USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 28 SER OG : rot 35:sc= 1.07 USER MOD Set 1.3: A 85 ASN :FLIP amide:sc= -0.648 F(o=-1.9!,f=0.42) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.195 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0544 (180deg=-0.321) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.31! C(o=-3.6!,f=-2.3!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -120:sc= -0.338 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0248 F(o=-1.5!,f=-0.025) USER MOD Single : A 27 GLN :FLIP amide:sc=-0.00442 F(o=-1.6!,f=-0.0044) USER MOD Single : A 30 MET CE :methyl 177:sc= -0.23 (180deg=-0.245) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 11:sc=-0.00348 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.006 (180deg=-0.248) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0417 USER MOD Single : A 46 THR OG1 : rot 177:sc= 0.443 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 161:sc= -5.84! (180deg=-8.02!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 110:sc= -0.496 USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0611 (180deg=-0.5) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.09) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc=9.89e-05 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0863 F(o=-0.87,f=-0.086) USER MOD Single : A 94 MET CE :methyl -148:sc= -0.655 (180deg=-2.87!) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 1.24 K(o=1.2,f=-1.7!) USER MOD Single : A 109 SER OG : rot 170:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -33:sc= -1.72! USER MOD Single : A 115 HIS :FLIP no HD1:sc= -1.2 F(o=-2.3!,f=-1.2) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -0.178 F(o=-1.6,f=-0.18) USER MOD Single : A 117 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-3!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 119 HIS : no HD1:sc= -0.88 K(o=-0.88,f=-2.9) USER MOD Single : A 120 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.569 5.494 7.528 1.00 0.00 N ATOM 2 CA MET A 1 12.210 4.169 8.086 1.00 0.00 C ATOM 3 C MET A 1 10.769 3.801 7.691 1.00 0.00 C ATOM 4 O MET A 1 10.095 4.516 6.968 1.00 0.00 O ATOM 5 CB MET A 1 12.339 4.198 9.621 1.00 0.00 C ATOM 6 CG MET A 1 13.817 4.316 10.017 1.00 0.00 C ATOM 7 SD MET A 1 13.954 4.448 11.819 1.00 0.00 S ATOM 8 CE MET A 1 13.362 2.787 12.228 1.00 0.00 C ATOM 0 H1 MET A 1 13.437 5.409 6.962 1.00 0.00 H new ATOM 0 H2 MET A 1 11.795 5.838 6.925 1.00 0.00 H new ATOM 0 H3 MET A 1 12.727 6.167 8.305 1.00 0.00 H new ATOM 0 HA MET A 1 12.890 3.419 7.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.776 5.039 10.026 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.910 3.292 10.048 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.370 3.446 9.663 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.262 5.191 9.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.762 2.486 13.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.273 2.789 12.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.694 2.084 11.464 1.00 0.00 H new ATOM 20 N ALA A 2 10.333 2.680 8.188 1.00 0.00 N ATOM 21 CA ALA A 2 8.958 2.116 7.943 1.00 0.00 C ATOM 22 C ALA A 2 8.027 2.968 7.053 1.00 0.00 C ATOM 23 O ALA A 2 7.319 3.844 7.523 1.00 0.00 O ATOM 24 CB ALA A 2 8.297 1.913 9.303 1.00 0.00 C ATOM 0 H ALA A 2 10.905 2.090 8.793 1.00 0.00 H new ATOM 0 HA ALA A 2 9.102 1.190 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.296 1.504 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.893 1.220 9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.229 2.870 9.821 1.00 0.00 H new ATOM 30 N GLU A 3 7.983 2.668 5.775 1.00 0.00 N ATOM 31 CA GLU A 3 7.061 3.405 4.852 1.00 0.00 C ATOM 32 C GLU A 3 6.760 2.545 3.613 1.00 0.00 C ATOM 33 O GLU A 3 7.427 1.564 3.346 1.00 0.00 O ATOM 34 CB GLU A 3 7.672 4.731 4.408 1.00 0.00 C ATOM 35 CG GLU A 3 8.974 4.470 3.657 1.00 0.00 C ATOM 36 CD GLU A 3 9.636 5.804 3.319 1.00 0.00 C ATOM 37 OE1 GLU A 3 9.580 6.695 4.150 1.00 0.00 O ATOM 38 OE2 GLU A 3 10.187 5.913 2.236 1.00 0.00 O ATOM 0 H GLU A 3 8.547 1.943 5.331 1.00 0.00 H new ATOM 0 HA GLU A 3 6.137 3.610 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.973 5.269 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.861 5.364 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.643 3.862 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.775 3.908 2.745 1.00 0.00 H new ATOM 45 N ILE A 4 5.756 2.921 2.852 1.00 0.00 N ATOM 46 CA ILE A 4 5.391 2.151 1.620 1.00 0.00 C ATOM 47 C ILE A 4 5.796 2.957 0.387 1.00 0.00 C ATOM 48 O ILE A 4 5.497 4.132 0.275 1.00 0.00 O ATOM 49 CB ILE A 4 3.879 1.913 1.592 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.470 1.106 2.826 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.513 1.131 0.326 1.00 0.00 C ATOM 52 CD1 ILE A 4 1.946 1.105 2.963 1.00 0.00 C ATOM 0 H ILE A 4 5.170 3.736 3.035 1.00 0.00 H new ATOM 0 HA ILE A 4 5.909 1.192 1.623 1.00 0.00 H new ATOM 0 HB ILE A 4 3.357 2.870 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.837 0.083 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.924 1.535 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.437 0.960 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.808 1.703 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.033 0.173 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.660 0.529 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.589 2.130 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.501 0.656 2.075 1.00 0.00 H new ATOM 64 N GLN A 5 6.489 2.336 -0.536 1.00 0.00 N ATOM 65 CA GLN A 5 6.939 3.055 -1.770 1.00 0.00 C ATOM 66 C GLN A 5 6.566 2.243 -3.010 1.00 0.00 C ATOM 67 O GLN A 5 6.628 1.028 -3.021 1.00 0.00 O ATOM 68 CB GLN A 5 8.457 3.239 -1.717 1.00 0.00 C ATOM 69 CG GLN A 5 8.809 4.199 -0.580 1.00 0.00 C ATOM 70 CD GLN A 5 10.326 4.370 -0.501 1.00 0.00 C ATOM 71 OE1 GLN A 5 10.924 4.236 0.652 1.00 0.00 O flip ATOM 72 NE2 GLN A 5 10.975 4.622 -1.496 1.00 0.00 N flip ATOM 0 H GLN A 5 6.764 1.355 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 5 6.450 4.028 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.946 2.278 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 5 8.821 3.632 -2.666 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.333 5.165 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.427 3.814 0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.508 4.727 -2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.987 4.729 -1.431 1.00 0.00 H new ATOM 81 N PHE A 6 6.184 2.922 -4.053 1.00 0.00 N ATOM 82 CA PHE A 6 5.801 2.233 -5.318 1.00 0.00 C ATOM 83 C PHE A 6 7.042 1.644 -5.991 1.00 0.00 C ATOM 84 O PHE A 6 7.263 0.449 -5.994 1.00 0.00 O ATOM 85 CB PHE A 6 5.171 3.255 -6.265 1.00 0.00 C ATOM 86 CG PHE A 6 3.824 3.682 -5.743 1.00 0.00 C ATOM 87 CD1 PHE A 6 2.683 2.944 -6.071 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.715 4.817 -4.929 1.00 0.00 C ATOM 89 CE1 PHE A 6 1.433 3.339 -5.587 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.464 5.212 -4.445 1.00 0.00 C ATOM 91 CZ PHE A 6 1.322 4.472 -4.774 1.00 0.00 C ATOM 0 H PHE A 6 6.119 3.939 