USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 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 NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 89 ASN : amide:sc= -2.05 K(o=-4.9,f=-8.3!) USER MOD Set 1.2: A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 108 HIS : no HD1:sc= -2.88! C(o=-4.9!,f=-6.3!) USER MOD Set 2.1: A 100 MET CE :methyl -149:sc= -3.14 (180deg=-7.15!) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 50 THR OG1 : rot -76:sc= -0.443 USER MOD Set 3.2: A 98 TYR OH : rot -25:sc= 1.24 USER MOD Set 4.1: A 85 SER OG : rot 161:sc= -1.41 USER MOD Set 4.2: A 87 ASN : amide:sc= -1.49 K(o=-2.9,f=-1.5) USER MOD Set 5.1: A 38 ASN : amide:sc= -1.54 K(o=-2.8,f=-4.3!) USER MOD Set 5.2: A 61 ASN : amide:sc= -1.26 K(o=-2.8,f=-0.83) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 1.19 (180deg=-0.703) USER MOD Single : A 3 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.19) USER MOD Single : A 8 SER OG : rot 167:sc= -3.41! USER MOD Single : A 13 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.9!) USER MOD Single : A 14 THR OG1 : rot 103:sc= 0.19 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -143:sc= -5.34! (180deg=-10.1!) USER MOD Single : A 22 GLN : amide:sc= -1.79 X(o=-1.8,f=-2!) USER MOD Single : A 32 GLN : amide:sc= -0.456 K(o=-0.46,f=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -8.11! C(o=-8.1!,f=-9.7!) USER MOD Single : A 42 TYR OH : rot -178:sc= 0.0518! USER MOD Single : A 43 ASN : amide:sc= -10.2! C(o=-10!,f=-20!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.021) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -168:sc= -1.05! USER MOD Single : A 72 SER OG : rot 180:sc=-0.00226 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 94 TYR OH : rot 156:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00517 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0773 USER MOD Single : A 104 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0222) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 160:sc= -0.992 (180deg=-1.22) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= -2.67 (180deg=-3.74) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 33:sc= -0.808 USER MOD Single : A 118 TYR OH : rot 17:sc= -2.48! USER MOD Single : A 123 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0473) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.861 12.341 10.999 1.00 0.00 N ATOM 2 CA MET A 1 8.042 11.826 9.614 1.00 0.00 C ATOM 3 C MET A 1 9.504 11.425 9.408 1.00 0.00 C ATOM 4 O MET A 1 10.160 11.881 8.493 1.00 0.00 O ATOM 5 CB MET A 1 7.666 12.918 8.610 1.00 0.00 C ATOM 6 CG MET A 1 8.429 14.203 8.941 1.00 0.00 C ATOM 7 SD MET A 1 7.395 15.269 9.975 1.00 0.00 S ATOM 8 CE MET A 1 6.710 16.283 8.642 1.00 0.00 C ATOM 0 H1 MET A 1 7.191 11.732 11.511 1.00 0.00 H new ATOM 0 H2 MET A 1 8.777 12.340 11.492 1.00 0.00 H new ATOM 0 H3 MET A 1 7.488 13.311 10.963 1.00 0.00 H new ATOM 0 HA MET A 1 7.401 10.957 9.462 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.903 12.593 7.597 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.592 13.102 8.642 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.357 13.964 9.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.702 14.723 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.030 17.024 9.061 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.520 16.790 8.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.167 15.647 7.943 1.00 0.00 H new ATOM 20 N GLU A 2 10.020 10.575 10.254 1.00 0.00 N ATOM 21 CA GLU A 2 11.439 10.144 10.110 1.00 0.00 C ATOM 22 C GLU A 2 11.524 8.622 10.226 1.00 0.00 C ATOM 23 O GLU A 2 10.531 7.947 10.414 1.00 0.00 O ATOM 24 CB GLU A 2 12.282 10.785 11.216 1.00 0.00 C ATOM 25 CG GLU A 2 12.442 12.279 10.936 1.00 0.00 C ATOM 26 CD GLU A 2 13.106 12.958 12.135 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.500 12.972 13.193 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.211 13.452 11.974 1.00 0.00 O ATOM 0 H GLU A 2 9.519 10.160 11.040 1.00 0.00 H new ATOM 0 HA GLU A 2 11.816 10.457 9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.805 10.635 12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.260 10.307 11.265 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.045 12.429 10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.468 12.729 10.744 1.00 0.00 H new ATOM 35 N HIS A 3 12.704 8.077 10.117 1.00 0.00 N ATOM 36 CA HIS A 3 12.853 6.598 10.223 1.00 0.00 C ATOM 37 C HIS A 3 12.083 5.924 9.087 1.00 0.00 C ATOM 38 O HIS A 3 11.600 4.820 9.232 1.00 0.00 O ATOM 39 CB HIS A 3 12.297 6.127 11.569 1.00 0.00 C ATOM 40 CG HIS A 3 12.964 4.839 11.965 1.00 0.00 C ATOM 41 ND1 HIS A 3 12.347 3.908 12.787 1.00 0.00 N ATOM 42 CD2 HIS A 3 14.193 4.313 11.660 1.00 0.00 C ATOM 43 CE1 HIS A 3 13.201 2.881 12.948 1.00 0.00 C ATOM 44 NE2 HIS A 3 14.342 3.076 12.282 1.00 0.00 N ATOM 0 H HIS A 3 13.571 8.591 9.959 1.00 0.00 H new ATOM 0 HA HIS A 3 13.908 6.332 10.152 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.469 6.887 12.331 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.219 5.984 11.499 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.933 4.786 11.032 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.990 2.005 13.544 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.149 2.453 12.238 1.00 0.00 H new ATOM 52 N VAL A 4 11.966 6.587 7.960 1.00 0.00 N ATOM 53 CA VAL A 4 11.234 6.018 6.791 1.00 0.00 C ATOM 54 C VAL A 4 9.929 5.352 7.251 1.00 0.00 C ATOM 55 O VAL A 4 9.439 5.595 8.335 1.00 0.00 O ATOM 56 CB VAL A 4 12.159 5.024 6.037 1.00 0.00 C ATOM 57 CG1 VAL A 4 11.989 3.573 6.528 1.00 0.00 C ATOM 58 CG2 VAL A 4 11.843 5.081 4.540 1.00 0.00 C ATOM 0 H VAL A 4 12.356 7.516 7.802 1.00 0.00 H new ATOM 0 HA VAL A 4 10.961 6.817 6.101 1.00 0.00 H new ATOM 0 HB VAL A 4 13.189 5.322 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.658 2.919 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.231 3.517 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.958 3.255 6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.489 4.385 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.801 4.806 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.014 6.092 4.170 1.00 0.00 H new ATOM 68 N ALA A 5 9.380 4.516 6.428 1.00 0.00 N ATOM 69 CA ALA A 5 8.118 3.815 6.788 1.00 0.00 C ATOM 70 C ALA A 5 8.376 2.918 8.008 1.00 0.00 C ATOM 71 O ALA A 5 9.153 3.253 8.879 1.00 0.00 O ATOM 72 CB ALA A 5 7.677 2.961 5.594 1.00 0.00 C ATOM 0 H ALA A 5 9.753 4.282 5.508 1.00 0.00 H new ATOM 0 HA ALA A 5 7.336 4.534 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.752 2.440 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.511 3.603 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.453 2.232 5.362 1.00 0.00 H new ATOM 78 N PHE A 6 7.746 1.772 8.069 1.00 0.00 N ATOM 79 CA PHE A 6 7.976 0.844 9.222 1.00 0.00 C ATOM 80 C PHE A 6 9.182 -0.046 8.913 1.00 0.00 C ATOM 81 O PHE A 6 9.142 -1.244 9.095 1.00 0.00 O ATOM 82 CB PHE A 6 6.748 -0.052 9.469 1.00 0.00 C ATOM 83 CG PHE A 6 5.987 -0.315 8.185 1.00 0.00 C ATOM 84 CD1 PHE A 6 6.641 -0.819 7.048 1.00 0.00 C ATOM 85 CD2 PHE A 6 4.617 -0.052 8.134 1.00 0.00 C ATOM 86 CE1 PHE A 6 5.918 -1.052 5.877 1.00 0.00 C ATOM 87 CE2 PHE A 6 3.904 -0.291 6.960 1.00 0.00 C ATOM 88 CZ PHE A 6 4.552 -0.789 5.838 1.00 0.00 C ATOM 0 H PHE A 6 7.082 1.437 7.371 1.00 0.00 H new ATOM 0 HA PHE A 6 8.155 1.443 10.115 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.068 -0.999 9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.088 0.425 10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.701 -1.026 7.080 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.109 0.337 9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.419 -1.437 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.844 -0.088 6.923 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.994 -0.973 4.932 1.00 0.00 H new ATOM 98 N GLY A 7 10.249 0.528 8.433 1.00 0.00 N ATOM 99 CA GLY A 7 11.443 -0.285 8.089 1.00 0.00 C ATOM 100 C GLY A 7 11.573 -0.344 6.564 1.00 0.00 C ATOM 101 O GLY A 7 12.269 -1.178 6.022 1.00 0.00 O ATOM 0 H GLY A 7 10.344 1.529 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.339 0.154 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.347 -1.290 8.499 1.00 0.00 H new ATOM 105 N SER A 8 10.903 0.541 5.866 1.00 0.00 N ATOM 106 CA SER A 8 10.983 0.539 4.383 1.00 0.00 C ATOM 107 C SER A 8 12.295 1.203 3.946 1.00 0.00 C ATOM 108 O SER A 8 12.962 1.854 4.726 1.00 0.00 O ATOM 109 CB SER A 8 9.794 1.314 3.808 1.00 0.00 C ATOM 110 OG SER A 8 9.912 2.685 4.161 1.00 0.00 O ATOM 0 H SER A 8 10.305 1.264 6.266 1.00 0.00 H new ATOM 0 HA SER A 8 10.956 -0.486 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.766 1.207 2.724 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.859 0.907 4.193 1.00 0.00 H new ATOM 0 HG SER A 8 9.281 3.215 3.630 1.00 0.00 H new ATOM 116 N GLU A 9 12.676 1.034 2.710 1.00 0.00 N ATOM 117 CA GLU A 9 13.952 1.643 2.224 1.00 0.00 C ATOM 118 C GLU A 9 13.652 2.770 1.235 1.00 0.00 C ATOM 119 O GLU A 9 13.816 2.605 0.043 1.00 0.00 O ATOM 120 CB GLU A 9 14.768 0.570 1.506 1.00 0.00 C ATOM 121 CG GLU A 9 15.952 0.154 2.381 1.00 0.00 C ATOM 122 CD GLU A 9 15.944 -1.363 2.564 1.00 0.00 C ATOM 123 OE1 GLU A 9 15.307 -1.824 3.496 1.00 0.00 O ATOM 124 OE2 GLU A 9 16.576 -2.039 1.768 1.00 0.00 O ATOM 0 H GLU A 9 12.159 0.499 2.012 1.00 0.00 H new ATOM 0 HA GLU A 9 14.505 2.043 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.141 -0.295 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.126 0.950 0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.887 0.470 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.892 0.648 3.351 1.00 0.00 H new ATOM 131 N ASP A 10 13.206 3.913 1.703 1.00 0.00 N ATOM 132 CA ASP A 10 12.892 5.030 0.755 1.00 0.00 C ATOM 133 C ASP A 10 11.999 4.471 -0.354 1.00 0.00 C ATOM 134 O ASP A 10 12.474 4.044 -1.389 1.00 0.00 O ATOM 135 CB ASP A 10 14.191 5.570 0.151 1.00 0.00 C ATOM 136 CG ASP A 10 13.977 7.004 -0.341 1.00 0.00 C ATOM 137 OD1 ASP A 10 12.833 7.427 -0.401 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.961 7.657 -0.647 1.00 0.00 O ATOM 0 H ASP A 10 13.047 4.119 2.689 1.00 0.00 H new ATOM 0 HA ASP A 10 12.384 5.842 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.987 5.546 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.510 4.936 -0.676 1.00 0.00 H new ATOM 143 N ILE A 11 10.722 4.421 -0.127 1.00 0.00 N ATOM 144 CA ILE A 11 9.816 3.835 -1.142 1.00 0.00 C ATOM 145 C ILE A 11 9.319 4.904 -2.091 1.00 0.00 C ATOM 146 O ILE A 11 9.526 4.824 -3.272 1.00 0.00 O ATOM 147 CB ILE A 11 8.630 3.180 -0.452 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.063 2.560 0.874 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.064 2.073 -1.334 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.153 1.536 0.591 1.00 0.00 C ATOM 0 H ILE A 11 10.266 4.761 0.719 1.00 0.00 H new ATOM 0 HA ILE A 11 10.369 3.088 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 11 7.875 3.945 -0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.433 3.331 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.214 2.085 1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.215 1.608 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.738 2.496 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.834 1.323 -1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.477 1.081 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.763 0.764 -0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.001 2.029 0.115 1.00 0.00 H new ATOM 162 N GLU A 12 8.654 5.908 -1.603 1.00 0.00 N ATOM 163 CA GLU A 12 8.139 6.952 -2.532 1.00 0.00 C ATOM 164 C GLU A 12 9.248 7.410 -3.500 1.00 0.00 C ATOM 165 O GLU A 12 8.976 7.900 -4.577 1.00 0.00 O ATOM 166 CB GLU A 12 7.613 8.147 -1.735 1.00 0.00 C ATOM 167 CG GLU A 12 8.755 8.768 -0.932 1.00 0.00 C ATOM 168 CD GLU A 12 9.236 10.042 -1.628 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.671 11.089 -1.361 1.00 0.00 O ATOM 170 OE2 GLU A 12 10.164 9.949 -2.415 1.00 0.00 O ATOM 0 H GLU A 12 8.445 6.053 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 12 7.324 6.525 -3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.185 8.888 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.815 7.828 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.419 8.998 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.577 8.058 -0.841 1.00 0.00 H new ATOM 177 N ASN A 13 10.494 7.233 -3.133 1.00 0.00 N ATOM 178 CA ASN A 13 11.603 7.636 -4.046 1.00 0.00 C ATOM 179 C ASN A 13 12.043 6.424 -4.880 1.00 0.00 C ATOM 180 O ASN A 13 12.365 6.547 -6.044 1.00 0.00 O ATOM 181 CB ASN A 13 12.787 8.143 -3.225 1.00 0.00 C ATOM 182 CG ASN A 13 13.467 9.294 -3.970 1.00 0.00 C ATOM 183 OD1 ASN A 13 13.101 9.611 -5.084 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.447 9.939 -3.398 1.00 0.00 N ATOM 0 H ASN A 13 10.788 6.828 -2.244 1.00 0.00 H new ATOM 0 HA ASN A 13 11.256 8.430 -4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.447 8.480 -2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.498 7.335 -3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.905 10.709 -3.886 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.755 9.674 -2.463 1.00 0.00 H new ATOM 191 N THR A 14 12.044 5.250 -4.298 1.00 0.00 N ATOM 192 CA THR A 14 12.445 4.035 -5.067 1.00 0.00 C ATOM 193 C THR A 14 11.343 3.764 -6.097 1.00 0.00 C ATOM 194 O THR A 14 11.571 3.764 -7.291 1.00 0.00 O ATOM 195 CB THR A 14 12.613 2.851 -4.079 1.00 0.00 C ATOM 196 OG1 THR A 14 13.950 2.835 -3.602 1.00 0.00 O ATOM 197 CG2 THR A 14 12.310 1.504 -4.756 1.00 0.00 C ATOM 0 H THR A 14 11.785 5.082 -3.326 1.00 0.00 H new ATOM 0 HA THR A 14 13.394 4.171 -5.585 1.00 0.00 H new ATOM 0 HB THR A 14 11.909 2.988 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.979 3.208 -2.696 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.438 0.697 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.283 1.504 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.994 1.355 -5.592 1.00 0.00 H new ATOM 205 N LEU A 15 10.152 3.549 -5.613 1.00 0.00 N ATOM 206 CA LEU A 15 8.966 3.287 -6.496 1.00 0.00 C ATOM 207 C LEU A 15 9.013 4.215 -7.719 1.00 0.00 C ATOM 208 O LEU A 15 8.610 3.852 -8.805 1.00 0.00 O ATOM 209 CB LEU A 15 7.659 3.586 -5.732 1.00 0.00 C ATOM 210 CG LEU A 15 7.625 2.894 -4.364 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.511 3.505 -3.516 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.358 1.400 -4.544 1.00 0.00 C ATOM 0 H LEU A 15 9.939 3.543 -4.615 1.00 0.00 H new ATOM 0 HA LEU A 15 8.995 2.242 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.556 4.663 -5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.807 3.256 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 15 8.586 3.032 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.484 3.015 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.699 4.570 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.554 3.366 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.335 0.914 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.399 1.259 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.150 0.959 -5.150 1.00 0.00 H new ATOM 224 N ALA A 16 9.499 5.416 -7.537 1.00 0.00 N ATOM 225 CA ALA A 16 9.570 6.375 -8.676 1.00 0.00 C ATOM 226 C ALA A 16 10.642 5.924 -9.669 1.00 0.00 C ATOM 227 O ALA A 16 10.376 5.739 -10.840 1.00 0.00 O ATOM 228 CB ALA A 16 9.925 7.766 -8.145 1.00 0.00 C ATOM 0 H ALA A 16 9.849 5.773 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 16 8.604 6.407 -9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.978 8.470 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.160 8.093 -7.440 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.890 7.727 -7.640 1.00 0.00 H new ATOM 234 N LYS A 17 11.852 5.749 -9.215 1.00 0.00 N ATOM 235 CA LYS A 17 12.935 5.317 -10.141 1.00 0.00 C ATOM 236 C LYS A 17 13.813 4.268 -9.458 1.00 0.00 C ATOM 237 O LYS A 17 14.834 4.580 -8.878 1.00 0.00 O ATOM 238 CB LYS A 17 13.792 6.526 -10.524 1.00 0.00 C ATOM 239 CG LYS A 17 14.579 6.213 -11.799 1.00 0.00 C ATOM 240 CD LYS A 17 14.062 7.085 -12.946 1.00 0.00 C ATOM 241 CE LYS A 17 14.434 6.444 -14.285 1.00 0.00 C ATOM 242 NZ LYS A 17 14.179 7.414 -15.389 1.00 0.00 N ATOM 0 H LYS A 17 12.137 5.886 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 17 12.489 4.886 -11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.158 7.399 -10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.477 6.771 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.641 6.398 -11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.474 5.158 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.980 7.196 -12.873 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.491 8.085 -12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.484 6.150 -14.280 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.850 5.537 -14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.432 6.979 -16.