USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1346 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 69 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 70 GLN : amide:sc= -1.34 K(o=-1.3,f=-3.2!) USER MOD Set 2.1: A 8 SER OG : rot -114:sc= 1.74 USER MOD Set 2.2: A 10 TYR OH : rot 120:sc= -2.7! USER MOD Single : A 6 LYS NZ :NH3+ -155:sc= -1.11 (180deg=-1.83) USER MOD Single : A 14 ASN : amide:sc= -0.897 X(o=-0.9,f=-0.62) USER MOD Single : A 16 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.22) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -108:sc= 1.2 USER MOD Single : A 24 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 26 CYS SG : rot 151:sc= -1.52! USER MOD Single : A 31 SER OG : rot -15:sc= 0.212! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -32:sc= 0.278 USER MOD Single : A 36 CYS SG : rot 44:sc= -2.68! USER MOD Single : A 37 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.062) USER MOD Single : A 38 SER OG : rot 66:sc= 1.15 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 55 SER OG : rot -87:sc= 0.779 USER MOD Single : A 57 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-5.7!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 87:sc= -2.48 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0274 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 81 SER OG : rot -175:sc= -2.17! USER MOD Single : A 82 CYS SG : rot 29:sc= -0.207 USER MOD Single : A 86 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.12) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.5) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.366! C(o=-0.37!,f=-4.9!) USER MOD Single : A 106 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.2) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 CYS SG : rot 150:sc= -0.273 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -14.8! C(o=-15!,f=-16!) USER MOD Single : A 122 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.84) USER MOD Single : A 127 HIS : no HD1:sc= -0.349 X(o=-0.35,f=-0.022) USER MOD Single : A 128 SER OG : rot 53:sc= -0.973! USER MOD Single : A 129 CYS SG : rot 42:sc= -0.742 USER MOD Single : A 130 LYS NZ :NH3+ -137:sc= -0.777 (180deg=-1.08) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 TYR OH : rot -140:sc= -0.994 USER MOD Single : A 143 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.046) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.72) USER MOD Single : A 149 TYR OH : rot 150:sc= -0.0309 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ -157:sc= -0.0422 (180deg=-0.376) USER MOD Single : A 156 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 158 LYS NZ :NH3+ -122:sc= -0.0684 (180deg=-0.602) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.059) USER MOD Single : A 171 SER OG : rot -152:sc= -1.19! USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.592 -11.921 0.964 1.00 0.01 N ATOM 58 CA GLY A 5 13.353 -10.681 0.175 1.00 0.01 C ATOM 59 C GLY A 5 14.516 -9.703 0.353 1.00 0.01 C ATOM 60 O GLY A 5 15.142 -9.646 1.393 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.237 -10.930 -0.880 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.423 -10.212 0.496 1.00 0.01 H new ATOM 64 N LYS A 6 14.809 -8.934 -0.661 1.00 0.00 N ATOM 65 CA LYS A 6 15.934 -7.952 -0.568 1.00 0.01 C ATOM 66 C LYS A 6 15.673 -6.772 -1.505 1.00 0.01 C ATOM 67 O LYS A 6 15.232 -6.938 -2.626 1.00 0.00 O ATOM 68 CB LYS A 6 17.254 -8.623 -0.958 1.00 0.02 C ATOM 69 CG LYS A 6 18.426 -7.738 -0.528 1.00 0.02 C ATOM 70 CD LYS A 6 19.703 -8.201 -1.233 1.00 0.02 C ATOM 71 CE LYS A 6 19.947 -9.681 -0.933 1.00 0.02 C ATOM 72 NZ LYS A 6 19.679 -9.946 0.509 1.00 0.02 N ATOM 0 H LYS A 6 14.317 -8.942 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 6 16.001 -7.595 0.460 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.331 -9.601 -0.483 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.286 -8.788 -2.035 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.219 -6.697 -0.775 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.556 -7.789 0.553 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.613 -8.048 -2.308 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.552 -7.606 -0.896 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.300 -10.300 -1.554 1.00 0.02 H new ATOM 0 HE3 LYS A 6 20.975 -9.948 -1.178 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 20.219 -10.780 0.815 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 19.967 -9.121 1.073 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 18.663 -10.122 0.647 1.00 0.02 H new ATOM 86 N ILE A 7 15.957 -5.576 -1.045 1.00 0.02 N ATOM 87 CA ILE A 7 15.754 -4.354 -1.885 1.00 0.00 C ATOM 88 C ILE A 7 17.031 -3.506 -1.859 1.00 0.02 C ATOM 89 O ILE A 7 17.662 -3.348 -0.832 1.00 0.01 O ATOM 90 CB ILE A 7 14.555 -3.566 -1.356 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.447 -2.234 -2.107 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.731 -3.295 0.135 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.101 -1.579 -1.792 1.00 0.02 C ATOM 0 H ILE A 7 16.325 -5.394 -0.111 1.00 0.02 H new ATOM 0 HA ILE A 7 15.548 -4.636 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 7 13.647 -4.148 -1.511 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.263 -1.572 -1.815 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.540 -2.401 -3.180 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.874 -2.733 0.506 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.804 -4.241 0.671 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.641 -2.716 0.295 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.024 -0.632 -2.326 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.293 -2.239 -2.106 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.026 -1.398 -0.720 1.00 0.02 H new ATOM 105 N SER A 8 17.411 -2.954 -2.989 1.00 0.02 N ATOM 106 CA SER A 8 18.648 -2.105 -3.059 1.00 0.02 C ATOM 107 C SER A 8 18.290 -0.705 -3.564 1.00 0.01 C ATOM 108 O SER A 8 17.621 -0.550 -4.565 1.00 0.02 O ATOM 109 CB SER A 8 19.668 -2.742 -4.010 1.00 0.30 C ATOM 110 OG SER A 8 20.421 -1.720 -4.652 1.00 0.39 O ATOM 0 H SER A 8 16.913 -3.056 -3.874 1.00 0.02 H new ATOM 0 HA SER A 8 19.081 -2.032 -2.061 1.00 0.02 H new ATOM 0 HB2 SER A 8 20.333 -3.405 -3.456 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.156 -3.353 -4.754 1.00 0.30 H new ATOM 0 HG SER A 8 20.217 -1.716 -5.610 1.00 0.39 H new ATOM 116 N PHE A 9 18.751 0.318 -2.876 1.00 0.02 N ATOM 117 CA PHE A 9 18.473 1.730 -3.299 1.00 0.01 C ATOM 118 C PHE A 9 19.772 2.387 -3.790 1.00 0.01 C ATOM 119 O PHE A 9 20.828 2.181 -3.221 1.00 0.02 O ATOM 120 CB PHE A 9 17.937 2.523 -2.097 1.00 0.02 C ATOM 121 CG PHE A 9 16.965 1.678 -1.308 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.442 0.671 -0.459 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.587 1.908 -1.415 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.542 -0.104 0.281 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.688 1.133 -0.673 1.00 0.02 C ATOM 126 CZ PHE A 9 15.167 0.126 0.174 1.00 0.02 C ATOM 0 H PHE A 9 19.314 0.232 -2.030 1.00 0.02 H new ATOM 0 HA PHE A 9 17.737 1.727 -4.103 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.764 2.832 -1.458 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.444 3.432 -2.442 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.504 0.493 -0.376 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.218 2.683 -2.070 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.910 -0.880 0.935 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.626 1.312 -0.754 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.474 -0.474 0.745 1.00 0.02 H new ATOM 136 N TYR A 10 19.704 3.176 -4.843 1.00 0.02 N ATOM 137 CA TYR A 10 20.935 3.852 -5.379 1.00 0.01 C ATOM 138 C TYR A 10 20.723 5.371 -5.379 1.00 0.02 C ATOM 139 O TYR A 10 19.652 5.860 -5.687 1.00 0.01 O ATOM 140 CB TYR A 10 21.191 3.387 -6.817 1.00 0.02 C ATOM 141 CG TYR A 10 21.073 1.880 -6.910 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.816 1.268 -6.828 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.221 1.095 -7.091 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.706 -0.123 -6.930 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.108 -0.297 -7.190 1.00 0.02 C ATOM 146 CZ TYR A 10 20.851 -0.905 -7.109 1.00 0.00 C ATOM 147 OH TYR A 10 20.741 -2.277 -7.208 1.00 0.02 O ATOM 0 H TYR A 10 18.846 3.381 -5.355 1.00 0.02 H new ATOM 0 HA TYR A 10 21.788 3.596 -4.751 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.475 3.857 -7.491 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.184 3.701 -7.137 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.931 1.870 -6.686 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.192 1.564 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.736 -0.593 -6.870 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.992 -0.902 -7.329 1.00 0.02 H new ATOM 0 HH TYR A 10 21.092 -2.572 -8.074 1.00 0.02 H new ATOM 157 N GLU A 11 21.720 6.126 -4.995 1.00 0.00 N ATOM 158 CA GLU A 11 21.550 7.606 -4.935 1.00 0.02 C ATOM 159 C GLU A 11 21.421 8.222 -6.330 1.00 0.03 C ATOM 160 O GLU A 11 20.809 9.262 -6.479 1.00 0.03 O ATOM 161 CB GLU A 11 22.756 8.229 -4.234 1.00 0.00 C ATOM 162 CG GLU A 11 22.901 7.630 -2.838 1.00 0.00 C ATOM 163 CD GLU A 11 23.936 8.428 -2.044 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.685 9.166 -2.660 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.963 8.286 -0.832 1.00 0.01 O ATOM 0 H GLU A 11 22.641 5.782 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 11 20.633 7.810 -4.383 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.661 8.048 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.632 9.310 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.941 7.646 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.207 6.586 -2.909 1.00 0.00 H new ATOM 172 N ASP A 12 21.982 7.617 -7.354 1.00 0.02 N ATOM 173 CA ASP A 12 21.872 8.208 -8.730 1.00 0.01 C ATOM 174 C ASP A 12 21.045 7.294 -9.634 1.00 0.02 C ATOM 175 O ASP A 12 20.718 6.176 -9.290 1.00 0.02 O ATOM 176 CB ASP A 12 23.268 8.370 -9.334 1.00 0.01 C ATOM 177 CG ASP A 12 23.181 9.232 -10.594 1.00 0.01 C ATOM 178 OD1 ASP A 12 22.831 10.394 -10.470 1.00 0.02 O ATOM 179 OD2 ASP A 12 23.466 8.716 -11.663 1.00 0.03 O ATOM 0 H ASP A 12 22.508 6.745 -7.297 1.00 0.02 H new ATOM 0 HA ASP A 12 21.384 9.180 -8.653 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.938 8.833 -8.609 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.687 7.393 -9.577 1.00 0.01 H new ATOM 184 N ARG A 13 20.704 7.785 -10.792 1.00 0.02 N ATOM 185 CA ARG A 13 19.889 6.994 -11.757 1.00 0.02 C ATOM 186 C ARG A 13 20.760 5.923 -12.424 1.00 0.00 C ATOM 187 O ARG A 13 21.971 6.027 -12.472 1.00 0.02 O ATOM 188 CB ARG A 13 19.347 7.946 -12.825 1.00 0.00 C ATOM 189 CG ARG A 13 18.213 8.786 -12.231 1.00 0.01 C ATOM 190 CD ARG A 13 17.746 9.820 -13.260 1.00 0.02 C ATOM 191 NE ARG A 13 16.928 10.861 -12.578 1.00 0.03 N ATOM 192 CZ ARG A 13 16.674 11.987 -13.183 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.132 12.200 -14.386 1.00 0.02 N ATOM 194 NH2 ARG A 13 15.961 12.903 -12.587 1.00 0.02 N ATOM 0 H ARG A 13 20.960 8.717 -11.117 1.00 0.02 H new ATOM 0 HA ARG A 13 19.068 6.504 -11.233 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.144 8.595 -13.187 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.984 7.379 -13.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.382 8.142 -11.944 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.554 9.288 -11.326 1.00 0.01 H new ATOM 0 HD2 ARG A 13 18.606 10.279 -13.747 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.160 9.334 -14.040 1.00 0.02 H new ATOM 0 HE ARG A 13 16.567 10.693 -11.639 1.00 0.03 H new ATOM 0 HH11 ARG A 13 17.689 11.485 -14.854 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.933 13.082 -14.859 1.00 0.02 H new ATOM 0 HH21 ARG A 13 15.602 12.738 -11.647 1.00 0.02 H new ATOM 0 HH22 ARG A 13 15.763 13.784 -13.061 1.00 0.02 H new ATOM 208 N ASN A 14 20.134 4.898 -12.945 1.00 0.02 N ATOM 209 CA ASN A 14 20.882 3.804 -13.632 1.00 0.02 C ATOM 210 C ASN A 14 21.767 3.044 -12.638 1.00 0.02 C ATOM 211 O ASN A 14 22.852 2.601 -12.954 1.00 0.02 O ATOM 212 CB ASN A 14 21.725 4.404 -14.764 1.00 0.26 C ATOM 213 CG ASN A 14 22.077 3.314 -15.781 1.00 0.12 C ATOM 214 OD1 ASN A 14 21.417 3.177 -16.792 1.00 0.74 O ATOM 215 ND2 ASN A 14 23.095 2.530 -15.554 1.00 0.46 N ATOM 0 H ASN A 14 19.122 4.772 -12.922 1.00 0.02 H new ATOM 0 HA ASN A 14 20.172 3.092 -14.052 1.00 0.02 H new ATOM 0 HB2 ASN A 14 21.174 5.207 -15.254 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.636 4.844 -14.358 1.00 0.26 H new ATOM 0 HD21 ASN A 14 23.337 1.801 -16.225 1.00 0.46 H new ATOM 0 HD22 ASN A 14 23.648 2.646 -14.705 1.00 0.46 H new ATOM 222 N PHE A 15 21.275 2.911 -11.428 1.00 0.02 N ATOM 223 CA PHE A 15 22.002 2.188 -10.337 1.00 0.02 C ATOM 224 C PHE A 15 23.443 2.680 -10.208 1.00 0.00 C ATOM 225 O PHE A 15 24.369 1.909 -10.053 1.00 0.02 O ATOM 226 CB PHE A 15 21.971 0.663 -10.560 1.00 0.02 C ATOM 227 CG PHE A 15 22.315 0.313 -11.987 1.00 0.02 C ATOM 228 CD1 PHE A 15 21.302 0.230 -12.951 1.00 0.02 C ATOM 229 CD2 PHE A 15 23.646 0.070 -12.348 1.00 0.02 C ATOM 230 CE1 PHE A 15 21.620 -0.098 -14.274 1.00 0.02 C ATOM 231 CE2 PHE A 15 23.964 -0.256 -13.672 1.00 0.02 C ATOM 232 CZ PHE A 15 22.952 -0.340 -14.635 1.00 0.02 C ATOM 0 H PHE A 15 20.370 3.287 -11.144 1.00 0.02 H new ATOM 0 HA PHE A 15 21.484 2.406 -9.403 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.676 0.180 -9.884 1.00 0.02 H new ATOM 0 HB3 PHE A 15 20.981 0.277 -10.317 1.00 0.02 H new ATOM 0 HD1 PHE A 15 20.276 0.419 -12.673 1.00 0.02 H new ATOM 0 HD2 PHE A 15 24.427 0.134 -11.605 1.00 0.02 H new ATOM 0 HE1 PHE A 15 20.839 -0.165 -15.017 1.00 0.02 H new ATOM 0 HE2 PHE A 15 24.991 -0.443 -13.950 1.00 0.02 H new ATOM 0 HZ PHE A 15 23.198 -0.591 -15.656 1.00 0.02 H new ATOM 242 N GLN A 16 23.621 3.976 -10.240 1.00 0.02 N ATOM 243 CA GLN A 16 24.980 4.577 -10.087 1.00 0.02 C ATOM 244 C GLN A 16 25.018 5.328 -8.750 1.00 0.02 C ATOM 245 O GLN A 16 23.990 5.578 -8.144 1.00 0.02 O ATOM 246 CB GLN A 16 25.230 5.563 -11.234 1.00 0.02 C ATOM 247 CG GLN A 16 25.615 4.789 -12.498 1.00 0.00 C ATOM 248 CD GLN A 16 27.032 4.232 -12.343 1.00 0.00 C ATOM 249 OE1 GLN A 16 28.000 4.932 -12.565 1.00 0.02 O ATOM 250 NE2 GLN A 16 27.196 2.993 -11.968 1.00 0.02 N ATOM 0 H GLN A 16 22.870 4.654 -10.368 1.00 0.02 H new ATOM 0 HA GLN A 16 25.746 3.802 -10.109 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.335 6.158 -11.418 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.025 6.258 -10.964 1.00 0.02 H new ATOM 0 HG2 GLN A 16 24.910 3.976 -12.668 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.563 5.443 -13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.384 2.405 -11.781 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.136 2.613 -11.861 1.00 0.02 H new ATOM 259 N GLY A 17 26.182 5.690 -8.276 1.00 0.03 N ATOM 260 CA GLY A 17 26.261 6.423 -6.976 1.00 0.03 C ATOM 261 C GLY A 17 26.374 5.436 -5.807 1.00 0.02 C ATOM 262 O GLY A 17 26.603 4.257 -5.993 1.00 0.02 O ATOM 0 H GLY A 17 27.078 5.511 -8.730 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.123 7.091 -6.980 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.376 7.046 -6.849 1.00 0.03 H new ATOM 266 N ARG A 18 26.205 5.913 -4.603 1.00 0.00 N ATOM 267 CA ARG A 18 26.287 5.014 -3.413 1.00 0.02 C ATOM 268 C ARG A 18 25.082 4.070 -3.422 1.00 0.02 C ATOM 269 O ARG A 18 23.991 4.436 -3.817 1.00 0.02 O ATOM 270 CB ARG A 18 26.280 5.867 -2.139 1.00 0.79 C ATOM 271 CG ARG A 18 26.803 5.038 -0.963 1.00 1.49 C ATOM 272 CD ARG A 18 26.598 5.811 0.341 1.00 1.42 C ATOM 273 NE ARG A 18 27.094 7.206 0.172 1.00 2.07 N ATOM 274 CZ ARG A 18 26.762 8.126 1.036 1.00 2.35 C ATOM 275 NH1 ARG A 18 25.993 7.826 2.047 1.00 2.53 N ATOM 276 NH2 ARG A 18 27.200 9.346 0.889 1.00 2.76 N ATOM 0 H ARG A 18 26.013 6.892 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 18 27.205 4.427 -3.444 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.901 6.752 -2.278 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.269 6.217 -1.929 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.280 4.083 -0.917 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.861 4.816 -1.103 1.00 1.49 H new ATOM 0 HD2 ARG A 18 25.542 5.819 0.610 1.00 1.42 H new ATOM 0 HD3 ARG A 18 27.131 5.320 1.155 1.00 1.42 H new ATOM 0 HE ARG A 18 27.693 7.442 -0.619 1.00 2.07 H new ATOM 0 HH11 ARG A 18 25.651 6.872 2.162 1.00 2.53 H new ATOM 0 HH12 ARG A 18 25.734 8.546 2.722 1.00 2.53 H new ATOM 0 HH21 ARG A 18 27.801 9.580 0.099 1.00 2.76 H new ATOM 0 HH22 ARG A 18 26.941 10.066 1.564 1.00 2.76 H new ATOM 290 N ARG A 19 25.287 2.840 -3.011 1.00 0.02 N ATOM 291 CA ARG A 19 24.183 1.830 -3.010 1.00 0.02 C ATOM 292 C ARG A 19 23.974 1.275 -1.597 1.00 0.02 C ATOM 293 O ARG A 19 24.902 1.147 -0.823 1.00 0.02 O ATOM 294 CB ARG A 19 24.595 0.679 -3.937 1.00 0.85 C ATOM 295 CG ARG A 19 23.457 -0.337 -4.083 1.00 1.31 C ATOM 296 CD ARG A 19 23.993 -1.587 -4.785 1.00 1.34 C ATOM 297 NE ARG A 19 22.858 -2.452 -5.211 1.00 1.50 N ATOM 298 CZ ARG A 19 23.053 -3.403 -6.082 1.00 1.63 C ATOM 299 NH1 ARG A 19 24.242 -3.594 -6.587 1.00 1.72 N ATOM 300 NH2 ARG A 19 22.060 -4.165 -6.449 1.00 1.89 N ATOM 0 H ARG A 19 26.183 2.491 -2.673 1.00 0.02 H new ATOM 0 HA ARG A 19 23.257 2.296 -3.348 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.864 1.074 -4.917 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.481 0.185 -3.539 1.00 0.85 H new ATOM 0 HG2 ARG A 19 23.057 -0.598 -3.103 1.00 1.31 H new ATOM 0 HG3 ARG A 19 22.638 0.095 -4.657 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.589 -1.301 -5.651 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.651 -2.139 -4.113 1.00 1.34 H new ATOM 0 HE ARG A 19 21.928 -2.301 -4.821 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.019 -2.999 -6.300 1.00 1.72 H new ATOM 0 HH12 ARG A 19 24.393 -4.338 -7.268 1.00 1.72 H new ATOM 0 HH21 ARG A 19 21.131 -4.017 -6.055 1.00 1.89 H new ATOM 0 HH22 ARG A 19 22.213 -4.909 -7.130 1.00 1.89 H new ATOM 314 N TYR A 20 22.756 0.905 -1.281 1.00 0.02 N ATOM 315 CA TYR A 20 22.462 0.305 0.063 1.00 0.02 C ATOM 316 C TYR A 20 21.547 -0.906 -0.117 1.00 0.02 C ATOM 317 O TYR A 20 20.550 -0.833 -0.803 1.00 0.02 O ATOM 318 CB TYR A 20 21.791 1.319 1.000 1.00 0.02 C ATOM 319 CG TYR A 20 21.971 0.840 2.426 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.217 -0.239 2.905 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.908 1.459 3.259 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.404 -0.697 4.216 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.097 1.000 4.568 1.00 0.02 C ATOM 324 CZ TYR A 20 22.343 -0.076 5.047 1.00 0.02 C ATOM 325 OH TYR A 20 22.526 -0.529 6.338 1.00 0.01 O ATOM 0 H TYR A 20 21.948 0.992 -1.898 1.00 0.02 H new ATOM 0 HA TYR A 20 23.406 0.004 0.516 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.235 2.306 0.872 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.732 1.413 0.762 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.492 -0.718 2.264 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.487 2.293 2.892 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.823 -1.529 4.585 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.825 1.477 5.208 1.00 0.02 H new ATOM 0 HH TYR A 20 23.215 0.010 6.779 1.00 0.01 H new ATOM 335 N ASP A 21 21.868 -2.012 0.503 1.00 0.01 N ATOM 336 CA ASP A 21 21.015 -3.239 0.385 1.00 0.02 C ATOM 337 C ASP A 21 20.315 -3.488 1.724 1.00 0.00 C ATOM 338 O ASP A 21 20.907 -3.366 2.777 1.00 0.01 O ATOM 339 CB ASP A 21 21.914 -4.430 0.050 1.00 0.12 C ATOM 340 CG ASP A 21 22.806 -4.080 -1.143 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.449 -3.043 -1.094 1.00 1.12 O ATOM 342 OD2 ASP A 21 22.832 -4.855 -2.086 1.00 0.56 O ATOM 0 H ASP A 21 22.693 -2.121 1.093 1.00 0.01 H new ATOM 0 HA ASP A 21 20.268 -3.108 -0.398 1.00 0.02 H new ATOM 0 HB2 ASP A 21 22.528 -4.689 0.913 1.00 0.12 H new ATOM 0 HB3 ASP A 21 21.305 -5.304 -0.182 1.00 0.12 H new ATOM 347 N CYS A 22 19.042 -3.820 1.684 1.00 0.01 N ATOM 348 CA CYS A 22 18.270 -4.064 2.949 1.00 0.00 C ATOM 349 C CYS A 22 17.566 -5.420 2.867 1.00 0.02 C ATOM 350 O CYS A 22 17.014 -5.784 1.846 1.00 0.01 O ATOM 351 CB CYS A 22 17.232 -2.951 3.124 1.00 0.00 C ATOM 352 SG CYS A 22 16.705 -2.887 4.854 1.00 0.02 S ATOM 0 H CYS A 22 18.503 -3.933 0.825 1.00 0.01 H new ATOM 0 HA CYS A 22 18.950 -4.067 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.657 -1.992 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.374 -3.134 2.477 1.00 0.00 H new ATOM 0 HG CYS A 22 15.491 -3.341 4.955 1.00 0.02 H new ATOM 358 N ASP A 23 17.589 -6.171 3.943 1.00 0.01 N ATOM 359 CA ASP A 23 16.935 -7.518 3.962 1.00 0.02 C ATOM 360 C ASP A 23 15.818 -7.548 5.013 1.00 0.00 C ATOM 361 O ASP A 23 15.297 -8.596 5.339 1.00 0.02 O ATOM 362 CB ASP A 23 17.986 -8.576 4.308 1.00 0.16 C ATOM 363 CG ASP A 23 18.689 -8.191 5.611 1.00 0.17 C ATOM 364 OD1 ASP A 23 18.188 -8.555 6.663 1.00 0.20 O ATOM 365 OD2 ASP A 23 19.716 -7.536 5.534 1.00 0.17 O ATOM 0 H ASP A 23 18.039 -5.904 4.819 1.00 0.01 H new ATOM 0 HA ASP A 23 16.504 -7.724 2.982 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.513 -9.553 4.412 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.714 -8.659 3.501 1.00 0.16 H new ATOM 370 N CYS A 24 15.435 -6.413 5.543 1.00 0.01 N ATOM 371 CA CYS A 24 14.343 -6.396 6.561 1.00 0.01 C ATOM 372 C CYS A 24 13.751 -4.984 6.631 1.00 0.01 C ATOM 373 O CYS A 24 14.240 -4.070 5.996 1.00 0.01 O ATOM 374 CB CYS A 24 14.910 -6.788 7.928 1.00 0.62 C ATOM 375 SG CYS A 24 13.554 -7.004 9.105 1.00 1.23 S ATOM 0 H CYS A 24 15.831 -5.501 5.315 1.00 0.01 H new ATOM 0 HA CYS A 24 13.565 -7.107 6.282 1.00 0.01 H new ATOM 0 HB2 CYS A 24 15.483 -7.711 7.844 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.595 -6.018 8.284 1.00 0.62 H new ATOM 0 HG CYS A 24 14.036 -7.339 10.265 1.00 1.23 H new ATOM 381 N ASP A 25 12.698 -4.785 7.384 1.00 0.02 N ATOM 382 CA ASP A 25 12.081 -3.427 7.476 1.00 0.01 C ATOM 383 C ASP A 25 13.068 -2.427 8.084 1.00 0.02 C ATOM 384 O ASP A 25 13.844 -2.756 8.959 1.00 0.00 O ATOM 385 CB ASP A 25 10.846 -3.502 8.377 1.00 0.01 C ATOM 386 CG ASP A 25 11.199 -4.244 9.667 1.00 0.01 C ATOM 387 OD1 ASP A 25 12.043 -3.751 10.397 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.620 -5.291 9.903 1.00 0.01 O ATOM 0 H ASP A 25 