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 6 5.096 1.433 -5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.824 4.123 -6.363 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.064 2.823 -7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 6 2.768 2.069 -6.698 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.597 5.387 -4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.552 2.769 -5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.379 6.087 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.355 4.776 -4.400 1.00 0.00 H new ATOM 101 N SER A 7 7.844 2.487 -6.588 1.00 0.00 N ATOM 102 CA SER A 7 9.066 2.002 -7.294 1.00 0.00 C ATOM 103 C SER A 7 10.286 2.075 -6.370 1.00 0.00 C ATOM 104 O SER A 7 10.497 3.043 -5.665 1.00 0.00 O ATOM 105 CB SER A 7 9.305 2.871 -8.527 1.00 0.00 C ATOM 106 OG SER A 7 10.562 2.540 -9.103 1.00 0.00 O ATOM 0 H SER A 7 7.703 3.497 -6.617 1.00 0.00 H new ATOM 0 HA SER A 7 8.918 0.964 -7.590 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.508 2.717 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.285 3.925 -8.251 1.00 0.00 H new ATOM 0 HG SER A 7 10.715 3.096 -9.895 1.00 0.00 H new ATOM 112 N LYS A 8 11.086 1.041 -6.374 1.00 0.00 N ATOM 113 CA LYS A 8 12.293 1.011 -5.503 1.00 0.00 C ATOM 114 C LYS A 8 13.310 2.063 -5.947 1.00 0.00 C ATOM 115 O LYS A 8 13.555 2.261 -7.123 1.00 0.00 O ATOM 116 CB LYS A 8 12.947 -0.366 -5.582 1.00 0.00 C ATOM 117 CG LYS A 8 12.044 -1.405 -4.917 1.00 0.00 C ATOM 118 CD LYS A 8 12.668 -2.802 -5.060 1.00 0.00 C ATOM 119 CE LYS A 8 13.846 -2.959 -4.087 1.00 0.00 C ATOM 120 NZ LYS A 8 14.199 -4.400 -3.962 1.00 0.00 N ATOM 0 H LYS A 8 10.952 0.210 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 8 11.981 1.225 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.123 -0.636 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.919 -0.346 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.910 -1.163 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.056 -1.389 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.917 -3.566 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.010 -2.952 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.706 -2.393 -4.446 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.582 -2.552 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.997 -4.506 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.379 -4.928 -3.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.468 -4.774 -4.894 1.00 0.00 H new ATOM 134 N GLY A 9 13.906 2.732 -4.999 1.00 0.00 N ATOM 135 CA GLY A 9 14.918 3.779 -5.323 1.00 0.00 C ATOM 136 C GLY A 9 14.226 5.143 -5.361 1.00 0.00 C ATOM 137 O GLY A 9 14.865 6.178 -5.395 1.00 0.00 O ATOM 0 H GLY A 9 13.734 2.597 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 9 15.712 3.780 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.385 3.567 -6.285 1.00 0.00 H new ATOM 141 N VAL A 10 12.918 5.152 -5.359 1.00 0.00 N ATOM 142 CA VAL A 10 12.171 6.447 -5.397 1.00 0.00 C ATOM 143 C VAL A 10 11.749 6.856 -3.987 1.00 0.00 C ATOM 144 O VAL A 10 10.929 6.219 -3.353 1.00 0.00 O ATOM 145 CB VAL A 10 10.932 6.291 -6.276 1.00 0.00 C ATOM 146 CG1 VAL A 10 10.271 7.658 -6.465 1.00 0.00 C ATOM 147 CG2 VAL A 10 11.345 5.732 -7.643 1.00 0.00 C ATOM 0 H VAL A 10 12.333 4.317 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 10 12.820 7.220 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 10 10.229 5.607 -5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.386 7.551 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.981 8.059 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.974 8.339 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.462 5.620 -8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.046 6.418 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.821 4.761 -7.510 1.00 0.00 H new ATOM 157 N ALA A 11 12.311 7.927 -3.499 1.00 0.00 N ATOM 158 CA ALA A 11 11.967 8.407 -2.133 1.00 0.00 C ATOM 159 C ALA A 11 10.622 9.135 -2.148 1.00 0.00 C ATOM 160 O ALA A 11 10.321 9.901 -3.044 1.00 0.00 O ATOM 161 CB ALA A 11 13.056 9.362 -1.649 1.00 0.00 C ATOM 0 H ALA A 11 13.000 8.494 -3.993 1.00 0.00 H new ATOM 0 HA ALA A 11 11.896 7.551 -1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.810 9.717 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.013 8.840 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.124 10.211 -2.329 1.00 0.00 H new ATOM 167 N GLU A 12 9.821 8.903 -1.148 1.00 0.00 N ATOM 168 CA GLU A 12 8.496 9.575 -1.070 1.00 0.00 C ATOM 169 C GLU A 12 7.851 9.267 0.286 1.00 0.00 C ATOM 170 O GLU A 12 7.877 8.149 0.766 1.00 0.00 O ATOM 171 CB GLU A 12 7.592 9.089 -2.208 1.00 0.00 C ATOM 172 CG GLU A 12 7.408 7.573 -2.115 1.00 0.00 C ATOM 173 CD GLU A 12 6.581 7.089 -3.308 1.00 0.00 C ATOM 174 OE1 GLU A 12 5.731 7.839 -3.758 1.00 0.00 O ATOM 175 OE2 GLU A 12 6.811 5.974 -3.750 1.00 0.00 O ATOM 0 H GLU A 12 10.029 8.271 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 12 8.629 10.652 -1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.623 9.586 -2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.031 9.353 -3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.379 7.077 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.908 7.312 -1.182 1.00 0.00 H new ATOM 182 N THR A 13 7.288 10.265 0.911 1.00 0.00 N ATOM 183 CA THR A 13 6.641 10.071 2.246 1.00 0.00 C ATOM 184 C THR A 13 5.147 9.757 2.059 1.00 0.00 C ATOM 185 O THR A 13 4.695 8.650 2.284 1.00 0.00 O ATOM 186 CB THR A 13 6.793 11.364 3.055 1.00 0.00 C ATOM 187 OG1 THR A 13 8.169 11.704 3.151 1.00 0.00 O ATOM 188 CG2 THR A 13 6.216 11.171 4.456 1.00 0.00 C ATOM 0 H THR A 13 7.247 11.219 0.551 1.00 0.00 H new ATOM 0 HA THR A 13 7.115 9.241 2.770 1.00 0.00 H new ATOM 0 HB THR A 13 6.253 12.167 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.266 12.532 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.327 12.094 5.026 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.159 10.915 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.749 10.366 4.961 1.00 0.00 H new ATOM 196 N VAL A 14 4.382 10.735 1.643 1.00 0.00 N ATOM 197 CA VAL A 14 2.913 10.532 1.429 1.00 0.00 C ATOM 198 C VAL A 14 2.254 9.971 2.693 1.00 0.00 C ATOM 199 O VAL A 14 2.910 9.465 3.583 1.00 0.00 O ATOM 200 CB VAL A 14 2.686 9.573 0.254 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.181 9.402 0.009 1.00 0.00 C ATOM 202 CG2 VAL A 14 3.339 10.161 -0.998 1.00 0.00 C ATOM 0 H VAL A 14 4.715 11.677 1.440 1.00 0.00 H new ATOM 0 HA VAL A 14 2.460 11.497 1.202 1.00 0.00 H new ATOM 0 HB VAL A 14 3.125 8.602 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.024 8.720 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.711 8.994 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.738 10.370 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.184 9.487 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.891 11.129 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.408 10.286 -0.826 1.00 0.00 H new ATOM 212 N VAL A 15 0.946 10.067 2.778 1.00 0.00 N ATOM 213 CA VAL A 15 0.213 9.551 3.976 1.00 0.00 C ATOM 214 C VAL A 15 -1.004 8.734 3.520 1.00 0.00 C ATOM 215 O