 1.00 0.81 O ATOM 1479 CB ASN A 105 15.853 0.955 1.023 1.00 0.69 C ATOM 1480 CG ASN A 105 15.581 0.567 2.462 1.00 1.24 C ATOM 1481 OD1 ASN A 105 15.706 1.527 3.371 1.00 1.72 O flip ATOM 1482 ND2 ASN A 105 15.263 -0.586 2.756 1.00 1.53 N flip ATOM 0 H ASN A 105 13.404 2.128 0.472 1.00 0.53 H new ATOM 0 HA ASN A 105 16.078 3.065 1.333 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.300 0.289 0.360 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.912 0.814 0.806 1.00 0.69 H new ATOM 0 HD21 ASN A 105 15.178 -1.293 2.026 1.00 1.53 H new ATOM 0 HD22 ASN A 105 15.084 -0.833 3.729 1.00 1.53 H new ATOM 1487 N GLY A 106 16.956 3.077 -1.070 1.00 0.78 N ATOM 1488 CA GLY A 106 17.301 3.391 -2.444 1.00 0.82 C ATOM 1489 C GLY A 106 17.526 2.152 -3.291 1.00 0.94 C ATOM 1490 O GLY A 106 18.433 2.123 -4.124 1.00 1.44 O ATOM 0 H GLY A 106 17.725 3.160 -0.405 1.00 0.78 H new ATOM 0 HA2 GLY A 106 16.504 3.988 -2.887 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.203 4.003 -2.457 1.00 0.82 H new ATOM 1494 N ASP A 107 16.698 1.128 -3.085 1.00 0.74 N ATOM 1495 CA ASP A 107 16.816 -0.115 -3.842 1.00 0.93 C ATOM 1496 C ASP A 107 15.650 -1.062 -3.552 1.00 0.75 C ATOM 1497 O ASP A 107 15.259 -1.853 -4.409 1.00 0.67 O ATOM 1498 CB ASP A 107 18.141 -0.810 -3.522 1.00 1.22 C ATOM 1499 CG ASP A 107 18.335 -1.036 -2.035 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.877 -0.134 -1.363 1.00 2.55 O ATOM 1501 OD2 ASP A 107 17.942 -2.114 -1.542 1.00 2.43 O ATOM 0 H ASP A 107 15.941 1.136 -2.402 1.00 0.74 H new ATOM 0 HA ASP A 107 16.789 0.141 -4.901 1.00 0.93 H new ATOM 0 HB2 ASP A 107 18.179 -1.768 -4.040 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.965 -0.208 -3.905 1.00 1.22 H new ATOM 1506 N THR A 108 15.099 -0.981 -2.342 1.00 0.74 N ATOM 1507 CA THR A 108 13.984 -1.840 -1.951 1.00 0.63 C ATOM 1508 C THR A 108 12.960 -1.083 -1.113 1.00 0.59 C ATOM 1509 O THR A 108 13.313 -0.188 -0.344 1.00 0.77 O ATOM 1510 CB THR A 108 14.466 -3.070 -1.161 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.339 -2.664 -0.101 1.00 1.39 O ATOM 1512 CG2 THR A 108 15.186 -4.054 -2.072 1.00 1.53 C ATOM 0 H THR A 108 15.406 -0.331 -1.618 1.00 0.74 H new ATOM 0 HA THR A 108 13.513 -2.172 -2.876 1.00 0.63 H new ATOM 0 HB THR A 108 13.592 -3.565 -0.739 1.00 0.75 H new ATOM 0 HG1 THR A 108 16.229 -2.476 -0.465 1.00 1.39 H new ATOM 0 HG21 THR A 108 15.517 -4.914 -1.490 1.00 1.53 H new ATOM 0 HG22 THR A 108 14.507 -4.387 -2.857 1.00 1.53 H new ATOM 0 HG23 THR A 108 16.051 -3.567 -2.523 1.00 1.53 H new ATOM 1517 N ILE A 109 11.692 -1.443 -1.271 1.00 0.45 N ATOM 1518 CA ILE A 109 10.615 -0.802 -0.526 1.00 0.44 C ATOM 1519 C ILE A 109 9.777 -1.834 0.226 1.00 0.37 C ATOM 1520 O ILE A 109 9.194 -2.734 -0.380 1.00 0.36 O ATOM 1521 CB ILE A 109 9.706 0.020 -1.464 1.00 0.51 C ATOM 1522 CG1 ILE A 109 10.455 1.246 -1.995 1.00 0.72 C ATOM 1523 CG2 ILE A 109 8.425 0.438 -0.754 1.00 0.70 C ATOM 1524 CD1 ILE A 109 10.857 2.234 -0.918 1.00 1.54 C ATOM 0 H ILE A 109 11.384 -2.177 -1.909 1.00 0.45 H new ATOM 0 HA ILE A 109 11.076 -0.129 0.197 1.00 0.44 H new ATOM 0 HB ILE A 109 9.431 -0.610 -2.309 1.00 0.51 H new ATOM 0 HG12 ILE A 