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.172 7.674 -15.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.755 8.267 -15.242 1.00 0.00 H new ATOM 256 N MET A 18 13.429 3.023 -9.530 1.00 0.00 N ATOM 257 CA MET A 18 14.251 1.955 -8.890 1.00 0.00 C ATOM 258 C MET A 18 14.934 1.118 -9.986 1.00 0.00 C ATOM 259 O MET A 18 14.915 1.473 -11.148 1.00 0.00 O ATOM 260 CB MET A 18 13.366 1.096 -7.950 1.00 0.00 C ATOM 261 CG MET A 18 12.739 -0.117 -8.661 1.00 0.00 C ATOM 262 SD MET A 18 11.608 0.434 -9.961 1.00 0.00 S ATOM 263 CE MET A 18 10.401 1.247 -8.886 1.00 0.00 C ATOM 0 H MET A 18 12.585 2.699 -10.002 1.00 0.00 H new ATOM 0 HA MET A 18 15.033 2.396 -8.272 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.968 0.748 -7.111 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.573 1.719 -7.537 1.00 0.00 H new ATOM 0 HG2 MET A 18 13.523 -0.740 -9.091 1.00 0.00 H new ATOM 0 HG3 MET A 18 12.202 -0.733 -7.939 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.397 1.085 -9.278 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.470 0.830 -7.881 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.608 2.317 -8.850 1.00 0.00 H new ATOM 273 N ASP A 19 15.552 0.025 -9.628 1.00 0.00 N ATOM 274 CA ASP A 19 16.253 -0.816 -10.648 1.00 0.00 C ATOM 275 C ASP A 19 15.297 -1.831 -11.280 1.00 0.00 C ATOM 276 O ASP A 19 15.706 -2.883 -11.729 1.00 0.00 O ATOM 277 CB ASP A 19 17.373 -1.578 -9.962 1.00 0.00 C ATOM 278 CG ASP A 19 18.701 -0.850 -10.173 1.00 0.00 C ATOM 279 OD1 ASP A 19 18.997 -0.517 -11.310 1.00 0.00 O ATOM 280 OD2 ASP A 19 19.400 -0.637 -9.197 1.00 0.00 O ATOM 0 H ASP A 19 15.603 -0.325 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 19 16.639 -0.162 -11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.163 -1.669 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.435 -2.590 -10.362 1.00 0.00 H new ATOM 285 N ASP A 20 14.038 -1.530 -11.320 1.00 0.00 N ATOM 286 CA ASP A 20 13.055 -2.477 -11.919 1.00 0.00 C ATOM 287 C ASP A 20 13.068 -3.784 -11.130 1.00 0.00 C ATOM 288 O ASP A 20 13.905 -4.639 -11.337 1.00 0.00 O ATOM 289 CB ASP A 20 13.432 -2.755 -13.376 1.00 0.00 C ATOM 290 CG ASP A 20 12.348 -3.620 -14.024 1.00 0.00 C ATOM 291 OD1 ASP A 20 11.184 -3.285 -13.877 1.00 0.00 O ATOM 292 OD2 ASP A 20 12.701 -4.602 -14.656 1.00 0.00 O ATOM 0 H ASP A 20 13.638 -0.663 -10.962 1.00 0.00 H new ATOM 0 HA ASP A 20 12.058 -2.038 -11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.539 -1.817 -13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.395 -3.263 -13.424 1.00 0.00 H new ATOM 297 N GLY A 21 12.147 -3.942 -10.222 1.00 0.00 N ATOM 298 CA GLY A 21 12.106 -5.191 -9.412 1.00 0.00 C ATOM 299 C GLY A 21 12.552 -4.891 -7.977 1.00 0.00 C ATOM 300 O GLY A 21 12.825 -5.787 -7.204 1.00 0.00 O ATOM 0 H GLY A 21 11.420 -3.260 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 21 11.097 -5.602 -9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 21 12.757 -5.945 -9.855 1.00 0.00 H new ATOM 304 N GLN A 22 12.629 -3.636 -7.613 1.00 0.00 N ATOM 305 CA GLN A 22 13.058 -3.288 -6.231 1.00 0.00 C ATOM 306 C GLN A 22 11.830 -2.929 -5.395 1.00 0.00 C ATOM 307 O GLN A 22 11.803 -3.122 -4.195 1.00 0.00 O ATOM 308 CB GLN A 22 14.010 -2.091 -6.281 1.00 0.00 C ATOM 309 CG GLN A 22 15.420 -2.545 -5.902 1.00 0.00 C ATOM 310 CD GLN A 22 16.425 -1.449 -6.265 1.00 0.00 C ATOM 311 OE1 GLN A 22 17.530 -1.737 -6.681 1.00 0.00 O ATOM 312 NE2 GLN A 22 16.086 -0.197 -6.126 1.00 0.00 N ATOM 0 H GLN A 22 12.413 -2.841 -8.214 1.00 0.00 H new ATOM 0 HA GLN A 22 13.568 -4.139 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.013 -1.656 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.670 -1.314 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.470 -2.759 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.669 -3.469 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.159 0.044 -5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.748 0.540 -6.366 1.00 0.00 H new ATOM 321 N LEU A 23 10.810 -2.408 -6.020 1.00 0.00 N ATOM 322 CA LEU A 23 9.584 -2.039 -5.259 1.00 0.00 C ATOM 323 C LEU A 23 8.825 -3.306 -4.864 1.00 0.00 C ATOM 324 O LEU A 23 8.012 -3.291 -3.967 1.00 0.00 O ATOM 325 CB LEU A 23 8.684 -1.145 -6.123 1.00 0.00 C ATOM 326 CG LEU A 23 8.189 -1.915 -7.354 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.766 -1.468 -7.695 1.00 0.00 C ATOM 328 CD2 LEU A 23 9.107 -1.624 -8.543 1.00 0.00 C ATOM 0 H LEU A 23 10.773 -2.222 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 23 9.870 -1.494 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.833 -0.799 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.235 -0.259 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 23 8.197 -2.984 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.413 -2.014 -8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.108 -1.672 -6.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.762 -0.399 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.755 -2.171 -9.417 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.098 -0.555 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.123 -1.938 -8.304 1.00 0.00 H new ATOM 340 N ASP A 24 9.084 -4.399 -5.527 1.00 0.00 N ATOM 341 CA ASP A 24 8.375 -5.666 -5.190 1.00 0.00 C ATOM 342 C ASP A 24 9.300 -6.588 -4.381 1.00 0.00 C ATOM 343 O ASP A 24 8.924 -7.683 -4.012 1.00 0.00 O ATOM 344 CB ASP A 24 7.971 -6.374 -6.487 1.00 0.00 C ATOM 345 CG ASP A 24 9.155 -6.398 -7.455 1.00 0.00 C ATOM 346 OD1 ASP A 24 9.959 -7.309 -7.355 1.00 0.00 O ATOM 347 OD2 ASP A 24 9.235 -5.504 -8.281 1.00 0.00 O ATOM 0 H ASP A 24 9.758 -4.470 -6.290 1.00 0.00 H new ATOM 0 HA ASP A 24 7.490 -5.435 -4.596 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.646 -7.392 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.126 -5.860 -6.945 1.00 0.00 H new ATOM 352 N GLY A 25 10.510 -6.166 -4.107 1.00 0.00 N ATOM 353 CA GLY A 25 11.445 -7.034 -3.335 1.00 0.00 C ATOM 354 C GLY A 25 11.503 -6.583 -1.873 1.00 0.00 C ATOM 355 O GLY A 25 12.506 -6.748 -1.207 1.00 0.00 O ATOM 0 H GLY A 25 10.888 -5.260 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.117 -8.072 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.441 -6.990 -3.776 1.00 0.00 H new ATOM 359 N LEU A 26 10.444 -6.017 -1.365 1.00 0.00 N ATOM 360 CA LEU A 26 10.453 -5.562 0.048 1.00 0.00 C ATOM 361 C LEU A 26 9.624 -6.532 0.889 1.00 0.00 C ATOM 362 O LEU A 26 9.101 -7.514 0.401 1.00 0.00 O ATOM 363 CB LEU A 26 9.831 -4.159 0.165 1.00 0.00 C ATOM 364 CG LEU A 26 10.174 -3.297 -1.060 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.184 -2.135 -1.155 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.591 -2.739 -0.915 1.00 0.00 C ATOM 0 H LEU A 26 9.573 -5.851 -1.870 1.00 0.00 H new ATOM 0 HA LEU A 26 11.484 -5.530 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.749 -4.245 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.194 -3.671 1.070 1.00 0.00 H new ATOM 0 HG LEU A 26 10.113 -3.908 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.425 -1.522 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.172 -2.527 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.249 -1.527 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.832 -2.128 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.651 -2.128 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.301 -3.563 -0.842 1.00 0.00 H new ATOM 378 N ALA A 27 9.484 -6.238 2.144 1.00 0.00 N ATOM 379 CA ALA A 27 8.667 -7.105 3.043 1.00 0.00 C ATOM 380 C ALA A 27 7.268 -6.488 3.195 1.00 0.00 C ATOM 381 O ALA A 27 6.434 -6.967 3.953 1.00 0.00 O ATOM 382 CB ALA A 27 9.339 -7.203 4.415 1.00 0.00 C ATOM 0 H ALA A 27 9.903 -5.426 2.596 1.00 0.00 H new ATOM 0 HA ALA A 27 8.584 -8.104 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.740 -7.837 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.334 -7.635 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.422 -6.208 4.851 1.00 0.00 H new ATOM 388 N PHE A 28 7.005 -5.422 2.481 1.00 0.00 N ATOM 389 CA PHE A 28 5.676 -4.774 2.573 1.00 0.00 C ATOM 390 C PHE A 28 5.186 -4.422 1.175 1.00 0.00 C ATOM 391 O PHE A 28 5.882 -3.792 0.403 1.00 0.00 O ATOM 392 CB PHE A 28 5.775 -3.489 3.398 1.00 0.00 C ATOM 393 CG PHE A 28 7.033 -2.727 3.029 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.234 -2.982 3.702 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.994 -1.762 2.017 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.395 -2.275 3.365 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.155 -1.054 1.680 1.00 0.00 C ATOM 398 CZ PHE A 28 9.357 -1.312 2.357 1.00 0.00 C ATOM 0 H PHE A 28 7.660 -4.977 1.839 1.00 0.00 H new ATOM 0 HA PHE A 28 4.980 -5.463 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.898 -2.866 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.785 -3.730 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.265 -3.727 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.069 -1.563 1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.320 -2.476 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.125 -0.309 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.252 -0.765 2.098 1.00 0.00 H new ATOM 408 N GLY A 29 3.987 -4.804 0.846 1.00 0.00 N ATOM 409 CA GLY A 29 3.457 -4.465 -0.499 1.00 0.00 C ATOM 410 C GLY A 29 3.361 -2.948 -0.605 1.00 0.00 C ATOM 411 O GLY A 29 2.696 -2.310 0.183 1.00 0.00 O ATOM 0 H GLY A 29 3.355 -5.333 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.112 -4.860 -1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.477 -4.919 -0.647 1.00 0.00 H new ATOM 415 N ALA A 30 4.008 -2.359 -1.571 1.00 0.00 N ATOM 416 CA ALA A 30 3.928 -0.882 -1.702 1.00 0.00 C ATOM 417 C ALA A 30 2.931 -0.568 -2.805 1.00 0.00 C ATOM 418 O ALA A 30 3.251 -0.612 -3.971 1.00 0.00 O ATOM 419 CB ALA A 30 5.309 -0.301 -2.038 1.00 0.00 C ATOM 0 H ALA A 30 4.583 -2.832 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 30 3.602 -0.433 -0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.235 0.783 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.012 -0.550 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.662 -0.723 -2.979 1.00 0.00 H new ATOM 425 N ILE A 31 1.706 -0.297 -2.447 1.00 0.00 N ATOM 426 CA ILE A 31 0.674 -0.031 -3.486 1.00 0.00 C ATOM 427 C ILE A 31 0.473 1.477 -3.680 1.00 0.00 C ATOM 428 O ILE A 31 0.612 2.260 -2.765 1.00 0.00 O ATOM 429 CB ILE A 31 -0.646 -0.706 -3.064 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.324 0.085 -1.938 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.346 -2.118 -2.553 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.499 0.883 -2.508 1.00 0.00 C ATOM 0 H ILE A 31 1.377 -0.249 -1.483 1.00 0.00 H new ATOM 0 HA ILE A 31 1.005 -0.444 -4.439 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.310 -0.740 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.675 -0.595 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.606 0.759 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.276 -2.601 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.126 -2.699 -3.345 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.326 -2.060 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.980 1.445 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.135 1.574 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.220 0.199 -2.955 1.00 0.00 H new ATOM 444 N GLN A 32 0.135 1.876 -4.874 1.00 0.00 N ATOM 445 CA GLN A 32 -0.095 3.316 -5.153 1.00 0.00 C ATOM 446 C GLN A 32 -1.573 3.509 -5.480 1.00 0.00 C ATOM 447 O GLN A 32 -2.294 2.558 -5.708 1.00 0.00 O ATOM 448 CB GLN A 32 0.754 3.751 -6.350 1.00 0.00 C ATOM 449 CG GLN A 32 2.223 3.845 -5.929 1.00 0.00 C ATOM 450 CD GLN A 32 2.649 5.313 -5.854 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.845 6.205 -6.034 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.895 5.603 -5.593 1.00 0.00 N ATOM 0 H GLN A 32 0.008 1.258 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 32 0.183 3.916 -4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.644 3.037 -7.166 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.409 4.716 -6.722 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.364 3.366 -4.960 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.850 3.311 -6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.572 4.855 -5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.192 6.578 -5.541 1.00 0.00 H new ATOM 461 N LEU A 33 -2.033 4.723 -5.508 1.00 0.00 N ATOM 462 CA LEU A 33 -3.467 4.961 -5.819 1.00 0.00 C ATOM 463 C LEU A 33 -3.624 6.374 -6.383 1.00 0.00 C ATOM 464 O LEU A 33 -3.004 7.303 -5.906 1.00 0.00 O ATOM 465 CB LEU A 33 -4.292 4.856 -4.533 1.00 0.00 C ATOM 466 CG LEU A 33 -4.376 3.396 -4.078 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.207 3.307 -2.795 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.040 2.554 -5.170 1.00 0.00 C ATOM 0 H LEU A 33 -1.480 5.561 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.811 4.222 -6.542 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.838 5.463 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.294 5.251 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.371 3.020 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.267 2.268 -2.471 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.736 