12.239 -5.506 7.940 1.00 0.02 H new ATOM 0 HA ASP A 25 11.809 -3.097 6.473 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.490 -2.498 8.608 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.036 -4.016 7.859 1.00 0.01 H new ATOM 393 N CYS A 26 13.017 -1.192 7.641 1.00 0.01 N ATOM 394 CA CYS A 26 13.922 -0.134 8.199 1.00 0.01 C ATOM 395 C CYS A 26 13.102 1.142 8.468 1.00 0.01 C ATOM 396 O CYS A 26 12.481 1.694 7.581 1.00 0.01 O ATOM 397 CB CYS A 26 15.056 0.150 7.212 1.00 0.01 C ATOM 398 SG CYS A 26 14.459 1.184 5.850 1.00 0.02 S ATOM 0 H CYS A 26 12.382 -0.869 6.911 1.00 0.01 H new ATOM 0 HA CYS A 26 14.361 -0.477 9.136 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.877 0.651 7.725 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.450 -0.788 6.820 1.00 0.01 H new ATOM 0 HG CYS A 26 15.440 1.901 5.387 1.00 0.02 H new ATOM 404 N ALA A 27 13.054 1.575 9.703 1.00 0.01 N ATOM 405 CA ALA A 27 12.229 2.775 10.058 1.00 0.01 C ATOM 406 C ALA A 27 12.927 4.095 9.690 1.00 0.01 C ATOM 407 O ALA A 27 12.281 5.119 9.571 1.00 0.02 O ATOM 408 CB ALA A 27 11.941 2.760 11.561 1.00 0.24 C ATOM 0 H ALA A 27 13.552 1.149 10.485 1.00 0.01 H new ATOM 0 HA ALA A 27 11.304 2.721 9.484 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.341 3.631 11.825 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.395 1.852 11.818 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.881 2.786 12.112 1.00 0.24 H new ATOM 414 N ASP A 28 14.223 4.103 9.532 1.00 0.01 N ATOM 415 CA ASP A 28 14.921 5.388 9.193 1.00 0.02 C ATOM 416 C ASP A 28 16.205 5.100 8.412 1.00 0.01 C ATOM 417 O ASP A 28 17.178 4.616 8.954 1.00 0.02 O ATOM 418 CB ASP A 28 15.259 6.143 10.482 1.00 0.67 C ATOM 419 CG ASP A 28 14.060 6.092 11.432 1.00 0.90 C ATOM 420 OD1 ASP A 28 13.807 5.031 11.978 1.00 0.87 O ATOM 421 OD2 ASP A 28 13.416 7.114 11.598 1.00 1.14 O ATOM 0 H ASP A 28 14.828 3.287 9.621 1.00 0.01 H new ATOM 0 HA ASP A 28 14.262 5.999 8.576 1.00 0.02 H new ATOM 0 HB2 ASP A 28 16.133 5.698 10.958 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.512 7.178 10.254 1.00 0.67 H new ATOM 426 N PHE A 29 16.205 5.378 7.130 1.00 0.02 N ATOM 427 CA PHE A 29 17.407 5.113 6.273 1.00 0.02 C ATOM 428 C PHE A 29 18.170 6.421 5.998 1.00 0.00 C ATOM 429 O PHE A 29 19.081 6.467 5.196 1.00 0.02 O ATOM 430 CB PHE A 29 16.913 4.493 4.935 1.00 2.87 C ATOM 431 CG PHE A 29 17.441 3.080 4.753 1.00 3.99 C ATOM 432 CD1 PHE A 29 17.326 2.152 5.792 1.00 4.68 C ATOM 433 CD2 PHE A 29 18.035 2.703 3.541 1.00 4.52 C ATOM 434 CE1 PHE A 29 17.803 0.849 5.623 1.00 5.85 C ATOM 435 CE2 PHE A 29 18.513 1.399 3.373 1.00 5.75 C ATOM 436 CZ PHE A 29 18.396 0.473 4.414 1.00 6.37 C ATOM 0 H PHE A 29 15.412 5.783 6.633 1.00 0.02 H new ATOM 0 HA PHE A 29 18.086 4.429 6.782 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.823 4.481 4.918 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.238 5.115 4.101 1.00 2.87 H new ATOM 0 HD1 PHE A 29 16.868 2.442 6.726 1.00 4.68 H new ATOM 0 HD2 PHE A 29 18.124 3.419 2.737 1.00 4.52 H new ATOM 0 HE1 PHE A 29 17.713 0.133 6.426 1.00 5.85 H new ATOM 0 HE2 PHE A 29 18.972 1.108 2.440 1.00 5.75 H new ATOM 0 HZ PHE A 29 18.764 -0.534 4.284 1.00 6.37 H new ATOM 446 N ARG A 30 17.758 7.492 6.617 1.00 0.01 N ATOM 447 CA ARG A 30 18.406 8.808 6.363 1.00 0.00 C ATOM 448 C ARG A 30 19.890 8.805 6.743 1.00 0.01 C ATOM 449 O ARG A 30 20.674 9.531 6.166 1.00 0.02 O ATOM 450 CB ARG A 30 17.697 9.894 7.173 1.00 0.32 C ATOM 451 CG ARG A 30 16.247 10.020 6.702 1.00 0.86 C ATOM 452 CD ARG A 30 15.493 10.976 7.627 1.00 1.62 C ATOM 453 NE ARG A 30 15.561 10.472 9.028 1.00 2.25 N ATOM 454 CZ ARG A 30 15.250 11.257 10.022 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.879 12.486 9.791 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.311 10.813 11.248 1.00 3.02 N ATOM 0 H ARG A 30 16.994 7.512 7.293 1.00 0.01 H new ATOM 0 HA ARG A 30 18.327 9.006 5.294 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.725 9.647 8.234 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.213 10.847 7.053 1.00 0.32 H new ATOM 0 HG2 ARG A 30 16.217 10.389 5.677 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.767 9.042 6.703 1.00 0.86 H new ATOM 0 HD2 ARG A 30 15.927 11.974 7.567 1.00 1.62 H new ATOM 0 HD3 ARG A 30 14.454 11.061 7.310 1.00 1.62 H new ATOM 0 HE ARG A 30 15.851 9.511 9.210 1.00 2.25 H new ATOM 0 HH11 ARG A 30 14.832 12.833 8.833 1.00 3.11 H new ATOM 0 HH12 ARG A 30 14.636 13.100 10.568 1.00 3.11 H new ATOM 0 HH21 ARG A 30 15.602 9.852 11.429 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.068 11.427 12.025 1.00 3.02 H new ATOM 470 N SER A 31 20.297 8.032 7.714 1.00 0.02 N ATOM 471 CA SER A 31 21.735 8.052 8.117 1.00 0.02 C ATOM 472 C SER A 31 22.596 7.273 7.124 1.00 0.01 C ATOM 473 O SER A 31 23.804 7.398 7.111 1.00 0.02 O ATOM 474 CB SER A 31 21.875 7.420 9.502 1.00 0.37 C ATOM 475 OG SER A 31 23.254 7.243 9.804 1.00 0.88 O ATOM 0 H SER A 31 19.703 7.393 8.242 1.00 0.02 H new ATOM 0 HA SER A 31 22.075 9.087 8.132 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.406 8.056 10.253 1.00 0.37 H new ATOM 0 HB3 SER A 31 21.359 6.460 9.530 1.00 0.37 H new ATOM 0 HG SER A 31 23.782 7.330 8.983 1.00 0.88 H new ATOM 481 N TYR A 32 21.989 6.444 6.318 1.00 0.01 N ATOM 482 CA TYR A 32 22.772 5.618 5.344 1.00 0.01 C ATOM 483 C TYR A 32 22.586 6.139 3.920 1.00 0.02 C ATOM 484 O TYR A 32 23.373 5.851 3.039 1.00 0.02 O ATOM 485 CB TYR A 32 22.264 4.182 5.413 1.00 0.02 C ATOM 486 CG TYR A 32 22.394 3.667 6.827 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.630 3.205 7.292 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.278 3.651 7.673 1.00 0.01 C ATOM 489 CE1 TYR A 32 23.751 2.726 8.602 1.00 0.00 C ATOM 490 CE2 TYR A 32 21.399 3.172 8.983 1.00 0.02 C ATOM 491 CZ TYR A 32 22.636 2.710 9.446 1.00 0.02 C ATOM 492 OH TYR A 32 22.754 2.238 10.738 1.00 0.02 O ATOM 0 H TYR A 32 20.980 6.300 6.290 1.00 0.01 H new ATOM 0 HA TYR A 32 23.830 5.671 5.600 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.223 4.138 5.093 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.834 3.551 4.731 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.491 3.218 6.640 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.324 4.008 7.315 1.00 0.01 H new ATOM 0 HE1 TYR A 32 24.705 2.369 8.961 1.00 0.00 H new ATOM 0 HE2 TYR A 32 20.538 3.159 9.635 1.00 0.02 H new ATOM 0 HH TYR A 32 21.886 2.298 11.189 1.00 0.02 H new ATOM 502 N LEU A 33 21.538 6.873 3.670 1.00 0.02 N ATOM 503 CA LEU A 33 21.290 7.371 2.282 1.00 0.02 C ATOM 504 C LEU A 33 20.567 8.721 2.340 1.00 0.02 C ATOM 505 O LEU A 33 19.555 8.872 2.996 1.00 0.02 O ATOM 506 CB LEU A 33 20.381 6.351 1.569 1.00 1.66 C ATOM 507 CG LEU A 33 20.583 6.429 0.040 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.793 5.584 -0.383 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.334 5.899 -0.672 1.00 2.80 C ATOM 0 H LEU A 33 20.842 7.151 4.362 1.00 0.02 H new ATOM 0 HA LEU A 33 22.234 7.491 1.751 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.606 5.344 1.921 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.338 6.549 1.815 1.00 1.66 H new ATOM 0 HG LEU A 33 20.756 7.469 -0.235 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.922 5.649 -1.463 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.689 5.958 0.113 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.628 4.545 -0.099 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.479 5.955 -1.751 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.162 4.862 -0.382 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.471 6.502 -0.390 1.00 2.80 H new ATOM 521 N SER A 34 21.102 9.709 1.668 1.00 0.02 N ATOM 522 CA SER A 34 20.481 11.065 1.686 1.00 0.02 C ATOM 523 C SER A 34 19.409 11.193 0.600 1.00 0.00 C ATOM 524 O SER A 34 18.639 12.132 0.592 1.00 0.01 O ATOM 525 CB SER A 34 21.563 12.117 1.448 1.00 0.02 C ATOM 526 OG SER A 34 21.002 13.411 1.609 1.00 0.02 O ATOM 0 H SER A 34 21.948 9.632 1.104 1.00 0.02 H new ATOM 0 HA SER A 34 20.011 11.217 2.658 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.385 11.975 2.149 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.977 12.010 0.445 1.00 0.02 H new ATOM 0 HG SER A 34 20.063 13.398 1.328 1.00 0.02 H new ATOM 532 N ARG A 35 19.344 10.265 -0.322 1.00 0.02 N ATOM 533 CA ARG A 35 18.323 10.342 -1.406 1.00 0.01 C ATOM 534 C ARG A 35 18.375 9.040 -2.216 1.00 0.02 C ATOM 535 O ARG A 35 19.347 8.312 -2.171 1.00 0.02 O ATOM 536 CB ARG A 35 18.629 11.527 -2.324 1.00 0.02 C ATOM 537 CG ARG A 35 20.042 11.377 -2.893 1.00 0.02 C ATOM 538 CD ARG A 35 20.447 12.671 -3.597 1.00 0.02 C ATOM 539 NE ARG A 35 21.735 12.464 -4.316 1.00 0.02 N ATOM 540 CZ ARG A 35 22.122 13.322 -5.222 1.00 0.02 C ATOM 541 NH1 ARG A 35 21.381 14.360 -5.495 1.00 0.00 N ATOM 542 NH2 ARG A 35 23.249 13.142 -5.853 1.00 0.02 N ATOM 0 H ARG A 35 19.960 9.453 -0.369 1.00 0.02 H new ATOM 0 HA ARG A 35 17.332 10.478 -0.973 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.901 11.571 -3.134 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.545 12.462 -1.770 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.746 11.150 -2.092 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.077 10.543 -3.594 1.00 0.02 H new ATOM 0 HD2 ARG A 35 19.671 12.973 -4.300 1.00 0.02 H new ATOM 0 HD3 ARG A 35 20.550 13.476 -2.870 1.00 0.02 H new ATOM 0 HE ARG A 35 22.315 11.653 -4.101 1.00 0.02 H new ATOM 0 HH11 ARG A 35 20.500 14.502 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.683 15.030 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 35 23.829 12.331 -5.639 1.00 0.02 H new ATOM 0 HH22 ARG A 35 23.550 13.812 -6.560 1.00 0.02 H new ATOM 556 N CYS A 36 17.344 8.745 -2.965 1.00 0.02 N ATOM 557 CA CYS A 36 17.331 7.496 -3.792 1.00 0.02 C ATOM 558 C CYS A 36 16.619 7.786 -5.116 1.00 0.02 C ATOM 559 O CYS A 36 15.451 8.123 -5.114 1.00 0.02 O ATOM 560 CB CYS A 36 16.565 6.408 -3.041 1.00 0.02 C ATOM 561 SG CYS A 36 15.053 7.126 -2.355 1.00 0.02 S ATOM 0 H CYS A 36 16.504 9.318 -3.041 1.00 0.02 H new ATOM 0 HA CYS A 36 18.352 7.164 -3.983 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.321 5.586 -3.714 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.182 5.995 -2.243 1.00 0.02 H new ATOM 0 HG CYS A 36 14.494 7.892 -3.244 1.00 0.02 H new ATOM 567 N ASN A 37 17.293 7.693 -6.245 1.00 0.02 N ATOM 568 CA ASN A 37 16.613 8.010 -7.549 1.00 0.01 C ATOM 569 C ASN A 37 16.364 6.741 -8.369 1.00 0.02 C ATOM 570 O ASN A 37 15.795 6.780 -9.441 1.00 0.02 O ATOM 571 CB ASN A 37 17.486 8.968 -8.363 1.00 0.02 C ATOM 572 CG ASN A 37 17.591 10.309 -7.635 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.009 11.291 -8.055 1.00 0.03 O ATOM 574 ND2 ASN A 37 18.317 10.395 -6.554 1.00 0.02 N ATOM 0 H ASN A 37 18.272 7.415 -6.320 1.00 0.02 H new ATOM 0 HA ASN A 37 15.652 8.472 -7.325 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.479 8.541 -8.504 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.057 9.113 -9.355 1.00 0.02 H new ATOM 0 HD21 ASN A 37 18.396 11.285 -6.062 1.00 0.02 H new ATOM 0 HD22 ASN A 37 18.805 9.572 -6.201 1.00 0.02 H new ATOM 581 N SER A 38 16.758 5.608 -7.850 1.00 0.02 N ATOM 582 CA SER A 38 16.529 4.319 -8.564 1.00 0.02 C ATOM 583 C SER A 38 16.534 3.198 -7.526 1.00 0.01 C ATOM 584 O SER A 38 17.116 3.326 -6.466 1.00 0.02 O ATOM 585 CB SER A 38 17.627 4.078 -9.602 1.00 0.01 C ATOM 586 OG SER A 38 17.547 2.736 -10.065 1.00 0.02 O ATOM 0 H SER A 38 17.234 5.521 -6.952 1.00 0.02 H new ATOM 0 HA SER A 38 15.574 4.348 -9.088 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.514 4.770 -10.436 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.607 4.266 -9.163 1.00 0.01 H new ATOM 0 HG SER A 38 16.711 2.610 -10.560 1.00 0.02 H new ATOM 592 N ILE A 39 15.872 2.104 -7.805 1.00 0.02 N ATOM 593 CA ILE A 39 15.819 0.987 -6.809 1.00 0.02 C ATOM 594 C ILE A 39 15.768 -0.367 -7.522 1.00 0.02 C ATOM 595 O ILE A 39 15.179 -0.519 -8.576 1.00 0.02 O ATOM 596 CB ILE A 39 14.548 1.136 -5.963 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.383 2.596 -5.535 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.654 0.248 -4.722 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.202 2.716 -4.572 1.00 0.00 C ATOM 0 H ILE A 39 15.367 1.935 -8.675 1.00 0.02 H new ATOM 0 HA ILE A 39 16.711 1.032 -6.184 1.00 0.02 H new ATOM 0 HB ILE A 39 13.683 0.833 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.295 2.950 -5.054 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.218 3.226 -6.409 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.751 0.354 -4.121 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.767 -0.792 -5.027 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.520 0.549 -4.132 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.085 3.756 -4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.292 2.379 -5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.386 2.099 -3.692 1.00 0.00 H new ATOM 611 N ARG A 40 16.344 -1.371 -6.904 1.00 0.02 N ATOM 612 CA ARG A 40 16.307 -2.754 -7.471 1.00 0.02 C ATOM 613 C ARG A 40 15.691 -3.684 -6.423 1.00 0.01 C ATOM 614 O ARG A 40 16.182 -3.788 -5.318 1.00 0.02 O ATOM 615 CB ARG A 40 17.714 -3.251 -7.813 1.00 0.01 C ATOM 616 CG ARG A 40 17.627 -4.641 -8.444 1.00 0.02 C ATOM 617 CD ARG A 40 19.007 -5.064 -8.949 1.00 0.02 C ATOM 618 NE ARG A 40 19.409 -4.190 -10.088 1.00 0.02 N ATOM 619 CZ ARG A 40 20.651 -4.167 -10.485 1.00 0.02 C ATOM 620 NH1 ARG A 40 21.544 -4.905 -9.883 1.00 0.02 N ATOM 621 NH2 ARG A 40 21.003 -3.402 -11.482 1.00 0.02 N ATOM 0 H ARG A 40 16.844 -1.288 -6.019 1.00 0.02 H new ATOM 0 HA ARG A 40 15.717 -2.746 -8.387 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.198 -2.558 -8.501 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.327 -3.287 -6.912 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.260 -5.361 -7.712 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.914 -4.633 -9.268 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.739 -4.990 -8.144 1.00 0.02 H new ATOM 0 HD3 ARG A 40 18.986 -6.107 -9.266 1.00 0.02 H new ATOM 0 HE ARG A 40 18.713 -3.610 -10.557 1.00 0.02 H new ATOM 0 HH11 ARG A 40 21.271 -5.500 -9.101 1.00 0.02 H new ATOM 0 HH12 ARG A 40 22.515 -4.886 -10.194 1.00 0.02 H new ATOM 0 HH21 ARG A 40 20.307 -2.822 -11.951 1.00 0.02 H new ATOM 0 HH22 ARG A 40 21.974 -3.384 -11.793 1.00 0.02 H new ATOM 635 N VAL A 41 14.652 -4.397 -6.773 1.00 0.02 N ATOM 636 CA VAL A 41 14.040 -5.368 -5.813 1.00 0.01 C ATOM 637 C VAL A 41 14.425 -6.765 -6.294 1.00 0.02 C ATOM 638 O VAL A 41 14.045 -7.182 -7.370 1.00 0.02 O ATOM 639 CB VAL A 41 12.522 -5.199 -5.784 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.933 -6.111 -4.706 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.192 -3.746 -5.437 1.00 0.00 C ATOM 0 H VAL A 41 14.198 -4.349 -7.685 1.00 0.02 H new ATOM 0 HA VAL A 41 14.400 -5.200 -4.798 1.00 0.01 H new ATOM 0 HB VAL A 41 12.103 -5.458 -6.756 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.850 -5.993 -4.682 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.180 -7.148 -4.932 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.349 -5.842 -3.735 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.110 -3.614 -5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.609 -3.502 -4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.622 -3.085 -6.190 1.00 0.00 H new ATOM 651 N GLU A 42 15.210 -7.469 -5.523 1.00 0.01 N ATOM 652 CA GLU A 42 15.665 -8.823 -5.951 1.00 0.01 C ATOM 653 C GLU A 42 14.617 -9.876 -5.606 1.00 0.02 C ATOM 654 O GLU A 42 14.447 -10.843 -6.322 1.00 0.01 O ATOM 655 CB GLU A 42 16.983 -9.164 -5.253 1.00 0.99 C ATOM 656 CG GLU A 42 17.631 -10.368 -5.943 1.00 1.86 C ATOM 657 CD GLU A 42 18.935 -10.727 -5.227 1.00 3.10 C ATOM 658 OE1 GLU A 42 18.871 -11.460 -4.254 1.00 3.81 O ATOM 659 OE2 GLU A 42 19.975 -10.267 -5.665 1.00 3.67 O ATOM 0 H GLU A 42 15.556 -7.164 -4.613 1.00 0.01 H new ATOM 0 HA GLU A 42 15.811 -8.817 -7.031 1.00 0.01 H new ATOM 0 HB2 GLU A 42 17.656 -8.307 -5.286 1.00 0.99 H new ATOM 0 HB3 GLU A 42 16.803 -9.388 -4.202 1.00 0.99 H new ATOM 0 HG2 GLU A 42 16.950 -11.219 -5.928 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.830 -10.137 -6.989 1.00 1.86 H new ATOM 666 N GLY A 43 13.914 -9.717 -4.521 1.00 0.01 N ATOM 667 CA GLY A 43 12.896 -10.740 -4.165 1.00 0.02 C ATOM 668 C GLY A 43 11.923 -10.193 -3.124 1.00 0.02 C ATOM 669 O GLY A 43 12.279 -9.359 -2.311 1.00 0.02 O ATOM 0 H GLY A 43 13.998 -8.934 -3.873 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.349 -11.042 -5.058 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.389 -11.631 -3.776 1.00 0.02 H new ATOM 673 N GLY A 44 10.710 -10.674 -3.124 1.00 0.00 N ATOM 674 CA GLY A 44 9.720 -10.197 -2.115 1.00 0.01 C ATOM 675 C GLY A 44 9.038 -8.914 -2.598 1.00 0.01 C ATOM 676 O GLY A 44 9.429 -8.317 -3.581 1.00 0.01 O ATOM 0 H GLY A 44 10.361 -11.375 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.971 -10.969 -1.938 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.220 -10.014 -1.164 1.00 0.01 H new ATOM 680 N THR A 45 8.037 -8.475 -1.875 1.00 0.01 N ATOM 681 CA THR A 45 7.318 -7.207 -2.227 1.00 0.00 C ATOM 682 C THR A 45 7.503 -6.234 -1.063 1.00 0.01 C ATOM 683 O THR A 45 7.415 -6.625 0.081 1.00 0.01 O ATOM 684 CB THR A 45 5.826 -7.517 -2.418 1.00 0.73 C ATOM 685 OG1 THR A 45 5.656 -8.300 -3.590 1.00 0.88 O ATOM 686 CG2 THR A 45 5.026 -6.218 -2.552 1.00 1.48 C ATOM 0 H THR A 45 7.681 -8.947 -1.044 1.00 0.01 H new ATOM 0 HA THR A 45 7.710 -6.773 -3.147 1.00 0.00 H new ATOM 0 HB THR A 45 5.463 -8.066 -1.549 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.705 -8.501 -3.714 1.00 0.88 H new ATOM 0 HG21 THR A 45 3.970 -6.453 -2.687 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.152 -5.618 -1.650 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.386 -5.657 -3.414 1.00 1.48 H new ATOM 694 N TRP A 46 7.837 -4.988 -1.323 1.00 0.02 N ATOM 695 CA TRP A 46 8.103 -4.031 -0.194 1.00 0.01 C ATOM 696 C TRP A 46 7.264 -2.756 -0.307 1.00 0.01 C ATOM 697 O TRP A 46 6.887 -2.314 -1.374 1.00 0.01 O ATOM 698 CB TRP A 46 9.582 -3.641 -0.218 1.00 0.00 C ATOM 699 CG TRP A 46 10.420 -4.851 0.034 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.555 -5.894 -0.818 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.240 -5.162 1.197 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.407 -6.825 -0.250 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.854 -6.420 0.992 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.505 -4.481 2.399 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.703 -6.983 1.945 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.359 -5.045 3.361 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.957 -6.293 3.133 1.00 0.01 C ATOM 0 H TRP A 46 7.936 -4.595 -2.259 1.00 0.02 H new ATOM 0 HA TRP A 46 7.835 -4.531 0.737 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.838 -3.203 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.782 -2.883 0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.077 -5.985 -1.782 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.672 -7.704 -0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.049 -3.519 2.583 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.160 -7.945 1.766 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.556 -4.515 4.281 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.614 -6.721 3.876 1.00 0.01 H new ATOM 718 N ALA A 47 7.036 -2.138 0.822 1.00 0.01 N ATOM 719 CA ALA A 47 6.300 -0.842 0.878 1.00 0.01 C ATOM 720 C ALA A 47 7.346 0.207 1.251 1.00 0.01 C ATOM 721 O ALA A 47 8.124 0.011 2.163 1.00 0.01 O ATOM 722 CB ALA A 47 5.198 -0.907 1.942 1.00 0.24 C ATOM 0 H ALA A 47 7.338 -2.488 1.731 1.00 0.01 H new ATOM 0 HA ALA A 47 5.816 -0.606 -0.070 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.667 0.044 1.974 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.498 -1.705 1.693 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.644 -1.107 2.916 1.00 0.24 H new ATOM 728 N VAL A 48 7.359 1.325 0.566 1.00 0.01 N ATOM 729 CA VAL A 48 8.345 2.408 0.889 1.00 0.02 C ATOM 730 C VAL A 48 7.597 3.656 1.346 1.00 0.01 C ATOM 731 O VAL A 48 6.543 3.973 0.829 1.00 0.01 O ATOM 732 CB VAL A 48 9.190 2.736 -0.343 1.00 0.09 C ATOM 733 CG1 VAL A 48 10.027 1.513 -0.723 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.271 3.107 -1.509 1.00 0.65 C ATOM 0 H VAL A 48 6.727 1.536 -0.206 1.00 0.01 H new ATOM 0 HA VAL A 48 9.004 2.064 1.687 1.00 0.02 H new ATOM 0 HB VAL A 48 9.849 3.575 -0.120 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.630 1.744 -1.601 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.681 1.248 0.107 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.366 0.675 -0.947 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.873 3.341 -2.387 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.612 2.268 -1.734 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.672 3.976 -1.238 1.00 0.65 H new ATOM 744 N TYR A 49 8.133 4.370 2.312 1.00 0.01 N ATOM 745 CA TYR A 49 7.456 5.607 2.816 1.00 0.01 C ATOM 746 C TYR A 49 8.381 6.809 2.631 1.00 0.01 C ATOM 747 O TYR A 49 9.590 6.720 2.756 1.00 0.02 O ATOM 748 CB TYR A 49 7.123 5.432 4.299 1.00 0.01 C ATOM 749 CG TYR A 49 5.958 4.480 4.443 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.127 3.121 4.149 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.710 4.954 4.872 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.050 2.237 4.282 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.634 4.068 5.003 1.00 0.01 C ATOM 754 CZ TYR A 49 3.804 2.710 4.709 1.00 0.02 C ATOM 755 OH TYR A 49 2.741 1.838 4.838 1.00 0.01 O ATOM 0 H TYR A 49 9.015 4.146 2.773 1.00 0.01 H new ATOM 0 HA TYR A 49 6.536 5.775 2.256 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.990 5.046 4.835 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.876 6.396 4.744 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.088 2.755 3.820 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.579 6.001 5.101 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.181 1.189 4.055 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.672 4.433 5.331 1.00 0.01 H new ATOM 0 HH TYR A 49 1.951 2.329 5.145 1.00 0.01 H new ATOM 765 N GLU A 50 7.794 7.926 2.290 1.00 0.01 N ATOM 766 CA GLU A 50 8.575 9.167 2.022 1.00 0.01 C ATOM 767 C GLU A 50 9.283 9.674 3.278 1.00 0.01 C ATOM 768 O GLU A 50 10.352 10.247 3.188 1.00 0.02 O ATOM 769 CB GLU A 50 7.608 10.244 1.524 1.00 0.02 C ATOM 770 CG GLU