109 11.350 0.913 -2.521 1.00 0.72 H new ATOM 0 HG13 ILE A 109 9.826 1.755 -2.725 1.00 0.72 H new ATOM 0 HG21 ILE A 109 7.802 1.016 -1.437 1.00 0.70 H new ATOM 0 HG22 ILE A 109 7.882 -0.450 -0.431 1.00 0.70 H new ATOM 0 HG23 ILE A 109 8.673 1.048 0.115 1.00 0.70 H new ATOM 0 HD11 ILE A 109 11.382 3.074 -1.373 1.00 1.54 H new ATOM 0 HD12 ILE A 109 9.966 2.597 -0.407 1.00 1.54 H new ATOM 0 HD13 ILE A 109 11.513 1.742 -0.199 1.00 1.54 H new ATOM 1528 N THR A 110 9.723 -1.695 1.549 1.00 0.37 N ATOM 1529 CA THR A 110 8.957 -2.613 2.387 1.00 0.34 C ATOM 1530 C THR A 110 7.809 -1.893 3.089 1.00 0.32 C ATOM 1531 O THR A 110 7.973 -0.777 3.581 1.00 0.37 O ATOM 1532 CB THR A 110 9.854 -3.279 3.448 1.00 0.39 C ATOM 1533 OG1 THR A 110 11.013 -3.844 2.825 1.00 0.44 O ATOM 1534 CG2 THR A 110 9.096 -4.369 4.193 1.00 0.41 C ATOM 0 H THR A 110 10.201 -0.955 2.063 1.00 0.37 H new ATOM 0 HA THR A 110 8.550 -3.380 1.728 1.00 0.34 H new ATOM 0 HB THR A 110 10.159 -2.515 4.163 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.579 -4.264 3.506 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.750 -4.824 4.936 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.229 -3.934 4.690 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.765 -5.130 3.486 1.00 0.41 H new ATOM 1539 N ASN A 111 6.648 -2.540 3.132 1.00 0.31 N ATOM 1540 CA ASN A 111 5.472 -1.962 3.781 1.00 0.33 C ATOM 1541 C ASN A 111 4.965 -2.881 4.891 1.00 0.31 C ATOM 1542 O ASN A 111 4.929 -4.100 4.728 1.00 0.32 O ATOM 1543 CB ASN A 111 4.368 -1.712 2.751 1.00 0.39 C ATOM 1544 CG ASN A 111 3.128 -1.096 3.366 1.00 1.15 C ATOM 1545 OD1 ASN A 111 2.172 -1.938 3.738 1.00 1.89 O flip ATOM 1546 ND2 ASN A 111 3.026 0.124 3.498 1.00 1.95 N flip ATOM 0 H ASN A 111 6.495 -3.463 2.726 1.00 0.31 H new ATOM 0 HA ASN A 111 5.757 -1.009 4.227 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.747 -1.054 1.970 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.102 -2.655 2.272 1.00 0.39 H new ATOM 0 HD21 ASN A 111 3.786 0.735 3.198 1.00 1.95 H new ATOM 0 HD22 ASN A 111 2.182 0.524 3.907 1.00 1.95 H new ATOM 1551 N THR A 112 4.576 -2.292 6.021 1.00 0.31 N ATOM 1552 CA THR A 112 4.085 -3.073 7.155 1.00 0.30 C ATOM 1553 C THR A 112 2.656 -2.696 7.530 1.00 0.30 C ATOM 1554 O THR A 112 2.374 -1.546 7.859 1.00 0.32 O ATOM 1555 CB THR A 112 4.975 -2.886 8.397 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.354 -2.849 8.013 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.754 -4.015 9.392 1.00 0.57 C ATOM 0 H THR A 112 4.591 -1.284 6.175 1.00 0.31 H new ATOM 0 HA THR A 112 4.112 -4.115 6.835 1.00 0.30 H new ATOM 0 HB THR A 112 4.705 -1.942 8.871 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.568 -1.966 7.646 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.393 -3.863 10.262 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.710 -4.025 9.705 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.001 -4.967 8.922 1.00 0.57 H new ATOM 1562 N MET A 113 1.761 -3.677 7.473 1.00 0.31 N ATOM 1563 CA MET A 113 0.362 -3.465 7.830 1.00 0.33 C ATOM 1564 C MET A 113 -0.057 -4.455 8.912 1.00 0.33 C ATOM 1565 O MET A 113 0.015 -5.666 8.710 1.00 0.35 O