3.904 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.211 3.686 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.098 1.516 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.045 2.932 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.450 2.614 -6.085 1.00 0.00 H new ATOM 480 N ASP A 34 -4.447 6.558 -7.379 1.00 0.00 N ATOM 481 CA ASP A 34 -4.622 7.933 -7.930 1.00 0.00 C ATOM 482 C ASP A 34 -6.075 8.370 -7.816 1.00 0.00 C ATOM 483 O ASP A 34 -6.975 7.668 -8.209 1.00 0.00 O ATOM 484 CB ASP A 34 -4.216 7.984 -9.392 1.00 0.00 C ATOM 485 CG ASP A 34 -3.705 9.385 -9.730 1.00 0.00 C ATOM 486 OD1 ASP A 34 -3.161 10.026 -8.845 1.00 0.00 O ATOM 487 OD2 ASP A 34 -3.869 9.796 -10.867 1.00 0.00 O ATOM 0 H ASP A 34 -4.999 5.828 -7.830 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.986 8.603 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.440 7.244 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.066 7.733 -10.026 1.00 0.00 H new ATOM 492 N GLY A 35 -6.248 9.556 -7.310 1.00 0.00 N ATOM 493 CA GLY A 35 -7.581 10.220 -7.125 1.00 0.00 C ATOM 494 C GLY A 35 -8.696 9.247 -6.740 1.00 0.00 C ATOM 495 O GLY A 35 -9.124 9.184 -5.605 1.00 0.00 O ATOM 0 H GLY A 35 -5.469 10.134 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.494 10.985 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.856 10.729 -8.049 1.00 0.00 H new ATOM 499 N ASP A 36 -9.183 8.517 -7.691 1.00 0.00 N ATOM 500 CA ASP A 36 -10.302 7.558 -7.432 1.00 0.00 C ATOM 501 C ASP A 36 -9.810 6.333 -6.654 1.00 0.00 C ATOM 502 O ASP A 36 -10.564 5.418 -6.390 1.00 0.00 O ATOM 503 CB ASP A 36 -10.892 7.103 -8.770 1.00 0.00 C ATOM 504 CG ASP A 36 -12.274 7.732 -8.960 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.456 8.856 -8.522 1.00 0.00 O ATOM 506 OD2 ASP A 36 -13.124 7.080 -9.542 1.00 0.00 O ATOM 0 H ASP A 36 -8.854 8.537 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.060 8.063 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.233 7.394 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.969 6.016 -8.794 1.00 0.00 H new ATOM 511 N GLY A 37 -8.563 6.297 -6.285 1.00 0.00 N ATOM 512 CA GLY A 37 -8.045 5.126 -5.530 1.00 0.00 C ATOM 513 C GLY A 37 -7.693 4.000 -6.506 1.00 0.00 C ATOM 514 O GLY A 37 -7.540 2.859 -6.118 1.00 0.00 O ATOM 0 H GLY A 37 -7.879 7.029 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.164 5.412 -4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.793 4.781 -4.816 1.00 0.00 H new ATOM 518 N ASN A 38 -7.550 4.309 -7.770 1.00 0.00 N ATOM 519 CA ASN A 38 -7.196 3.249 -8.755 1.00 0.00 C ATOM 520 C ASN A 38 -5.736 2.857 -8.548 1.00 0.00 C ATOM 521 O ASN A 38 -4.882 3.697 -8.347 1.00 0.00 O ATOM 522 CB ASN A 38 -7.393 3.776 -10.178 1.00 0.00 C ATOM 523 CG ASN A 38 -8.889 3.936 -10.461 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.573 4.671 -9.777 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.429 3.274 -11.447 1.00 0.00 N ATOM 0 H ASN A 38 -7.663 5.245 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.838 2.380 -8.610 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.885 4.733 -10.296 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.948 3.088 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.425 3.374 -11.643 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.855 2.657 -12.022 1.00 0.00 H new ATOM 532 N ILE A 39 -5.444 1.589 -8.566 1.00 0.00 N ATOM 533 CA ILE A 39 -4.042 1.147 -8.333 1.00 0.00 C ATOM 534 C ILE A 39 -3.113 1.644 -9.450 1.00 0.00 C ATOM 535 O ILE A 39 -3.400 1.529 -10.625 1.00 0.00 O ATOM 536 CB ILE A 39 -4.009 -0.409 -8.228 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.373 -0.816 -6.894 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.210 -1.058 -9.374 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.396 -1.580 -6.054 1.00 0.00 C ATOM 0 H ILE A 39 -6.115 0.839 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.681 1.578 -7.399 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.039 -0.760 -8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.496 -1.438 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.033 0.069 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.217 -2.141 -9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.665 -0.795 -10.329 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.182 -0.697 -9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.944 -1.870 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.260 -0.943 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.714 -2.473 -6.592 1.00 0.00 H new ATOM 551 N LEU A 40 -1.978 2.141 -9.067 1.00 0.00 N ATOM 552 CA LEU A 40 -0.965 2.596 -10.061 1.00 0.00 C ATOM 553 C LEU A 40 0.148 1.542 -10.075 1.00 0.00 C ATOM 554 O LEU A 40 0.809 1.316 -11.070 1.00 0.00 O ATOM 555 CB LEU A 40 -0.373 3.952 -9.643 1.00 0.00 C ATOM 556 CG LEU A 40 -1.402 4.769 -8.852 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.797 6.120 -8.473 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.645 4.991 -9.712 1.00 0.00 C ATOM 0 H LEU A 40 -1.700 2.255 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.421 2.713 -11.044 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.518 3.794 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.062 4.507 -10.528 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.678 4.228 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.528 6.701 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.090 5.962 -7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.521 6.662 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.377 5.572 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.369 5.532 -10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.077 4.028 -9.983 1.00 0.00 H new ATOM 570 N GLN A 41 0.339 0.897 -8.954 1.00 0.00 N ATOM 571 CA GLN A 41 1.379 -0.158 -8.817 1.00 0.00 C ATOM 572 C GLN A 41 1.018 -0.949 -7.537 1.00 0.00 C ATOM 573 O GLN A 41 0.204 -0.504 -6.758 1.00 0.00 O ATOM 574 CB GLN A 41 2.756 0.546 -8.748 1.00 0.00 C ATOM 575 CG GLN A 41 3.781 -0.253 -7.937 1.00 0.00 C ATOM 576 CD GLN A 41 3.766 0.206 -6.477 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.725 -0.002 -5.761 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.722 0.836 -5.998 1.00 0.00 N ATOM 0 H GLN A 41 -0.200 1.065 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 41 1.425 -0.857 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.135 0.697 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.634 1.533 -8.302 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.553 -1.317 -7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.777 -0.117 -8.359 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.915 1.013 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.717 1.150 -5.027 1.00 0.00 H new ATOM 587 N TYR A 42 1.557 -2.121 -7.320 1.00 0.00 N ATOM 588 CA TYR A 42 1.160 -2.892 -6.095 1.00 0.00 C ATOM 589 C TYR A 42 2.402 -3.445 -5.378 1.00 0.00 C ATOM 590 O TYR A 42 2.803 -2.920 -4.350 1.00 0.00 O ATOM 591 CB TYR A 42 0.226 -4.041 -6.518 1.00 0.00 C ATOM 592 CG TYR A 42 -0.679 -4.461 -5.375 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.604 -3.556 -4.836 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.611 -5.770 -4.874 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.460 -3.963 -3.800 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.464 -6.169 -3.837 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.386 -5.268 -3.304 1.00 0.00 C ATOM 598 OH TYR A 42 -3.230 -5.674 -2.297 1.00 0.00 O ATOM 0 H TYR A 42 2.243 -2.574 -7.923 1.00 0.00 H new ATOM 0 HA TYR A 42 0.641 -2.232 -5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.379 -3.727 -7.368 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.820 -4.894 -6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.658 -2.547 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.099 -6.470 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.176 -3.268 -3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.408 -7.176 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.023 -6.600 -2.050 1.00 0.00 H new ATOM 608 N ASN A 43 2.997 -4.501 -5.914 1.00 0.00 N ATOM 609 CA ASN A 43 4.217 -5.159 -5.308 1.00 0.00 C ATOM 610 C ASN A 43 3.985 -6.670 -5.321 1.00 0.00 C ATOM 611 O ASN A 43 2.866 -7.140 -5.249 1.00 0.00 O ATOM 612 CB ASN A 43 4.467 -4.669 -3.871 1.00 0.00 C ATOM 613 CG ASN A 43 5.534 -5.484 -3.153 1.00 0.00 C ATOM 614 OD1 ASN A 43 5.463 -6.683 -3.097 1.00 0.00 O ATOM 615 ND2 ASN A 43 6.502 -4.857 -2.551 1.00 0.00 N ATOM 0 H ASN A 43 2.676 -4.946 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 43 5.100 -4.898 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.770 -3.622 -3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.536 -4.719 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.204 -5.383 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.559 -3.840 -2.600 1.00 0.00 H new ATOM 622 N ALA A 44 5.030 -7.430 -5.425 1.00 0.00 N ATOM 623 CA ALA A 44 4.886 -8.917 -5.465 1.00 0.00 C ATOM 624 C ALA A 44 4.631 -9.451 -4.057 1.00 0.00 C ATOM 625 O ALA A 44 3.659 -10.130 -3.817 1.00 0.00 O ATOM 626 CB ALA A 44 6.169 -9.538 -6.019 1.00 0.00 C ATOM 0 H ALA A 44 5.989 -7.089 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 44 4.045 -9.179 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.065 -10.623 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.349 -9.163 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.009 -9.271 -5.377 1.00 0.00 H new ATOM 632 N ALA A 45 5.513 -9.143 -3.139 1.00 0.00 N ATOM 633 CA ALA A 45 5.385 -9.605 -1.716 1.00 0.00 C ATOM 634 C ALA A 45 3.919 -9.683 -1.265 1.00 0.00 C ATOM 635 O ALA A 45 3.452 -10.721 -0.840 1.00 0.00 O ATOM 636 CB ALA A 45 6.122 -8.605 -0.819 1.00 0.00 C ATOM 0 H ALA A 45 6.341 -8.575 -3.319 1.00 0.00 H new ATOM 0 HA ALA A 45 5.812 -10.605 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.042 -8.921 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.173 -8.564 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.676 -7.617 -0.933 1.00 0.00 H new ATOM 642 N GLU A 46 3.194 -8.602 -1.338 1.00 0.00 N ATOM 643 CA GLU A 46 1.770 -8.641 -0.897 1.00 0.00 C ATOM 644 C GLU A 46 0.982 -9.579 -1.795 1.00 0.00 C ATOM 645 O GLU A 46 0.233 -10.409 -1.338 1.00 0.00 O ATOM 646 CB GLU A 46 1.163 -7.240 -0.970 1.00 0.00 C ATOM 647 CG GLU A 46 1.298 -6.666 -2.380 1.00 0.00 C ATOM 648 CD GLU A 46 0.841 -5.207 -2.369 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.411 -4.423 -3.101 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.196 -4.872 -1.520 1.00 0.00 O ATOM 0 H GLU A 46 3.522 -7.699 -1.681 1.00 0.00 H new ATOM 0 HA GLU A 46 1.727 -8.999 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.111 -7.279 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.661 -6.585 -0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.332 -6.734 -2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.696 -7.244 -3.081 1.00 0.00 H new ATOM 658 N GLY A 47 1.153 -9.457 -3.069 1.00 0.00 N ATOM 659 CA GLY A 47 0.418 -10.345 -4.015 1.00 0.00 C ATOM 660 C GLY A 47 0.826 -11.811 -3.790 1.00 0.00 C ATOM 661 O GLY A 47 0.212 -12.713 -4.316 1.00 0.00 O ATOM 0 H GLY A 47 1.774 -8.777 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.657 -10.232 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.634 -10.053 -5.043 1.00 0.00 H new ATOM 665 N ASP A 48 1.872 -12.063 -3.040 1.00 0.00 N ATOM 666 CA ASP A 48 2.305 -13.476 -2.826 1.00 0.00 C ATOM 667 C ASP A 48 1.593 -14.073 -1.607 1.00 0.00 C ATOM 668 O ASP A 48 1.307 -15.254 -1.563 1.00 0.00 O ATOM 669 CB ASP A 48 3.816 -13.512 -2.595 1.00 0.00 C ATOM 670 CG ASP A 48 4.410 -14.736 -3.293 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.120 -14.926 -4.462 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.144 -15.465 -2.645 1.00 0.00 O ATOM 0 H ASP A 48 2.439 -11.357 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 48 2.048 -14.062 -3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.275 -12.602 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.030 -13.549 -1.527 1.00 0.00 H new ATOM 677 N ILE A 49 1.310 -13.273 -0.618 1.00 0.00 N ATOM 678 CA ILE A 49 0.626 -13.795 0.594 1.00 0.00 C ATOM 679 C ILE A 49 -0.883 -13.829 0.336 1.00 0.00 C ATOM 680 O ILE A 49 -1.594 -14.695 0.807 1.00 0.00 O ATOM 681 CB ILE A 49 0.986 -12.865 1.766 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.964 -13.585 2.698 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.246 -12.424 2.571 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.240 -13.935 1.932 1.00 0.00 C ATOM 0 H ILE A 49 1.524 -12.276 -0.598 1.00 0.00 H new ATOM 0 HA ILE A 49 0.943 -14.810 0.836 1.00 0.00 H new ATOM 0 HB ILE A 49 1.438 -11.968 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.203 -12.950 3.551 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.505 -14.491 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.066 -11.770 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.934 -11.887 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.745 -13.301 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.935 -14.447 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.994 -14.586 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.702 -13.021 1.559 1.00 0.00 H new ATOM 696 N THR A 50 -1.364 -12.875 -0.398 1.00 0.00 N ATOM 697 CA THR A 50 -2.830 -12.813 -0.688 1.00 0.00 C ATOM 698 C THR A 50 -3.094 -13.206 -2.147 1.00 0.00 C ATOM 699 O THR A 50 -4.188 -13.600 -2.498 1.00 0.00 O ATOM 700 CB THR A 50 -3.391 -11.393 -0.410 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.410 -11.093 -1.356 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.286 -10.325 -0.502 1.00 0.00 C ATOM 0 H THR A 50 -0.809 -12.128 -0.815 1.00 0.00 H new ATOM 0 HA THR A 50 -3.339 -13.517 -0.029 1.00 0.00 H new ATOM 0 HB THR A 50 -3.797 -11.381 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.001 -10.872 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.712 -9.342 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.510 -10.540 0.233 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.852 -10.336 -1.502 1.00 0.00 H new ATOM 710 N GLY A 51 -2.112 -13.109 -3.000 1.00 0.00 N ATOM 711 CA GLY A 51 -2.333 -13.485 -4.421 1.00 0.00 C ATOM 712 C GLY A 51 -2.612 -12.238 -5.271 1.00 0.00 C ATOM 713 O GLY A 51 -2.774 -12.326 -6.472 1.00 0.00 O ATOM 0 H GLY A 51 -1.171 -12.787 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.456 -14.006 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.172 -14.177 -4.494 1.00 0.00 H new ATOM 717 N ARG A 52 -2.686 -11.080 -4.667 1.00 0.00 N ATOM 718 CA ARG A 52 -2.973 -9.848 -5.458 1.00 0.00 C ATOM 719 C ARG A 52 -1.804 -9.514 -6.376 1.00 0.00 C ATOM 720 O ARG A 52 -0.862 -8.853 -5.988 1.00 0.00 O ATOM 721 CB ARG A 52 -3.216 -8.676 -4.514 1.00 0.00 C ATOM 722 CG ARG A 52 -4.707 -8.589 -4.211 1.00 0.00 C ATOM 723 CD ARG A 52 -4.924 -8.467 -2.713 1.00 0.00 C ATOM 724 NE ARG A 52 -5.682 -7.217 -2.398 1.00 0.00 N ATOM 725 CZ ARG A 52 -6.873 -7.299 -1.875 1.00 0.00 C ATOM 726 NH1 ARG A 52 -7.687 -8.240 -2.253 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.264 -6.422 -0.995 1.00 0.00 N ATOM 0 H ARG A 52 -2.561 -10.935 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.861 -10.028 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.651 -8.811 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.868 -7.748 -4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.141 -7.729 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.216 -9.475 -4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.472 -9.335 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.963 -8.457 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.269 -6.305 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.394 -8.915 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.619 -8.303 -1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.637 -5.668 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.197 -6.489 -0.588 1.00 0.00 H new ATOM 741 N ASP A 53 -1.871 -9.943 -7.600 1.00 0.00 N ATOM 742 CA ASP A 53 -0.777 -9.632 -8.558 1.00 0.00 C ATOM 743 C ASP A 53 -0.863 -8.145 -8.932 1.00 0.00 C ATOM 744 O ASP A 53 -1.885 -7.523 -8.722 1.00 0.00 O ATOM 745 CB ASP A 53 -0.940 -10.489 -9.816 1.00 0.00 C ATOM 746 CG ASP A 53 0.222 -11.482 -9.912 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.327 -11.108 -9.556 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.015 -12.599 -10.342 1.00 0.00 O ATOM 0 H ASP A 53 -2.638 -10.497 -7.981 1.00 0.00 H new ATOM 0 HA ASP A 53 0.191 -9.847 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.889 -11.025 -9.783 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.963 -9.854 -10.701 1.00 0.00 H new ATOM 753 N PRO A 54 0.209 -7.608 -9.472 1.00 0.00 N ATOM 754 CA PRO A 54 0.254 -6.192 -9.872 1.00 0.00 C ATOM 755 C PRO A 54 -0.502 -5.980 -11.188 1.00 0.00 C ATOM 756 O PRO A 54 -1.047 -4.925 -11.438 1.00 0.00 O ATOM 757 CB PRO A 54 1.749 -5.911 -10.042 1.00 0.00 C ATOM 758 CG PRO A 54 2.427 -7.282 -10.283 1.00 0.00 C ATOM 759 CD PRO A 54 1.463 -8.351 -9.737 1.00 0.00 C ATOM 0 HA PRO A 54 -0.216 -5.527 -9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.925 -5.238 -10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.157 -5.427 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.618 -7.439 -11.345 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.390 -7.333 -9.775 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.306 -9.152 -10.459 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.852 -8.812 -8.829 1.00 0.00 H new ATOM 767 N LYS A 55 -0.538 -6.978 -12.030 1.00 0.00 N ATOM 768 CA LYS A 55 -1.254 -6.835 -13.325 1.00 0.00 C ATOM 769 C LYS A 55 -2.756 -7.039 -13.115 1.00 0.00 C ATOM 770 O LYS A 55 -3.572 -6.427 -13.775 1.00 0.00 O ATOM 771 CB LYS A 55 -0.735 -7.882 -14.313 1.00 0.00 C ATOM 772 CG LYS A 55 0.754 -7.646 -14.576 1.00 0.00 C ATOM 773 CD LYS A 55 0.946 -7.122 -16.001 1.00 0.00 C ATOM 774 CE LYS A 55 1.614 -8.198 -16.857 1.00 0.00 C ATOM 775 NZ LYS A 55 2.657 -7.571 -17.720 1.00 0.00 N ATOM 0 H LYS A 55 -0.101 -7.886 -11.874 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.078 -5.835 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.889 -8.884 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.293 -7.823 -15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.152 -6.929 -13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.309 -8.574 -14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.017 -6.847 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.559 -6.221 -15.988 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.064 -8.958 -16.219 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.870 -8.700 -17.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.112 -8.303 -18.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.215 -6.861 -18.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.372 -7.111 -17.121 1.00 0.00 H new ATOM 789 N GLN A 56 -3.131 -7.897 -12.205 1.00 0.00 N ATOM 790 CA GLN A 56 -4.582 -8.139 -11.965 1.00 0.00 C ATOM 791 C GLN A 56 -5.175 -6.974 -11.172 1.00 0.00 C ATOM 792 O GLN A 56 -6.264 -6.512 -11.449 1.00 0.00 O ATOM 793 CB GLN A 56 -4.761 -9.434 -11.171 1.00 0.00 C ATOM 794 CG GLN A 56 -6.223 -9.881 -11.245 1.00 0.00 C ATOM 795 CD GLN A 56 -6.940 -9.504 -9.947 1.00 0.00 C ATOM 796 OE1 GLN A 56 -7.563 -8.464 -9.863 1.00 0.00 O ATOM 797 NE2 GLN A 56 -6.880 -10.311 -8.924 1.00 0.00 N ATOM 0 H GLN A 56 -2.497 -8.440 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.094 -8.224 -12.923 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.111 -10.212 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.469 -9.279 -10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.716 -9.409 -12.095 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.277 -10.958 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.357 -11.184 -8.993 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.356 -10.069 -8.055 1.00 0.00 H new ATOM 806 N VAL A 57 -4.466 -6.494 -10.190 1.00 0.00 N ATOM 807 CA VAL A 57 -4.989 -5.356 -9.383 1.00 0.00 C ATOM 808 C VAL A 57 -4.895 -4.062 -10.187 1.00 0.00 C ATOM 809 O VAL A 57 -5.345 -3.023 -9.748 1.00 0.00 O ATOM 810 CB VAL A 57 -4.163 -5.217 -8.108 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.283 -6.501 -7.291 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.698 -4.979 -8.481 1.00 0.00 C ATOM 0 H VAL A 57 -3.548 -6.839 -9.911 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.032 -5.547 -9.129 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.528 -4.376 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.695 -6.408 -6.378 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.328 -6.672 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.912 -7.341 -7.878 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.103 -4.879 -7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.330 -5.822 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.616 -4.066 -9.071 1.00 0.00 H new ATOM 822 N ILE A 58 -4.320 -4.107 -11.359 1.00 0.00 N ATOM 823 CA ILE A 58 -4.218 -2.869 -12.169 1.00 0.00 C ATOM 824 C ILE A 58 -5.623 -2.483 -12.636 1.00 0.00 C ATOM 825 O ILE A 58 -6.323 -3.256 -13.258 1.00 0.00 O ATOM 826 CB ILE A 58 -3.249 -3.117 -13.350 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.926 -2.429 -13.030 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.788 -2.553 -14.677 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.891 -2.787 -14.099 1.00 0.00 C ATOM 0 H ILE A 58 -3.920 -4.944 -11.784 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.815 -2.040 -11.587 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.129 -4.194 -13.472 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.066 -1.349 -12.992 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.571 -2.739 -12.047 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.072 -2.752 -15.475 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.739 -3.030 -14.915 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.935 -1.477 -14.582 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.054 -2.295 -13.870 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.743 -3.867 -14.115 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.246 -2.455 -15.075 1.00 0.00 H new ATOM 841 N GLY A 59 -6.037 -1.293 -12.322 1.00 0.00 N ATOM 842 CA GLY A 59 -7.398 -0.842 -12.726 1.00 0.00 C ATOM 843 C GLY A 59 -8.384 -1.141 -11.592 1.00 0.00 C ATOM 844 O GLY A 59 -9.456 -0.572 -11.522 1.00 0.00 O ATOM 0 H GLY A 59 -5.491 -0.607 -11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.390 0.226 -12.945 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.708 -1.353 -13.638 1.00 0.00 H new ATOM 848 N LYS A 60 -8.028 -2.031 -10.701 1.00 0.00 N ATOM 849 CA LYS A 60 -8.940 -2.364 -9.570 1.00 0.00 C ATOM 850 C LYS A 60 -8.767 -1.323 -8.465 1.00 0.00 C ATOM 851 O LYS A 60 -7.662 -0.987 -8.087 1.00 0.00 O ATOM 852 CB LYS A 60 -8.593 -3.749 -9.004 1.00 0.00 C ATOM 853 CG LYS A 60 -8.290 -4.727 -10.143 1.00 0.00 C ATOM 854 CD LYS A 60 -9.481 -4.785 -11.104 1.00 0.00 C ATOM 855 CE LYS A 60 -9.780 -6.243 -11.462 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.850 -6.290 -12.499 1.00 0.00 N ATOM 0 H LYS A 60 -7.144 -2.541 -10.710 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.969 -2.367 -9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.731 -3.673 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.423 -4.123 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.394 -4.411 -10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.087 -5.719 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.356 -4.326 -10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.261 -4.216 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.878 -6.730 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.096 -6.790 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.054 -7.280 -12.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.712 -5.840 -12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.532 -5.783 -13.349 1.00 0.00 H new ATOM 870 N ASN A 61 -9.845 -0.820 -7.932 1.00 0.00 N ATOM 871 CA ASN A 61 -9.722 0.183 -6.841 1.00 0.00 C ATOM 872 C ASN A 61 -9.320 -0.543 -5.558 1.00 0.00 C ATOM 873 O ASN A 61 -10.014 -1.420 -5.085 1.00 0.00 O ATOM 874 CB ASN A 61 -11.057 0.901 -6.636 1.00 0.00 C ATOM 875 CG ASN A 61 -10.843 2.412 -6.732 1.00 0.00 C ATOM 876 OD1 ASN A 61 -10.783 3.094 -5.729 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.722 2.967 -7.907 1.00 0.00 N ATOM 0 H ASN A 61 -10.799 -1.058 -8.203 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.967 0.925 -7.103 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.776 0.576 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.475 0.643 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.577 3.974 -7.983 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.772 2.394 -8.749 1.00 0.00 H new ATOM 884 N PHE A 62 -8.194 -0.197 -5.001 1.00 0.00 N ATOM 885 CA PHE A 62 -7.731 -0.879 -3.753 1.00 0.00 C ATOM 886 C PHE A 62 -8.663 -0.565 -2.582 1.00 0.00 C ATOM 887 O PHE A 62 -8.529 -1.133 -1.516 1.00 0.00 O ATOM 888 CB PHE A 62 -6.321 -0.395 -3.406 1.00 0.00 C ATOM 889 CG PHE A 62 -5.864 -1.050 -2.123 1.00 0.00 C ATOM 890 CD1 PHE A 62 -5.461 -2.390 -2.129 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.855 -0.318 -0.928 1.00 0.00 C ATOM 892 CE1 PHE A 62 -5.046 -3.000 -0.940 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.432 -0.928 0.260 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.027 -2.269 0.253 1.00 0.00 C ATOM 0 H PHE A 62 -7.571 0.529 -5.354 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.733 -1.955 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.633 -0.637 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.314 0.689 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.470 -2.953 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.173 0.714 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.740 -4.036 -0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.418 -0.364 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.700 -2.739 1.169 1.00 0.00 H new ATOM 904 N PHE A 63 -9.580 0.343 -2.744 1.00 0.00 N ATOM 905 CA PHE A 63 -10.465 0.679 -1.600 1.00 0.00 C ATOM 906 C PHE A 63 -11.795 -0.080 -1.686 1.00 0.00 C ATOM 907 O PHE A 63 -12.149 -0.825 -0.794 1.00 0.00 O ATOM 908 CB PHE A 63 -10.734 2.179 -1.600 1.00 0.00 C ATOM 909 CG PHE A 63 -9.491 2.894 -1.141 1.00 0.00 C ATOM 910 CD1 PHE A 63 -8.934 2.587 0.104 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.899 3.862 -1.955 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.784 3.251 0.535 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.746 4.527 -1.524 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.189 4.220 -0.275 1.00 0.00 C ATOM 0 H PHE A 63 -9.754 0.860 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 63 -9.965 0.385 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -11.014 2.512 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.569 2.413 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.393 1.837 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -9.331 4.097 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.354 3.015 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.286 5.275 -2.152 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.300 4.733 0.061 1.00 0.00 H new ATOM 924 N LYS A 64 -12.550 0.119 -2.733 1.00 0.00 N ATOM 925 CA LYS A 64 -13.866 -0.576 -2.836 1.00 0.00 C ATOM 926 C LYS A 64 -13.856 -1.596 -3.979 1.00 0.00 C ATOM 927 O LYS A 64 -14.895 -1.983 -4.475 1.00 0.00 O ATOM 928 CB LYS A 64 -14.959 0.462 -3.101 1.00 0.00 C ATOM 929 CG LYS A 64 -15.784 0.673 -1.831 1.00 0.00 C ATOM 930 CD LYS A 64 -16.778 1.814 -2.054 1.00 0.00 C ATOM 931 CE LYS A 64 -18.125 1.453 -1.420 1.00 0.00 C ATOM 932 NZ LYS A 64 -19.237 1.915 -2.299 1.00 0.00 N ATOM 0 H LYS A 64 -12.315 0.728 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.058 -1.102 -1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.511 1.404 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.603 0.127 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.316 -0.243 -1.574 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.128 0.906 -0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.394 2.735 -1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.904 1.997 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.190 0.375 -1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.210 1.916 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.149 1.668 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.179 2.946 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.160 1.454 -3.228 1.00 0.00 H new ATOM 946 N ASP A 65 -12.704 -2.035 -4.409 1.00 0.00 N ATOM 947 CA ASP A 65 -12.675 -3.025 -5.529 1.00 0.00 C ATOM 948 C ASP A 65 -11.657 -4.144 -5.263 1.00 0.00 C ATOM 949 O ASP A 65 -11.682 -5.168 -5.916 1.00 0.00 O ATOM 950 CB ASP A 65 -12.312 -2.310 -6.830 1.00 0.00 C ATOM 951 CG ASP A 65 -13.525 -2.296 -7.762 1.00 0.00 C ATOM 952 OD1 ASP A 65 -14.633 -2.209 -7.258 1.00 0.00 O ATOM 953 OD2 ASP A 65 -13.325 -2.372 -8.963 1.00 0.00 O ATOM 0 H ASP A 65 -11.794 -1.758 -4.042 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.664 -3.476 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.991 -1.290 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.475 -2.814 -7.313 1.00 0.00 H new ATOM 958 N VAL A 66 -10.764 -3.977 -4.323 1.00 0.00 N ATOM 959 CA VAL A 66 -9.775 -5.048 -4.052 1.00 0.00 C ATOM 960 C VAL A 66 -9.898 -5.463 -2.593 1.00 0.00 C ATOM 961 O VAL A 66 -9.942 -6.628 -2.257 1.00 0.00 O ATOM 962 CB VAL A 66 -8.364 -4.503 -4.273 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.352 -5.626 -4.145 1.00 0.00 C ATOM 964 CG2 VAL A 66 -8.229 -3.895 -5.656 1.00 0.00 C ATOM 0 H VAL A 66 -10.681 -3.147 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.959 -5.894 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.180 -3.736 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.348 -5.231 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.417 -6.062 -3.148 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.563 -6.392 