A 50 8.405 11.447 1.015 1.00 0.01 C ATOM 771 CD GLU A 50 7.452 12.460 0.375 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.432 12.745 0.980 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.761 12.933 -0.707 1.00 0.01 O ATOM 0 H GLU A 50 6.785 8.031 2.184 1.00 0.01 H new ATOM 0 HA GLU A 50 9.338 8.943 1.277 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.982 9.845 0.726 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.941 10.550 2.330 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.947 11.912 1.839 1.00 0.01 H new ATOM 0 HG3 GLU A 50 9.149 11.122 0.287 1.00 0.01 H new ATOM 780 N ARG A 51 8.703 9.503 4.445 1.00 0.02 N ATOM 781 CA ARG A 51 9.359 10.018 5.696 1.00 0.02 C ATOM 782 C ARG A 51 9.527 8.860 6.702 1.00 0.01 C ATOM 783 O ARG A 51 8.823 7.867 6.624 1.00 0.02 O ATOM 784 CB ARG A 51 8.445 11.112 6.297 1.00 0.02 C ATOM 785 CG ARG A 51 8.892 12.502 5.824 1.00 0.01 C ATOM 786 CD ARG A 51 7.890 13.552 6.309 1.00 0.02 C ATOM 787 NE ARG A 51 6.533 13.221 5.786 1.00 0.02 N ATOM 788 CZ ARG A 51 5.481 13.794 6.300 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.617 14.657 7.270 1.00 0.02 N ATOM 790 NH2 ARG A 51 4.293 13.503 5.848 1.00 0.01 N ATOM 0 H ARG A 51 7.809 9.032 4.587 1.00 0.02 H new ATOM 0 HA ARG A 51 10.343 10.431 5.473 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.411 10.935 6.000 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.477 11.064 7.385 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.886 12.727 6.210 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.960 12.523 4.736 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.875 13.580 7.399 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.191 14.543 5.969 1.00 0.02 H new ATOM 0 HE ARG A 51 6.428 12.547 5.027 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.546 14.883 7.625 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.794 15.106 7.673 1.00 0.02 H new ATOM 0 HH21 ARG A 51 4.187 12.827 5.092 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.470 13.952 6.251 1.00 0.01 H new ATOM 804 N PRO A 52 10.455 8.988 7.640 1.00 0.02 N ATOM 805 CA PRO A 52 10.698 7.917 8.652 1.00 0.02 C ATOM 806 C PRO A 52 9.422 7.501 9.391 1.00 0.01 C ATOM 807 O PRO A 52 8.406 8.168 9.359 1.00 0.02 O ATOM 808 CB PRO A 52 11.721 8.576 9.608 1.00 0.02 C ATOM 809 CG PRO A 52 11.947 10.030 9.152 1.00 0.01 C ATOM 810 CD PRO A 52 11.324 10.198 7.760 1.00 0.01 C ATOM 0 HA PRO A 52 11.054 6.990 8.203 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.351 8.553 10.633 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.661 8.024 9.596 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.493 10.725 9.858 1.00 0.01 H new ATOM 0 HG3 PRO A 52 13.013 10.258 9.122 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.747 11.120 7.683 1.00 0.01 H new ATOM 0 HD3 PRO A 52 12.083 10.231 6.978 1.00 0.01 H new ATOM 818 N ASN A 53 9.511 6.398 10.082 1.00 0.02 N ATOM 819 CA ASN A 53 8.362 5.895 10.880 1.00 0.02 C ATOM 820 C ASN A 53 7.179 5.544 9.977 1.00 0.01 C ATOM 821 O ASN A 53 6.030 5.718 10.334 1.00 0.01 O ATOM 822 CB ASN A 53 7.950 6.967 11.895 1.00 0.01 C ATOM 823 CG ASN A 53 9.202 7.623 12.478 1.00 0.02 C ATOM 824 OD1 ASN A 53 9.323 8.832 12.483 1.00 0.02 O ATOM 825 ND2 ASN A 53 10.147 6.871 12.970 1.00 0.01 N ATOM 0 H ASN A 53 10.347 5.815 10.127 1.00 0.02 H new ATOM 0 HA ASN A 53 8.665 4.987 11.402 1.00 0.02 H new ATOM 0 HB2 ASN A 53 7.324 7.718 11.413 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.356 6.520 12.692 1.00 0.01 H new ATOM 0 HD21 ASN A 53 10.988 7.298 13.359 1.00 0.01 H new ATOM 0 HD22 ASN A 53 10.045 5.856 12.966 1.00 0.01 H new ATOM 832 N PHE A 54 7.463 5.020 8.815 1.00 0.02 N ATOM 833 CA PHE A 54 6.382 4.614 7.874 1.00 0.01 C ATOM 834 C PHE A 54 5.309 5.703 7.778 1.00 0.01 C ATOM 835 O PHE A 54 4.129 5.448 7.926 1.00 0.02 O ATOM 836 CB PHE A 54 5.762 3.301 8.366 1.00 1.78 C ATOM 837 CG PHE A 54 6.840 2.427 8.975 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.872 1.929 8.170 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.808 2.113 10.342 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.871 1.122 8.730 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.807 1.308 10.902 1.00 3.32 C ATOM 842 CZ PHE A 54 8.838 0.812 10.096 1.00 3.39 C ATOM 0 H PHE A 54 8.410 4.854 8.475 1.00 0.02 H new ATOM 0 HA PHE A 54 6.806 4.472 6.880 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.987 3.507 9.104 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.283 2.780 7.537 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.898 2.167 7.117 1.00 2.53 H new ATOM 0 HD2 PHE A 54 6.011 2.493 10.964 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.667 0.739 8.109 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.782 1.070 11.955 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.609 0.190 10.527 1.00 3.39 H new ATOM 852 N SER A 55 5.732 6.919 7.525 1.00 0.02 N ATOM 853 CA SER A 55 4.769 8.063 7.406 1.00 0.02 C ATOM 854 C SER A 55 4.974 8.781 6.071 1.00 0.01 C ATOM 855 O SER A 55 5.978 8.605 5.407 1.00 0.01 O ATOM 856 CB SER A 55 5.017 9.049 8.549 1.00 1.90 C ATOM 857 OG SER A 55 6.227 9.755 8.307 1.00 2.33 O ATOM 0 H SER A 55 6.712 7.171 7.395 1.00 0.02 H new ATOM 0 HA SER A 55 3.749 7.681 7.456 1.00 0.02 H new ATOM 0 HB2 SER A 55 4.184 9.748 8.628 1.00 1.90 H new ATOM 0 HB3 SER A 55 5.077 8.516 9.498 1.00 1.90 H new ATOM 0 HG SER A 55 6.981 9.246 8.670 1.00 2.33 H new ATOM 863 N GLY A 56 4.021 9.582 5.662 1.00 0.02 N ATOM 864 CA GLY A 56 4.145 10.306 4.361 1.00 0.02 C ATOM 865 C GLY A 56 3.585 9.439 3.226 1.00 0.02 C ATOM 866 O GLY A 56 2.825 8.520 3.458 1.00 0.00 O ATOM 0 H GLY A 56 3.159 9.766 6.176 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.605 11.252 4.408 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.190 10.545 4.166 1.00 0.02 H new ATOM 870 N HIS A 57 3.933 9.733 2.001 1.00 0.02 N ATOM 871 CA HIS A 57 3.395 8.936 0.858 1.00 0.02 C ATOM 872 C HIS A 57 3.888 7.490 0.945 1.00 0.01 C ATOM 873 O HIS A 57 5.035 7.242 1.252 1.00 0.01 O ATOM 874 CB HIS A 57 3.868 9.555 -0.458 1.00 0.00 C ATOM 875 CG HIS A 57 3.692 11.048 -0.400 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.716 11.926 -0.721 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.619 11.832 -0.055 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.242 13.176 -0.562 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.968 13.175 -0.157 1.00 0.01 N ATOM 0 H HIS A 57 4.566 10.490 1.742 1.00 0.02 H new ATOM 0 HA HIS A 57 2.306 8.943 0.900 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.915 9.308 -0.633 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.299 9.143 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.651 11.462 0.249 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.820 14.070 -0.740 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.378 13.985 0.036 1.00 0.01 H new ATOM 887 N MET A 58 3.022 6.537 0.664 1.00 0.02 N ATOM 888 CA MET A 58 3.421 5.091 0.716 1.00 0.02 C ATOM 889 C MET A 58 3.247 4.457 -0.672 1.00 0.01 C ATOM 890 O MET A 58 2.271 4.691 -1.357 1.00 0.01 O ATOM 891 CB MET A 58 2.530 4.359 1.728 1.00 2.61 C ATOM 892 CG MET A 58 1.057 4.451 1.301 1.00 3.46 C ATOM 893 SD MET A 58 0.680 3.112 0.142 1.00 4.50 S ATOM 894 CE MET A 58 0.139 1.891 1.364 1.00 5.01 C ATOM 0 H MET A 58 2.051 6.703 0.400 1.00 0.02 H new ATOM 0 HA MET A 58 4.465 5.011 1.019 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.831 3.314 1.800 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.657 4.796 2.719 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.409 4.383 2.175 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.862 5.416 0.834 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.146 0.969 0.856 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.954 1.686 2.059 1.00 5.01 H new ATOM 0 HE3 MET A 58 -0.717 2.281 1.914 1.00 5.01 H new ATOM 904 N TYR A 59 4.200 3.660 -1.090 1.00 0.02 N ATOM 905 CA TYR A 59 4.123 2.997 -2.435 1.00 0.01 C ATOM 906 C TYR A 59 4.520 1.520 -2.309 1.00 0.01 C ATOM 907 O TYR A 59 5.450 1.169 -1.610 1.00 0.02 O ATOM 908 CB TYR A 59 5.086 3.682 -3.401 1.00 0.01 C ATOM 909 CG TYR A 59 4.578 5.067 -3.724 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.653 5.250 -4.759 1.00 0.01 C ATOM 911 CD2 TYR A 59 5.032 6.171 -2.991 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.185 6.533 -5.060 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.564 7.454 -3.292 1.00 0.01 C ATOM 914 CZ TYR A 59 3.640 7.636 -4.327 1.00 0.01 C ATOM 915 OH TYR A 59 3.177 8.902 -4.626 1.00 0.01 O ATOM 0 H TYR A 59 5.038 3.437 -0.553 1.00 0.02 H new ATOM 0 HA TYR A 59 3.102 3.075 -2.809 1.00 0.01 H new ATOM 0 HB2 TYR A 59 6.080 3.742 -2.958 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.179 3.095 -4.315 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.301 4.400 -5.325 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.745 6.031 -2.192 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.472 6.673 -5.859 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.916 8.304 -2.726 1.00 0.01 H new ATOM 0 HH TYR A 59 2.346 9.071 -4.134 1.00 0.01 H new ATOM 925 N ILE A 60 3.814 0.656 -2.998 1.00 0.02 N ATOM 926 CA ILE A 60 4.123 -0.809 -2.955 1.00 0.01 C ATOM 927 C ILE A 60 5.006 -1.162 -4.161 1.00 0.01 C ATOM 928 O ILE A 60 4.713 -0.780 -5.276 1.00 0.01 O ATOM 929 CB ILE A 60 2.817 -1.618 -3.036 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.768 -1.074 -2.038 1.00 1.35 C ATOM 931 CG2 ILE A 60 3.108 -3.091 -2.735 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.089 -1.507 -0.598 1.00 1.72 C ATOM 0 H ILE A 60 3.027 0.907 -3.596 1.00 0.02 H new ATOM 0 HA ILE A 60 4.639 -1.048 -2.025 1.00 0.01 H new ATOM 0 HB ILE A 60 2.411 -1.523 -4.043 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.739 0.014 -2.095 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.778 -1.434 -2.316 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.182 -3.664 -2.792 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.820 -3.478 -3.464 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.529 -3.181 -1.734 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.333 -1.109 0.079 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.093 -2.595 -0.538 1.00 1.72 H new ATOM 0 HD13 ILE A 60 3.069 -1.124 -0.313 1.00 1.72 H new ATOM 944 N LEU A 61 6.097 -1.868 -3.943 1.00 0.01 N ATOM 945 CA LEU A 61 7.020 -2.225 -5.077 1.00 0.01 C ATOM 946 C LEU A 61 7.178 -3.766 -5.194 1.00 0.01 C ATOM 947 O LEU A 61 7.792 -4.379 -4.340 1.00 0.00 O ATOM 948 CB LEU A 61 8.406 -1.597 -4.791 1.00 0.01 C ATOM 949 CG LEU A 61 8.539 -0.218 -5.469 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.850 0.435 -5.015 1.00 0.01 C ATOM 951 CD2 LEU A 61 8.540 -0.367 -7.009 1.00 0.01 C ATOM 0 H LEU A 61 6.388 -2.213 -3.028 1.00 0.01 H new ATOM 0 HA LEU A 61 6.605 -1.847 -6.011 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.547 -1.492 -3.715 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.191 -2.261 -5.152 1.00 0.01 H new ATOM 0 HG LEU A 61 7.691 0.404 -5.183 1.00 0.02 H new ATOM 0 HD11 LEU A 61 9.954 1.411 -5.489 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.840 0.557 -3.932 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.690 -0.198 -5.301 1.00 0.01 H new ATOM 0 HD21 LEU A 61 8.635 0.616 -7.470 1.00 0.01 H new ATOM 0 HD22 LEU A 61 9.379 -0.993 -7.313 1.00 0.01 H new ATOM 0 HD23 LEU A 61 7.607 -0.830 -7.330 1.00 0.01 H new ATOM 963 N PRO A 62 6.676 -4.406 -6.247 1.00 0.02 N ATOM 964 CA PRO A 62 6.870 -5.876 -6.401 1.00 0.01 C ATOM 965 C PRO A 62 8.295 -6.178 -6.898 1.00 0.00 C ATOM 966 O PRO A 62 9.027 -5.283 -7.274 1.00 0.02 O ATOM 967 CB PRO A 62 5.813 -6.238 -7.457 1.00 1.47 C ATOM 968 CG PRO A 62 5.411 -4.942 -8.182 1.00 1.29 C ATOM 969 CD PRO A 62 5.888 -3.747 -7.333 1.00 0.82 C ATOM 0 HA PRO A 62 6.760 -6.442 -5.476 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.213 -6.964 -8.165 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.944 -6.698 -6.986 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.860 -4.907 -9.174 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.330 -4.903 -8.320 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.499 -3.056 -7.914 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.051 -3.174 -6.935 1.00 0.82 H new ATOM 977 N GLN A 63 8.697 -7.421 -6.899 1.00 0.02 N ATOM 978 CA GLN A 63 10.075 -7.763 -7.366 1.00 0.00 C ATOM 979 C GLN A 63 10.332 -7.168 -8.755 1.00 0.00 C ATOM 980 O GLN A 63 9.462 -7.167 -9.604 1.00 0.02 O ATOM 981 CB GLN A 63 10.215 -9.284 -7.439 1.00 1.27 C ATOM 982 CG GLN A 63 9.173 -9.846 -8.407 1.00 1.67 C ATOM 983 CD GLN A 63 9.174 -11.374 -8.328 1.00 2.43 C ATOM 984 OE1 GLN A 63 10.207 -11.983 -8.137 1.00 4.25 O ATOM 985 NE2 GLN A 63 8.052 -12.023 -8.469 1.00 3.04 N ATOM 0 H GLN A 63 8.132 -8.215 -6.597 1.00 0.02 H new ATOM 0 HA GLN A 63 10.800 -7.350 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.218 -9.552 -7.772 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.080 -9.720 -6.449 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.185 -9.459 -8.159 1.00 1.67 H new ATOM 0 HG3 GLN A 63 9.395 -9.524 -9.424 1.00 1.67 H new ATOM 0 HE21 GLN A 63 7.184 -11.512 -8.629 1.00 3.04 H new ATOM 0 HE22 GLN A 63 8.042 -13.042 -8.419 1.00 3.04 H new ATOM 994 N GLY A 64 11.520 -6.670 -9.006 1.00 0.02 N ATOM 995 CA GLY A 64 11.804 -6.092 -10.354 1.00 0.01 C ATOM 996 C GLY A 64 12.927 -5.051 -10.274 1.00 0.02 C ATOM 997 O GLY A 64 13.501 -4.810 -9.232 1.00 0.02 O ATOM 0 H GLY A 64 12.295 -6.640 -8.344 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.088 -6.887 -11.043 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.901 -5.630 -10.754 1.00 0.01 H new ATOM 1001 N GLU A 65 13.245 -4.435 -11.388 1.00 0.02 N ATOM 1002 CA GLU A 65 14.334 -3.404 -11.423 1.00 0.02 C ATOM 1003 C GLU A 65 13.759 -2.063 -11.887 1.00 0.02 C ATOM 1004 O GLU A 65 13.069 -1.979 -12.883 1.00 0.02 O ATOM 1005 CB GLU A 65 15.409 -3.855 -12.414 1.00 0.77 C ATOM 1006 CG GLU A 65 16.630 -2.942 -12.296 1.00 0.49 C ATOM 1007 CD GLU A 65 17.692 -3.374 -13.309 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.427 -4.305 -14.054 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.751 -2.767 -13.325 1.00 0.71 O ATOM 0 H GLU A 65 12.791 -4.604 -12.286 1.00 0.02 H new ATOM 0 HA GLU A 65 14.762 -3.290 -10.427 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.694 -4.888 -12.212 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.017 -3.825 -13.430 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.341 -1.906 -12.476 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.036 -2.989 -11.286 1.00 0.49 H new ATOM 1016 N TYR A 66 14.066 -1.009 -11.169 1.00 0.02 N ATOM 1017 CA TYR A 66 13.580 0.353 -11.537 1.00 0.02 C ATOM 1018 C TYR A 66 14.812 1.256 -11.748 1.00 0.02 C ATOM 1019 O TYR A 66 15.378 1.740 -10.785 1.00 0.02 O ATOM 1020 CB TYR A 66 12.743 0.894 -10.377 1.00 0.01 C ATOM 1021 CG TYR A 66 11.541 0.000 -10.180 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.649 -1.152 -9.394 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.324 0.319 -10.792 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.537 -1.985 -9.218 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.213 -0.513 -10.618 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.320 -1.665 -9.831 1.00 0.02 C ATOM 1027 OH TYR A 66 8.225 -2.487 -9.658 1.00 0.01 O ATOM 0 H TYR A 66 14.644 -1.039 -10.329 1.00 0.02 H new ATOM 0 HA TYR A 66 12.977 0.325 -12.444 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.340 0.929 -9.466 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.423 1.915 -10.587 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.589 -1.399 -8.923 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.242 1.208 -11.399 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.618 -2.874 -8.610 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.274 -0.266 -11.091 1.00 0.02 H new ATOM 0 HH TYR A 66 7.460 -2.121 -10.149 1.00 0.01 H new ATOM 1037 N PRO A 67 15.256 1.467 -12.978 1.00 0.01 N ATOM 1038 CA PRO A 67 16.467 2.306 -13.217 1.00 0.02 C ATOM 1039 C PRO A 67 16.245 3.802 -12.936 1.00 0.02 C ATOM 1040 O PRO A 67 17.171 4.585 -13.004 1.00 0.02 O ATOM 1041 CB PRO A 67 16.773 2.051 -14.708 1.00 0.02 C ATOM 1042 CG PRO A 67 15.595 1.266 -15.322 1.00 0.02 C ATOM 1043 CD PRO A 67 14.609 0.897 -14.198 1.00 0.01 C ATOM 0 HA PRO A 67 17.284 2.042 -12.545 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.913 2.996 -15.233 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.700 1.487 -14.813 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.095 1.867 -16.081 1.00 0.02 H new ATOM 0 HG3 PRO A 67 15.958 0.365 -15.817 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.623 1.328 -14.370 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.476 -0.182 -14.117 1.00 0.01 H new ATOM 1051 N GLU A 68 15.052 4.213 -12.604 1.00 0.01 N ATOM 1052 CA GLU A 68 14.829 5.658 -12.309 1.00 0.01 C ATOM 1053 C GLU A 68 13.582 5.774 -11.436 1.00 0.03 C ATOM 1054 O GLU A 68 12.722 4.917 -11.428 1.00 0.02 O ATOM 1055 CB GLU A 68 14.606 6.439 -13.610 1.00 0.69 C ATOM 1056 CG GLU A 68 15.910 6.511 -14.408 1.00 1.09 C ATOM 1057 CD GLU A 68 15.781 7.573 -15.501 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.697 8.112 -15.649 1.00 1.55 O ATOM 1059 OE2 GLU A 68 16.768 7.829 -16.171 1.00 2.02 O ATOM 0 H GLU A 68 14.228 3.617 -12.524 1.00 0.01 H new ATOM 0 HA GLU A 68 15.701 6.069 -11.800 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.832 5.956 -14.206 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.253 7.445 -13.384 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.741 6.754 -13.746 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.131 5.541 -14.853 1.00 1.09 H new ATOM 1066 N TYR A 69 13.506 6.819 -10.664 1.00 0.02 N ATOM 1067 CA TYR A 69 12.354 6.974 -9.738 1.00 0.02 C ATOM 1068 C TYR A 69 11.018 7.015 -10.490 1.00 0.01 C ATOM 1069 O TYR A 69 10.028 6.466 -10.043 1.00 0.01 O ATOM 1070 CB TYR A 69 12.548 8.221 -8.867 1.00 0.02 C ATOM 1071 CG TYR A 69 12.454 9.476 -9.708 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.526 9.855 -10.525 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.300 10.271 -9.656 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.444 11.026 -11.288 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.218 11.439 -10.420 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.290 11.818 -11.236 1.00 0.02 C ATOM 1077 OH TYR A 69 12.211 12.972 -11.991 1.00 0.01 O ATOM 0 H TYR A 69 14.192 7.573 -10.634 1.00 0.02 H new ATOM 0 HA TYR A 69 12.318 6.099 -9.089 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.792 8.245 -8.082 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.519 8.179 -8.373 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.416 9.244 -10.567 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.473 9.981 -9.025 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.271 11.319 -11.917 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.327 12.049 -10.380 1.00 0.02 H new ATOM 0 HH TYR A 69 12.746 12.868 -12.805 1.00 0.01 H new ATOM 1087 N GLN A 70 10.977 7.655 -11.630 1.00 0.01 N ATOM 1088 CA GLN A 70 9.710 7.723 -12.411 1.00 0.02 C ATOM 1089 C GLN A 70 9.231 6.312 -12.779 1.00 0.01 C ATOM 1090 O GLN A 70 8.062 6.081 -13.008 1.00 0.02 O ATOM 1091 CB GLN A 70 9.954 8.512 -13.701 1.00 0.01 C ATOM 1092 CG GLN A 70 10.223 9.979 -13.364 1.00 0.01 C ATOM 1093 CD GLN A 70 8.938 10.632 -12.848 1.00 0.02 C ATOM 1094 OE1 GLN A 70 7.882 10.034 -12.886 1.00 0.01 O ATOM 1095 NE2 GLN A 70 8.986 11.844 -12.364 1.00 0.02 N ATOM 0 H GLN A 70 11.771 8.135 -12.054 1.00 0.01 H new ATOM 0 HA GLN A 70 8.950 8.213 -11.803 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.802 8.091 -14.241 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.087 8.432 -14.357 1.00 0.01 H new ATOM 0 HG2 GLN A 70 11.007 10.052 -12.611 1.00 0.01 H new ATOM 0 HG3 GLN A 70 10.581 10.506 -14.249 1.00 0.01 H new ATOM 0 HE21 GLN A 70 9.873 12.346 -12.332 1.00 0.02 H new ATOM 0 HE22 GLN A 70 8.136 12.289 -12.018 1.00 0.02 H new ATOM 1104 N ARG A 71 10.141 5.370 -12.831 1.00 0.01 N ATOM 1105 CA ARG A 71 9.750 3.971 -13.178 1.00 0.02 C ATOM 1106 C ARG A 71 8.950 3.377 -12.020 1.00 0.01 C ATOM 1107 O ARG A 71 8.242 2.399 -12.164 1.00 0.02 O ATOM 1108 CB ARG A 71 11.003 3.125 -13.435 1.00 0.34 C ATOM 1109 CG ARG A 71 10.625 1.821 -14.167 1.00 0.72 C ATOM 1110 CD ARG A 71 10.611 2.046 -15.685 1.00 1.04 C ATOM 1111 NE ARG A 71 9.799 0.980 -16.335 1.00 1.67 N ATOM 1112 CZ ARG A 71 9.406 1.121 -17.571 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.721 2.197 -18.238 1.00 2.54 N ATOM 1114 NH2 ARG A 71 8.698 0.184 -18.142 1.00 3.42 N ATOM 0 H ARG A 71 11.135 5.510 -12.648 1.00 0.01 H new ATOM 0 HA ARG A 71 9.140 3.975 -14.082 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.717 3.692 -14.032 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.493 2.891 -12.490 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.338 1.035 -13.916 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.645 1.480 -13.834 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.195 3.027 -15.915 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.629 2.032 -16.075 1.00 1.04 H new ATOM 0 HE ARG A 71 9.550 0.139 -15.814 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.275 2.929 -17.793 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.413 2.306 -19.204 1.00 2.54 H new ATOM 0 HH21 ARG A 71 8.452 -0.658 -17.622 1.00 3.42 H new ATOM 0 HH22 ARG A 71 8.391 0.294 -19.108 1.00 3.42 H new ATOM 1128 N TRP A 72 9.073 3.973 -10.865 1.00 0.02 N ATOM 1129 CA TRP A 72 8.348 3.491 -9.652 1.00 0.01 C ATOM 1130 C TRP A 72 7.239 4.507 -9.343 1.00 0.01 C ATOM 1131 O TRP A 72 6.599 4.468 -8.313 1.00 0.02 O ATOM 1132 CB TRP A 72 9.383 3.387 -8.507 1.00 0.02 C ATOM 1133 CG TRP A 72 8.781 3.660 -7.164 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.806 2.929 -6.577 1.00 0.01 C ATOM 1135 CD2 TRP A 72 9.117 4.722 -6.226 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.524 3.477 -5.339 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.304 4.585 -5.079 1.00 0.02 C ATOM 1138 CE3 TRP A 72 10.040 5.783 -6.262 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.404 5.470 -4.003 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 10.143 6.674 -5.184 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.327 6.519 -4.057 1.00 0.02 C ATOM 0 H TRP A 72 9.659 