VAL A 15 -2.111 9.235 3.477 1.00 0.00 O ATOM 216 CB VAL A 15 -0.254 10.728 4.832 1.00 0.00 C ATOM 217 CG1 VAL A 15 -0.961 10.187 6.075 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.964 11.551 5.259 1.00 0.00 C ATOM 0 H VAL A 15 0.352 10.485 2.061 1.00 0.00 H new ATOM 0 HA VAL A 15 0.877 8.915 4.562 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.939 11.356 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.298 11.019 6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.820 9.588 5.773 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.269 9.568 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.638 12.393 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.642 10.924 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.480 11.923 4.374 1.00 0.00 H new ATOM 228 N PRO A 16 -0.797 7.488 3.166 1.00 0.00 N ATOM 229 CA PRO A 16 -1.881 6.584 2.688 1.00 0.00 C ATOM 230 C PRO A 16 -2.704 5.992 3.837 1.00 0.00 C ATOM 231 O PRO A 16 -2.209 5.750 4.921 1.00 0.00 O ATOM 232 CB PRO A 16 -1.117 5.493 1.933 1.00 0.00 C ATOM 233 CG PRO A 16 0.200 5.396 2.635 1.00 0.00 C ATOM 234 CD PRO A 16 0.507 6.796 3.188 1.00 0.00 C ATOM 0 HA PRO A 16 -2.614 7.107 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.652 4.544 1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.988 5.755 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.157 4.662 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.982 5.071 1.949 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.914 6.745 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.243 7.314 2.574 1.00 0.00 H new ATOM 242 N GLU A 17 -3.964 5.754 3.597 1.00 0.00 N ATOM 243 CA GLU A 17 -4.839 5.176 4.660 1.00 0.00 C ATOM 244 C GLU A 17 -4.874 3.656 4.520 1.00 0.00 C ATOM 245 O GLU A 17 -4.882 3.115 3.429 1.00 0.00 O ATOM 246 CB GLU A 17 -6.260 5.740 4.517 1.00 0.00 C ATOM 247 CG GLU A 17 -6.246 7.244 4.837 1.00 0.00 C ATOM 248 CD GLU A 17 -5.771 8.036 3.614 1.00 0.00 C ATOM 249 OE1 GLU A 17 -5.408 7.413 2.631 1.00 0.00 O ATOM 250 OE2 GLU A 17 -5.814 9.255 3.670 1.00 0.00 O ATOM 0 H GLU A 17 -4.429 5.935 2.707 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.443 5.440 5.641 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.628 5.576 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.940 5.219 5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.244 7.572 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.588 7.438 5.684 1.00 0.00 H new ATOM 257 N VAL A 18 -4.879 2.961 5.626 1.00 0.00 N ATOM 258 CA VAL A 18 -4.896 1.472 5.585 1.00 0.00 C ATOM 259 C VAL A 18 -6.319 0.954 5.774 1.00 0.00 C ATOM 260 O VAL A 18 -7.006 1.302 6.716 1.00 0.00 O ATOM 261 CB VAL A 18 -4.010 0.936 6.707 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.874 -0.581 6.567 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.626 1.584 6.610 1.00 0.00 C ATOM 0 H VAL A 18 -4.872 3.365 6.562 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.524 1.135 4.618 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.458 1.172 7.672 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.242 -0.965 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.860 -1.042 6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.424 -0.819 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.990 1.204 7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.179 1.344 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.723 2.665 6.706 1.00 0.00 H new ATOM 273 N ARG A 19 -6.758 0.113 4.876 1.00 0.00 N ATOM 274 CA ARG A 19 -8.134 -0.465 4.963 1.00 0.00 C ATOM 275 C ARG A 19 -8.043 -1.984 4.877 1.00 0.00 C ATOM 276 O ARG A 19 -7.214 -2.535 4.176 1.00 0.00 O ATOM 277 CB ARG A 19 -8.977 0.068 3.803 1.00 0.00 C ATOM 278 CG ARG A 19 -9.073 1.599 3.881 1.00 0.00 C ATOM 279 CD ARG A 19 -10.141 2.016 4.899 1.00 0.00 C ATOM 280 NE ARG A 19 -11.452 1.426 4.509 1.00 0.00 N ATOM 281 CZ ARG A 19 -12.205 2.015 3.618 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.815 3.128 3.057 1.00 0.00 N ATOM 283 NH2 ARG A 19 -13.349 1.487 3.287 1.00 0.00 N ATOM 0 H ARG A 19 -6.214 -0.204 4.073 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.598 -0.182 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.532 -0.228 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.975 -0.369 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.107 2.016 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.319 2.005 2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.860 1.678 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.216 3.103 4.940 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.764 0.556 4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.919 3.542 3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.407 3.584 2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.654 0.617 3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.939 1.944 2.592 1.00 0.00 H new ATOM 297 N LEU A 20 -8.881 -2.665 5.610 1.00 0.00 N ATOM 298 CA LEU A 20 -8.849 -4.157 5.616 1.00 0.00 C ATOM 299 C LEU A 20 -9.865 -4.713 4.628 1.00 0.00 C ATOM 300 O LEU A 20 -10.981 -4.242 4.521 1.00 0.00 O ATOM 301 CB LEU A 20 -9.176 -4.660 7.027 1.00 0.00 C ATOM 302 CG LEU A 20 -7.924 -4.576 7.915 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.866 -5.613 7.465 1.00 0.00 C ATOM 304 CD2 LEU A 20 -7.335 -3.159 7.830 1.00 0.00 C ATOM 0 H LEU A 20 -9.593 -2.249 6.210 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.855 -4.495 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.979 -4.063 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.533 -5.689 6.982 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.205 -4.796 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.987 -5.538 8.106 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.285 -6.616 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.580 -5.416 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.447 -3.096 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.065 -2.939 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.075 -2.436 8.174 1.00 0.00 H new ATOM 316 N SER A 21 -9.471 -5.728 3.909 1.00 0.00 N ATOM 317 CA SER A 21 -10.382 -6.357 2.913 1.00 0.00 C ATOM 318 C SER A 21 -10.305 -7.876 3.058 1.00 0.00 C ATOM 319 O SER A 21 -9.260 -8.431 3.339 1.00 0.00 O ATOM 320 CB SER A 21 -9.943 -5.962 1.509 1.00 0.00 C ATOM 321 OG SER A 21 -10.858 -6.504 0.567 1.00 0.00 O ATOM 0 H SER A 21 -8.546 -6.153 3.971 1.00 0.00 H new ATOM 0 HA SER A 21 -11.405 -6.021 3.083 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.908 -4.876 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.937 -6.332 1.312 1.00 0.00 H new ATOM 0 HG SER A 21 -10.381 -7.104 -0.044 1.00 0.00 H new ATOM 327 N LYS A 22 -11.413 -8.551 2.869 1.00 0.00 N ATOM 328 CA LYS A 22 -11.431 -10.044 2.992 1.00 0.00 C ATOM 329 C LYS A 22 -11.950 -10.663 1.698 1.00 0.00 C ATOM 330 O LYS A 22 -12.841 -10.147 1.050 1.00 0.00 O ATOM 331 CB LYS A 22 -12.338 -10.451 4.155 1.00 0.00 C ATOM 332 CG LYS A 22 -11.786 -9.890 5.472 1.00 0.00 C ATOM 333 CD LYS A 22 -10.401 -10.491 5.764 1.00 0.00 C ATOM 334 CE LYS A 22 -10.092 -10.390 7.254 1.00 0.00 C ATOM 335 