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.216 -3.514 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.432 -4.656 -6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.941 -3.077 -5.765 1.00 0.00 H new ATOM 974 N ALA A 67 -9.927 -4.497 -1.727 1.00 0.00 N ATOM 975 CA ALA A 67 -10.012 -4.778 -0.274 1.00 0.00 C ATOM 976 C ALA A 67 -11.260 -4.080 0.312 1.00 0.00 C ATOM 977 O ALA A 67 -11.290 -2.869 0.397 1.00 0.00 O ATOM 978 CB ALA A 67 -8.748 -4.202 0.364 1.00 0.00 C ATOM 0 H ALA A 67 -9.895 -3.507 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.093 -5.848 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.766 -4.386 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.870 -4.680 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.705 -3.128 0.180 1.00 0.00 H new ATOM 984 N PRO A 68 -12.261 -4.850 0.695 1.00 0.00 N ATOM 985 CA PRO A 68 -13.509 -4.289 1.252 1.00 0.00 C ATOM 986 C PRO A 68 -13.313 -3.804 2.695 1.00 0.00 C ATOM 987 O PRO A 68 -14.236 -3.321 3.320 1.00 0.00 O ATOM 988 CB PRO A 68 -14.491 -5.463 1.197 1.00 0.00 C ATOM 989 CG PRO A 68 -13.634 -6.749 1.150 1.00 0.00 C ATOM 990 CD PRO A 68 -12.250 -6.330 0.622 1.00 0.00 C ATOM 0 HA PRO A 68 -13.857 -3.417 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.144 -5.464 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.132 -5.392 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.552 -7.198 2.140 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.089 -7.495 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.449 -6.752 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.093 -6.676 -0.399 1.00 0.00 H new ATOM 998 N CYS A 69 -12.128 -3.920 3.232 1.00 0.00 N ATOM 999 CA CYS A 69 -11.908 -3.454 4.631 1.00 0.00 C ATOM 1000 C CYS A 69 -11.276 -2.058 4.616 1.00 0.00 C ATOM 1001 O CYS A 69 -11.392 -1.302 5.558 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.971 -4.430 5.358 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.301 -4.314 4.669 1.00 0.00 S ATOM 0 H CYS A 69 -11.310 -4.314 2.767 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.865 -3.413 5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.950 -4.202 6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.345 -5.449 5.258 1.00 0.00 H new ATOM 1008 N THR A 70 -10.594 -1.720 3.553 1.00 0.00 N ATOM 1009 CA THR A 70 -9.944 -0.385 3.487 1.00 0.00 C ATOM 1010 C THR A 70 -11.002 0.698 3.267 1.00 0.00 C ATOM 1011 O THR A 70 -10.697 1.871 3.262 1.00 0.00 O ATOM 1012 CB THR A 70 -8.931 -0.363 2.342 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.582 -0.699 1.133 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.813 -1.368 2.630 1.00 0.00 C ATOM 0 H THR A 70 -10.461 -2.311 2.732 1.00 0.00 H new ATOM 0 HA THR A 70 -9.427 -0.190 4.427 1.00 0.00 H new ATOM 0 HB THR A 70 -8.500 0.634 2.252 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.913 -0.879 0.440 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.091 -1.353 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.314 -1.100 3.561 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.237 -2.368 2.720 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.245 0.323 3.092 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.307 1.346 2.889 1.00 0.00 C ATOM 1024 C ASP A 71 -13.856 1.776 4.250 1.00 0.00 C ATOM 1025 O ASP A 71 -15.049 1.789 4.479 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.435 0.758 2.038 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.914 -0.556 2.661 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.653 -0.762 3.834 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.533 -1.334 1.953 1.00 0.00 O ATOM 0 H ASP A 71 -12.566 -0.645 3.082 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.888 2.211 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.262 1.465 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.084 0.584 1.021 1.00 0.00 H new ATOM 1034 N SER A 72 -12.985 2.131 5.150 1.00 0.00 N ATOM 1035 CA SER A 72 -13.422 2.571 6.501 1.00 0.00 C ATOM 1036 C SER A 72 -12.784 3.933 6.792 1.00 0.00 C ATOM 1037 O SER A 72 -11.992 4.404 6.002 1.00 0.00 O ATOM 1038 CB SER A 72 -12.961 1.551 7.542 1.00 0.00 C ATOM 1039 OG SER A 72 -14.095 0.882 8.079 1.00 0.00 O ATOM 0 H SER A 72 -11.975 2.135 5.004 1.00 0.00 H new ATOM 0 HA SER A 72 -14.508 2.651 6.542 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.282 0.831 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.409 2.051 8.338 1.00 0.00 H new ATOM 0 HG SER A 72 -13.802 0.226 8.746 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.141 4.535 7.909 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.601 5.852 8.297 1.00 0.00 C ATOM 1047 C PRO A 73 -11.170 5.732 8.843 1.00 0.00 C ATOM 1048 O PRO A 73 -10.548 6.718 9.186 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.565 6.334 9.384 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.251 5.070 9.953 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.105 3.969 8.886 1.00 0.00 C ATOM 0 HA PRO A 73 -12.533 6.540 7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.030 6.871 10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.302 7.023 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.785 4.765 10.890 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.302 5.264 10.168 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.734 3.041 9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.061 3.741 8.416 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.638 4.542 8.922 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.253 4.385 9.437 1.00 0.00 C ATOM 1061 C GLU A 74 -8.310 4.090 8.272 1.00 0.00 C ATOM 1062 O GLU A 74 -7.141 4.418 8.304 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.201 3.231 10.432 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.708 3.707 11.795 1.00 0.00 C ATOM 1065 CD GLU A 74 -11.189 3.354 11.943 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -11.861 3.263 10.929 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -11.626 3.180 13.069 1.00 0.00 O ATOM 0 H GLU A 74 -11.104 3.675 8.652 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.947 5.305 9.935 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.811 2.402 10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.180 2.860 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.131 3.239 12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.569 4.784 11.890 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.811 3.480 7.237 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.951 3.177 6.063 1.00 0.00 C ATOM 1076 C PHE A 75 -8.227 4.229 4.986 1.00 0.00 C ATOM 1077 O PHE A 75 -7.430 5.124 4.752 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.276 1.775 5.532 1.00 0.00 C ATOM 1079 CG PHE A 75 -7.028 1.157 4.951 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.487 1.671 3.770 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.410 0.074 5.591 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.330 1.107 3.224 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.249 -0.492 5.046 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.710 0.025 3.861 1.00 0.00 C ATOM 0 H PHE A 75 -9.782 3.177 7.153 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.898 3.202 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.664 1.150 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.054 1.834 4.771 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.964 2.506 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.828 -0.324 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.914 1.506 2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.771 -1.325 5.539 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.817 -0.411 3.439 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.370 4.166 4.357 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.693 5.193 3.334 1.00 0.00 C ATOM 1096 C TYR A 76 -10.005 6.505 4.055 1.00 0.00 C ATOM 1097 O TYR A 76 -10.016 7.554 3.460 1.00 0.00 O ATOM 1098 CB TYR A 76 -10.908 4.757 2.510 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.042 5.649 1.297 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -9.922 5.919 0.501 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.284 6.202 0.967 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.043 6.742 -0.625 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.406 7.025 -0.160 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.286 7.295 -0.956 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.408 8.105 -2.066 1.00 0.00 O ATOM 0 H TYR A 76 -10.085 3.454 4.507 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.847 5.321 2.659 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.796 3.718 2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.811 4.813 3.117 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.963 5.492 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.148 5.995 1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.178 6.950 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.365 7.452 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.337 8.404 -2.152 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.259 6.445 5.338 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.554 7.683 6.113 1.00 0.00 C ATOM 1117 C GLY A 77 -9.328 8.585 6.127 1.00 0.00 C ATOM 1118 O GLY A 77 -9.348 9.696 5.638 1.00 0.00 O ATOM 0 H GLY A 77 -10.274 5.583 5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.399 8.209 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.839 7.426 7.133 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.258 8.109 6.703 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.017 8.933 6.774 1.00 0.00 C ATOM 1124 C LYS A 78 -6.495 9.191 5.366 1.00 0.00 C ATOM 1125 O LYS A 78 -5.672 10.051 5.153 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.960 8.211 7.620 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.622 7.504 8.820 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.761 8.362 9.401 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.835 8.170 10.917 1.00 0.00 C ATOM 1130 NZ LYS A 78 -6.850 9.069 11.584 1.00 0.00 N ATOM 0 H LYS A 78 -8.189 7.184 7.128 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.240 9.890 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.431 7.482 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.219 8.927 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.013 6.536 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.876 7.312 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.592 9.413 9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.710 8.081 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.842 8.389 11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.626 7.131 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.902 8.937 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.891 8.839 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.069 10.058 11.350 1.00 0.00 H new ATOM 1144 N PHE A 79 -6.974 8.460 4.404 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.535 8.679 3.010 1.00 0.00 C ATOM 1146 C PHE A 79 -7.309 9.863 2.449 1.00 0.00 C ATOM 1147 O PHE A 79 -6.768 10.693 1.768 1.00 0.00 O ATOM 1148 CB PHE A 79 -6.842 7.420 2.203 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.655 7.641 0.710 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.570 8.427 -0.009 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.588 7.031 0.034 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.414 8.601 -1.387 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.444 7.206 -1.339 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.352 7.985 -2.049 1.00 0.00 C ATOM 0 H PHE A 79 -7.658 7.713 4.529 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.466 8.886 2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.192 6.610 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.867 7.106 2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.396 8.898 0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.879 6.426 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.114 9.211 -1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.622 6.734 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.234 8.113 -3.115 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.572 9.947 2.738 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.371 11.077 2.234 1.00 0.00 C ATOM 1166 C LYS A 80 -9.034 12.319 3.055 1.00 0.00 C ATOM 1167 O LYS A 80 -9.425 13.421 2.727 1.00 0.00 O ATOM 1168 CB LYS A 80 -10.859 10.752 2.376 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.463 10.499 0.995 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.347 11.683 0.600 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.819 11.305 0.777 1.00 0.00 C ATOM 1172 NZ LYS A 80 -14.669 12.229 -0.023 1.00 0.00 N ATOM 0 H LYS A 80 -9.085 9.273 3.307 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.145 11.256 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.991 9.874 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.377 11.577 2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.670 10.362 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.050 9.581 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.107 12.550 1.215 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.155 11.964 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.982 10.276 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.095 11.360 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.670 11.972 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.521 13.206 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.411 12.156 -1.028 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.297 12.146 4.121 1.00 0.00 N ATOM 1187 CA GLU A 81 -7.916 13.313 4.962 1.00 0.00 C ATOM 1188 C GLU A 81 -6.533 13.770 4.524 1.00 0.00 C ATOM 1189 O GLU A 81 -6.255 14.946 4.413 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.882 12.901 6.437 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.174 12.162 6.798 1.00 0.00 C ATOM 1192 CD GLU A 81 -10.082 13.090 7.608 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -10.624 14.014 7.023 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.220 12.860 8.797 1.00 0.00 O ATOM 0 H GLU A 81 -7.943 11.245 4.444 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.640 14.120 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.021 12.260 6.626 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.768 13.782 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.685 11.836 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.944 11.266 7.375 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.675 12.832 4.249 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.305 13.175 3.782 1.00 0.00 C ATOM 1203 C GLY A 82 -4.433 13.837 2.414 1.00 0.00 C ATOM 1204 O GLY A 82 -3.778 14.814 2.109 1.00 0.00 O ATOM 0 H GLY A 82 -5.865 11.833 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.818 13.847 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.688 12.279 3.717 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.292 