4.793 -10.707 1.00 0.02 H new ATOM 0 HA TRP A 72 7.887 2.513 -9.790 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.823 2.390 -8.509 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.193 4.093 -8.689 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.327 2.061 -7.005 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.824 3.107 -4.696 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.674 5.912 -7.127 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.773 5.345 -3.136 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.856 7.484 -5.223 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.410 7.209 -3.230 1.00 0.02 H new ATOM 1152 N MET A 73 7.016 5.415 -10.254 1.00 0.02 N ATOM 1153 CA MET A 73 5.962 6.450 -10.062 1.00 0.02 C ATOM 1154 C MET A 73 6.264 7.302 -8.823 1.00 0.01 C ATOM 1155 O MET A 73 5.389 7.920 -8.249 1.00 0.02 O ATOM 1156 CB MET A 73 4.599 5.772 -9.896 1.00 0.02 C ATOM 1157 CG MET A 73 4.465 4.640 -10.916 1.00 0.01 C ATOM 1158 SD MET A 73 2.729 4.136 -11.030 1.00 0.01 S ATOM 1159 CE MET A 73 2.755 2.920 -9.690 1.00 0.01 C ATOM 0 H MET A 73 7.527 5.484 -11.134 1.00 0.02 H new ATOM 0 HA MET A 73 5.946 7.098 -10.938 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.497 5.378 -8.885 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.799 6.499 -10.037 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.824 4.970 -11.891 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.083 3.792 -10.619 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.766 2.475 -9.583 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.480 2.140 -9.921 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.035 3.411 -8.758 1.00 0.01 H new ATOM 1169 N GLY A 74 7.504 7.331 -8.410 1.00 0.02 N ATOM 1170 CA GLY A 74 7.873 8.137 -7.214 1.00 0.02 C ATOM 1171 C GLY A 74 7.525 9.601 -7.463 1.00 0.01 C ATOM 1172 O GLY A 74 7.679 10.107 -8.557 1.00 0.01 O ATOM 0 H GLY A 74 8.276 6.831 -8.851 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.342 7.770 -6.336 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.938 8.035 -7.008 1.00 0.02 H new ATOM 1176 N LEU A 75 7.094 10.301 -6.448 1.00 0.02 N ATOM 1177 CA LEU A 75 6.789 11.749 -6.631 1.00 0.02 C ATOM 1178 C LEU A 75 8.119 12.511 -6.613 1.00 0.01 C ATOM 1179 O LEU A 75 8.282 13.521 -7.268 1.00 0.02 O ATOM 1180 CB LEU A 75 5.880 12.239 -5.500 1.00 0.55 C ATOM 1181 CG LEU A 75 4.753 11.230 -5.266 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.806 11.766 -4.191 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.978 11.014 -6.571 1.00 0.42 C ATOM 0 H LEU A 75 6.941 9.937 -5.508 1.00 0.02 H new ATOM 0 HA LEU A 75 6.271 11.916 -7.576 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.459 12.369 -4.586 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.462 13.213 -5.754 1.00 0.55 H new ATOM 0 HG LEU A 75 5.177 10.281 -4.937 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.003 11.049 -4.023 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.357 11.917 -3.263 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.382 12.715 -4.520 1.00 0.98 H new ATOM 0 HD21 LEU A 75 3.176 10.295 -6.403 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.553 11.961 -6.903 1.00 0.42 H new ATOM 0 HD23 LEU A 75 4.653 10.632 -7.336 1.00 0.42 H new ATOM 1195 N ASN A 76 9.081 12.004 -5.884 1.00 0.01 N ATOM 1196 CA ASN A 76 10.425 12.631 -5.812 1.00 0.02 C ATOM 1197 C ASN A 76 11.393 11.526 -5.384 1.00 0.02 C ATOM 1198 O ASN A 76 11.022 10.370 -5.346 1.00 0.02 O ATOM 1199 CB ASN A 76 10.418 13.766 -4.786 1.00 0.02 C ATOM 1200 CG ASN A 76 9.672 14.971 -5.365 1.00 0.02 C ATOM 1201 OD1 ASN A 76 8.612 15.330 -4.889 1.00 0.01 O ATOM 1202 ND2 ASN A 76 10.183 15.613 -6.379 1.00 0.02 N ATOM 0 H ASN A 76 8.982 11.158 -5.323 1.00 0.01 H new ATOM 0 HA ASN A 76 10.719 13.059 -6.770 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.938 13.435 -3.865 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.440 14.046 -4.530 1.00 0.02 H new ATOM 0 HD21 ASN A 76 9.694 16.416 -6.773 1.00 0.02 H new ATOM 0 HD22 ASN A 76 11.072 15.312 -6.778 1.00 0.02 H new ATOM 1209 N ASP A 77 12.623 11.841 -5.076 1.00 0.01 N ATOM 1210 CA ASP A 77 13.589 10.766 -4.671 1.00 0.01 C ATOM 1211 C ASP A 77 13.702 10.690 -3.145 1.00 0.01 C ATOM 1212 O ASP A 77 14.740 10.332 -2.621 1.00 0.01 O ATOM 1213 CB ASP A 77 14.967 11.090 -5.252 1.00 0.01 C ATOM 1214 CG ASP A 77 15.314 12.551 -4.963 1.00 0.01 C ATOM 1215 OD1 ASP A 77 15.179 12.955 -3.818 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.705 13.239 -5.891 1.00 0.01 O ATOM 0 H ASP A 77 13.003 12.788 -5.086 1.00 0.01 H new ATOM 0 HA ASP A 77 13.229 9.809 -5.049 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.720 10.434 -4.816 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.971 10.910 -6.327 1.00 0.01 H new ATOM 1221 N ARG A 78 12.666 11.039 -2.419 1.00 0.01 N ATOM 1222 CA ARG A 78 12.750 11.001 -0.922 1.00 0.01 C ATOM 1223 C ARG A 78 12.138 9.711 -0.358 1.00 0.02 C ATOM 1224 O ARG A 78 10.974 9.425 -0.555 1.00 0.02 O ATOM 1225 CB ARG A 78 12.008 12.210 -0.346 1.00 0.43 C ATOM 1226 CG ARG A 78 12.787 13.489 -0.657 1.00 0.80 C ATOM 1227 CD ARG A 78 12.017 14.698 -0.124 1.00 1.00 C ATOM 1228 NE ARG A 78 11.921 14.610 1.362 1.00 1.30 N ATOM 1229 CZ ARG A 78 11.570 15.658 2.058 1.00 2.30 C ATOM 1230 NH1 ARG A 78 11.300 16.782 1.452 1.00 2.72 N ATOM 1231 NH2 ARG A 78 11.489 15.583 3.357 1.00 3.20 N ATOM 0 H ARG A 78 11.769 11.347 -2.795 1.00 0.01 H new ATOM 0 HA ARG A 78 13.802 11.029 -0.637 1.00 0.01 H new ATOM 0 HB2 ARG A 78 11.006 12.270 -0.771 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.891 12.097 0.732 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.776 13.445 -0.201 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.936 13.584 -1.733 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.521 15.620 -0.413 1.00 1.00 H new ATOM 0 HD3 ARG A 78 11.020 14.730 -0.562 1.00 1.00 H new ATOM 0 HE ARG A 78 12.130 13.731 1.835 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.363 16.841 0.436 1.00 2.72 H new ATOM 0 HH12 ARG A 78 11.026 17.601 1.995 1.00 2.72 H new ATOM 0 HH21 ARG A 78 11.700 14.705 3.831 1.00 3.20 H new ATOM 0 HH22 ARG A 78 11.215 16.402 3.899 1.00 3.20 H new ATOM 1245 N LEU A 79 12.909 8.957 0.385 1.00 0.01 N ATOM 1246 CA LEU A 79 12.389 7.707 1.028 1.00 0.01 C ATOM 1247 C LEU A 79 13.041 7.595 2.406 1.00 0.01 C ATOM 1248 O LEU A 79 14.250 7.561 2.522 1.00 0.02 O ATOM 1249 CB LEU A 79 12.757 6.470 0.198 1.00 1.04 C ATOM 1250 CG LEU A 79 11.906 6.404 -1.084 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.323 5.175 -1.906 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.403 6.304 -0.732 1.00 2.61 C ATOM 0 H LEU A 79 13.891 9.156 0.577 1.00 0.01 H new ATOM 0 HA LEU A 79 11.303 7.756 1.101 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.815 6.502 -0.063 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.602 5.568 0.791 1.00 1.04 H new ATOM 0 HG LEU A 79 12.069 7.312 -1.664 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.723 5.124 -2.815 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.377 5.255 -2.171 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.165 4.272 -1.316 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.817 6.258 -1.650 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.226 5.404 -0.143 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.106 7.179 -0.155 1.00 2.61 H new ATOM 1264 N GLY A 80 12.256 7.583 3.455 1.00 0.02 N ATOM 1265 CA GLY A 80 12.830 7.529 4.837 1.00 0.02 C ATOM 1266 C GLY A 80 12.617 6.164 5.501 1.00 0.02 C ATOM 1267 O GLY A 80 13.286 5.844 6.461 1.00 0.01 O ATOM 0 H GLY A 80 11.237 7.608 3.414 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.897 7.747 4.794 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.370 8.305 5.450 1.00 0.02 H new ATOM 1271 N SER A 81 11.711 5.343 5.025 1.00 0.01 N ATOM 1272 CA SER A 81 11.518 4.017 5.697 1.00 0.01 C ATOM 1273 C SER A 81 10.931 2.996 4.726 1.00 0.02 C ATOM 1274 O SER A 81 10.285 3.331 3.754 1.00 0.01 O ATOM 1275 CB SER A 81 10.568 4.190 6.880 1.00 0.01 C ATOM 1276 OG SER A 81 10.261 2.916 7.426 1.00 0.01 O ATOM 0 H SER A 81 11.110 5.526 4.221 1.00 0.01 H new ATOM 0 HA SER A 81 12.487 3.654 6.039 1.00 0.01 H new ATOM 0 HB2 SER A 81 11.027 4.823 7.640 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.655 4.690 6.558 1.00 0.01 H new ATOM 0 HG SER A 81 9.587 3.016 8.130 1.00 0.01 H new ATOM 1282 N CYS A 82 11.158 1.732 4.995 1.00 0.02 N ATOM 1283 CA CYS A 82 10.620 0.661 4.100 1.00 0.01 C ATOM 1284 C CYS A 82 10.232 -0.572 4.923 1.00 0.01 C ATOM 1285 O CYS A 82 10.841 -0.878 5.929 1.00 0.01 O ATOM 1286 CB CYS A 82 11.681 0.274 3.068 1.00 0.01 C ATOM 1287 SG CYS A 82 10.965 -0.876 1.866 1.00 0.02 S ATOM 0 H CYS A 82 11.693 1.397 5.796 1.00 0.02 H new ATOM 0 HA CYS A 82 9.734 1.039 3.590 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.051 1.164 2.560 1.00 0.01 H new ATOM 0 HB3 CYS A 82 12.535 -0.187 3.564 1.00 0.01 H new ATOM 0 HG CYS A 82 9.690 -0.649 1.755 1.00 0.02 H new ATOM 1293 N ARG A 83 9.225 -1.290 4.487 1.00 0.01 N ATOM 1294 CA ARG A 83 8.783 -2.519 5.221 1.00 0.01 C ATOM 1295 C ARG A 83 8.485 -3.626 4.207 1.00 0.01 C ATOM 1296 O ARG A 83 7.950 -3.384 3.143 1.00 0.01 O ATOM 1297 CB ARG A 83 7.492 -2.229 5.990 1.00 0.01 C ATOM 1298 CG ARG A 83 7.768 -1.219 7.103 1.00 0.01 C ATOM 1299 CD ARG A 83 6.481 -0.965 7.890 1.00 0.01 C ATOM 1300 NE ARG A 83 5.932 -2.262 8.378 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.020 -2.272 9.312 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.583 -1.148 9.811 1.00 0.01 N ATOM 1303 NH2 ARG A 83 4.541 -3.406 9.746 1.00 0.01 N ATOM 0 H ARG A 83 8.686 -1.076 3.648 1.00 0.01 H new ATOM 0 HA ARG A 83 9.571 -2.823 5.910 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.734 -1.838 5.311 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.095 -3.152 6.414 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.545 -1.597 7.768 1.00 0.01 H new ATOM 0 HG3 ARG A 83 8.138 -0.286 6.679 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.682 -0.303 8.732 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.749 -0.463 7.258 1.00 0.01 H new ATOM 0 HE ARG A 83 6.268 -3.140 7.983 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.954 -0.261 9.471 1.00 0.01 H new ATOM 0 HH12 ARG A 83 3.870 -1.157 10.541 1.00 0.01 H new ATOM 0 HH21 ARG A 83 4.879 -4.285 9.355 1.00 0.01 H new ATOM 0 HH22 ARG A 83 3.828 -3.413 10.476 1.00 0.01 H new ATOM 1317 N ALA A 84 8.830 -4.846 4.532 1.00 0.01 N ATOM 1318 CA ALA A 84 8.568 -5.973 3.593 1.00 0.01 C ATOM 1319 C ALA A 84 7.098 -6.383 3.689 1.00 0.01 C ATOM 1320 O ALA A 84 6.554 -6.551 4.762 1.00 0.00 O ATOM 1321 CB ALA A 84 9.445 -7.169 3.967 1.00 0.43 C ATOM 0 H ALA A 84 9.282 -5.108 5.408 1.00 0.01 H new ATOM 0 HA ALA A 84 8.798 -5.654 2.576 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.251 -7.992 3.279 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.495 -6.884 3.905 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.214 -7.485 4.984 1.00 0.43 H new ATOM 1327 N VAL A 85 6.465 -6.559 2.564 1.00 0.01 N ATOM 1328 CA VAL A 85 5.036 -6.978 2.547 1.00 0.01 C ATOM 1329 C VAL A 85 4.966 -8.503 2.481 1.00 0.01 C ATOM 1330 O VAL A 85 5.518 -9.115 1.589 1.00 0.01 O ATOM 1331 CB VAL A 85 4.343 -6.380 1.325 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.843 -6.659 1.408 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.574 -4.867 1.295 1.00 1.12 C ATOM 0 H VAL A 85 6.883 -6.429 1.643 1.00 0.01 H new ATOM 0 HA VAL A 85 4.537 -6.625 3.450 1.00 0.01 H new ATOM 0 HB VAL A 85 4.752 -6.829 0.420 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.345 -6.233 0.537 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.674 -7.736 1.433 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.439 -6.207 2.314 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.079 -4.441 0.422 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.164 -4.418 2.200 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.643 -4.663 1.241 1.00 1.12 H new ATOM 1343 N HIS A 86 4.286 -9.128 3.403 1.00 0.01 N ATOM 1344 CA HIS A 86 4.183 -10.616 3.370 1.00 0.01 C ATOM 1345 C HIS A 86 2.919 -10.997 2.606 1.00 0.01 C ATOM 1346 O HIS A 86 1.851 -10.472 2.847 1.00 0.00 O ATOM 1347 CB HIS A 86 4.088 -11.153 4.800 1.00 0.21 C ATOM 1348 CG HIS A 86 5.382 -10.888 5.519 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.609 -11.283 5.004 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.659 -10.268 6.711 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.558 -10.899 5.878 1.00 1.77 C ATOM 1352 NE2 HIS A 86 7.033 -10.276 6.936 1.00 1.71 N ATOM 0 H HIS A 86 3.798 -8.675 4.176 1.00 0.01 H new ATOM 0 HA HIS A 86 5.061 -11.040 2.883 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.262 -10.674 5.326 1.00 0.21 H new ATOM 0 HB3 HIS A 86 3.879 -12.223 4.786 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.923 -9.839 7.374 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.615 -11.073 5.740 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.532 -9.889 7.737 1.00 1.71 H new ATOM 1360 N LEU A 87 3.031 -11.914 1.680 1.00 0.01 N ATOM 1361 CA LEU A 87 1.842 -12.343 0.889 1.00 0.01 C ATOM 1362 C LEU A 87 1.269 -13.604 1.537 1.00 0.01 C ATOM 1363 O LEU A 87 2.000 -14.494 1.928 1.00 0.01 O ATOM 1364 CB LEU A 87 2.279 -12.656 -0.560 1.00 0.67 C ATOM 1365 CG LEU A 87 3.474 -11.784 -0.960 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.843 -12.075 -2.416 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.114 -10.302 -0.812 1.00 1.34 C ATOM 0 H LEU A 87 3.902 -12.386 1.437 1.00 0.01 H new ATOM 0 HA LEU A 87 1.090 -11.554 0.871 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.545 -13.710 -0.646 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.448 -12.480 -1.243 1.00 0.67 H new ATOM 0 HG LEU A 87 4.319 -12.011 -0.311 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.693 -11.457 -2.706 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.107 -13.127 -2.521 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.993 -11.848 -3.059 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.969 -9.690 -1.098 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.267 -10.067 -1.457 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.849 -10.094 0.225 1.00 1.34 H new ATOM 1379 N SER A 88 -0.033 -13.702 1.628 1.00 0.01 N ATOM 1380 CA SER A 88 -0.678 -14.912 2.220 1.00 0.01 C ATOM 1381 C SER A 88 -1.396 -15.678 1.111 1.00 0.01 C ATOM 1382 O SER A 88 -2.235 -15.117 0.435 1.00 0.01 O ATOM 1383 CB SER A 88 -1.698 -14.490 3.277 1.00 0.81 C ATOM 1384 OG SER A 88 -2.390 -15.639 3.749 1.00 1.08 O ATOM 0 H SER A 88 -0.685 -12.984 1.312 1.00 0.01 H new ATOM 0 HA SER A 88 0.082 -15.541 2.684 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.195 -13.989 4.104 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.403 -13.775 2.853 1.00 0.81 H new ATOM 0 HG SER A 88 -3.044 -15.371 4.428 1.00 1.08 H new ATOM 1390 N SER A 89 -1.141 -16.950 0.937 1.00 0.01 N ATOM 1391 CA SER A 89 -1.888 -17.721 -0.105 1.00 0.01 C ATOM 1392 C SER A 89 -2.928 -18.548 0.641 1.00 0.01 C ATOM 1393 O SER A 89 -3.303 -18.192 1.739 1.00 0.01 O ATOM 1394 CB SER A 89 -0.925 -18.645 -0.855 1.00 0.43 C ATOM 1395 OG SER A 89 0.155 -17.876 -1.371 1.00 1.26 O ATOM 0 H SER A 89 -0.453 -17.486 1.467 1.00 0.01 H new ATOM 0 HA SER A 89 -2.355 -17.060 -0.835 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.549 -19.419 -0.186 1.00 0.43 H new ATOM 0 HB3 SER A 89 -1.447 -19.152 -1.667 1.00 0.43 H new ATOM 0 HG SER A 89 0.775 -18.464 -1.851 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.381 -19.658 0.110 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.369 -20.494 0.862 1.00 0.00 C ATOM 1403 C GLY A 90 -5.506 -20.984 -0.033 1.00 0.00 C ATOM 1404 O GLY A 90 -5.811 -22.160 -0.057 1.00 0.01 O ATOM 0 H GLY A 90 -3.112 -20.019 -0.805 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.858 -21.351 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.782 -19.913 1.686 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.145 -20.118 -0.777 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.247 -20.601 -1.651 1.00 0.00 C ATOM 1410 C GLY A 91 -7.909 -19.454 -2.429 1.00 0.00 C ATOM 1411 O GLY A 91 -7.393 -19.015 -3.439 1.00 0.01 O ATOM 0 H GLY A 91 -5.954 -19.117 -0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.856 -21.337 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.997 -21.107 -1.043 1.00 0.00 H new ATOM 1415 N GLN A 92 -9.046 -18.972 -1.982 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.747 -17.860 -2.713 1.00 2.31 C ATOM 1417 C GLN A 92 -9.901 -16.634 -1.806 1.00 1.91 C ATOM 1418 O GLN A 92 -10.498 -16.690 -0.749 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.115 -18.365 -3.175 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.768 -17.317 -4.077 1.00 2.86 C ATOM 1421 CD GLN A 92 -13.031 -17.904 -4.709 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.001 -18.378 -5.827 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -14.149 -17.890 -4.036 1.00 4.43 N ATOM 0 H GLN A 92 -9.521 -19.300 -1.141 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.157 -17.559 -3.579 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -11.004 -19.306 -3.714 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.751 -18.565 -2.313 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -12.018 -16.428 -3.498 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.070 -17.005 -4.854 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -14.174 -17.492 -3.097 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.998 -18.277 -4.449 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.326 -15.530 -2.221 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.394 -14.289 -1.390 1.00 0.01 C ATOM 1434 C ALA A 93 -10.848 -13.796 -1.324 1.00 0.01 C ATOM 1435 O ALA A 93 -11.556 -13.831 -2.311 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.516 -13.211 -2.031 1.00 2.99 C ATOM 0 H ALA A 93 -8.814 -15.436 -3.098 1.00 0.01 H new ATOM 0 HA ALA A 93 -9.040 -14.500 -0.381 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.560 -12.302 -1.431 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.486 -13.563 -2.081 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.877 -12.999 -3.038 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.323 -13.392 -0.153 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.771 -12.956 -0.031 1.00 0.01 C ATOM 1444 C LYS A 94 -12.940 -11.648 0.771 1.00 0.01 C ATOM 1445 O LYS A 94 -12.422 -11.486 1.892 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.576 -14.060 0.658 1.00 2.49 C ATOM 1447 CG LYS A 94 -15.074 -13.823 0.432 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.883 -14.676 1.414 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.575 -16.156 1.184 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.621 -16.989 1.842 1.00 6.36 N ATOM 0 H LYS A 94 -10.781 -13.345 0.710 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.134 -12.772 -1.042 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.288 -15.034 0.263 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.357 -14.072 1.726 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.311 -12.768 0.571 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.342 -14.078 -0.593 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.638 -14.399 2.439 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.949 -14.491 1.279 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.543 -16.370 0.116 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -14.593 -16.401 1.588 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -16.412 -17.996 1.686 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.630 -16.792 2.863 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.551 -16.762 1.437 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.695 -10.712 0.200 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.957 -9.396 0.873 1.00 0.01 C ATOM 1466 C ILE A 95 -15.466 -9.057 0.833 1.00 0.01 C ATOM 1467 O ILE A 95 -16.141 -9.263 -0.158 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.155 -8.307 0.137 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.696 -6.906 0.474 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.266 -8.535 -1.372 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.706 -5.838 -0.003 1.00 1.09 C ATOM 0 H ILE A 95 -14.140 -10.816 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.650 -9.451 1.917 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.114 -8.366 0.456 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.665 -6.756 -0.003 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.853 -6.816 1.549 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.700 -7.767 -1.899 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.865 -9.517 -1.622 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.313 -8.484 -1.672 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.094 -4.848 0.238 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.747 -5.983 0.494 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.572 -5.922 -1.081 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.972 -8.476 1.901 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.414 -8.035 1.951 1.00 0.01 C ATOM 1485 C GLN A 96 -17.433 -6.543 2.308 1.00 0.01 C ATOM 1486 O GLN A 96 -16.658 -6.110 3.132 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.202 -8.855 2.986 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.318 -9.190 4.183 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.183 -9.758 5.311 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -19.244 -9.242 5.598 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -17.769 -10.807 5.967 1.00 2.05 N ATOM 0 H GLN A 96 -15.442 -8.285 2.752 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.891 -8.198 0.985 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -19.075 -8.293 3.317 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.569 -9.774 2.528 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.556 -9.914 3.895 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.796 -8.296 4.525 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -16.878 -11.240 5.726 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.337 -11.194 6.721 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.290 -5.741 1.705 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.310 -4.267 2.027 1.00 0.01 