NZ LYS A 22 -8.739 -10.957 7.510 1.00 0.00 N ATOM 0 H LYS A 22 -12.312 -8.130 2.633 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.418 -10.401 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.348 -10.078 3.987 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.404 -11.537 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.714 -8.804 5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.470 -10.120 6.289 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.374 -11.534 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.639 -9.965 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.131 -9.350 7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.842 -10.931 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.521 -10.891 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.719 -11.954 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.030 -10.422 6.969 1.00 0.00 H new ATOM 349 N SER A 23 -11.374 -11.768 1.319 1.00 0.00 N ATOM 350 CA SER A 23 -11.783 -12.455 0.064 1.00 0.00 C ATOM 351 C SER A 23 -13.175 -13.073 0.221 1.00 0.00 C ATOM 352 O SER A 23 -13.732 -13.132 1.299 1.00 0.00 O ATOM 353 CB SER A 23 -10.766 -13.554 -0.252 1.00 0.00 C ATOM 354 OG SER A 23 -9.578 -12.956 -0.754 1.00 0.00 O ATOM 0 H SER A 23 -10.625 -12.231 1.834 1.00 0.00 H new ATOM 0 HA SER A 23 -11.816 -11.729 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.546 -14.132 0.645 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.177 -14.248 -0.985 1.00 0.00 H new ATOM 0 HG SER A 23 -8.921 -13.654 -0.957 1.00 0.00 H new ATOM 360 N LYS A 24 -13.737 -13.530 -0.866 1.00 0.00 N ATOM 361 CA LYS A 24 -15.093 -14.148 -0.811 1.00 0.00 C ATOM 362 C LYS A 24 -15.054 -15.382 0.101 1.00 0.00 C ATOM 363 O LYS A 24 -15.939 -15.604 0.906 1.00 0.00 O ATOM 364 CB LYS A 24 -15.504 -14.569 -2.228 1.00 0.00 C ATOM 365 CG LYS A 24 -15.723 -13.323 -3.099 1.00 0.00 C ATOM 366 CD LYS A 24 -16.114 -13.749 -4.522 1.00 0.00 C ATOM 367 CE LYS A 24 -16.341 -12.506 -5.389 1.00 0.00 C ATOM 368 NZ LYS A 24 -16.721 -12.922 -6.770 1.00 0.00 N ATOM 0 H LYS A 24 -13.313 -13.502 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.813 -13.431 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.732 -15.200 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.417 -15.162 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -16.506 -12.699 -2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.814 -12.722 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.329 -14.368 -4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.019 -14.355 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.126 -11.887 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.436 -11.900 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.875 -12.077 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.958 -13.496 -7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.596 -13.483 -6.735 1.00 0.00 H new ATOM 382 N ASN A 25 -14.033 -16.186 -0.018 1.00 0.00 N ATOM 383 CA ASN A 25 -13.924 -17.401 0.847 1.00 0.00 C ATOM 384 C ASN A 25 -13.737 -16.974 2.310 1.00 0.00 C ATOM 385 O ASN A 25 -14.289 -17.561 3.222 1.00 0.00 O ATOM 386 CB ASN A 25 -12.717 -18.235 0.405 1.00 0.00 C ATOM 387 CG ASN A 25 -12.986 -18.870 -0.964 1.00 0.00 C ATOM 388 OD1 ASN A 25 -14.209 -18.954 -1.412 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 -12.066 -19.294 -1.638 1.00 0.00 N flip ATOM 0 H ASN A 25 -13.266 -16.056 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.833 -17.995 0.754 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.829 -17.605 0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.514 -19.013 1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.109 -19.230 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.252 -19.713 -2.549 1.00 0.00 H new ATOM 396 N GLY A 26 -12.948 -15.956 2.537 1.00 0.00 N ATOM 397 CA GLY A 26 -12.700 -15.483 3.934 1.00 0.00 C ATOM 398 C GLY A 26 -11.511 -16.246 4.530 1.00 0.00 C ATOM 399 O GLY A 26 -11.079 -15.982 5.638 1.00 0.00 O ATOM 0 H GLY A 26 -12.462 -15.429 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.496 -14.412 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.589 -15.639 4.545 1.00 0.00 H new ATOM 403 N GLN A 27 -10.976 -17.190 3.802 1.00 0.00 N ATOM 404 CA GLN A 27 -9.811 -17.974 4.312 1.00 0.00 C ATOM 405 C GLN A 27 -8.513 -17.344 3.796 1.00 0.00 C ATOM 406 O GLN A 27 -7.426 -17.748 4.161 1.00 0.00 O ATOM 407 CB GLN A 27 -9.919 -19.423 3.809 1.00 0.00 C ATOM 408 CG GLN A 27 -9.704 -19.471 2.290 1.00 0.00 C ATOM 409 CD GLN A 27 -10.073 -20.862 1.761 1.00 0.00 C ATOM 410 OE1 GLN A 27 -10.573 -21.751 2.575 1.00 0.00 O flip ATOM 411 NE2 GLN A 27 -9.905 -21.142 0.588 1.00 0.00 N flip ATOM 0 H GLN A 27 -11.297 -17.454 2.871 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.808 -17.967 5.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.177 -20.046 4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.899 -19.831 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.315 -18.712 1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.665 -19.245 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.514 -20.449 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.155 -22.069 0.244 1.00 0.00 H new ATOM 420 N SER A 28 -8.621 -16.354 2.943 1.00 0.00 N ATOM 421 CA SER A 28 -7.400 -15.687 2.384 1.00 0.00 C ATOM 422 C SER A 28 -7.287 -14.261 2.921 1.00 0.00 C ATOM 423 O SER A 28 -8.173 -13.443 2.765 1.00 0.00 O ATOM 424 CB SER A 28 -7.492 -15.652 0.859 1.00 0.00 C ATOM 425 OG SER A 28 -6.550 -14.715 0.351 1.00 0.00 O ATOM 0 H SER A 28 -9.507 -15.976 2.607 1.00 0.00 H new ATOM 0 HA SER A 28 -6.517 -16.251 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.294 -16.642 0.449 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.500 -15.375 0.551 1.00 0.00 H new ATOM 0 HG SER A 28 -5.743 -14.728 0.907 1.00 0.00 H new ATOM 431 N GLY A 29 -6.184 -13.970 3.555 1.00 0.00 N ATOM 432 CA GLY A 29 -5.963 -12.613 4.125 1.00 0.00 C ATOM 433 C GLY A 29 -5.742 -11.596 3.006 1.00 0.00 C ATOM 434 O GLY A 29 -5.122 -11.883 2.000 1.00 0.00 O ATOM 0 H GLY A 29 -5.417 -14.625 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.823 -12.320 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.099 -12.627 4.789 1.00 0.00 H new ATOM 438 N MET A 30 -6.242 -10.402 3.177 1.00 0.00 N ATOM 439 CA MET A 30 -6.058 -9.364 2.129 1.00 0.00 C ATOM 440 C MET A 30 -6.170 -7.968 2.751 1.00 0.00 C ATOM 441 O MET A 30 -6.951 -7.733 3.655 1.00 0.00 O ATOM 442 CB MET A 30 -7.131 -9.533 1.054 1.00 0.00 C ATOM 443 CG MET A 30 -6.874 -8.542 -0.084 1.00 0.00 C ATOM 444 SD MET A 30 -8.112 -8.783 -1.379 1.00 0.00 S ATOM 445 CE MET A 30 -7.188 -9.994 -2.356 1.00 0.00 C ATOM 0 H MET A 30 -6.769 -10.103 3.997 1.00 0.00 H new ATOM 0 HA MET A 30 -5.071 -9.476 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.120 -10.554 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.119 -9.364 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.919 -7.520 0.292 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.873 -8.689 -0.490 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.799 -10.328 