13.299 1.594 1.00 0.00 N ATOM 1209 CA VAL A 83 -5.509 13.868 0.232 1.00 0.00 C ATOM 1210 C VAL A 83 -6.061 15.294 0.342 1.00 0.00 C ATOM 1211 O VAL A 83 -5.696 16.172 -0.414 1.00 0.00 O ATOM 1212 CB VAL A 83 -6.533 13.009 -0.516 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -6.735 13.564 -1.925 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.040 11.563 -0.607 1.00 0.00 C ATOM 0 H VAL A 83 -5.860 12.480 1.811 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.559 13.881 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.478 13.032 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.464 12.952 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.099 14.590 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.787 13.547 -2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.775 10.961 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.091 11.535 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.902 11.162 0.397 1.00 0.00 H new ATOM 1224 N ALA A 84 -6.961 15.522 1.262 1.00 0.00 N ATOM 1225 CA ALA A 84 -7.567 16.880 1.405 1.00 0.00 C ATOM 1226 C ALA A 84 -6.839 17.703 2.476 1.00 0.00 C ATOM 1227 O ALA A 84 -7.214 18.823 2.760 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.028 16.722 1.819 1.00 0.00 C ATOM 0 H ALA A 84 -7.304 14.825 1.923 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.483 17.400 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.484 17.706 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.563 16.156 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.081 16.191 2.769 1.00 0.00 H new ATOM 1234 N SER A 85 -5.819 17.167 3.081 1.00 0.00 N ATOM 1235 CA SER A 85 -5.101 17.940 4.140 1.00 0.00 C ATOM 1236 C SER A 85 -3.770 18.463 3.599 1.00 0.00 C ATOM 1237 O SER A 85 -3.232 19.436 4.089 1.00 0.00 O ATOM 1238 CB SER A 85 -4.839 17.038 5.349 1.00 0.00 C ATOM 1239 OG SER A 85 -3.952 15.990 4.978 1.00 0.00 O ATOM 0 H SER A 85 -5.450 16.235 2.893 1.00 0.00 H new ATOM 0 HA SER A 85 -5.721 18.784 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.409 17.621 6.164 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.777 16.622 5.715 1.00 0.00 H new ATOM 0 HG SER A 85 -3.547 15.604 5.783 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.229 17.829 2.597 1.00 0.00 N ATOM 1246 CA GLY A 86 -1.931 18.300 2.037 1.00 0.00 C ATOM 1247 C GLY A 86 -0.776 17.646 2.799 1.00 0.00 C ATOM 1248 O GLY A 86 0.338 18.132 2.793 1.00 0.00 O ATOM 0 H GLY A 86 -3.627 17.007 2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.869 18.051 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.863 19.385 2.114 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.029 16.543 3.451 1.00 0.00 N ATOM 1253 CA ASN A 87 0.058 15.858 4.207 1.00 0.00 C ATOM 1254 C ASN A 87 -0.335 14.402 4.450 1.00 0.00 C ATOM 1255 O ASN A 87 -0.388 13.941 5.574 1.00 0.00 O ATOM 1256 CB ASN A 87 0.273 16.561 5.549 1.00 0.00 C ATOM 1257 CG ASN A 87 -1.061 16.665 6.289 1.00 0.00 C ATOM 1258 OD1 ASN A 87 -1.516 15.707 6.884 1.00 0.00 O ATOM 1259 ND2 ASN A 87 -1.711 17.796 6.279 1.00 0.00 N ATOM 0 H ASN A 87 -1.941 16.087 3.493 1.00 0.00 H new ATOM 0 HA ASN A 87 0.982 15.895 3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.993 16.006 6.151 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.690 17.555 5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.601 17.877 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.329 18.599 5.780 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.609 13.675 3.404 1.00 0.00 N ATOM 1267 CA LEU A 88 -0.995 12.249 3.572 1.00 0.00 C ATOM 1268 C LEU A 88 0.190 11.464 4.115 1.00 0.00 C ATOM 1269 O LEU A 88 1.103 11.139 3.396 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.413 11.664 2.223 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.310 10.451 2.466 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.469 10.464 1.469 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.495 9.169 2.284 1.00 0.00 C ATOM 0 H LEU A 88 -0.582 14.007 2.440 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.830 12.183 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.943 12.413 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.533 11.373 1.649 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.705 10.490 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.108 9.598 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.051 11.377 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.076 10.426 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.135 8.304 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.099 9.130 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.670 9.158 2.996 1.00 0.00 H new ATOM 1285 N ASN A 89 0.176 11.166 5.383 1.00 0.00 N ATOM 1286 CA ASN A 89 1.297 10.397 5.989 1.00 0.00 C ATOM 1287 C ASN A 89 0.824 9.805 7.317 1.00 0.00 C ATOM 1288 O ASN A 89 1.053 10.368 8.369 1.00 0.00 O ATOM 1289 CB ASN A 89 2.482 11.334 6.233 1.00 0.00 C ATOM 1290 CG ASN A 89 3.707 10.517 6.648 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.738 9.316 6.471 1.00 0.00 O ATOM 1292 ND2 ASN A 89 4.725 11.124 7.195 1.00 0.00 N ATOM 0 H ASN A 89 -0.569 11.424 6.030 1.00 0.00 H new ATOM 0 HA ASN A 89 1.608 9.596 5.319 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.701 11.902 5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.233 12.056 7.011 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.548 10.589 7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.698 12.133 7.343 1.00 0.00 H new ATOM 1299 N THR A 90 0.154 8.682 7.288 1.00 0.00 N ATOM 1300 CA THR A 90 -0.336 8.091 8.566 1.00 0.00 C ATOM 1301 C THR A 90 -0.160 6.572 8.548 1.00 0.00 C ATOM 1302 O THR A 90 0.231 5.992 7.556 1.00 0.00 O ATOM 1303 CB THR A 90 -1.819 8.433 8.747 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.283 7.895 9.979 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.628 7.840 7.592 1.00 0.00 C ATOM 0 H THR A 90 -0.072 8.155 6.445 1.00 0.00 H new ATOM 0 HA THR A 90 0.241 8.503 9.394 1.00 0.00 H new ATOM 0 HB THR A 90 -1.942 9.516 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.231 8.115 10.096 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.682 8.084 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.274 8.255 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.505 6.757 7.580 1.00 0.00 H new ATOM 1313 N MET A 91 -0.446 5.929 9.647 1.00 0.00 N ATOM 1314 CA MET A 91 -0.298 4.448 9.713 1.00 0.00 C ATOM 1315 C MET A 91 -1.327 3.886 10.697 1.00 0.00 C ATOM 1316 O MET A 91 -1.957 4.620 11.433 1.00 0.00 O ATOM 1317 CB MET A 91 1.110 4.103 10.199 1.00 0.00 C ATOM 1318 CG MET A 91 1.418 4.898 11.468 1.00 0.00 C ATOM 1319 SD MET A 91 2.207 6.465 11.025 1.00 0.00 S ATOM 1320 CE MET A 91 3.906 5.977 11.412 1.00 0.00 C ATOM 0 H MET A 91 -0.777 6.368 10.506 1.00 0.00 H new ATOM 0 HA MET A 91 -0.459 4.016 8.725 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.186 3.034 10.399 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.841 4.335 9.425 1.00 0.00 H new ATOM 0 HG2 MET A 91 0.499 5.086 12.024 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.073 4.321 12.121 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.579 6.810 11.209 1.00 0.00 H new ATOM 0 HE2 MET A 91 3.975 5.703 12.465 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.189 5.124 10.796 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.503 2.594 10.723 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.492 2.003 11.671 1.00 0.00 C ATOM 1332 C PHE A 92 -2.421 0.479 11.614 1.00 0.00 C ATOM 1333 O PHE A 92 -2.035 -0.097 10.621 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.905 2.459 11.299 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.138 2.255 9.823 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.298 0.963 9.305 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.204 3.361 8.973 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.522 0.782 7.935 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.428 3.180 7.604 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.587 1.889 7.086 1.00 0.00 C ATOM 0 H PHE A 92 -1.009 1.924 10.133 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.256 2.338 12.681 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.641 1.897 11.873 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.037 3.510 11.555 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.249 0.107 9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.082 4.357 9.373 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.645 -0.214 7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.478 4.036 6.947 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.760 1.749 6.029 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.800 -0.176 12.675 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.765 -1.664 12.686 1.00 0.00 C ATOM 1352 C GLU A 93 -4.003 -2.194 11.968 1.00 0.00 C ATOM 1353 O GLU A 93 -5.119 -1.970 12.390 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.760 -2.169 14.131 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.601 -1.527 14.896 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.003 -2.548 15.868 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.711 -2.963 16.770 1.00 0.00 O ATOM 1358 OE2 GLU A 93 0.153 -2.897 15.691 1.00 0.00 O ATOM 0 H GLU A 93 -3.133 0.256 13.537 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.864 -2.013 12.181 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.706 -1.927 14.615 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.662 -3.255 14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.837 -1.182 14.199 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.952 -0.652 15.442 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.818 -2.892 10.884 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.991 -3.428 10.143 1.00 0.00 C ATOM 1367 C TYR A 94 -4.852 -4.941 9.998 1.00 0.00 C ATOM 1368 O TYR A 94 -3.811 -5.508 10.267 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.050 -2.789 8.755 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.428 -2.224 8.516 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.991 -1.336 9.440 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.139 -2.585 7.367 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.268 -0.809 9.214 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.416 -2.059 7.142 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.981 -1.170 8.064 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.239 -0.649 7.840 1.00 0.00 O ATOM 0 H TYR A 94 -2.908 -3.114 10.480 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.904 -3.197 10.691 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.303 -1.999 8.675 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.813 -3.530 7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.441 -1.058 10.327 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.703 -3.269 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.703 -0.124 9.927 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.966 -2.339 6.256 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.436 -0.671 6.880 1.00 0.00 H new ATOM 1386 N THR A 95 -5.888 -5.597 9.565 1.00 0.00 N ATOM 1387 CA THR A 95 -5.808 -7.071 9.394 1.00 0.00 C ATOM 1388 C THR A 95 -6.540 -7.471 8.118 1.00 0.00 C ATOM 1389 O THR A 95 -7.748 -7.382 8.025 1.00 0.00 O ATOM 1390 CB THR A 95 -6.452 -7.772 10.591 1.00 0.00 C ATOM 1391 OG1 THR A 95 -6.277 -6.977 11.756 1.00 0.00 O ATOM 1392 CG2 THR A 95 -5.786 -9.133 10.789 1.00 0.00 C ATOM 0 H THR A 95 -6.786 -5.178 9.322 1.00 0.00 H new ATOM 0 HA THR A 95 -4.761 -7.368 9.327 1.00 0.00 H new ATOM 0 HB THR A 95 -7.518 -7.910 10.410 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.691 -7.425 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.240 -9.640 11.641 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.922 -9.738 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.721 -8.993 10.975 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.815 -7.915 7.135 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.464 -8.326 5.862 1.00 0.00 C ATOM 1402 C PHE A 96 -7.051 -9.726 6.029 1.00 0.00 C ATOM 1403 O PHE A 96 -6.438 -10.715 5.683 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.431 -8.334 4.725 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.882 -6.938 4.472 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.532 -5.796 4.977 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.709 -6.789 3.719 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.008 -4.523 4.730 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.187 -5.512 3.474 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.837 -4.381 3.980 1.00 0.00 C ATOM 0 H PHE A 96 -4.800 -8.012 7.157 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.257 -7.620 5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.613 -9.009 4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.891 -8.717 3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.437 -5.903 5.556 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.206 -7.661 3.327 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.509 -3.649 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.283 -5.401 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.434 -3.397 3.791 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.243 -9.812 6.548 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.884 -11.140 6.729 1.00 0.00 C ATOM 1422 C ASP A 97 -9.919 -11.324 5.628 1.00 0.00 C ATOM 1423 O ASP A 97 -10.907 -12.012 5.790 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.565 -11.213 8.097 1.00 0.00 C ATOM 1425 CG ASP A 97 -8.529 -10.979 9.198 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -7.889 -9.941 9.172 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -8.394 -11.843 10.049 1.00 0.00 O ATOM 0 H ASP A 97 -8.802 -9.016 6.855 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.132 -11.927 6.676 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.355 -10.465 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.037 -12.187 8.228 1.00 0.00 H new ATOM 1432 N TYR A 98 -9.683 -10.719 4.500 1.00 0.00 N ATOM 1433 CA TYR A 98 -10.632 -10.862 3.369 1.00 0.00 C ATOM 1434 C TYR A 98 -10.377 -12.236 2.742 1.00 0.00 C ATOM 1435 O TYR A 98 -9.282 -12.732 2.843 1.00 0.00 O ATOM 1436 CB TYR A 98 -10.386 -9.710 2.354 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.485 -10.158 1.215 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -8.237 -10.730 1.487 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.922 -10.028 -0.105 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -7.425 -11.176 0.439 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -9.109 -10.470 -1.156 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.862 -11.047 -0.885 1.00 0.00 C ATOM 1443 OH TYR A 98 -7.067 -11.488 -1.922 1.00 0.00 O ATOM 0 H TYR A 98 -8.871 -10.130 4.314 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.671 -10.798 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -11.340 -9.367 1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.932 -8.862 