C ATOM 1502 C VAL A 97 -19.709 -3.818 2.482 1.00 0.01 C ATOM 1503 O VAL A 97 -20.720 -4.330 2.035 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.905 -3.486 0.775 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.549 -3.993 0.277 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.956 -3.695 -0.316 1.00 1.03 C ATOM 0 H VAL A 97 -18.972 -6.040 1.008 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.611 -4.074 2.841 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.833 -2.425 1.014 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.258 -3.438 -0.615 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.799 -3.849 1.055 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.623 -5.054 0.036 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.669 -3.139 -1.209 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -19.026 -4.756 -0.556 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.924 -3.339 0.038 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.762 -2.870 3.399 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.074 -2.375 3.939 1.00 0.01 C ATOM 1518 C PHE A 98 -21.240 -0.869 3.678 1.00 0.01 C ATOM 1519 O PHE A 98 -20.305 -0.083 3.783 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.122 -2.619 5.449 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.173 -4.104 5.731 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -20.044 -4.898 5.497 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.343 -4.687 6.234 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.083 -6.272 5.765 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.381 -6.061 6.503 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.252 -6.853 6.268 1.00 0.69 C ATOM 0 H PHE A 98 -18.941 -2.415 3.799 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.878 -2.913 3.437 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.245 -2.180 5.925 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.996 -2.129 5.877 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.141 -4.450 5.109 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.216 -4.077 6.414 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.211 -6.883 5.583 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.283 -6.510 6.892 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.283 -7.913 6.475 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.440 -0.484 3.326 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.727 0.947 3.020 1.00 0.01 C ATOM 1538 C GLU A 99 -22.649 1.828 4.274 1.00 0.01 C ATOM 1539 O GLU A 99 -22.285 2.984 4.186 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.128 1.062 2.418 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.374 2.503 1.969 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.635 2.562 1.108 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.193 1.509 0.837 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -26.022 3.657 0.732 1.00 0.02 O ATOM 0 H GLU A 99 -23.241 -1.109 3.237 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.972 1.295 2.315 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.228 0.384 1.571 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.877 0.766 3.153 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.484 3.152 2.838 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.517 2.870 1.403 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.999 1.314 5.435 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.954 2.155 6.683 1.00 0.01 C ATOM 1553 C LYS A 100 -21.899 1.613 7.648 1.00 0.01 C ATOM 1554 O LYS A 100 -21.411 0.507 7.507 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.323 2.146 7.374 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.418 2.594 6.395 1.00 1.63 C ATOM 1557 CD LYS A 100 -25.431 4.124 6.280 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.640 4.560 5.452 1.00 2.84 C ATOM 1559 NZ LYS A 100 -26.670 6.046 5.364 1.00 3.18 N ATOM 0 H LYS A 100 -23.313 0.353 5.573 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.696 3.176 6.402 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.544 1.145 7.744 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.306 2.809 8.239 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.244 2.150 5.415 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -26.390 2.239 6.738 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -25.474 4.574 7.272 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -24.511 4.472 5.812 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -26.586 4.127 4.453 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.559 4.193 5.909 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -27.492 6.344 4.801 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.741 6.449 6.320 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -25.798 6.385 4.909 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.548 2.401 8.627 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.510 1.981 9.616 1.00 0.01 C ATOM 1575 C GLY A 101 -21.003 0.817 10.477 1.00 0.00 C ATOM 1576 O GLY A 101 -22.182 0.537 10.568 1.00 0.01 O ATOM 0 H GLY A 101 -21.940 3.329 8.787 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.601 1.688 9.090 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.251 2.825 10.255 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.080 0.159 11.128 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.424 -0.983 12.020 1.00 0.00 C ATOM 1582 C ASP A 102 -21.190 -2.064 11.259 1.00 0.00 C ATOM 1583 O ASP A 102 -22.098 -2.686 11.777 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.271 -0.471 13.189 1.00 0.01 C ATOM 1585 CG ASP A 102 -21.347 -1.546 14.275 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -20.436 -1.608 15.084 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -22.315 -2.289 14.280 1.00 0.01 O ATOM 0 H ASP A 102 -19.084 0.371 11.077 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.500 -1.424 12.394 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -20.835 0.441 13.596 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -22.273 -0.218 12.842 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.798 -2.317 10.037 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.455 -3.384 9.233 1.00 0.01 C ATOM 1594 C PHE A 103 -22.970 -3.201 9.214 1.00 0.00 C ATOM 1595 O PHE A 103 -23.713 -4.100 9.556 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.116 -4.744 9.843 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.646 -4.790 10.182 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.701 -5.007 9.173 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.225 -4.614 11.507 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.338 -5.047 9.486 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.862 -4.656 11.821 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.918 -4.872 10.810 1.00 0.01 C ATOM 0 H PHE A 103 -20.043 -1.824 9.560 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.090 -3.325 8.208 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.713 -4.911 10.740 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.364 -5.541 9.142 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -19.024 -5.144 8.152 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.953 -4.446 12.287 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.610 -5.213 8.706 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.538 -4.522 12.843 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.866 -4.904 11.051 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.439 -2.054 8.787 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.915 -1.812 8.709 1.00 0.01 C ATOM 1614 C ASN A 104 -25.230 -1.284 7.308 1.00 0.01 C ATOM 1615 O ASN A 104 -24.344 -0.891 6.574 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.328 -0.781 9.770 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.748 -0.276 9.492 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.630 -1.049 9.177 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.006 0.998 9.600 1.00 2.38 N ATOM 0 H ASN A 104 -22.860 -1.270 8.487 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.466 -2.734 8.895 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.282 -1.230 10.762 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.629 0.056 9.766 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -27.948 1.345 9.420 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.266 1.648 9.865 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.477 -1.285 6.915 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.826 -0.790 5.549 1.00 0.01 C ATOM 1628 C GLY A 105 -26.801 -1.965 4.574 1.00 0.01 C ATOM 1629 O GLY A 105 -26.827 -3.111 4.977 1.00 0.01 O ATOM 0 H GLY A 105 -27.266 -1.605 7.477 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.813 -0.328 5.557 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.118 -0.024 5.234 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.739 -1.708 3.297 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.698 -2.831 2.321 1.00 0.01 C ATOM 1635 C GLN A 106 -25.301 -3.454 2.337 1.00 0.01 C ATOM 1636 O GLN A 106 -24.296 -2.772 2.448 1.00 0.01 O ATOM 1637 CB GLN A 106 -27.008 -2.299 0.919 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.276 -3.473 -0.023 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.643 -4.082 0.291 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -29.659 -3.596 -0.169 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.713 -5.135 1.063 1.00 0.01 N ATOM 0 H GLN A 106 -26.715 -0.773 2.889 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.438 -3.584 2.591 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.875 -1.640 0.952 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.171 -1.706 0.550 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.247 -3.135 -1.059 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.497 -4.227 0.089 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -27.861 -5.542 1.449 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -29.620 -5.549 1.280 1.00 0.01 H new ATOM 1650 N MET A 107 -25.244 -4.758 2.232 1.00 0.01 N ATOM 1651 CA MET A 107 -23.931 -5.481 2.242 1.00 0.01 C ATOM 1652 C MET A 107 -23.721 -6.178 0.897 1.00 0.01 C ATOM 1653 O MET A 107 -24.640 -6.700 0.301 1.00 0.01 O ATOM 1654 CB MET A 107 -23.947 -6.537 3.357 1.00 0.00 C ATOM 1655 CG MET A 107 -22.713 -7.448 3.251 1.00 0.01 C ATOM 1656 SD MET A 107 -23.048 -8.791 2.084 1.00 0.01 S ATOM 1657 CE MET A 107 -23.819 -9.926 3.263 1.00 0.01 C ATOM 0 H MET A 107 -26.061 -5.362 2.139 1.00 0.01 H new ATOM 0 HA MET A 107 -23.124 -4.769 2.414 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.962 -6.047 4.330 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.855 -7.135 3.287 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.850 -6.871 2.919 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.465 -7.857 4.230 1.00 0.01 H new ATOM 0 HE1 MET A 107 -24.111 -10.842 2.749 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.109 -10.165 4.055 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.702 -9.456 3.696 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.497 -6.204 0.432 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.172 -6.881 -0.861 1.00 0.00 C ATOM 1669 C TYR A 108 -20.943 -7.771 -0.643 1.00 0.01 C ATOM 1670 O TYR A 108 -19.994 -7.393 0.017 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.861 -5.831 -1.931 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.148 -5.188 -2.398 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.980 -5.864 -3.297 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.508 -3.918 -1.930 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.171 -5.268 -3.732 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.699 -3.323 -2.365 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.533 -3.999 -3.265 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.706 -3.412 -3.694 1.00 2.48 O ATOM 0 H TYR A 108 -21.697 -5.778 0.901 1.00 0.01 H new ATOM 0 HA TYR A 108 -23.019 -7.481 -1.192 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.189 -5.073 -1.527 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.348 -6.296 -2.773 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.704 -6.845 -3.655 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.867 -3.397 -1.234 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.811 -5.789 -4.429 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.975 -2.342 -2.006 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.805 -2.533 -3.272 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.978 -8.969 -1.173 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.845 -9.938 -0.992 1.00 0.01 C ATOM 1690 C GLU A 109 -19.209 -10.243 -2.347 1.00 0.01 C ATOM 1691 O GLU A 109 -19.896 -10.481 -3.320 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.413 -11.222 -0.378 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.281 -12.229 -0.166 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.816 -13.446 0.592 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.620 -13.250 1.489 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.411 -14.551 0.264 1.00 0.00 O ATOM 0 H GLU A 109 -21.754 -9.324 -1.732 1.00 0.01 H new ATOM 0 HA GLU A 109 -19.082 -9.516 -0.338 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.899 -11.000 0.572 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -21.174 -11.646 -1.034 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.870 -12.538 -1.127 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.469 -11.766 0.394 1.00 0.01 H new ATOM 1703 N THR A 110 -17.897 -10.232 -2.431 1.00 0.01 N ATOM 1704 CA THR A 110 -17.245 -10.516 -3.745 1.00 0.00 C ATOM 1705 C THR A 110 -15.875 -11.182 -3.559 1.00 0.01 C ATOM 1706 O THR A 110 -15.151 -10.943 -2.600 1.00 0.01 O ATOM 1707 CB THR A 110 -17.062 -9.211 -4.525 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.496 -9.496 -5.796 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.134 -8.276 -3.750 1.00 1.69 C ATOM 0 H THR A 110 -17.261 -10.041 -1.657 1.00 0.01 H new ATOM 0 HA THR A 110 -17.891 -11.199 -4.296 1.00 0.00 H new ATOM 0 HB THR A 110 -18.031 -8.729 -4.658 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.380 -8.662 -6.297 1.00 1.65 H new ATOM 0 HG21 THR A 110 -16.005 -7.348 -4.307 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.570 -8.057 -2.775 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.165 -8.756 -3.615 1.00 1.69 H new ATOM 1717 N THR A 111 -15.535 -12.023 -4.508 1.00 0.00 N ATOM 1718 CA THR A 111 -14.232 -12.754 -4.489 1.00 0.01 C ATOM 1719 C THR A 111 -13.363 -12.309 -5.675 1.00 0.01 C ATOM 1720 O THR A 111 -12.340 -12.903 -5.958 1.00 0.01 O ATOM 1721 CB THR A 111 -14.498 -14.257 -4.595 1.00 0.01 C ATOM 1722 OG1 THR A 111 -14.632 -14.616 -5.964 1.00 0.01 O ATOM 1723 CG2 THR A 111 -15.784 -14.605 -3.846 1.00 0.01 C ATOM 0 H THR A 111 -16.123 -12.236 -5.314 1.00 0.00 H new ATOM 0 HA THR A 111 -13.709 -12.532 -3.559 1.00 0.01 H new ATOM 0 HB THR A 111 -13.666 -14.806 -4.154 1.00 0.01 H new ATOM 0 HG1 THR A 111 -14.801 -15.579 -6.035 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.971 -15.676 -3.923 1.00 0.01 H new ATOM 0 HG22 THR A 111 -15.680 -14.329 -2.797 1.00 0.01 H new ATOM 0 HG23 THR A 111 -16.619 -14.058 -4.284 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.789 -11.293 -6.396 1.00 0.01 N ATOM 1732 CA GLU A 112 -13.020 -10.828 -7.602 1.00 0.01 C ATOM 1733 C GLU A 112 -12.622 -9.355 -7.472 1.00 0.01 C ATOM 1734 O GLU A 112 -13.170 -8.619 -6.676 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.896 -10.997 -8.847 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.062 -12.485 -9.158 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.912 -12.653 -10.418 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -16.037 -12.181 -10.418 1.00 3.21 O ATOM 1739 OE2 GLU A 112 -14.424 -13.252 -11.362 1.00 3.07 O ATOM 0 H GLU A 112 -14.639 -10.764 -6.200 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.112 -11.426 -7.683 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.871 -10.538 -8.683 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.442 -10.486 -9.696 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.086 -12.948 -9.301 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.535 -12.992 -8.317 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.680 -8.918 -8.270 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.249 -7.491 -8.227 1.00 0.01 C ATOM 1748 C ASP A 113 -12.371 -6.601 -8.778 1.00 0.00 C ATOM 1749 O ASP A 113 -13.170 -7.028 -9.586 1.00 0.01 O ATOM 1750 CB ASP A 113 -10.001 -7.319 -9.099 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.161 -8.133 -10.385 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.084 -7.850 -11.129 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.360 -9.025 -10.606 1.00 0.00 O ATOM 0 H ASP A 113 -11.189 -9.494 -8.953 1.00 0.01 H new ATOM 0 HA ASP A 113 -11.028 -7.207 -7.198 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.854 -6.266 -9.339 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.116 -7.649 -8.555 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.410 -5.356 -8.363 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.451 -4.405 -8.875 1.00 0.01 C ATOM 1760 C CYS A 114 -12.754 -3.133 -9.412 1.00 0.01 C ATOM 1761 O CYS A 114 -12.147 -2.416 -8.638 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.369 -4.004 -7.721 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.569 -2.780 -8.303 1.00 0.01 S ATOM 0 H CYS A 114 -11.761 -4.955 -7.687 1.00 0.01 H new ATOM 0 HA CYS A 114 -14.027 -4.882 -9.668 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.887 -4.881 -7.333 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.781 -3.592 -6.901 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.672 -2.897 -7.624 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.833 -2.818 -10.700 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.177 -1.578 -11.216 1.00 0.01 C ATOM 1771 C PRO A 115 -12.969 -0.319 -10.835 1.00 0.01 C ATOM 1772 O PRO A 115 -12.401 0.736 -10.630 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.188 -1.814 -12.736 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.244 -2.894 -13.034 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.547 -3.644 -11.723 1.00 0.01 C ATOM 0 HA PRO A 115 -11.181 -1.409 -10.807 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.425 -0.891 -13.265 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.205 -2.135 -13.080 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.152 -2.439 -13.430 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.877 -3.586 -13.792 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.618 -3.697 -11.525 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.176 -4.669 -11.747 1.00 0.01 H new ATOM 1783 N SER A 116 -14.271 -0.417 -10.761 1.00 0.01 N ATOM 1784 CA SER A 116 -15.103 0.774 -10.405 1.00 0.02 C ATOM 1785 C SER A 116 -16.262 0.330 -9.510 1.00 0.01 C ATOM 1786 O SER A 116 -17.185 -0.343 -9.941 1.00 0.00 O ATOM 1787 CB SER A 116 -15.649 1.408 -11.683 1.00 0.01 C ATOM 1788 OG SER A 116 -14.566 1.728 -12.546 1.00 0.01 O ATOM 0 H SER A 116 -14.797 -1.274 -10.932 1.00 0.01 H new ATOM 0 HA SER A 116 -14.495 1.505 -9.872 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.335 0.721 -12.180 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.216 2.307 -11.443 1.00 0.01 H new ATOM 0 HG SER A 116 -14.912 2.134 -13.368 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.196 0.684 -8.253 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.252 0.279 -7.283 1.00 0.01 C ATOM 1796 C ILE A 117 -18.597 0.906 -7.644 1.00 0.01 C ATOM 1797 O ILE A 117 -19.627 0.277 -7.516 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.841 0.738 -5.885 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.573 -0.006 -5.466 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.961 0.434 -4.886 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.975 0.650 -4.220 1.00 1.83 C ATOM 0 H ILE A 117 -15.443 1.245 -7.854 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.359 -0.805 -7.314 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.655 1.812 -5.897 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.804 -1.051 -5.262 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.847 0.007 -6.279 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.661 0.764 -3.891 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.868 0.960 -5.185 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.153 -0.639 -4.870 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.072 0.116 -3.926 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.727 1.689 -4.439 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.699 0.613 -3.406 1.00 1.83 H new ATOM 1813 N MET A 118 -18.608 2.142 -8.064 1.00 0.02 N ATOM 1814 CA MET A 118 -19.913 2.784 -8.387 1.00 0.01 C ATOM 1815 C MET A 118 -20.534 2.106 -9.604 1.00 0.01 C ATOM 1816 O MET A 118 -21.729 1.919 -9.672 1.00 0.02 O ATOM 1817 CB MET A 118 -19.721 4.276 -8.664 1.00 0.24 C ATOM 1818 CG MET A 118 -21.079 4.977 -8.651 1.00 0.63 C ATOM 1819 SD MET A 118 -20.854 6.736 -9.017 1.00 1.20 S ATOM 1820 CE MET A 118 -21.043 6.621 -10.815 1.00 1.34 C ATOM 0 H MET A 118 -17.783 2.727 -8.196 1.00 0.02 H new ATOM 0 HA MET A 118 -20.580 2.672 -7.532 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.066 4.715 -7.911 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.236 4.418 -9.630 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.742 4.523 -9.388 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.554 4.855 -7.678 1.00 0.63 H new ATOM 0 HE1 MET A 118 -20.939 7.612 -11.256 1.00 1.34 H new ATOM 0 HE2 MET A 118 -20.276 5.961 -11.220 1.00 1.34 H new ATOM 0 HE3 MET A 118 -22.028 6.220 -11.052 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.752 1.725 -10.565 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.340 1.065 -11.757 1.00 0.02 C ATOM 1832 C GLU A 119 -20.854 -0.327 -11.379 1.00 0.02 C ATOM 1833 O GLU A 119 -21.858 -0.785 -11.884 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.273 0.935 -12.846 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.941 0.579 -14.175 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.872 0.166 -15.186 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.563 -1.013 -15.243 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -18.380 1.036 -15.887 1.00 2.07 O ATOM 0 H GLU A 119 -18.739 1.840 -10.580 