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.274 -9.536 -2.733 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.933 -10.849 -1.730 1.00 0.00 H new ATOM 455 N ALA A 31 -5.395 -7.038 2.259 1.00 0.00 N ATOM 456 CA ALA A 31 -5.438 -5.643 2.795 1.00 0.00 C ATOM 457 C ALA A 31 -5.309 -4.666 1.629 1.00 0.00 C ATOM 458 O ALA A 31 -4.620 -4.925 0.663 1.00 0.00 O ATOM 459 CB ALA A 31 -4.278 -5.430 3.770 1.00 0.00 C ATOM 0 H ALA A 31 -4.728 -7.185 1.502 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.379 -5.477 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.312 -4.412 4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.362 -6.137 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.333 -5.589 3.251 1.00 0.00 H new ATOM 465 N LYS A 32 -5.981 -3.546 1.713 1.00 0.00 N ATOM 466 CA LYS A 32 -5.932 -2.529 0.614 1.00 0.00 C ATOM 467 C LYS A 32 -5.316 -1.228 1.121 1.00 0.00 C ATOM 468 O LYS A 32 -5.439 -0.873 2.277 1.00 0.00 O ATOM 469 CB LYS A 32 -7.350 -2.255 0.118 1.00 0.00 C ATOM 470 CG LYS A 32 -7.883 -3.494 -0.602 1.00 0.00 C ATOM 471 CD LYS A 32 -9.293 -3.214 -1.127 1.00 0.00 C ATOM 472 CE LYS A 32 -9.812 -4.443 -1.876 1.00 0.00 C ATOM 473 NZ LYS A 32 -11.177 -4.163 -2.405 1.00 0.00 N ATOM 0 H LYS A 32 -6.569 -3.288 2.505 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.319 -2.917 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.998 -2.001 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.352 -1.399 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.223 -3.760 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.900 -4.344 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.959 -2.971 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.281 -2.349 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.138 -4.695 -2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.839 -5.304 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.530 -4.998 -2.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.817 -3.943 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.138 -3.352 -3.055 1.00 0.00 H new ATOM 487 N PHE A 33 -4.650 -0.514 0.247 1.00 0.00 N ATOM 488 CA PHE A 33 -4.010 0.779 0.635 1.00 0.00 C ATOM 489 C PHE A 33 -4.533 1.889 -0.273 1.00 0.00 C ATOM 490 O PHE A 33 -4.781 1.682 -1.447 1.00 0.00 O ATOM 491 CB PHE A 33 -2.495 0.663 0.479 1.00 0.00 C ATOM 492 CG PHE A 33 -1.935 -0.163 1.609 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.858 -1.557 1.492 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.496 0.466 2.779 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.340 -2.318 2.547 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.978 -0.296 3.833 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.901 -1.688 3.716 1.00 0.00 C ATOM 0 H PHE A 33 -4.522 -0.776 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.250 1.011 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.252 0.202 -0.478 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.042 1.654 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.198 -2.044 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.557 1.541 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.279 -3.393 2.458 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.638 0.190 4.735 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.502 -2.277 4.529 1.00 0.00 H new ATOM 507 N TYR A 34 -4.709 3.067 0.272 1.00 0.00 N ATOM 508 CA TYR A 34 -5.229 4.215 -0.530 1.00 0.00 C ATOM 509 C TYR A 34 -4.165 5.311 -0.608 1.00 0.00 C ATOM 510 O TYR A 34 -3.753 5.869 0.395 1.00 0.00 O ATOM 511 CB TYR A 34 -6.482 4.765 0.146 1.00 0.00 C ATOM 512 CG TYR A 34 -7.126 5.789 -0.758 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.777 5.373 -1.923 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.066 7.152 -0.436 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.372 6.316 -2.767 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.660 8.094 -1.281 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.313 7.677 -2.448 1.00 0.00 C ATOM 518 OH TYR A 34 -8.898 8.606 -3.281 1.00 0.00 O ATOM 0 H TYR A 34 -4.512 3.283 1.249 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.471 3.880 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.182 3.956 0.355 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.224 5.218 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.820 4.323 -2.171 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.562 7.474 0.463 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.877 5.994 -3.665 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.615 9.144 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.766 9.505 -2.913 1.00 0.00 H new ATOM 528 N PHE A 35 -3.719 5.617 -1.802 1.00 0.00 N ATOM 529 CA PHE A 35 -2.676 6.672 -1.990 1.00 0.00 C ATOM 530 C PHE A 35 -3.296 7.889 -2.667 1.00 0.00 C ATOM 531 O PHE A 35 -3.784 7.814 -3.779 1.00 0.00 O ATOM 532 CB PHE A 35 -1.556 6.116 -2.873 1.00 0.00 C ATOM 533 CG PHE A 35 -0.701 5.177 -2.063 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.024 3.819 -1.989 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.416 5.670 -1.383 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.229 2.953 -1.230 1.00 0.00 C ATOM 537 CE2 PHE A 35 1.212 4.805 -0.627 1.00 0.00 C ATOM 538 CZ PHE A 35 0.889 3.447 -0.550 1.00 0.00 C ATOM 0 H PHE A 35 -4.038 5.175 -2.664 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.273 6.965 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.979 5.592 -3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.949 6.931 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.886 3.439 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.664 6.719 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.478 1.904 -1.169 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.076 5.185 -0.103 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.503 2.779 0.035 1.00 0.00 H new ATOM 548 N LEU A 36 -3.273 9.014 -1.996 1.00 0.00 N ATOM 549 CA LEU A 36 -3.858 10.259 -2.580 1.00 0.00 C ATOM 550 C LEU A 36 -2.741 11.225 -2.986 1.00 0.00 C ATOM 551 O LEU A 36 -1.916 11.625 -2.186 1.00 0.00 O ATOM 552 CB LEU A 36 -4.770 10.932 -1.545 1.00 0.00 C ATOM 553 CG LEU A 36 -5.478 12.145 -2.178 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.382 11.694 -3.344 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.323 12.852 -1.110 1.00 0.00 C ATOM 0 H LEU A 36 -2.872 9.123 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.440 9.998 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.509 10.218 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.183 11.251 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.727 12.832 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.875 12.563 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.776 11.201 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.135 10.999 -2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.826 13.711 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.067 12.159 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.677 13.189 -0.299 1.00 0.00 H new ATOM 567 N GLU A 37 -2.730 11.600 -4.235 1.00 0.00 N ATOM 568 CA GLU A 37 -1.698 12.546 -4.748 1.00 0.00 C ATOM 569 C GLU A 37 -0.299 12.121 -4.293 1.00 0.00 C ATOM 570 O GLU A 37 0.451 12.912 -3.755 1.00 0.00 O ATOM 571 CB GLU A 37 -1.999 13.962 -4.245 1.00 0.00 C ATOM 572 CG GLU A 37 -3.297 14.457 -4.891 1.00 0.00 C ATOM 573 CD GLU A 37 -3.796 15.701 -4.152 1.00 0.00 C ATOM 574 OE1 GLU A 37 -3.057 16.212 -3.327 1.00 0.00 O ATOM 575 OE2 GLU A 37 -4.910 16.121 -4.423 1.00 0.00 O ATOM 0 H GLU A 37 -3.404 11.286 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.726 12.533 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.095 13.963 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.176 14.632 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.126 14.690 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.054 13.673 -4.857 1.00 0.00 H new ATOM 582 N PRO A 38 0.062 10.888 -4.533 1.00 0.00 N ATOM 583 CA PRO A 38 1.409 10.359 -4.166 1.00 0.00 C ATOM 584 C PRO A 38 2.517 11.092 -4.941 1.00 0.00 C ATOM 585 O PRO A 38 3.675 10.722 -4.910 1.00 0.00 O ATOM 586 CB PRO A 38 1.338 8.864 -4.550 1.00 0.00 C ATOM 587 CG PRO A 38 0.219 8.767 -5.544 1.00 0.00 C ATOM 588 CD PRO A 38 -0.777 9.864 -5.173 1.00 0.00 C ATOM 0 HA PRO A 38 1.649 10.503 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.279 8.523 -4.982 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.144 8.242 -3.676 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.588 8.904 -6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.252 7.785 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.288 10.256 -6.052 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.547 9.495 -4.495 1.00 0.00 H new ATOM 596 N THR A 39 2.148 12.145 -5.626 1.00 0.00 N ATOM 597 CA THR A 39 3.138 12.945 -6.408 1.00 0.00 C ATOM 598 C THR A 39 3.968 12.032 -7.313 1.00 0.00 C ATOM 599 O THR A 39 5.031 12.401 -7.773 1.00 0.00 O ATOM 600 CB THR A 39 4.061 13.699 -5.446 1.00 0.00 C ATOM 601 OG1 THR A 39 4.816 12.767 -4.685 1.00 0.00 O ATOM 602 CG2 THR A 39 3.221 14.569 -4.513 1.00 0.00 C ATOM 0 H THR A 39 1.189 12.488 -5.677 1.00 0.00 H new ATOM 0 HA THR A 39 2.600 13.658 -7.032 1.00 0.00 H new ATOM 0 HB THR A 39 4.742 14.333 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.712 11.871 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.877 15.106 -3.828 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.647 15.285 -5.102 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.539 13.938 -3.943 1.00 0.00 H new ATOM 610 N ILE A 40 3.491 10.846 -7.582 1.00 0.00 N ATOM 611 CA ILE A 40 4.254 9.910 -8.465 1.00 0.00 C ATOM 612 C ILE A 40 3.698 10.000 -9.897 1.00 0.00 C ATOM 613 O ILE A 40 4.299 9.526 -10.843 1.00 0.00 O ATOM 614 CB ILE A 40 4.099 8.477 -7.922 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.193 7.578 -8.515 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.707 7.915 -8.283 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.191 6.234 -7.784 1.00 0.00 C ATOM 0 H ILE A 40 2.606 10.483 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 40 5.311 10.178 -8.478 1.00 0.00 H new ATOM 0 HB ILE A 40 4.198 8.498 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.018 7.426 -9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.167 8.057 -8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.611 6.902 -7.893 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.935 8.547 -7.845 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.591 7.899 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.966 5.592 -8.201 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.386 6.396 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.219 5.755 -7.905 1.00 0.00 H new ATOM 629 N LEU A 41 2.551 10.607 -10.058 1.00 0.00 N ATOM 630 CA LEU A 41 1.948 10.738 -11.420 1.00 0.00 C ATOM 631 C LEU A 41 2.827 11.649 -12.282 1.00 0.00 C ATOM 632 O LEU A 41 3.020 11.421 -13.460 1.00 0.00 O ATOM 633 CB LEU A 41 0.550 11.355 -11.301 1.00 0.00 C ATOM 634 CG LEU A 41 -0.277 10.580 -10.270 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.663 11.223 -10.134 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.427 9.119 -10.716 1.00 0.00 C ATOM 0 H LEU A 41 2.003 11.019 -9.303 1.00 0.00 H new ATOM 0 HA LEU A 41 1.877 9.753 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.629 12.401 -11.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.051 11.335 -12.270 1.00 0.00 H new ATOM 0 HG LEU A 41 0.231 10.610 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.250 10.671 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.554 12.257 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.171 11.199 -11.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.016 8.572 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.931 9.083 -11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.559 8.662 -10.804 1.00 0.00 H new ATOM 648 N ALA A 42 3.356 12.686 -11.696 1.00 0.00 N ATOM 649 CA ALA A 42 4.223 13.625 -12.463 1.00 0.00 C ATOM 650 C ALA A 42 5.629 13.032 -12.592 1.00 0.00 C ATOM 651 O ALA A 42 6.442 13.494 -13.369 1.00 0.00 O ATOM 652 CB ALA A 42 4.301 14.958 -11.717 1.00 0.00 C ATOM 0 H ALA A 42 3.225 12.925 -10.713 1.00 0.00 H new ATOM 0 HA ALA A 42 3.804 13.783 -13.457 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.934 15.650 -12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.301 15.380 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.724 14.796 -10.726 1.00 0.00 H new ATOM 658 N LYS A 43 5.917 12.005 -11.837 1.00 0.00 N ATOM 659 CA LYS A 43 7.264 11.356 -11.905 1.00 0.00 C ATOM 660 C LYS A 43 7.135 10.023 -12.653 1.00 0.00 C ATOM 661 O LYS A 43 8.108 9.450 -13.101 1.00 0.00 O ATOM 662 CB LYS A 43 7.771 11.104 -10.483 1.00 0.00 C ATOM 663 CG LYS A 43 7.997 12.444 -9.775 1.00 0.00 C ATOM 664 CD LYS A 43 8.445 12.194 -8.332 1.00 0.00 C ATOM 665 CE LYS A 43 8.552 13.529 -7.590 1.00 0.00 C ATOM 666 NZ LYS A 43 9.659 14.339 -8.175 1.00 0.00 N ATOM 0 H LYS A 43 5.272 11.583 -11.169 1.00 0.00 H new ATOM 0 HA LYS A 43 7.967 12.003 -12.430 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.048 10.505 -9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.700 10.535 -10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.752 13.024 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.079 13.031 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.733 11.542 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.408 11.683 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.611 14.074 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.737 13.354 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.888 15.126 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.499 13.739 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.363 14.717 -9.097 1.00 0.00 H new ATOM 680 N GLU A 44 5.933 9.530 -12.795 1.00 0.00 N ATOM 681 CA GLU A 44 5.724 8.245 -13.517 1.00 0.00 C ATOM 682 C GLU A 44 4.221 8.011 -13.723 1.00 0.00 C ATOM 683 O GLU A 44 3.413 8.264 -12.851 1.00 0.00 O ATOM 684 CB GLU A 44 6.322 7.087 -12.710 1.00 0.00 C ATOM 685 CG GLU A 44 6.105 5.780 -13.477 1.00 0.00 C ATOM 686 CD GLU A 44 6.768 4.622 -12.731 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.577 4.891 -11.860 1.00 0.00 