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.900 -10.827 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.885 -9.587 -0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -6.463 -11.619 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -9.444 -10.366 -2.177 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.129 -11.484 -1.639 1.00 0.00 H new ATOM 1453 N GLN A 99 -11.381 -12.824 2.108 1.00 0.00 N ATOM 1454 CA GLN A 99 -11.267 -14.187 1.444 1.00 0.00 C ATOM 1455 C GLN A 99 -9.854 -14.774 1.550 1.00 0.00 C ATOM 1456 O GLN A 99 -9.141 -14.890 0.572 1.00 0.00 O ATOM 1457 CB GLN A 99 -11.634 -14.051 -0.035 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.030 -13.438 -0.161 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.703 -13.953 -1.433 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -13.609 -13.339 -2.477 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.387 -15.065 -1.391 1.00 0.00 N ATOM 0 H GLN A 99 -12.306 -12.403 2.019 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.948 -14.863 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -10.903 -13.424 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.609 -15.028 -0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.631 -13.696 0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.960 -12.351 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.467 -15.582 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -14.841 -15.417 -2.234 1.00 0.00 H new ATOM 1470 N MET A 100 -9.437 -15.111 2.737 1.00 0.00 N ATOM 1471 CA MET A 100 -8.061 -15.650 2.915 1.00 0.00 C ATOM 1472 C MET A 100 -7.796 -15.919 4.399 1.00 0.00 C ATOM 1473 O MET A 100 -8.708 -16.083 5.186 1.00 0.00 O ATOM 1474 CB MET A 100 -7.052 -14.608 2.412 1.00 0.00 C ATOM 1475 CG MET A 100 -6.096 -15.260 1.409 1.00 0.00 C ATOM 1476 SD MET A 100 -4.390 -15.101 1.997 1.00 0.00 S ATOM 1477 CE MET A 100 -4.389 -13.304 2.205 1.00 0.00 C ATOM 0 H MET A 100 -9.989 -15.037 3.592 1.00 0.00 H new ATOM 0 HA MET A 100 -7.960 -16.579 2.354 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.577 -13.776 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.490 -14.197 3.251 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.350 -16.312 1.281 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.200 -14.786 0.433 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.386 -12.917 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.085 -12.855 1.496 1.00 0.00 H new ATOM 0 HE3 MET A 100 -4.695 -13.055 3.221 1.00 0.00 H new ATOM 1487 N THR A 101 -6.548 -15.954 4.786 1.00 0.00 N ATOM 1488 CA THR A 101 -6.207 -16.197 6.217 1.00 0.00 C ATOM 1489 C THR A 101 -6.101 -14.844 6.940 1.00 0.00 C ATOM 1490 O THR A 101 -6.185 -13.810 6.306 1.00 0.00 O ATOM 1491 CB THR A 101 -4.865 -16.938 6.307 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.250 -16.969 5.025 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.099 -18.371 6.791 1.00 0.00 C ATOM 0 H THR A 101 -5.747 -15.824 4.168 1.00 0.00 H new ATOM 0 HA THR A 101 -6.982 -16.805 6.685 1.00 0.00 H new ATOM 0 HB THR A 101 -4.215 -16.418 7.011 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.393 -17.441 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.145 -18.894 6.854 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.567 -18.351 7.775 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.752 -18.890 6.089 1.00 0.00 H new ATOM 1501 N PRO A 102 -5.921 -14.876 8.245 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.806 -13.643 9.048 1.00 0.00 C ATOM 1503 C PRO A 102 -4.418 -13.018 8.876 1.00 0.00 C ATOM 1504 O PRO A 102 -3.507 -13.284 9.632 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.021 -14.126 10.486 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.690 -15.636 10.496 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.813 -16.124 9.039 1.00 0.00 C ATOM 0 HA PRO A 102 -6.519 -12.873 8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.377 -13.583 11.178 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.049 -13.952 10.804 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.684 -15.810 10.879 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.377 -16.179 11.146 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.945 -16.712 8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.689 -16.759 8.904 1.00 0.00 H new ATOM 1515 N THR A 103 -4.256 -12.186 7.883 1.00 0.00 N ATOM 1516 CA THR A 103 -2.932 -11.540 7.653 1.00 0.00 C ATOM 1517 C THR A 103 -2.842 -10.252 8.480 1.00 0.00 C ATOM 1518 O THR A 103 -3.438 -9.254 8.147 1.00 0.00 O ATOM 1519 CB THR A 103 -2.783 -11.220 6.148 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.379 -12.395 5.460 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.737 -10.113 5.918 1.00 0.00 C ATOM 0 H THR A 103 -4.985 -11.925 7.219 1.00 0.00 H new ATOM 0 HA THR A 103 -2.130 -12.212 7.959 1.00 0.00 H new ATOM 0 HB THR A 103 -3.744 -10.870 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.285 -12.198 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.653 -9.908 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.046 -9.206 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.771 -10.440 6.302 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.075 -10.254 9.531 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.934 -9.011 10.335 1.00 0.00 C ATOM 1531 C LYS A 104 -0.837 -8.165 9.693 1.00 0.00 C ATOM 1532 O LYS A 104 0.167 -8.685 9.263 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.528 -9.362 11.767 1.00 0.00 C ATOM 1534 CG LYS A 104 -2.064 -8.301 12.729 1.00 0.00 C ATOM 1535 CD LYS A 104 -3.388 -8.775 13.331 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.197 -9.075 14.818 1.00 0.00 C ATOM 1537 NZ LYS A 104 -2.336 -10.281 14.973 1.00 0.00 N ATOM 0 H LYS A 104 -1.543 -11.057 9.867 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.879 -8.468 10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.920 -10.343 12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.442 -9.421 11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.339 -8.115 13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.210 -7.358 12.202 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.153 -8.010 13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.737 -9.668 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.739 -8.221 15.317 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.163 -9.241 15.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.315 -10.567 15.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.720 -11.058 14.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.370 -10.061 14.656 1.00 0.00 H new ATOM 1551 N VAL A 105 -1.016 -6.874 9.613 1.00 0.00 N ATOM 1552 CA VAL A 105 0.033 -6.022 8.982 1.00 0.00 C ATOM 1553 C VAL A 105 0.027 -4.626 9.612 1.00 0.00 C ATOM 1554 O VAL A 105 -1.018 -4.082 9.914 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.262 -5.857 7.481 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.433 -7.230 6.831 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.548 -5.040 7.270 1.00 0.00 C ATOM 0 H VAL A 105 -1.837 -6.375 9.955 1.00 0.00 H new ATOM 0 HA VAL A 105 0.999 -6.503 9.134 1.00 0.00 H new ATOM 0 HB VAL A 105 0.576 -5.331 7.023 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.642 -7.106 5.768 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.482 -7.808 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.262 -7.756 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.740 -4.934 6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.387 -5.553 7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.430 -4.053 7.717 1.00 0.00 H new ATOM 1567 N LYS A 106 1.166 -4.003 9.728 1.00 0.00 N ATOM 1568 CA LYS A 106 1.176 -2.606 10.237 1.00 0.00 C ATOM 1569 C LYS A 106 1.255 -1.739 8.987 1.00 0.00 C ATOM 1570 O LYS A 106 2.177 -1.836 8.209 1.00 0.00 O ATOM 1571 CB LYS A 106 2.351 -2.334 11.201 1.00 0.00 C ATOM 1572 CG LYS A 106 3.703 -2.570 10.527 1.00 0.00 C ATOM 1573 CD LYS A 106 4.342 -3.839 11.091 1.00 0.00 C ATOM 1574 CE LYS A 106 4.912 -3.546 12.482 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.397 -3.658 12.443 1.00 0.00 N ATOM 0 H LYS A 106 2.079 -4.395 9.496 1.00 0.00 H new ATOM 0 HA LYS A 106 0.287 -2.392 10.831 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.297 -1.306 11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.262 -2.980 12.074 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.572 -2.665 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.358 -1.715 10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.602 -4.637 11.150 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.134 -4.187 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 106 4.620 -2.546 12.803 1.00 0.00 H new ATOM 0 HE3 LYS A 106 4.503 -4.247 13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.785 -3.459 13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.665 -4.620 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.779 -2.973 11.760 1.00 0.00 H new ATOM 1589 N VAL A 107 0.251 -0.963 8.732 1.00 0.00 N ATOM 1590 CA VAL A 107 0.243 -0.175 7.468 1.00 0.00 C ATOM 1591 C VAL A 107 0.988 1.145 7.644 1.00 0.00 C ATOM 1592 O VAL A 107 1.134 1.670 8.729 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.232 0.086 6.991 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.190 -0.919 7.626 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.719 1.518 7.320 1.00 0.00 C ATOM 0 H VAL A 107 -0.562 -0.836 9.335 1.00 0.00 H new ATOM 0 HA VAL A 107 0.758 -0.756 6.703 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.228 -0.031 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.205 -0.721 7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.900 -1.930 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.149 -0.825 8.711 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.743 1.644 6.969 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.683 1.676 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.074 2.244 6.825 1.00 0.00 H new ATOM 1605 N HIS A 108 1.385 1.699 6.540 1.00 0.00 N ATOM 1606 CA HIS A 108 2.060 3.029 6.547 1.00 0.00 C ATOM 1607 C HIS A 108 1.879 3.639 5.163 1.00 0.00 C ATOM 1608 O HIS A 108 2.575 3.296 4.238 1.00 0.00 O ATOM 1609 CB HIS A 108 3.547 2.890 6.864 1.00 0.00 C ATOM 1610 CG HIS A 108 4.077 4.240 7.254 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.272 4.402 7.937 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.577 5.508 7.067 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.451 5.721 8.133 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.448 6.440 7.623 1.00 0.00 N ATOM 0 H HIS A 108 1.271 1.284 5.615 1.00 0.00 H new ATOM 0 HA HIS A 108 1.621 3.664 7.317 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.697 2.175 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.085 2.507 5.997 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.650 5.744 6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.303 6.147 8.642 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.343 7.454 7.638 1.00 0.00 H new ATOM 1622 N MET A 109 0.921 4.510 5.006 1.00 0.00 N ATOM 1623 CA MET A 109 0.658 5.103 3.659 1.00 0.00 C ATOM 1624 C MET A 109 1.087 6.572 3.648 1.00 0.00 C ATOM 1625 O MET A 109 1.021 7.240 4.662 1.00 0.00 O ATOM 1626 CB MET A 109 -0.853 5.023 3.322 1.00 0.00 C ATOM 1627 CG MET A 109 -1.634 4.195 4.365 1.00 0.00 C ATOM 1628 SD MET A 109 -2.216 5.284 5.684 1.00 0.00 S ATOM 1629 CE MET A 109 -3.909 5.463 5.073 1.00 0.00 C ATOM 0 H MET A 109 0.307 4.839 5.751 1.00 0.00 H new ATOM 0 HA MET A 109 1.227 4.542 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.268 6.030 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.982 4.578 2.335 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.479 3.697 3.891 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.995 3.415 4.778 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.556 5.794 5.886 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.930 6.200 4.270 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.263 4.504 4.695 1.00 0.00 H new ATOM 1639 N LYS A 110 1.519 7.103 2.520 1.00 0.00 N ATOM 1640 CA LYS A 110 1.925 8.538 2.522 1.00 0.00 C ATOM 1641 C LYS A 110 1.471 9.204 1.222 1.00 0.00 C ATOM 1642 O LYS A 110 0.785 8.608 0.417 1.00 0.00 O ATOM 1643 CB LYS A 110 3.445 8.629 2.673 1.00 0.00 C ATOM 1644 CG LYS A 110 3.818 9.804 3.579 1.00 0.00 C ATOM 1645 CD LYS A 110 4.554 10.873 2.769 1.00 0.00 C ATOM 1646 CE LYS A 110 5.761 11.373 3.566 1.00 0.00 C ATOM 1647 NZ LYS A 110 5.642 12.843 3.776 1.00 0.00 N ATOM 0 H LYS A 110 1.604 6.616 1.628 1.00 0.00 H new ATOM 0 HA LYS A 110 1.454 9.057 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.832 7.700 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.908 8.754 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.920 10.229 4.027 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.449 9.457 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.880 10.461 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.883 11.702 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.814 10.861 4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.683 11.144 3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.462 13.184 4.