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.170 1.667 -12.128 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.721 1.870 -12.943 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.551 0.166 -12.572 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.654 -0.233 -14.030 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.503 1.433 -14.552 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.139 -1.025 -10.537 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.550 -2.416 -10.180 1.00 0.01 C ATOM 1847 C GLN A 120 -21.661 -2.441 -9.120 1.00 0.01 C ATOM 1848 O GLN A 120 -22.608 -3.192 -9.235 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.320 -3.176 -9.652 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.517 -4.688 -9.823 1.00 1.07 C ATOM 1851 CD GLN A 120 -20.711 -5.151 -8.984 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -20.931 -4.660 -7.897 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -21.497 -6.083 -9.451 1.00 2.08 N ATOM 0 H GLN A 120 -19.289 -0.693 -10.081 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.946 -2.892 -11.077 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.427 -2.855 -10.189 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -19.161 -2.939 -8.600 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -19.684 -4.926 -10.873 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -18.616 -5.219 -9.515 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -21.312 -6.496 -10.365 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -22.296 -6.398 -8.902 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.513 -1.684 -8.056 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.523 -1.727 -6.942 1.00 0.01 C ATOM 1864 C PHE A 121 -23.346 -0.442 -6.840 1.00 0.01 C ATOM 1865 O PHE A 121 -24.208 -0.325 -5.993 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.784 -1.952 -5.623 1.00 0.01 C ATOM 1867 CG PHE A 121 -21.024 -3.253 -5.689 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -21.666 -4.455 -5.376 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -19.675 -3.257 -6.063 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -20.962 -5.663 -5.437 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -18.971 -4.465 -6.125 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.614 -5.667 -5.812 1.00 0.01 C ATOM 0 H PHE A 121 -20.737 -1.038 -7.909 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.218 -2.540 -7.155 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.098 -1.127 -5.433 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.493 -1.974 -4.796 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -22.707 -4.451 -5.087 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -19.178 -2.329 -6.303 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -21.459 -6.591 -5.195 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -17.931 -4.469 -6.415 1.00 0.01 H new ATOM 0 HZ PHE A 121 -19.070 -6.599 -5.860 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.096 0.526 -7.673 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.877 1.792 -7.588 1.00 0.01 C ATOM 1884 C HIS A 122 -23.674 2.426 -6.208 1.00 0.01 C ATOM 1885 O HIS A 122 -24.564 3.055 -5.668 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.362 1.489 -7.825 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.493 0.449 -8.901 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.895 -0.849 -8.626 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.280 0.496 -10.256 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.912 -1.523 -9.791 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.545 -0.750 -10.816 1.00 0.01 N ATOM 0 H HIS A 122 -22.388 0.498 -8.407 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.533 2.492 -8.349 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.824 1.135 -6.903 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.888 2.398 -8.116 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -24.956 1.368 -10.805 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -26.189 -2.563 -9.885 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.474 -1.016 -11.798 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.500 2.264 -5.635 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.210 2.855 -4.282 1.00 0.01 C ATOM 1901 C LEU A 123 -21.162 3.963 -4.441 1.00 0.02 C ATOM 1902 O LEU A 123 -20.182 3.811 -5.146 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.661 1.754 -3.343 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.806 1.105 -2.536 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.364 -0.271 -2.024 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.163 1.981 -1.326 1.00 0.01 C ATOM 0 H LEU A 123 -21.726 1.745 -6.049 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.124 3.267 -3.854 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.146 0.993 -3.929 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.927 2.183 -2.661 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.674 1.003 -3.188 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.175 -0.725 -1.455 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.112 -0.910 -2.870 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.490 -0.157 -1.382 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.972 1.513 -0.764 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.289 2.087 -0.683 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.482 2.965 -1.670 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.368 5.082 -3.795 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.396 6.210 -3.910 1.00 0.00 C ATOM 1920 C ARG A 124 -19.351 6.130 -2.791 1.00 0.01 C ATOM 1921 O ARG A 124 -18.270 6.675 -2.899 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.145 7.540 -3.799 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.084 7.496 -2.592 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.608 8.903 -2.300 1.00 2.92 C ATOM 1925 NE ARG A 124 -21.515 9.725 -1.708 1.00 3.54 N ATOM 1926 CZ ARG A 124 -21.636 11.023 -1.649 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -22.712 11.600 -2.112 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -20.681 11.744 -1.129 1.00 5.32 N ATOM 0 H ARG A 124 -22.170 5.263 -3.191 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.893 6.142 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -20.436 8.361 -3.692 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -21.714 7.726 -4.710 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -22.916 6.821 -2.790 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -21.557 7.105 -1.722 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -22.970 9.366 -3.218 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.453 8.853 -1.614 1.00 2.92 H new ATOM 0 HE ARG A 124 -20.673 9.274 -1.349 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.458 11.036 -2.520 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -22.807 12.615 -2.066 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -19.840 11.293 -0.769 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -20.775 12.759 -1.083 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.674 5.474 -1.703 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.712 5.381 -0.560 1.00 0.01 C ATOM 1944 C GLU A 125 -18.909 4.055 0.183 1.00 0.01 C ATOM 1945 O GLU A 125 -19.929 3.408 0.054 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.974 6.530 0.416 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.524 7.848 -0.214 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.609 8.966 0.827 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.611 9.026 1.523 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.670 9.740 0.912 1.00 0.02 O ATOM 0 H GLU A 125 -20.564 4.998 -1.557 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.695 5.437 -0.947 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.035 6.576 0.663 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.437 6.358 1.349 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.502 7.757 -0.583 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.153 8.087 -1.072 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.949 3.668 0.988 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.075 2.403 1.787 1.00 0.01 C ATOM 1959 C ILE A 126 -17.696 2.733 3.233 1.00 0.01 C ATOM 1960 O ILE A 126 -16.689 3.374 3.471 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.124 1.339 1.221 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.714 0.807 -0.088 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.972 0.185 2.221 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.706 -0.108 -0.775 1.00 1.70 C ATOM 0 H ILE A 126 -17.076 4.177 1.128 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.092 2.013 1.740 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.143 1.779 1.042 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.636 0.261 0.113 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.972 1.637 -0.745 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.296 -0.565 1.811 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.566 0.566 3.158 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.946 -0.267 2.405 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.131 -0.484 -1.706 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.796 0.451 -0.991 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.470 -0.946 -0.120 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.518 2.366 4.198 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.209 2.747 5.621 1.00 0.01 C ATOM 1978 C HIS A 127 -17.753 1.560 6.478 1.00 0.01 C ATOM 1979 O HIS A 127 -17.216 1.750 7.551 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.445 3.399 6.252 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.616 4.796 5.715 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.510 5.918 6.521 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.883 5.265 4.452 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.711 6.997 5.743 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.942 6.657 4.473 1.00 0.02 N ATOM 0 H HIS A 127 -19.375 1.829 4.065 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.376 3.449 5.592 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.332 2.805 6.034 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.339 3.427 7.336 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -20.025 4.649 3.576 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.688 8.015 6.102 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.123 7.282 3.687 1.00 0.02 H new ATOM 1993 N SER A 128 -17.917 0.345 6.028 1.00 0.01 N ATOM 1994 CA SER A 128 -17.436 -0.811 6.852 1.00 0.01 C ATOM 1995 C SER A 128 -17.135 -1.975 5.911 1.00 0.01 C ATOM 1996 O SER A 128 -17.700 -2.077 4.846 1.00 0.01 O ATOM 1997 CB SER A 128 -18.526 -1.207 7.865 1.00 0.01 C ATOM 1998 OG SER A 128 -18.169 -0.712 9.147 1.00 0.01 O ATOM 0 H SER A 128 -18.356 0.101 5.140 1.00 0.01 H new ATOM 0 HA SER A 128 -16.535 -0.542 7.403 1.00 0.01 H new ATOM 0 HB2 SER A 128 -19.490 -0.800 7.559 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.634 -2.291 7.897 1.00 0.01 H new ATOM 0 HG SER A 128 -17.979 0.247 9.086 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.233 -2.846 6.262 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.913 -3.964 5.339 1.00 0.01 C ATOM 2006 C CYS A 129 -15.228 -5.083 6.109 1.00 0.00 C ATOM 2007 O CYS A 129 -14.471 -4.846 7.031 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.982 -3.454 4.240 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.284 -4.851 3.325 1.00 1.22 S ATOM 0 H CYS A 129 -15.710 -2.832 7.137 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.832 -4.346 4.894 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.530 -2.801 3.561 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.181 -2.858 4.678 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.212 -5.736 3.110 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.494 -6.307 5.730 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.872 -7.470 6.426 1.00 0.01 C ATOM 2017 C LYS A 130 -14.067 -8.282 5.404 1.00 0.01 C ATOM 2018 O LYS A 130 -14.602 -8.957 4.554 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.996 -8.338 7.051 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.823 -8.428 8.574 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.883 -9.365 9.151 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.556 -9.670 10.615 1.00 0.33 C ATOM 2023 NZ LYS A 130 -16.600 -8.408 11.406 1.00 1.41 N ATOM 0 H LYS A 130 -16.120 -6.551 4.963 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.203 -7.135 7.218 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.969 -7.908 6.815 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.975 -9.338 6.617 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.826 -8.796 8.817 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.915 -7.438 9.021 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.869 -8.906 9.076 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.918 -10.290 8.575 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.270 -10.389 11.016 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -15.569 -10.126 10.691 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -15.791 -8.379 12.059 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -16.554 -7.593 10.762 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.486 -8.370 11.950 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.777 -8.219 5.511 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.884 -8.985 4.602 1.00 0.01 C ATOM 2039 C VAL A 131 -11.299 -10.090 5.439 1.00 0.01 C ATOM 2040 O VAL A 131 -10.594 -9.819 6.395 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.763 -8.077 4.103 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.865 -8.855 3.143 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.357 -6.870 3.381 1.00 0.01 C ATOM 0 H VAL A 131 -12.289 -7.655 6.207 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.422 -9.372 3.736 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.175 -7.733 4.954 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.065 -8.206 2.787 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.434 -9.712 3.661 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.454 -9.203 2.295 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.552 -6.225 3.027 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.950 -7.210 2.532 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.993 -6.312 4.068 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.508 -11.341 5.077 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.854 -12.429 5.876 1.00 0.01 C ATOM 2055 C VAL A 132 -10.506 -13.567 4.937 1.00 0.00 C ATOM 2056 O VAL A 132 -11.072 -14.635 5.018 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.826 -12.936 6.951 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -11.089 -13.888 7.897 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.371 -11.750 7.749 1.00 1.98 C ATOM 0 H VAL A 132 -12.082 -11.646 4.291 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.955 -12.048 6.360 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.652 -13.463 6.473 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.778 -14.248 8.660 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.700 -14.734 7.331 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.263 -13.360 8.374 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -13.061 -12.111 8.512 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.545 -11.223 8.227 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.896 -11.070 7.078 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.575 -13.360 4.068 1.00 0.01 N ATOM 2070 CA GLU A 133 -9.166 -14.437 3.130 1.00 0.01 C ATOM 2071 C GLU A 133 -8.194 -13.803 2.136 1.00 0.01 C ATOM 2072 O GLU A 133 -8.608 -13.016 1.305 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.416 -15.031 2.417 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.634 -16.496 2.829 1.00 0.00 C ATOM 2075 CD GLU A 133 -9.613 -17.387 2.117 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -8.474 -16.968 1.996 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.987 -18.472 1.703 1.00 0.00 O ATOM 0 H GLU A 133 -9.069 -12.481 3.961 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.684 -15.264 3.651 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.298 -14.442 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.288 -14.967 1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.531 -16.600 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.646 -16.809 2.573 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.929 -14.122 2.212 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.947 -13.519 1.264 1.00 0.01 C ATOM 2086 C GLY A 134 -5.748 -12.036 1.600 1.00 0.01 C ATOM 2087 O GLY A 134 -6.260 -11.541 2.584 1.00 0.01 O ATOM 0 H GLY A 134 -6.533 -14.774 2.889 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.995 -14.047 1.326 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.304 -13.625 0.239 1.00 0.01 H new ATOM 2091 N THR A 135 -5.002 -11.325 0.787 1.00 0.01 N ATOM 2092 CA THR A 135 -4.755 -9.866 1.041 1.00 0.01 C ATOM 2093 C THR A 135 -5.461 -9.041 -0.042 1.00 0.01 C ATOM 2094 O THR A 135 -5.553 -9.453 -1.182 1.00 0.01 O ATOM 2095 CB THR A 135 -3.247 -9.591 0.991 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.559 -10.599 1.718 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.949 -8.221 1.608 1.00 2.30 C ATOM 0 H THR A 135 -4.549 -11.695 -0.049 1.00 0.01 H new ATOM 0 HA THR A 135 -5.142 -9.591 2.022 1.00 0.01 H new ATOM 0 HB THR A 135 -2.914 -9.597 -0.047 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.595 -10.426 1.685 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.876 -8.030 1.570 1.00 2.30 H new ATOM 0 HG22 THR A 135 -3.475 -7.448 1.048 1.00 2.30 H new ATOM 0 HG23 THR A 135 -3.283 -8.209 2.645 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.973 -7.886 0.314 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.697 -7.022 -0.680 1.00 0.01 C ATOM 2107 C TRP A 136 -6.153 -5.590 -0.634 1.00 0.01 C ATOM 2108 O TRP A 136 -5.790 -5.083 0.407 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.188 -6.999 -0.332 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.821 -8.301 -0.714 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.812 -9.423 0.042 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.554 -8.631 -1.929 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.501 -10.418 -0.630 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.972 -9.980 -1.850 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.893 -7.899 -3.080 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.701 -10.580 -2.878 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.625 -8.501 -4.116 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.028 -9.839 -4.014 1.00 0.01 C ATOM 0 H TRP A 136 -5.921 -7.500 1.257 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.548 -7.430 -1.680 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.318 -6.821 0.735 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.680 -6.179 -0.855 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.344 -9.525 1.010 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.643 -11.361 -0.267 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.588 -6.867 -3.168 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -11.010 -11.611 -2.795 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.879 -7.929 -4.996 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.591 -10.296 -4.814 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.128 -4.916 -1.757 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.654 -3.496 -1.791 1.00 0.00 C ATOM 2131 C ILE A 137 -6.822 -2.631 -2.258 1.00 0.01 C ATOM 2132 O ILE A 137 -7.545 -3.003 -3.154 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.512 -3.353 -2.803 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.427 -4.393 -2.517 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.904 -1.951 -2.694 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.248 -4.165 -3.469 1.00 1.69 C ATOM 0 H ILE A 137 -6.418 -5.291 -2.660 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.302 -3.194 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.907 -3.508 -3.807 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.095 -4.314 -1.482 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.827 -5.399 -2.648 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.092 -1.850 -3.414 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.670 -1.205 -2.904 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.517 -1.800 -1.686 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.471 -4.903 -3.270 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.588 -4.265 -4.500 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.845 -3.164 -3.316 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.976 -1.457 -1.685 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.074 -0.520 -2.122 1.00 0.01 C ATOM 2150 C PHE A 138 -7.415 0.713 -2.747 1.00 0.01 C ATOM 2151 O PHE A 138 -6.380 1.160 -2.299 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.993 -0.165 -0.912 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.698 1.191 -0.267 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.853 2.394 -0.985 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.309 1.242 1.080 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.605 3.621 -0.361 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.068 2.473 1.699 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.212 3.660 0.979 1.00 2.49 C ATOM 0 H PHE A 138 -6.388 -1.104 -0.930 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.719 -0.986 -2.867 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.031 -0.177 -1.245 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.892 -0.943 -0.155 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.164 2.368 -2.019 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.195 0.327 1.642 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.718 4.540 -0.916 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.770 2.505 2.737 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.020 4.609 1.458 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.015 1.268 -3.778 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.444 2.484 -4.445 1.00 0.01 C ATOM 2170 C TYR A 