O ATOM 688 OE2 GLU A 44 6.455 3.486 -13.047 1.00 0.00 O ATOM 0 H GLU A 44 5.083 9.967 -12.439 1.00 0.00 H new ATOM 0 HA GLU A 44 6.220 8.294 -14.486 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.386 7.254 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.852 7.030 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.038 5.588 -13.590 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.522 5.864 -14.481 1.00 0.00 H new ATOM 695 N SER A 45 3.847 7.533 -14.880 1.00 0.00 N ATOM 696 CA SER A 45 2.403 7.289 -15.171 1.00 0.00 C ATOM 697 C SER A 45 1.901 6.035 -14.436 1.00 0.00 C ATOM 698 O SER A 45 2.666 5.172 -14.050 1.00 0.00 O ATOM 699 CB SER A 45 2.219 7.110 -16.677 1.00 0.00 C ATOM 700 OG SER A 45 0.865 6.776 -16.951 1.00 0.00 O ATOM 0 H SER A 45 4.484 7.299 -15.642 1.00 0.00 H new ATOM 0 HA SER A 45 1.824 8.145 -14.823 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.492 8.027 -17.199 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.880 6.325 -17.045 1.00 0.00 H new ATOM 0 HG SER A 45 0.745 6.663 -17.917 1.00 0.00 H new ATOM 706 N THR A 46 0.606 5.943 -14.244 1.00 0.00 N ATOM 707 CA THR A 46 0.016 4.764 -13.533 1.00 0.00 C ATOM 708 C THR A 46 0.240 3.484 -14.349 1.00 0.00 C ATOM 709 O THR A 46 0.366 2.403 -13.806 1.00 0.00 O ATOM 710 CB THR A 46 -1.492 4.981 -13.338 1.00 0.00 C ATOM 711 OG1 THR A 46 -2.112 5.181 -14.600 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.743 6.205 -12.456 1.00 0.00 C ATOM 0 H THR A 46 -0.072 6.640 -14.552 1.00 0.00 H new ATOM 0 HA THR A 46 0.503 4.660 -12.563 1.00 0.00 H new ATOM 0 HB THR A 46 -1.912 4.099 -12.854 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.080 5.276 -14.478 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.816 6.346 -12.327 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.277 6.054 -11.482 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.315 7.089 -12.930 1.00 0.00 H new ATOM 720 N ASP A 47 0.277 3.592 -15.646 1.00 0.00 N ATOM 721 CA ASP A 47 0.484 2.381 -16.495 1.00 0.00 C ATOM 722 C ASP A 47 1.867 1.781 -16.220 1.00 0.00 C ATOM 723 O ASP A 47 2.040 0.577 -16.161 1.00 0.00 O ATOM 724 CB ASP A 47 0.395 2.777 -17.971 1.00 0.00 C ATOM 725 CG ASP A 47 0.609 1.542 -18.850 1.00 0.00 C ATOM 726 OD1 ASP A 47 0.903 0.494 -18.303 1.00 0.00 O ATOM 727 OD2 ASP A 47 0.474 1.670 -20.056 1.00 0.00 O ATOM 0 H ASP A 47 0.173 4.467 -16.159 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.283 1.644 -16.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.579 3.220 -18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.146 3.533 -18.201 1.00 0.00 H new ATOM 732 N ASP A 48 2.855 2.613 -16.058 1.00 0.00 N ATOM 733 CA ASP A 48 4.231 2.104 -15.789 1.00 0.00 C ATOM 734 C ASP A 48 4.297 1.557 -14.363 1.00 0.00 C ATOM 735 O ASP A 48 5.197 0.821 -14.004 1.00 0.00 O ATOM 736 CB ASP A 48 5.227 3.258 -15.935 1.00 0.00 C ATOM 737 CG ASP A 48 5.336 3.664 -17.405 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.794 2.957 -18.236 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.959 4.679 -17.675 1.00 0.00 O ATOM 0 H ASP A 48 2.771 3.629 -16.100 1.00 0.00 H new ATOM 0 HA ASP A 48 4.477 1.311 -16.496 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.902 4.109 -15.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.204 2.957 -15.558 1.00 0.00 H new ATOM 744 N ILE A 49 3.348 1.913 -13.539 1.00 0.00 N ATOM 745 CA ILE A 49 3.346 1.420 -12.132 1.00 0.00 C ATOM 746 C ILE A 49 2.513 0.143 -12.028 1.00 0.00 C ATOM 747 O ILE A 49 1.326 0.130 -12.289 1.00 0.00 O ATOM 748 CB ILE A 49 2.761 2.497 -11.214 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.704 3.705 -11.197 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.612 1.942 -9.796 1.00 0.00 C ATOM 751 CD1 ILE A 49 3.034 4.880 -10.491 1.00 0.00 C ATOM 0 H ILE A 49 2.571 2.527 -13.782 1.00 0.00 H new ATOM 0 HA ILE A 49 4.369 1.201 -11.827 1.00 0.00 H new ATOM 0 HB ILE A 49 1.781 2.800 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.632 3.445 -10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.968 3.985 -12.217 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.195 2.711 -9.146 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.945 1.080 -9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.589 1.639 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.711 5.734 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.118 5.147 -11.019 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.793 4.599 -9.466 1.00 0.00 H new ATOM 763 N THR A 50 3.140 -0.933 -11.643 1.00 0.00 N ATOM 764 CA THR A 50 2.421 -2.228 -11.505 1.00 0.00 C ATOM 765 C THR A 50 3.089 -3.037 -10.395 1.00 0.00 C ATOM 766 O THR A 50 3.305 -4.229 -10.515 1.00 0.00 O ATOM 767 CB THR A 50 2.482 -2.994 -12.833 1.00 0.00 C ATOM 768 OG1 THR A 50 3.807 -2.947 -13.345 1.00 0.00 O ATOM 769 CG2 THR A 50 1.521 -2.349 -13.835 1.00 0.00 C ATOM 0 H THR A 50 4.134 -0.970 -11.415 1.00 0.00 H new ATOM 0 HA THR A 50 1.375 -2.055 -11.253 1.00 0.00 H new ATOM 0 HB THR A 50 2.194 -4.033 -12.670 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.848 -3.437 -14.192 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.562 -2.891 -14.780 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.506 -2.385 -13.440 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.810 -1.311 -14.000 1.00 0.00 H new ATOM 777 N GLY A 51 3.423 -2.391 -9.308 1.00 0.00 N ATOM 778 CA GLY A 51 4.084 -3.114 -8.184 1.00 0.00 C ATOM 779 C GLY A 51 4.298 -2.171 -7.001 1.00 0.00 C ATOM 780 O GLY A 51 4.656 -1.019 -7.160 1.00 0.00 O ATOM 0 H GLY A 51 3.266 -1.395 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.471 -3.961 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.041 -3.517 -8.515 1.00 0.00 H new ATOM 784 N MET A 52 4.074 -2.663 -5.809 1.00 0.00 N ATOM 785 CA MET A 52 4.253 -1.827 -4.581 1.00 0.00 C ATOM 786 C MET A 52 5.102 -2.605 -3.580 1.00 0.00 C ATOM 787 O MET A 52 4.828 -3.753 -3.278 1.00 0.00 O ATOM 788 CB MET A 52 2.886 -1.518 -3.969 1.00 0.00 C ATOM 789 CG MET A 52 3.066 -0.577 -2.774 1.00 0.00 C ATOM 790 SD MET A 52 1.443 -0.067 -2.158 1.00 0.00 S ATOM 791 CE MET A 52 1.218 1.351 -3.263 1.00 0.00 C ATOM 0 H MET A 52 3.771 -3.621 -5.631 1.00 0.00 H new ATOM 0 HA MET A 52 4.747 -0.890 -4.836 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.237 -1.058 -4.714 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.401 -2.441 -3.650 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.626 -1.078 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.646 0.297 -3.070 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.162 1.618 -3.302 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.793 2.198 -2.889 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.564 1.091 -4.263 1.00 0.00 H new ATOM 801 N TYR A 53 6.143 -1.991 -3.075 1.00 0.00 N ATOM 802 CA TYR A 53 7.042 -2.686 -2.102 1.00 0.00 C ATOM 803 C TYR A 53 6.898 -2.056 -0.716 1.00 0.00 C ATOM 804 O TYR A 53 7.046 -0.861 -0.535 1.00 0.00 O ATOM 805 CB TYR A 53 8.486 -2.552 -2.582 1.00 0.00 C ATOM 806 CG TYR A 53 8.639 -3.287 -3.892 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.304 -2.652 -5.095 