ATOM 1566 CB MET A 113 -0.537 -3.623 6.603 1.00 0.36 C ATOM 1567 CG MET A 113 -0.379 -2.508 5.584 1.00 0.45 C ATOM 1568 SD MET A 113 -1.412 -2.752 4.125 1.00 0.55 S ATOM 1569 CE MET A 113 -1.002 -1.292 3.171 1.00 1.51 C ATOM 0 H MET A 113 1.980 -4.630 7.182 1.00 0.31 H new ATOM 0 HA MET A 113 0.253 -2.450 8.212 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.317 -4.576 6.123 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.577 -3.662 6.928 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.633 -1.556 6.050 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.666 -2.445 5.279 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.819 -1.064 2.486 1.00 1.51 H new ATOM 0 HE2 MET A 113 -0.847 -0.449 3.844 1.00 1.51 H new ATOM 0 HE3 MET A 113 -0.091 -1.474 2.601 1.00 1.51 H new ATOM 1579 N THR A 114 -0.498 -3.941 10.057 1.00 0.34 N ATOM 1580 CA THR A 114 -0.917 -4.805 11.154 1.00 0.35 C ATOM 1581 C THR A 114 -2.366 -4.548 11.550 1.00 0.39 C ATOM 1582 O THR A 114 -2.734 -3.435 11.924 1.00 0.43 O ATOM 1583 CB THR A 114 -0.020 -4.616 12.391 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.356 -4.782 12.029 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.383 -5.615 13.482 1.00 0.56 C ATOM 0 H THR A 114 -0.574 -2.942 10.247 1.00 0.34 H new ATOM 0 HA THR A 114 -0.823 -5.829 10.794 1.00 0.35 H new ATOM 0 HB THR A 114 -0.177 -3.608 12.774 1.00 0.42 H new ATOM 0 HG1 THR A 114 1.920 -4.658 12.821 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.264 -5.462 14.346 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.422 -5.470 13.777 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.251 -6.629 13.105 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.183 -5.593 11.461 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.590 -5.507 11.816 1.00 0.50 C ATOM 1592 C LEU A 115 -5.063 -6.815 12.441 1.00 0.60 C ATOM 1593 O LEU A 115 -5.069 -7.857 11.788 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.428 -5.171 10.581 1.00 0.56 C ATOM 1595 CG LEU A 115 -5.219 -6.087 9.371 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -6.427 -6.034 8.451 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -3.960 -5.690 8.612 1.00 1.85 C ATOM 0 H LEU A 115 -2.888 -6.516 11.143 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.716 -4.710 12.549 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -6.481 -5.201 10.859 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.207 -4.147 10.281 1.00 0.56 H new ATOM 0 HG LEU A 115 -5.099 -7.109 9.730 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -6.263 -6.690 7.596 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -7.313 -6.362 8.995 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -6.573 -5.012 8.101 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -3.828 -6.351 7.756 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -4.054 -4.661 8.265 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -3.096 -5.773 9.272 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.455 -6.756 13.707 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.923 -7.947 14.392 1.00 0.84 C ATOM 1605 C GLY A 116 -4.840 -9.003 14.541 1.00 0.93 