139 -8.487 3.606 -4.417 1.00 0.01 C ATOM 2171 O TYR A 139 -9.684 3.366 -4.500 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.086 2.156 -5.899 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.246 0.897 -5.949 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.841 -0.347 -5.715 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.879 0.971 -6.241 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.073 -1.516 -5.769 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.109 -0.199 -6.294 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.707 -1.442 -6.058 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.950 -2.594 -6.113 1.00 0.00 O ATOM 0 H TYR A 139 -8.884 0.926 -4.188 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.545 2.802 -3.918 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.995 2.021 -6.485 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.539 2.987 -6.345 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.896 -0.406 -5.492 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.417 1.930 -6.425 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.535 -2.475 -5.587 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.054 -0.141 -6.517 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.076 -2.431 -5.700 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.045 4.823 -4.249 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.994 5.969 -4.133 1.00 0.02 C ATOM 2191 C GLU A 140 -9.634 6.323 -5.481 1.00 0.01 C ATOM 2192 O GLU A 140 -10.743 6.816 -5.508 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.200 7.173 -3.626 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.146 8.357 -3.418 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.412 9.474 -2.676 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.406 9.181 -2.051 1.00 0.02 O ATOM 2197 OE2 GLU A 140 -8.867 10.603 -2.744 1.00 0.01 O ATOM 0 H GLU A 140 -7.059 5.075 -4.187 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.799 5.696 -3.451 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.700 6.924 -2.690 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.422 7.437 -4.342 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.506 8.721 -4.380 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.020 8.042 -2.849 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.969 6.103 -6.596 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.583 6.461 -7.923 1.00 0.02 C ATOM 2206 C LEU A 141 -9.809 5.172 -8.739 1.00 0.01 C ATOM 2207 O LEU A 141 -9.106 4.192 -8.552 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.611 7.389 -8.680 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.786 8.848 -8.204 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.506 9.642 -8.482 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.955 9.516 -8.944 1.00 1.24 C ATOM 0 H LEU A 141 -8.036 5.695 -6.646 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.537 6.966 -7.775 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.584 7.065 -8.513 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.796 7.324 -9.752 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.993 8.839 -7.134 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.635 10.670 -8.144 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.672 9.187 -7.948 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.299 9.635 -9.552 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.065 10.544 -8.597 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.756 9.514 -10.016 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.874 8.965 -8.745 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.773 5.165 -9.647 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.055 3.954 -10.471 1.00 0.01 C ATOM 2225 C PRO A 142 -9.813 3.442 -11.208 1.00 0.01 C ATOM 2226 O PRO A 142 -8.802 4.105 -11.318 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.130 4.453 -11.463 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.350 5.959 -11.222 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.649 6.345 -9.912 1.00 0.01 C ATOM 0 HA PRO A 142 -11.377 3.106 -9.867 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.810 4.276 -12.490 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.062 3.906 -11.320 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.948 6.539 -12.053 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.415 6.182 -11.163 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.071 7.263 -10.018 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.362 6.509 -9.104 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.927 2.253 -11.730 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.814 1.635 -12.499 1.00 0.01 C ATOM 2239 C ASN A 143 -7.558 1.504 -11.638 1.00 0.01 C ATOM 2240 O ASN A 143 -6.447 1.536 -12.126 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.499 2.503 -13.719 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.803 2.914 -14.407 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -9.932 4.028 -14.873 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -10.780 2.055 -14.489 1.00 0.56 N ATOM 0 H ASN A 143 -10.762 1.673 -11.654 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.124 0.639 -12.813 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.942 3.389 -13.414 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.866 1.953 -14.416 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -11.654 2.318 -14.945 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -10.671 1.120 -14.097 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.739 1.318 -10.358 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.577 1.137 -9.440 1.00 0.02 C ATOM 2253 C TYR A 144 -5.626 2.338 -9.516 1.00 0.01 C ATOM 2254 O TYR A 144 -4.436 2.180 -9.704 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.828 -0.151 -9.829 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.819 -1.155 -10.382 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.923 -1.542 -9.611 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.642 -1.689 -11.667 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.846 -2.463 -10.122 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.567 -2.607 -12.177 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.668 -2.994 -11.406 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.578 -3.899 -11.910 1.00 0.01 O ATOM 0 H TYR A 144 -8.652 1.283 -9.905 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.943 1.061 -8.416 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.062 0.070 -10.573 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.318 -0.566 -8.960 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.062 -1.130 -8.622 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.792 -1.392 -12.263 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.695 -2.764 -9.526 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.431 -3.017 -13.167 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.307 -4.167 -12.813 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.145 3.534 -9.366 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.271 4.758 -9.424 1.00 0.01 C ATOM 2274 C ARG A 145 -5.456 5.588 -8.152 1.00 0.01 C ATOM 2275 O ARG A 145 -6.395 5.394 -7.405 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.673 5.615 -10.628 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.441 4.825 -11.918 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.611 5.754 -13.122 1.00 0.01 C ATOM 2279 NE ARG A 145 -4.463 6.702 -13.185 1.00 0.01 N ATOM 2280 CZ ARG A 145 -4.239 7.385 -14.273 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -5.021 7.238 -15.309 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -3.232 8.212 -14.328 1.00 0.01 N ATOM 0 H ARG A 145 -7.135 3.719 -9.206 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.230 4.446 -9.514 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.721 5.903 -10.549 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.090 6.536 -10.643 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.441 4.392 -11.917 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -6.147 3.997 -11.982 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -5.665 5.170 -14.041 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -6.548 6.305 -13.040 1.00 0.01 H new ATOM 0 HE ARG A 145 -3.852 6.817 -12.376 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -5.807 6.589 -15.267 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -4.846 7.772 -16.160 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -2.620 8.324 -13.520 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -3.057 8.746 -15.179 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.553 6.502 -7.880 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.664 7.338 -6.648 1.00 0.02 C ATOM 2298 C GLY A 146 -3.939 6.652 -5.486 1.00 0.01 C ATOM 2299 O GLY A 146 -3.166 5.733 -5.675 1.00 0.02 O ATOM 0 H GLY A 146 -3.741 6.703 -8.464 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.233 8.323 -6.826 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.713 7.490 -6.395 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.185 7.101 -4.287 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.514 6.491 -3.103 1.00 0.01 C ATOM 2305 C ARG A 147 -4.035 5.067 -2.922 1.00 0.01 C ATOM 2306 O ARG A 147 -5.195 4.774 -3.150 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.842 7.322 -1.860 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.041 6.794 -0.669 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.255 7.710 0.537 1.00 0.01 C ATOM 2310 NE ARG A 147 -4.712 7.822 0.822 1.00 0.02 N ATOM 2311 CZ ARG A 147 -5.117 8.298 1.967 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.247 8.670 2.864 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -6.395 8.400 2.214 1.00 0.02 N ATOM 0 H ARG A 147 -4.824 7.867 -4.074 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.434 6.470 -3.250 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.603 8.371 -2.037 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.910 7.270 -1.646 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.355 5.778 -0.428 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -1.982 6.749 -0.921 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.733 7.312 1.407 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.836 8.696 0.337 1.00 0.01 H new ATOM 0 HE ARG A 147 -5.393 7.527 0.122 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -3.249 8.589 2.671 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.565 9.042 3.759 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -7.075 8.108 1.512 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -6.713 8.772 3.109 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.152 4.171 -2.545 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.519 2.734 -2.373 1.00 0.01 C ATOM 2329 C GLN A 148 -3.297 2.325 -0.910 1.00 0.01 C ATOM 2330 O GLN A 148 -2.416 2.829 -0.244 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.590 1.904 -3.281 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.229 2.714 -4.530 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.594 1.792 -5.572 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -0.864 0.881 -5.232 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.844 1.990 -6.836 1.00 0.01 N ATOM 0 H GLN A 148 -2.174 4.383 -2.346 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.564 2.568 -2.635 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.685 1.631 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.082 0.975 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.122 3.184 -4.942 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.538 3.515 -4.269 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -2.456 2.754 -7.121 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -1.427 1.381 -7.540 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.084 1.406 -0.417 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.934 0.929 0.998 1.00 0.01 C ATOM 2346 C TYR A 149 -3.865 -0.607 1.004 1.00 0.01 C ATOM 2347 O TYR A 149 -4.542 -1.259 0.233 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.141 1.407 1.825 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.723 1.682 3.258 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.342 0.623 4.092 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.717 2.995 3.751 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.957 0.874 5.414 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.330 3.246 5.074 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.952 2.185 5.905 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.570 2.432 7.208 1.00 0.01 O ATOM 0 H TYR A 149 -4.836 0.957 -0.939 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.021 1.332 1.435 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.559 2.311 1.381 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.925 0.650 1.807 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.345 -0.389 3.714 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.011 3.813 3.110 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.664 0.056 6.055 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.323 4.258 5.452 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.165 3.322 7.267 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.054 -1.186 1.855 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.940 -2.680 1.897 1.00 0.01 C ATOM 2367 C LEU A 150 -3.852 -3.227 3.002 1.00 0.01 C ATOM 2368 O LEU A 150 -3.724 -2.877 4.159 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.474 -3.040 2.178 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.261 -4.575 2.086 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.110 -4.875 1.477 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -1.329 -5.215 3.484 1.00 0.01 C ATOM 0 H LEU A 150 -2.465 -0.689 2.523 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.248 -3.120 0.948 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.826 -2.534 1.462 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.191 -2.687 3.170 1.00 0.01 H new ATOM 0 HG LEU A 150 -2.049 -4.990 1.458 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.253 -5.954 1.416 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.166 -4.444 0.477 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.889 -4.441 2.104 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -1.177 -6.291 3.399 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -0.552 -4.788 4.118 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -2.306 -5.020 3.926 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.781 -4.082 2.646 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.725 -4.663 3.651 1.00 0.01 C ATOM 2386 C LEU A 151 -5.356 -6.116 3.960 1.00 0.01 C ATOM 2387 O LEU A 151 -5.090 -6.901 3.071 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.144 -4.627 3.079 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.427 -3.243 2.486 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.899 -3.162 2.071 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.122 -2.161 3.532 1.00 0.01 C ATOM 0 H LEU A 151 -4.926 -4.405 1.690 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.665 -4.078 4.569 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.256 -5.392 2.311 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.868 -4.853 3.862 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.794 -3.083 1.613 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.104 -2.178 1.648 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.109 -3.928 1.325 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.532 -3.321 2.944 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.324 -1.178 3.108 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.752 -2.314 4.408 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.073 -2.222 3.823 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.382 -6.483 5.217 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.078 -7.893 5.615 1.00 0.01 C ATOM 2405 C ASP A 152 -6.378 -8.543 6.096 1.00 0.00 C ATOM 2406 O ASP A 152 -7.385 -7.879 6.243 1.00 0.01 O ATOM 2407 CB ASP A 152 -4.059 -7.891 6.754 1.00 1.04 C ATOM 2408 CG ASP A 152 -3.525 -9.308 6.965 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -3.841 -10.167 6.158 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -2.811 -9.509 7.933 1.00 1.57 O ATOM 0 H ASP A 152 -5.603 -5.859 5.993 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.667 -8.446 4.770 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -3.238 -7.213 6.520 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -4.523 -7.526 7.670 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.376 -9.825 6.343 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.630 -10.486 6.813 1.00 0.01 C ATOM 2417 C LYS A 153 -8.095 -9.802 8.104 1.00 0.01 C ATOM 2418 O LYS A 153 -7.785 -10.245 9.193 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.359 -11.970 7.078 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.972 -12.126 7.706 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.827 -13.537 8.284 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.489 -13.659 9.017 1.00 1.09 C ATOM 2423 NZ LYS A 153 -4.250 -15.083 9.389 1.00 1.84 N ATOM 0 H LYS A 153 -5.569 -10.440 6.241 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.405 -10.399 6.052 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.120 -12.377 7.743 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.415 -12.534 6.147 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.200 -11.947 6.957 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.832 -11.384 8.492 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.648 -13.746 8.969 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.883 -14.276 7.484 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.680 -13.298 8.381 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.494 -13.035 9.911 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -3.341 -15.164 9.887 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -5.016 -15.413 10.011 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -4.227 -15.667 8.529 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.812 -8.709 7.993 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.271 -7.971 9.225 1.00 0.01 C ATOM 2439 C LYS A 154 -10.734 -7.537 9.110 1.00 0.01 C ATOM 2440 O LYS A 154 -11.324 -7.570 8.046 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.397 -6.729 9.418 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.984 -7.156 9.814 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.069 -5.926 9.867 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.780 -6.281 10.608 1.00 1.44 C ATOM 2445 NZ LYS A 154 -5.063 -6.414 12.064 1.00 2.28 N ATOM 0 H LYS A 154 -9.101 -8.293 7.108 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.181 -8.644 10.077 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.367 -6.146 8.498 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.824 -6.087 10.189 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -7.002 -7.650 10.785 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.597 -7.879 9.096 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -5.839 -5.587 8.857 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.576 -5.104 10.371 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.370 -7.214 10.220 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.028 -5.509 10.442 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -4.186 -6.266 12.603 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -5.767 -5.703 12.347 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -5.434 -7.366 12.260 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.307 -7.088 10.213 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.721 -6.599 10.216 1.00 0.01 C ATOM 2461 C GLU A 155 -12.700 -5.088 10.489 1.00 0.01 C ATOM 2462 O GLU A 155 -12.365 -4.654 11.573 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.504 -7.323 11.322 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.586 -7.566 12.522 1.00 0.01 C ATOM 2465 CD GLU A 155 -13.424 -7.982 13.733 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -14.195 -7.163 14.210 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -13.281 -9.114 14.163 1.00 0.01 O ATOM 0 H GLU A 155 -10.842 -7.042 11.120 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.201 -6.798 9.258 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.364 -6.726 11.624 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.890 -8.271 10.948 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.859 -8.343 12.285 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -12.022 -6.662 12.750 1.00 0.01 H new ATOM 2474 N TYR A 156 -13.034 -4.282 9.512 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.010 -2.794 9.714 1.00 0.01 C ATOM 2476 C TYR A 156 -14.425 -2.273 9.962 1.00 0.01 C ATOM 2477 O TYR A 156 -15.289 -2.407 9.122 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.428 -2.137 8.463 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.032 -2.661 8.222 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.937 -2.045 8.841 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.830 -3.763 7.382 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.642 -2.530 8.620 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.534 -4.247 7.161 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.440 -3.630 7.780 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.163 -4.106 7.562 1.00 0.01 O ATOM 0 H TYR A 156 -13.323 -4.587 8.582 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.395 -2.553 10.581 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.061 -2.348 7.601 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.405 -1.054 8.585 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.092 -1.195 9.489 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.673 -4.240 6.905 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.799 -2.054 9.098 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.379 -5.097 6.513 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.200 -4.874 6.955 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.685 -1.722 11.124 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.066 -1.239 11.438 1.00 0.01 C ATOM 2497 C ARG A 157 -16.240 0.240 11.077 1.00 0.00 C ATOM 2498 O ARG A 157 -17.343 0.684 10.824 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.324 -1.425 12.935 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.156 -0.840 13.732 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.540 -0.768 15.212 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.368 -0.305 16.007 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.531 0.112 17.233 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -15.722 0.129 17.765 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.502 0.513 17.927 1.00 0.01 N ATOM 0 H ARG A 157 -14.000 -1.586 11.868 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.777 -1.817 10.847 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.254 -0.932 13.218 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.441 -2.484 13.166 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.268 -1.459 13.605 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.908 0.154 13.360 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.378 -0.085 15.348 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -15.867 -1.747 15.562 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.436 -0.314 15.592 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.527 -0.184 17.223 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -15.848 0.455 18.723 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.571 0.501 17.512 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -13.629 0.839 18.885 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.179 1.014 11.046 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.305 2.469 10.690 1.00 0.01 C ATOM 2521 C LYS A 158 -14.333 2.780 9.535 1.00 0.01 C ATOM 2522 O LYS A 158 -13.316 2.134 9.406 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.932 3.309 11.921 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.124 3.374 12.880 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.731 4.157 14.133 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.986 4.497 14.937 1.00 2.13 C ATOM 2527 NZ LYS A 158 -17.797 5.498 14.189 1.00 2.54 N ATOM 0 H LYS A 158 -14.230 0.702 11.252 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.324 2.703 10.383 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.071 2.871 12.425 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.644 4.315 11.614 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.972 3.853 12.390 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.440 2.367 13.152 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -15.045 3.569 14.742 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.206 5.071 13.854 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.573 3.596 15.114 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -16.709 4.894 15.914 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -17.929 6.347 14.776 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -17.304 5.757 13.311 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -18.725 5.090 13.958 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.605 3.775 8.714 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.665 4.117 7.608 1.00 0.02 C ATOM 2543 C PRO A 159 -12.293 4.512 8.173 1.00 0.01 C ATOM 2544 O PRO A 159 -11.267 4.119 7.652 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.374 5.297 6.919 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.541 5.745 7.819 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.832 4.615 8.819 1.00 0.28 C ATOM 0 HA PRO A 159 -13.461 3.294 6.923 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.677 6.120 6.761 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.743 4.999 5.938 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.284 6.664 8.347 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.425 5.959 7.218 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.980 4.995 9.830 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.730 4.058 8.553 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.253 5.280 9.225 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.934 5.671 9.793 1.00 0.02 C ATOM 2557 C VAL A 160 -10.189 4.403 10.212 1.00 0.02 C ATOM 2558 O VAL A 160 -8.983 4.398 10.348 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.152 6.572 11.011 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.803 6.873 11.665 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -11.807 7.882 10.565 1.00 0.74 C ATOM 0 H VAL A 160 -13.069 5.651 9.712 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.350 6.214 9.050 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.801 6.068 11.728 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.955 7.515 12.533 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.335 5.940 11.980 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.156 7.379 10.948 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -11.963 8.524 11.432 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.158 8.388 9.850 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.767 7.667 10.095 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.891 3.320 10.410 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.198 2.065 10.808 1.00 0.01 C ATOM 2573 C ASP A 161 -9.297 1.592 9.664 1.00 0.01 C ATOM 2574 O ASP A 161 -8.408 0.786 9.855 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.232 0.980 11.120 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.553 -0.178 11.856 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.334 -0.199 11.893 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.265 -1.026 12.370 1.00 0.00 O ATOM 0 H ASP A 161 -11.904 3.251 10.314 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.594 2.255 11.695 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.034 1.393 11.732 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.687 0.621 10.197 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.509 2.105 8.475 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.653 1.705 7.314 1.00 0.01 C ATOM 2585 C TRP A 162 -7.528 2.741 7.179 1.00 0.01 C ATOM 2586 O TRP A 162 -6.792 2.735 6.211 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.494 1.737 6.005 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.807 0.373 5.444 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.040 -0.750 5.517 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.975 0.006 4.655 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.687 -1.775 4.846 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.879 -1.356 4.297 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.107 0.726 4.229 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.868 -1.984 3.539 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.102 0.098 3.465 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -12.983 -1.252 3.120 1.00 0.01 C ATOM 0 H TRP A 162 -10.239 2.784 8.259 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.258 0.702 7.474 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.429 2.262 6.199 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.955 2.313 5.253 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.085 -0.829 6.016 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.325 -2.725 4.768 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.210 1.768 4.492 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.773 -3.028 3.278 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.965 0.661 3.141 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.752 -1.729 2.530 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.369 3.617 8.126 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.278 4.619 8.015 1.00 0.01 C ATOM 2609 C GLY A 163 -6.678 5.711 7.022 1.00 0.01 C ATOM 2610 O GLY A 163 -5.867 6.512 6.600 1.00 0.01 O ATOM 0 H GLY A 163 -7.943 3.683 8.967 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.075 5.059 8.991 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.359 4.134 7.686 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.925 5.724 6.620 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.393 6.735 5.622 1.00 0.02 C ATOM 2616 C ALA A 164 -9.117 7.877 6.329 1.00 0.01 C ATOM 2617 O ALA A 164 -9.841 7.680 7.286 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.383 6.058 4.674 1.00 0.01 C ATOM 0 H ALA A 164 -8.642 5.074 6.942 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.533 7.128 5.080 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.735 6.781 3.939 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.890 5.231 4.163 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.231 5.678 5.244 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.921 9.073 5.852 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.587 10.254 6.467 1.00 0.01 C ATOM 2626 C ALA A 165 -10.998 10.413 5.893 1.00 0.02 C ATOM 2627 O ALA A 165 -11.777 11.213 6.376 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.781 11.518 6.163 1.00 0.59 C ATOM 0 H ALA A 165 -8.322 9.285 5.054 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.645 10.104 7.545 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.272 12.380 6.615 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.776 11.416 6.573 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.720 11.660 5.084 1.00 0.59 H new ATOM 2634 N SER A 166 -11.352 9.654 4.882 1.00 0.01 N ATOM 2635 CA SER A 166 -12.726 9.755 4.297 1.00 0.01 C ATOM 2636 C SER A 166 -13.179 8.348 3.851 1.00 0.02 C ATOM 2637 O SER A 166 -12.353 7.532 3.489 1.00 0.01 O ATOM 2638 CB SER A 166 -12.697 10.689 3.085 1.00 0.72 C ATOM 2639 OG SER A 166 -12.555 12.032 3.529 1.00 0.87 O ATOM 0 H SER A 166 -10.745 8.966 4.436 1.00 0.01 H new ATOM 0 HA SER A 166 -13.419 10.152 5.039 1.00 0.01 H new ATOM 0 HB2 SER A 166 -11.871 10.423 2.426 1.00 0.72 H new ATOM 0 HB3 SER A 166 -13.614 10.580 2.506 1.00 0.72 H new ATOM 0 HG SER A 166 -12.534 12.632 2.755 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.467 8.047 3.852 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.937 6.695 3.410 1.00 0.01 C ATOM 2647 C PRO A 167 -14.907 6.540 1.881 1.00 0.01 C ATOM 2648 O PRO A 167 -15.619 5.728 1.319 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.386 6.692 3.921 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.814 8.157 4.080 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.540 8.993 4.289 1.00 0.22 C ATOM 0 HA PRO A 167 -14.316 5.881 3.784 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.040 6.174 3.220 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.457 6.165 4.872 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.354 8.496 3.196 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.489 8.269 4.928 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.548 9.904 3.691 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.417 9.296 5.329 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.123 7.334 1.201 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.100 7.245 -0.288 1.00 0.01 C ATOM 2661 C ALA A 168 -13.173 6.124 -0.775 1.00 0.01 C ATOM 2662 O ALA A 168 -11.999 6.072 -0.472 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.605 8.576 -0.859 1.00 0.18 C ATOM 0 H ALA A 168 -13.503 8.034 1.608 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.112 7.025 -0.629 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.585 8.520 -1.947 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.276 9.377 -0.549 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.601 8.780 -0.488 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.738 5.239 -1.549 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.984 4.087 -2.126 1.00 0.01 C ATOM 2671 C ILE A 169 -13.587 3.809 -3.500 1.00 0.01 C ATOM 2672 O ILE A 169 -14.787 3.665 -3.627 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.167 2.867 -1.211 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.733 3.241 0.214 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.329 1.684 -1.721 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.696 1.991 1.095 1.00 3.99 C ATOM 0 H ILE A 169 -14.723 5.267 -1.814 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.919 4.301 -2.212 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.216 2.570 -1.211 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.749 3.710 0.192 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.425 3.971 0.634 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.470 0.827 -1.062 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.647 1.421 -2.730 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.275 1.963 -1.733 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.387 2.266 2.104 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.688 1.540 1.129 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.986 1.275 0.681 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.784 3.773 -4.543 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.335 3.553 -5.921 1.00 0.01 C ATOM 2690 C GLN A 170 -12.922 2.204 -6.520 1.00 0.02 C ATOM 2691 O GLN A 170 -13.565 1.737 -7.439 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.845 4.674 -6.841 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.304 6.025 -6.290 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.815 6.168 -6.487 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.554 6.313 -5.534 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.309 6.132 -7.693 1.00 5.17 N ATOM 0 H GLN A 170 -11.771 3.887 -4.497 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.422 3.554 -5.838 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.758 4.650 -6.914 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.235 4.529 -7.848 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.055 6.102 -5.232 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.782 6.834 -6.800 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -14.690 6.010 -8.494 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.315 6.226 -7.835 1.00 5.17 H new ATOM 2705 N SER A 171 -11.886 1.539 -6.060 1.00 0.01 N ATOM 2706 CA SER A 171 -11.545 0.228 -6.708 1.00 0.01 C ATOM 2707 C SER A 171 -10.729 -0.646 -5.747 1.00 0.01 C ATOM 2708 O SER A 171 -10.118 -0.162 -4.817 1.00 0.01 O ATOM 2709 CB SER A 171 -10.724 0.500 -7.970 1.00 0.01 C ATOM 2710 OG SER A 171 -10.499 -0.725 -8.657 1.00 0.02 O ATOM 0 H SER A 171 -11.281 1.832 -5.293 1.00 0.01 H new ATOM 0 HA SER A 171 -12.465 -0.298 -6.963 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.251 1.201 -8.617 1.00 0.01 H new ATOM 0 HB3 SER A 171 -9.773 0.963 -7.706 1.00 0.01 H new ATOM 0 HG SER A 171 -9.662 -0.667 -9.163 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.693 -1.940 -5.982 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.884 -2.833 -5.091 1.00 0.01 C ATOM 2718 C PHE A 172 -9.428 -4.082 -5.851 1.00 0.01 C ATOM 2719 O PHE A 172 -10.041 -4.497 -6.816 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.682 -3.229 -3.838 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.050 -3.779 -4.191 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.171 -5.055 -4.756 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.197 -3.022 -3.924 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.440 -5.569 -5.057 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.465 -3.539 -4.221 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.585 -4.811 -4.789 1.00 1.92 C ATOM 0 H PHE A 172 -11.183 -2.410 -6.743 1.00 0.01 H new ATOM 0 HA PHE A 172 -9.001 -2.279 -4.771 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.125 -3.976 -3.273 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.796 -2.360 -3.190 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.288 -5.642 -4.959 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.104 -2.038 -3.488 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.534 -6.551 -5.496 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.349 -2.955 -4.011 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.562 -5.209 -5.021 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.338 -4.680 -5.430 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.818 -5.894 -6.136 1.00 0.01 C ATOM 2738 C ARG A 173 -7.205 -6.877 -5.135 1.00 0.01 C ATOM 2739 O ARG A 173 -6.692 -6.499 -4.100 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.716 -5.485 -7.119 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.252 -4.491 -8.150 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.141 -4.151 -9.151 1.00 0.01 C ATOM 2743 NE ARG A 173 -5.208 -3.160 -8.545 1.00 0.01 N ATOM 2744 CZ ARG A 173 -4.036 -2.956 -9.083 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -3.679 -3.624 -10.145 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -3.220 -2.085 -8.555 1.00 0.01 N ATOM 0 H ARG A 173 -7.786 -4.379 -4.627 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.651 -6.364 -6.658 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.884 -5.039 -6.575 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.328 -6.368 -7.626 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.109 -4.917 -8.671 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.599 -3.585 -7.653 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -5.598 -5.055 -9.428 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -6.573 -3.746 -10.066 1.00 0.01 H new ATOM 0 HE ARG A 173 -5.484 -2.642 -7.711 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.316 -4.307 -10.556 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -2.763 -3.464 -10.564 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -3.498 -1.565 -7.723 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.304 -1.925 -8.974 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.243 -8.143 -5.453 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.650 -9.172 -4.552 1.00 0.01 C ATOM 2762 C ARG A 174 -5.167 -9.350 -4.896 1.00 0.01 C ATOM 2763 O ARG A 174 -4.781 -9.306 -6.048 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.367 -10.508 -4.752 1.00 0.01 C ATOM 2765 CG ARG A 174 -7.187 -10.973 -6.200 1.00 0.01 C ATOM 2766 CD ARG A 174 -8.155 -12.120 -6.492 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.759 -12.795 -7.760 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.244 -13.971 -8.055 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -9.078 -14.556 -7.239 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.896 -14.560 -9.166 1.00 0.01 N ATOM 0 H ARG A 174 -7.663 -8.511 -6.306 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.759 -8.849 -3.517 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.965 -11.254 -4.067 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.427 -10.402 -4.522 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.371 -10.145 -6.884 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -6.160 -11.299 -6.363 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -8.147 -12.835 -5.669 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -9.173 -11.739 -6.573 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.108 -12.338 -8.399 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.351 -14.095 -6.371 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.457 -15.475 -7.469 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.245 -14.102 -9.804 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.275 -15.479 -9.397 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.333 -9.571 -3.913 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.877 -9.776 -4.205 1.00 0.01 C ATOM 2786 C ILE A 175 -2.596 -11.275 -4.339 1.00 0.00 C ATOM 2787 O ILE A 175 -2.953 -12.057 -3.480 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.005 -9.215 -3.076 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.448 -7.793 -2.725 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.544 -9.185 -3.540 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.467 -7.185 -1.715 1.00 3.04 C ATOM 0 H ILE A 175 -4.591 -9.619 -2.927 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.637 -9.253 -5.131 1.00 0.01 H new ATOM 0 HB ILE A 175 -2.108 -9.849 -2.195 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.486 -7.180 -3.625 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.454 -7.807 -2.307 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.083 -8.787 -2.742 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.220 -10.196 -3.786 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.455 -8.551 -4.422 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.783 -6.172 -1.465 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.452 -7.794 -0.811 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.468 -7.157 -2.150 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.957 -11.680 -5.408 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.644 -13.132 -5.607 1.00 0.00 C ATOM 2805 C VAL A 176 -0.203 -13.282 -6.099 1.00 0.01 C ATOM 2806 O VAL A 176 0.308 -12.448 -6.819 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.585 -13.721 -6.658 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -2.432 -12.954 -7.973 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.236 -15.194 -6.883 1.00 1.89 C ATOM 0 H VAL A 176 -1.636 -11.065 -6.156 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.771 -13.657 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 176 -3.615 -13.638 -6.310 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -3.104 -13.376 -8.721 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.680 -11.905 -7.813 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.403 -13.034 -8.323 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -2.906 -15.616 -7.632 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -1.206 -15.275 -7.230 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -2.347 -15.741 -5.947 1.00 1.89 H new ATOM 2819 N GLU A 177 0.457 -14.341 -5.717 1.00 0.01 N ATOM 2820 CA GLU A 177 1.865 -14.549 -6.160 1.00 0.01 C ATOM 2821 C GLU A 177 1.931 -14.513 -7.689 1.00 0.01 C ATOM 2822 CB GLU A 177 2.361 -15.909 -5.660 1.00 2.15 C ATOM 2823 CG GLU A 177 3.879 -15.995 -5.838 1.00 3.19 C ATOM 2824 CD GLU A 177 4.564 -15.076 -4.825 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.784 -15.518 -3.708 1.00 4.89 O ATOM 2826 OE2 GLU A 177 4.858 -13.948 -5.182 1.00 4.77 O ATOM 0 H GLU A 177 0.081 -15.073 -5.115 1.00 0.01 H new ATOM 0 HA GLU A 177 2.495 -13.759 -5.751 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.099 -16.040 -4.610 1.00 2.15 H new ATOM 0 HB3 GLU A 177 1.873 -16.712 -6.213 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.215 -17.023 -5.698 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.154 -15.705 -6.852 1.00 3.19 H new