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.612 13.324 2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.769 13.049 4.303 1.00 0.00 H new ATOM 1661 N LYS A 111 1.832 10.440 1.014 1.00 0.00 N ATOM 1662 CA LYS A 111 1.403 11.136 -0.232 1.00 0.00 C ATOM 1663 C LYS A 111 2.446 10.903 -1.324 1.00 0.00 C ATOM 1664 O LYS A 111 3.496 11.514 -1.343 1.00 0.00 O ATOM 1665 CB LYS A 111 1.255 12.635 0.044 1.00 0.00 C ATOM 1666 CG LYS A 111 0.822 13.353 -1.234 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.007 14.587 -0.866 1.00 0.00 C ATOM 1668 CE LYS A 111 0.905 15.646 -0.242 1.00 0.00 C ATOM 1669 NZ LYS A 111 0.760 15.611 1.239 1.00 0.00 N ATOM 0 H LYS A 111 2.403 10.997 1.650 1.00 0.00 H new ATOM 0 HA LYS A 111 0.443 10.741 -0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.520 12.799 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.200 13.044 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.697 13.648 -1.813 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.236 12.681 -1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -0.494 14.989 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.796 14.313 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.942 15.460 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.645 16.635 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 1.123 16.497 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.244 15.502 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 1.300 14.809 1.622 1.00 0.00 H new ATOM 1683 N ALA A 112 2.161 10.008 -2.225 1.00 0.00 N ATOM 1684 CA ALA A 112 3.121 9.701 -3.321 1.00 0.00 C ATOM 1685 C ALA A 112 3.463 10.957 -4.110 1.00 0.00 C ATOM 1686 O ALA A 112 2.711 11.906 -4.141 1.00 0.00 O ATOM 1687 CB ALA A 112 2.483 8.716 -4.271 1.00 0.00 C ATOM 0 H ALA A 112 1.295 9.470 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 112 4.029 9.293 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.179 8.485 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.234 7.801 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.575 9.150 -4.689 1.00 0.00 H new ATOM 1693 N LEU A 113 4.591 10.957 -4.767 1.00 0.00 N ATOM 1694 CA LEU A 113 4.989 12.142 -5.569 1.00 0.00 C ATOM 1695 C LEU A 113 5.151 13.349 -4.645 1.00 0.00 C ATOM 1696 O LEU A 113 5.196 14.479 -5.091 1.00 0.00 O ATOM 1697 CB LEU A 113 3.914 12.440 -6.614 1.00 0.00 C ATOM 1698 CG LEU A 113 4.552 12.498 -8.002 1.00 0.00 C ATOM 1699 CD1 LEU A 113 3.460 12.418 -9.070 1.00 0.00 C ATOM 1700 CD2 LEU A 113 5.319 13.815 -8.158 1.00 0.00 C ATOM 0 H LEU A 113 5.255 10.183 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 113 5.934 11.938 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.144 11.669 -6.588 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.425 13.387 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 113 5.239 11.660 -8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.915 12.459 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.913 11.482 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.773 13.256 -8.951 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.774 13.856 -9.148 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.632 14.653 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.098 13.875 -7.398 1.00 0.00 H new ATOM 1712 N SER A 114 5.234 13.126 -3.360 1.00 0.00 N ATOM 1713 CA SER A 114 5.387 14.268 -2.419 1.00 0.00 C ATOM 1714 C SER A 114 4.244 15.259 -2.639 1.00 0.00 C ATOM 1715 O SER A 114 4.352 16.426 -2.320 1.00 0.00 O ATOM 1716 CB SER A 114 6.723 14.967 -2.675 1.00 0.00 C ATOM 1717 OG SER A 114 7.267 15.407 -1.437 1.00 0.00 O ATOM 0 H SER A 114 5.202 12.204 -2.925 1.00 0.00 H new ATOM 0 HA SER A 114 5.362 13.901 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.415 14.284 -3.168 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.581 15.815 -3.345 1.00 0.00 H new ATOM 0 HG SER A 114 8.124 15.854 -1.597 1.00 0.00 H new ATOM 1723 N GLY A 115 3.145 14.807 -3.185 1.00 0.00 N ATOM 1724 CA GLY A 115 2.004 15.735 -3.422 1.00 0.00 C ATOM 1725 C GLY A 115 1.344 15.420 -4.764 1.00 0.00 C ATOM 1726 O GLY A 115 1.517 16.131 -5.733 1.00 0.00 O ATOM 0 H GLY A 115 2.990 13.841 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 115 1.275 15.640 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 115 2.356 16.767 -3.414 1.00 0.00 H new ATOM 1730 N ASP A 116 0.581 14.361 -4.827 1.00 0.00 N ATOM 1731 CA ASP A 116 -0.097 14.002 -6.105 1.00 0.00 C ATOM 1732 C ASP A 116 -0.815 12.661 -5.949 1.00 0.00 C ATOM 1733 O ASP A 116 -2.018 12.573 -6.094 1.00 0.00 O ATOM 1734 CB ASP A 116 0.937 13.898 -7.227 1.00 0.00 C ATOM 1735 CG ASP A 116 0.427 14.647 -8.460 1.00 0.00 C ATOM 1736 OD1 ASP A 116 0.214 15.845 -8.356 1.00 0.00 O ATOM 1737 OD2 ASP A 116 0.259 14.012 -9.487 1.00 0.00 O ATOM 0 H ASP A 116 0.398 13.729 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.824 14.776 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.888 14.319 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.119 12.852 -7.473 1.00 0.00 H new ATOM 1742 N SER A 117 -0.093 11.610 -5.656 1.00 0.00 N ATOM 1743 CA SER A 117 -0.757 10.283 -5.499 1.00 0.00 C ATOM 1744 C SER A 117 -0.763 9.873 -4.021 1.00 0.00 C ATOM 1745 O SER A 117 -0.483 10.666 -3.145 1.00 0.00 O ATOM 1746 CB SER A 117 -0.017 9.235 -6.330 1.00 0.00 C ATOM 1747 OG SER A 117 -0.849 8.817 -7.405 1.00 0.00 O ATOM 0 H SER A 117 0.918 11.613 -5.520 1.00 0.00 H new ATOM 0 HA SER A 117 -1.787 10.354 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.914 9.650 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.249 8.381 -5.707 1.00 0.00 H new ATOM 0 HG SER A 117 -1.407 9.567 -7.697 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.099 8.642 -3.739 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.148 8.177 -2.316 1.00 0.00 C ATOM 1755 C TYR A 118 -0.812 6.686 -2.280 1.00 0.00 C ATOM 1756 O TYR A 118 -1.408 5.900 -2.990 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.570 8.380 -1.758 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.197 9.595 -2.373 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -2.902 10.867 -1.881 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.071 9.439 -3.449 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.486 11.989 -2.471 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.653 10.553 -4.040 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.363 11.836 -3.553 1.00 0.00 C ATOM 1764 OH TYR A 118 -4.940 12.944 -4.138 1.00 0.00 O ATOM 0 H TYR A 118 -1.343 7.935 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.436 8.744 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.180 7.501 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.531 8.490 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.225 10.983 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.295 8.451 -3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.262 12.976 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.328 10.431 -4.874 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.444 13.748 -3.876 1.00 0.00 H new ATOM 1774 N TRP A 119 0.133 6.278 -1.473 1.00 0.00 N ATOM 1775 CA TRP A 119 0.469 4.830 -1.440 1.00 0.00 C ATOM 1776 C TRP A 119 0.353 4.251 -0.039 1.00 0.00 C ATOM 1777 O TRP A 119 0.566 4.920 0.939 1.00 0.00 O ATOM 1778 CB TRP A 119 1.856 4.588 -2.030 1.00 0.00 C ATOM 1779 CG TRP A 119 2.874 5.542 -1.505 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.458 6.528 -2.208 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.475 5.564 -0.204 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.394 7.158 -1.408 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.441 6.590 -0.155 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.266 4.790 0.919 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.189 6.828 0.994 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 4.012 5.012 2.086 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.976 6.030 2.121 1.00 0.00 C ATOM 0 H TRP A 119 0.676 6.874 -0.848 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.261 4.307 -2.058 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.169 3.568 -1.807 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.806 4.676 -3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.233 6.786 -3.232 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.974 7.942 -1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.522 4.007 0.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.924 7.619 1.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.844 4.398 2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.553 6.197 3.018 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.010 2.993 0.049 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.168 2.330 1.376 1.00 0.00 C ATOM 1800 C VAL A 120 0.734 1.094 1.450 1.00 0.00 C ATOM 1801 O VAL A 120 0.487 0.092 0.807 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.634 1.903 1.567 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.858 1.496 3.024 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.556 3.072 1.213 1.00 0.00 C ATOM 0 H VAL A 120 -0.205 2.394 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 120 0.115 3.031 2.161 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.856 1.058 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.896 1.193 3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.201 0.663 3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.637 2.341 3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.595 2.770 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.337 3.918 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.394 3.361 0.175 1.00 0.00 H new ATOM 1814 N PHE A 121 1.771 1.155 2.242 1.00 0.00 N ATOM 1815 CA PHE A 121 2.678 -0.019 2.375 1.00 0.00 C ATOM 1816 C PHE A 121 2.149 -0.918 3.474 1.00 0.00 C ATOM 1817 O PHE A 121 1.930 -0.486 4.589 1.00 0.00 O ATOM 1818 CB PHE A 121 4.113 0.428 2.740 1.00 0.00 C ATOM 1819 CG PHE A 121 4.617 1.460 1.741 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.987 1.616 0.494 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.703 2.283 2.074 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.446 2.575 -0.413 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.149 3.248 1.168 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.526 3.391 -0.074 1.00 0.00 C ATOM 0 H PHE A 121 2.028 1.968 2.802 1.00 0.00 H new ATOM 0 HA PHE A 121 2.711 -0.548 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.125 0.849 3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.779 -0.435 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.144 0.992 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.194 2.171 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.966 2.684 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.980 3.887 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.881 4.134 -0.773 1.00 0.00 H new ATOM 1834 N VAL A 122 1.952 -2.164 3.184 1.00 0.00 N ATOM 1835 CA VAL A 122 1.459 -3.080 4.228 1.00 0.00 C ATOM 1836 C VAL A 122 2.637 -3.932 4.701 1.00 0.00 C ATOM 1837 O VAL A 122 3.168 -4.738 3.962 1.00 0.00 O ATOM 1838 CB VAL A 122 0.325 -3.952 3.646 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.378 -5.394 4.175 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -1.011 -3.336 4.043 1.00 0.00 C ATOM 0 H VAL A 122 2.111 -2.586 2.269 1.00 0.00 H new ATOM 0 HA VAL A 122 1.053 -2.532 5.078 1.00 0.00 H new ATOM 0 HB VAL A 122 0.444 -3.986 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.438 -5.971 3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.330 -5.847 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.279 -5.387 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.824 -3.940 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.088 -3.303 5.130 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.078 -2.324 3.644 1.00 0.00 H new ATOM 1850 N LYS A 123 3.026 -3.776 5.924 1.00 0.00 N ATOM 1851 CA LYS A 123 4.153 -4.599 6.446 1.00 0.00 C ATOM 1852 C LYS A 123 3.568 -5.877 7.027 1.00 0.00 C ATOM 1853 O LYS A 123 2.874 -5.849 8.025 1.00 0.00 O ATOM 1854 CB LYS A 123 4.900 -3.836 7.539 1.00 0.00 C ATOM 1855 CG LYS A 123 6.295 -4.434 7.722 1.00 0.00 C ATOM 1856 CD LYS A 123 7.192 -3.985 6.572 1.00 0.00 C ATOM 1857 CE LYS A 123 8.459 -3.334 7.125 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.533 -4.361 7.270 1.00 0.00 N ATOM 0 H LYS A 123 2.619 -3.118 6.589 1.00 0.00 H new ATOM 0 HA LYS A 123 4.854 -4.826 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.978 -2.782 7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.346 -3.888 8.476 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.718 -4.114 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.236 -5.522 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.454 -4.840 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.657 -3.279 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.791 -2.539 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.251 -2.874 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.338 -3.951 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.164 -5.177 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.847 -4.671 6.328 1.00 0.00 H new ATOM 1872 N ARG A 124 3.819 -6.999 6.413 1.00 0.00 N ATOM 1873 CA ARG A 124 3.239 -8.257 6.958 1.00 0.00 C ATOM 1874 C ARG A 124 3.882 -8.554 8.312 1.00 0.00 C ATOM 1875 O ARG A 124 5.042 -8.904 8.406 1.00 0.00 O ATOM 1876 CB ARG A 124 3.474 -9.415 5.977 1.00 0.00 C ATOM 1877 CG ARG A 124 3.223 -8.934 4.545 1.00 0.00 C ATOM 1878 CD ARG A 124 3.022 -10.143 3.629 1.00 0.00 C ATOM 1879 NE ARG A 124 4.249 -10.359 2.813 1.00 0.00 N ATOM 1880 CZ ARG A 124 5.393 -10.579 3.401 1.00 0.00 C ATOM 1881 NH1 ARG A 124 5.446 -11.337 4.463 1.00 0.00 N ATOM 1882 NH2 ARG A 124 6.484 -10.043 2.928 1.00 0.00 N ATOM 0 H ARG A 124 4.389 -7.100 5.573 1.00 0.00 H new ATOM 0 HA ARG A 124 2.163 -8.142 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.495 -9.785 6.073 1.00 0.00 H new ATOM 0 HB3 ARG A 124 2.810 -10.246 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 124 2.343 -8.291 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 124 4.066 -8.337 4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.807 -11.031 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.163 -9.980 2.978 1.00 0.00 H new ATOM 0 HE ARG A 124 4.195 -10.335 1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.593 -11.757 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 124 6.340 -11.509 4.923 1.00 0.00 H new ATOM 0 HH21 ARG A 124 6.443 -9.451 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 124 7.378 -10.215 3.388 1.00 0.00 H new ATOM 1896 N VAL A 125 3.126 -8.400 9.365 1.00 0.00 N ATOM 1897 CA VAL A 125 3.673 -8.652 10.731 1.00 0.00 C ATOM 1898 C VAL A 125 3.663 -10.156 11.006 1.00 0.00 C ATOM 1899 O VAL A 125 4.735 -10.715 11.172 1.00 0.00 O ATOM 1900 CB VAL A 125 2.833 -7.935 11.813 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.770 -7.329 12.850 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.989 -6.805 11.219 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.584 -10.724 11.045 1.00 0.00 O ATOM 0 H VAL A 125 2.149 -8.109 9.339 1.00 0.00 H new ATOM 0 HA VAL A 125 4.690 -8.262 10.770 1.00 0.00 H new ATOM 0 HB VAL A 125 2.167 -8.673 12.260 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.185 -6.821 13.617 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.363 -8.119 13.310 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.433 -6.612 12.366 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.413 -6.326 12.011 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.643 -6.070 10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.308 -7.213 10.472 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.975 -5.787 3.693 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.722 -6.743 3.752 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.699 -5.755 2.901 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.388 -6.820 2.239 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -6.120 -6.911 1.461 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.839 -8.113 0.801 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -4.652 -8.239 0.079 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.743 -7.164 0.017 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -4.022 -5.954 0.676 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -5.220 -5.822 1.403 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.697 -7.293 -0.595 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.452 -4.889 1.917 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -3.316 -5.125 0.624 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -4.427 -9.172 -0.439 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -8.068 -7.671 2.250 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -6.542 -8.944 0.851 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -7.062 -4.870 2.885 1.00 0.00 H new