C ATOM 1606 O GLY A 116 -5.068 -10.176 14.244 1.00 1.80 O ATOM 0 H GLY A 116 -5.458 -5.907 14.272 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.294 -7.671 15.379 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.764 -8.370 13.843 1.00 0.84 H new ATOM 1610 N ASP A 117 -3.660 -8.578 14.993 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.530 -9.485 15.200 1.00 0.54 C ATOM 1612 C ASP A 117 -2.006 -10.049 13.879 1.00 0.50 C ATOM 1613 O ASP A 117 -1.090 -10.871 13.867 1.00 0.56 O ATOM 1614 CB ASP A 117 -2.926 -10.628 16.141 1.00 0.61 C ATOM 1615 CG ASP A 117 -1.745 -11.498 16.526 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -0.991 -11.105 17.441 1.00 2.23 O ATOM 1617 OD2 ASP A 117 -1.574 -12.572 15.911 1.00 2.14 O ATOM 0 H ASP A 117 -3.461 -7.605 15.224 1.00 0.53 H new ATOM 0 HA ASP A 117 -1.727 -8.907 15.657 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -3.377 -10.213 17.042 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -3.686 -11.244 15.660 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.583 -9.604 12.767 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.160 -10.070 11.452 1.00 0.45 C ATOM 1624 C ILE A 118 -1.015 -9.223 10.910 1.00 0.38 C ATOM 1625 O ILE A 118 -1.036 -7.997 11.012 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.323 -10.041 10.449 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.551 -10.718 11.056 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.916 -10.720 9.149 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.761 -10.717 10.151 1.00 0.83 C ATOM 0 H ILE A 118 -3.342 -8.923 12.751 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.820 -11.098 11.575 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.575 -9.004 10.225 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.299 -11.748 11.308 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.807 -10.216 11.989 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.750 -10.692 8.447 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -2.062 -10.198 8.718 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.645 -11.757 9.349 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.591 -11.215 10.652 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -6.041 -9.689 9.919 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.525 -11.246 9.228 1.00 0.83 H new ATOM 1633 N VAL A 119 -0.017 -9.884 10.333 1.00 0.40 N ATOM 1634 CA VAL A 119 1.139 -9.190 9.780 1.00 0.36 C ATOM 1635 C VAL A 119 1.185 -9.287 8.262 1.00 0.35 C ATOM 1636 O VAL A 119 1.288 -10.375 7.697 1.00 0.38 O ATOM 1637 CB VAL A 119 2.455 -9.740 10.362 1.00 0.40 C ATOM 1638 CG1 VAL A 119 3.641 -8.921 9.876 1.00 1.35 C ATOM 1639 CG2 VAL A 119 2.398 -9.759 11.883 1.00 1.31 C ATOM 0 H VAL A 119 0.014 -10.899 10.236 1.00 0.40 H new ATOM 0 HA VAL A 119 1.032 -8.142 10.061 1.00 0.36 H new ATOM 0 HB VAL A 119 2.585 -10.764 10.012 1.00 0.40 H new ATOM 0 HG11 VAL A 119 4.560 -9.326 10.299 1.00 1.35 H new ATOM 0 HG12 VAL A 119 3.692 -8.964 8.788 1.00 1.35 H new ATOM 0 HG13 VAL A 119 3.522 -7.885 10.193 1.00 1.35 H new ATOM 0 HG21 VAL A 119 3.336 -10.150 12.277 1.00 1.31 H new ATOM 0 HG22 VAL A 119 2.243 -8.746 12.254 1.00 1.31 H new ATOM 0 HG23 VAL A 119 1.574 -10.394 12.208 1.00 1.31 H new ATOM 1643 N TYR A 120 1.105 -8.132 7.611 1.00 0.38 N ATOM 1644 CA TYR A 120 1.155 -8.062 6.157 1.00 0.38 C ATOM 1645 C TYR A 120 2.394 -7.274 5.733 1.00 0.37 C ATOM 1646 O TYR A 120 2.526 -6.095 6.059 1.00 0.41 O ATOM 1647 CB TYR A 120 -0.120 -7.382 5.638 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.426 -7.646 4.179 1.00 0.67 C ATOM 1649 CD1 TYR A 120 -1.190 -8.741 3.793 1.00 0.77 C ATOM 1650 CD2 TYR A 120 0.056 -6.800 3.185 1.00 0.96 C ATOM 1651 CE1 TYR A 120 -1.464 -8.987 2.461 1.00 1.08 C ATOM 1652 CE2 TYR A 120 -0.216 -7.038 1.851 1.00 1.28 C ATOM 1653 CZ TYR A 120 -1.001 -8.127 1.498 1.00 1.32 C ATOM 1654 OH TYR A 120 -1.248 -8.374 0.166 1.00 1.67 O ATOM 0 H TYR A 120 1.005 -7.227 8.071 1.00 0.38 H new ATOM 0 HA TYR A 120 1.215 -9.065 5.735 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.965 -7.717 6.239 1.00 0.43 H new ATOM 0 HB3 TYR A 120 -0.029 -6.306 5.788 1.00 0.43 H new ATOM 0 HD1 TYR A 120 -1.576 -9.411 4.547 1.00 0.77 H new ATOM 0 HD2 TYR A 120 0.653 -5.943 3.461 1.00 0.96 H new ATOM 0 HE1 TYR A 120 -2.042 -9.855 2.179 1.00 1.08 H new ATOM 0 HE2 TYR A 120 0.179 -6.382 1.089 1.00 1.28 H new ATOM 0 HH TYR A 120 -0.849 -7.663 -0.378 1.00 1.67 H new ATOM 1664 N LYS A 121 3.300 -7.925 5.006 1.00 0.35 N ATOM 1665 CA LYS A 121 4.528 -7.272 4.561 1.00 0.36 C ATOM 1666 C LYS A 121 4.752 -7.454 3.064 1.00 0.35 C ATOM 1667 O LYS A 121 4.806 -8.580 2.569 1.00 0.36 O ATOM 1668 CB LYS A 121 5.729 -7.822 5.335 1.00 0.39 C ATOM 1669 CG LYS A 121 7.040 -7.136 4.993 1.00 0.91 C ATOM 1670 CD LYS A 121 8.200 -7.716 5.787 1.00 1.08 C ATOM 1671 CE LYS A 121 8.497 -9.150 5.380 1.00 1.35 C ATOM 1672 NZ LYS A 121 9.578 -9.750 6.210 1.00 2.05 N ATOM 0 H LYS A 121 3.208 -8.898 4.714 1.00 0.35 H new ATOM 0 HA LYS A 121 4.424 -6.205 4.759 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.541 -7.716 6.403 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.823 -8.889 5.132 1.00 0.39 H new ATOM 0 HG2 LYS A 121 7.239 -7.242 3.927 1.00 0.91 H new ATOM 0 HG3 LYS A 121 6.957 -6.069 5.197 1.00 0.91 H new ATOM 0 HD2 LYS A 121 9.088 -7.103 5.635 1.00 1.08 H new ATOM 0 HD3 LYS A 121 7.967 -7.680 6.851 1.00 1.08 H new ATOM 0 HE2 LYS A 121 7.591 -9.749 5.475 1.00 1.35 H new ATOM 0 HE3 LYS A 121 8.788 -9.176 4.330 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 9.751 -10.728 5.901 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 10.450 -9.193 6.100 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 9.290 -9.748 7.209 1.00 2.05 H new ATOM 1686 N ARG A 122 4.904 -6.342 2.353 1.00 0.35 N ATOM 1687 CA ARG A 122 5.126 -6.381 0.912 1.00 0.36 C ATOM 1688 C ARG A 122 6.594 -6.142 0.577 1.00 0.34 C ATOM 1689 O ARG A 122 7.177 -5.129 0.966 1.00 0.36 O ATOM 1690 CB ARG A 122 4.246 -5.340 0.210 1.00 0.39 C ATOM 1691 CG ARG A 122 4.770 -4.897 -1.147 1.00 0.73 C ATOM 1692 CD ARG A 122 3.840 -3.886 -1.798 1.00 0.64 C ATOM 1693 NE ARG A 122 3.649 -2.703 -0.964 1.00 1.23 N ATOM 1694 CZ ARG A 122 2.667 -1.826 -1.142 1.00 1.44 C ATOM 1695 NH1 ARG A 122 1.786 -1.999 -2.117 1.00 1.14 N ATOM 1696 NH2 ARG A 122 2.562 -0.775 -0.341 1.00 2.32 N ATOM 0 H ARG A 122 4.878 -5.403 2.751 1.00 0.35 H new ATOM 0 HA ARG A 122 4.853 -7.374 0.555 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.245 -5.752 0.084 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.152 -4.466 0.854 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.761 -4.459 -1.031 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.879 -5.765 -1.798 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.248 -3.587 -2.763 1.00 0.64 H new ATOM 0 HD3 ARG A 122 2.874 -4.353 -1.991 1.00 0.64 H new ATOM 0 HE ARG A 122 4.307 -2.541 -0.201 1.00 1.23 H new ATOM 0 HH11 ARG A 122 1.860 -2.808 -2.734 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.034 -1.323 -2.250 1.00 1.14 H new ATOM 0 HH21 ARG A 122 3.236 -0.639 0.413 1.00 2.32 H new ATOM 0 HH22 ARG A 122 1.808 -0.102 -0.479 1.00 2.32 H new ATOM 1710 N VAL A 123 7.182 -7.089 -0.149 1.00 0.32 N ATOM 1711 CA VAL A 123 8.578 -6.996 -0.555 1.00 0.32 C ATOM 1712 C VAL A 123 8.678 -6.648 -2.035 1.00 0.30 C ATOM 1713 O VAL A 123 8.180 -7.383 -2.885 1.00 0.33 O ATOM 1714 CB VAL A 123 9.323 -8.321 -0.302 1.00 0.36 C ATOM 1715 CG1 VAL A 123 10.811 -8.162 -0.577 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.084 -8.807 1.120 1.00 0.40 C ATOM 0 H VAL A 123 6.708 -7.934 -0.469 1.00 0.32 H new ATOM 0 HA VAL A 123 9.040 -6.210 0.042 1.00 0.32 H new ATOM 0 HB VAL A 123 8.930 -9.071 -0.988 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.318 -9.109 -0.392 1.00 0.41 H new ATOM 0 HG12 VAL A 123 10.960 -7.867 -1.616 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.223 -7.396 0.080 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.618 -9.744 1.279 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.445 -8.059 1.826 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.017 -8.967 1.275 1.00 0.40 H new ATOM 1720 N SER A 124 9.322 -5.527 -2.342 1.00 0.30 N ATOM 1721 CA SER A 124 9.464 -5.094 -3.727 1.00 0.31 C ATOM 1722 C SER A 124 10.913 -4.755 -4.063 1.00 0.32 C ATOM 1723 O SER A 124 11.653 -4.237 -3.226 1.00 0.36 O ATOM 1724 CB SER A 124 8.567 -3.887 -3.997 1.00 0.35 C ATOM 1725 OG SER A 124 7.228 -4.148 -3.612 1.00 1.14 O ATOM 0 H SER A 124 9.751 -4.906 -1.656 1.00 0.30 H new ATOM 0 HA SER A 124 9.157 -5.921 -4.367 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.943 -3.022 -3.451 1.00 0.35 H new ATOM 0 HB3 SER A 124 8.601 -3.635 -5.057 1.00 0.35 H new ATOM 0 HG SER A 124 6.676 -3.359 -3.794 1.00 1.14 H new ATOM 1731 N LYS A 125 11.304 -5.051 -5.300 1.00 0.35 N ATOM 1732 CA LYS A 125 12.659 -4.784 -5.770 1.00 0.39 C ATOM 1733 C LYS A 125 12.667 -3.637 -6.776 1.00 0.35 C ATOM 1734 O LYS A 125 11.699 -3.438 -7.509 1.00 0.38 O ATOM 1735 CB LYS A 125 13.257 -6.040 -6.408 1.00 0.52 C ATOM 1736 CG LYS A 125 12.473 -6.544 -7.597 1.00 0.88 C ATOM 1737 CD LYS A 125 13.310 -7.453 -8.486 1.00 1.37 C ATOM 1738 CE LYS A 125 14.424 -6.688 -9.182 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.267 -7.580 -10.026 1.00 2.04 N ATOM 0 H LYS A 125 10.696 -5.479 -5.999 1.00 0.35 H new ATOM 0 HA LYS A 125 13.266 -4.497 -4.911 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.279 -5.827 -6.721 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.311 -6.829 -5.658 1.00 0.52 H new ATOM 0 HG2 LYS A 125 11.594 -7.086 -7.249 1.00 0.88 H new ATOM 0 HG3 LYS A 125 12.114 -5.696 -8.181 1.00 0.88 H new ATOM 0 HD2 LYS A 125 13.739 -8.255 -7.885 1.00 1.37 H new ATOM 0 HD3 LYS A 125 12.669 -7.922 -9.233 1.00 1.37 H new ATOM 0 HE2 LYS A 125 13.992 -5.903 -9.802 1.00 1.37 H new ATOM 0 HE3 LYS A 125 15.049 -6.197 -8.436 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.015 -7.020 -10.483 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 15.700 -8.315 -9.430 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 14.676 -8.029 -10.755 1.00 2.04 H new ATOM 1753 N ARG A 126 13.767 -2.891 -6.810 1.00 0.37 N ATOM 1754 CA ARG A 126 13.895 -1.759 -7.723 1.00 0.40 C ATOM 1755 C ARG A 126 14.033 -2.228 -9.168 1.00 0.44 C ATOM 1756 O ARG A 126 14.735 -3.198 -9.454 1.00 0.52 O ATOM 1757 CB ARG A 126 15.104 -0.906 -7.336 1.00 0.51 C ATOM 1758 CG ARG A 126 15.308 0.306 -8.231 1.00 0.63 C ATOM 1759 CD ARG A 126 16.571 1.066 -7.857 1.00 1.14 C ATOM 1760 NE ARG A 126 16.764 2.254 -8.683 1.00 1.70 N ATOM 1761 CZ ARG A 126 17.701 3.170 -8.448 1.00 2.27 C ATOM 1762 NH1 ARG A 126 18.519 3.034 -7.414 1.00 2.51 N ATOM 1763 NH2 ARG A 126 17.818 4.221 -9.247 1.00 3.09 N ATOM 0 H ARG A 126 14.582 -3.049 -6.217 1.00 0.37 H new ATOM 0 HA ARG A 126 12.988 -1.159 -7.644 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.986 -0.570 -6.306 1.00 0.51 H new ATOM 0 HB3 ARG A 126 16.000 -1.526 -7.368 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.369 -0.014 -9.271 1.00 0.63 H new ATOM 0 HG3 ARG A 126 14.446 0.968 -8.151 1.00 0.63 H new ATOM 0 HD2 ARG A 126 16.520 1.359 -6.808 1.00 1.14 H new ATOM 0 HD3 ARG A 126 17.434 0.408 -7.962 1.00 1.14 H new ATOM 0 HE ARG A 126 16.147 2.390 -9.484 1.00 1.70 H new ATOM 0 HH11 ARG A 126 18.431 2.227 -6.797 1.00 2.51 H new ATOM 0 HH12 ARG A 126 19.236 3.737 -7.235 1.00 2.51 H new ATOM 0 HH21 ARG A 126 17.190 4.329 -10.043 1.00 3.09 H new ATOM 0 HH22 ARG A 126 18.536 4.922 -9.066 1.00 3.09 H new ATOM 1777 N ILE A 127 13.355 -1.529 -10.073 1.00 0.48 N ATOM 1778 CA ILE A 127 13.395 -1.861 -11.492 1.00 0.58 C ATOM 1779 C ILE A 127 13.376 -0.601 -12.353 1.00 0.75 C ATOM 1780 O ILE A 127 14.261 -0.388 -13.180 1.00 1.31 O ATOM 1781 CB ILE A 127 12.211 -2.760 -11.893 1.00 0.76 C ATOM 1782 CG1 ILE A 127 10.912 -2.239 -11.271 1.00 0.82 C ATOM 1783 CG2 ILE A 127 12.475 -4.199 -11.470 1.00 1.23 C ATOM 1784 CD1 ILE A 127 9.681 -3.005 -11.706 1.00 1.21 C ATOM 0 H ILE A 127 12.769 -0.725 -9.847 1.00 0.48 H new ATOM 0 HA ILE A 127 14.326 -2.401 -11.663 1.00 0.58 H new ATOM 0 HB ILE A 127 12.103 -2.736 -12.977 1.00 0.76 H new ATOM 0 HG12 ILE A 127 10.994 -2.287 -10.185 1.00 0.82 H new ATOM 0 HG13 ILE A 127 10.788 -1.189 -11.535 1.00 0.82 H new ATOM 0 HG21 ILE A 127 11.630 -4.824 -11.759 1.00 1.23 H new ATOM 0 HG22 ILE A 127 13.379 -4.562 -11.959 1.00 1.23 H new ATOM 0 HG23 ILE A 127 12.605 -4.242 -10.389 1.00 1.23 H new ATOM 0 HD11 ILE A 127 8.800 -2.580 -11.226 1.00 1.21 H new ATOM 0 HD12 ILE A 127 9.573 -2.936 -12.788 1.00 1.21 H new ATOM 0 HD13 ILE A 127 9.783 -4.051 -11.417 1.00 1.21 H new