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.114 -4.602 -3.905 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.443 -3.336 -6.310 1.00 0.00 C ATOM 810 CE2 TYR A 53 9.254 -5.286 -5.119 1.00 0.00 C ATOM 811 CZ TYR A 53 8.919 -4.653 -6.321 1.00 0.00 C ATOM 812 OH TYR A 53 9.057 -5.327 -7.518 1.00 0.00 O ATOM 0 H TYR A 53 6.410 -1.032 -3.296 1.00 0.00 H new ATOM 0 HA TYR A 53 6.769 -3.739 -2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.745 -1.501 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.169 -2.962 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.939 -1.636 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.373 -5.091 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.183 -2.848 -7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.620 -6.302 -5.127 1.00 0.00 H new ATOM 0 HH TYR A 53 9.400 -6.229 -7.348 1.00 0.00 H new ATOM 822 N LEU A 54 6.609 -2.866 0.264 1.00 0.00 N ATOM 823 CA LEU A 54 6.448 -2.361 1.656 1.00 0.00 C ATOM 824 C LEU A 54 7.755 -2.553 2.415 1.00 0.00 C ATOM 825 O LEU A 54 8.281 -3.648 2.501 1.00 0.00 O ATOM 826 CB LEU A 54 5.331 -3.145 2.346 1.00 0.00 C ATOM 827 CG LEU A 54 3.990 -2.919 1.601 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.759 -4.035 0.570 1.00 0.00 C ATOM 829 CD2 LEU A 54 2.830 -2.911 2.604 1.00 0.00 C ATOM 0 H LEU A 54 6.476 -3.872 0.157 1.00 0.00 H new ATOM 0 HA LEU A 54 6.193 -1.301 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.575 -4.207 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.239 -2.826 3.384 1.00 0.00 H new ATOM 0 HG LEU A 54 4.036 -1.959 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.814 -3.864 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.573 -4.035 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.726 -4.999 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.891 -2.752 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.794 -3.867 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.979 -2.108 3.326 1.00 0.00 H new ATOM 841 N ILE A 55 8.289 -1.492 2.961 1.00 0.00 N ATOM 842 CA ILE A 55 9.577 -1.593 3.710 1.00 0.00 C ATOM 843 C ILE A 55 9.302 -1.609 5.210 1.00 0.00 C ATOM 844 O ILE A 55 8.644 -0.739 5.750 1.00 0.00 O ATOM 845 CB ILE A 55 10.459 -0.397 3.354 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.893 -0.519 1.885 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.699 -0.384 4.253 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.686 -0.358 0.947 1.00 0.00 C ATOM 0 H ILE A 55 7.887 -0.556 2.920 1.00 0.00 H new ATOM 0 HA ILE A 55 10.089 -2.516 3.436 1.00 0.00 H new ATOM 0 HB ILE A 55 9.901 0.528 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.641 0.241 1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.363 -1.489 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.326 0.470 3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.391 -0.308 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.264 -1.305 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.015 -0.448 -0.088 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.951 -1.134 1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.234 0.622 1.100 1.00 0.00 H new ATOM 860 N ASP A 56 9.809 -2.608 5.878 1.00 0.00 N ATOM 861 CA ASP A 56 9.603 -2.739 7.352 1.00 0.00 C ATOM 862 C ASP A 56 10.920 -2.453 8.084 1.00 0.00 C ATOM 863 O ASP A 56 11.742 -1.682 7.629 1.00 0.00 O ATOM 864 CB ASP A 56 9.149 -4.170 7.658 1.00 0.00 C ATOM 865 CG ASP A 56 7.812 -4.448 6.966 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.111 -3.497 6.671 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.515 -5.612 6.745 1.00 0.00 O ATOM 0 H ASP A 56 10.367 -3.352 5.459 1.00 0.00 H new ATOM 0 HA ASP A 56 8.848 -2.027 7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.901 -4.881 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.047 -4.307 8.735 1.00 0.00 H new ATOM 872 N ASP A 57 11.125 -3.073 9.218 1.00 0.00 N ATOM 873 CA ASP A 57 12.387 -2.848 9.984 1.00 0.00 C ATOM 874 C ASP A 57 13.583 -3.348 9.170 1.00 0.00 C ATOM 875 O ASP A 57 14.662 -2.789 9.215 1.00 0.00 O ATOM 876 CB ASP A 57 12.312 -3.612 11.312 1.00 0.00 C ATOM 877 CG ASP A 57 12.075 -5.103 11.047 1.00 0.00 C ATOM 878 OD1 ASP A 57 11.819 -5.452 9.907 1.00 0.00 O ATOM 879 OD2 ASP A 57 12.146 -5.870 11.995 1.00 0.00 O ATOM 0 H ASP A 57 10.471 -3.727 9.647 1.00 0.00 H new ATOM 0 HA ASP A 57 12.510 -1.783 10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.237 -3.476 11.872 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.506 -3.211 11.927 1.00 0.00 H new ATOM 884 N GLU A 58 13.394 -4.394 8.422 1.00 0.00 N ATOM 885 CA GLU A 58 14.503 -4.942 7.595 1.00 0.00 C ATOM 886 C GLU A 58 13.906 -5.738 6.431 1.00 0.00 C ATOM 887 O GLU A 58 14.344 -5.644 5.301 1.00 0.00 O ATOM 888 CB GLU A 58 15.373 -5.877 8.443 1.00 0.00 C ATOM 889 CG GLU A 58 16.555 -6.366 7.602 1.00 0.00 C ATOM 890 CD GLU A 58 17.487 -7.222 8.463 1.00 0.00 C ATOM 891 OE1 GLU A 58 17.091 -7.576 9.561 1.00 0.00 O ATOM 892 OE2 GLU A 58 18.581 -7.507 8.008 1.00 0.00 O ATOM 0 H GLU A 58 12.511 -4.899 8.346 1.00 0.00 H new ATOM 0 HA GLU A 58 15.115 -4.122 7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.733 -5.354 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.784 -6.725 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.193 -6.947 6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.101 -5.514 7.196 1.00 0.00 H new ATOM 899 N GLY A 59 12.907 -6.529 6.713 1.00 0.00 N ATOM 900 CA GLY A 59 12.266 -7.355 5.645 1.00 0.00 C ATOM 901 C GLY A 59 11.298 -6.512 4.814 1.00 0.00 C ATOM 902 O GLY A 59 10.979 -5.388 5.149 1.00 0.00 O ATOM 0 H GLY A 59 12.503 -6.641 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.033 -7.780 4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.732 -8.191 6.097 1.00 0.00 H new ATOM 906 N GLU A 60 10.825 -7.057 3.723 1.00 0.00 N ATOM 907 CA GLU A 60 9.876 -6.303 2.856 1.00 0.00 C ATOM 908 C GLU A 60 8.918 -7.269 2.160 1.00 0.00 C ATOM 909 O GLU A 60 9.205 -8.439 1.986 1.00 0.00 O ATOM 910 CB GLU A 60 10.657 -5.503 1.810 1.00 0.00 C ATOM 911 CG GLU A 60 11.469 -6.449 0.921 1.00 0.00 C ATOM 912 CD GLU A 60 12.277 -5.626 -0.087 1.00 0.00 C ATOM 913 OE1 GLU A 60 11.797 -4.578 -0.484 1.00 0.00 O ATOM 914 OE2 GLU A 60 13.362 -6.057 -0.442 1.00 0.00 O ATOM 0 H GLU A 60 11.057 -7.995 3.396 1.00 0.00 H new ATOM 0 HA GLU A 60 9.297 -5.618 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.968 -4.919 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.323 -4.796 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.137 -7.056 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.804 -7.136 0.397 1.00 0.00 H new ATOM 921 N ILE A 61 7.776 -6.773 1.758 1.00 0.00 N ATOM 922 CA ILE A 61 6.762 -7.625 1.063 1.00 0.00 C ATOM 923 C ILE A 61 6.632 -7.171 -0.391 1.00 0.00 C ATOM 924 O ILE A 61 6.560 -5.993 -0.685 1.00 0.00 O ATOM 925 CB ILE A 61 5.411 -7.487 1.764 1.00 0.00 C ATOM 926 CG1 ILE A 61 5.527 -8.033 3.191 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.359 -8.287 0.997 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.277 -7.661 3.992 1.00 0.00 C ATOM 0 H ILE A 61 7.499 -5.800 1.883 1.00 0.00 H new ATOM 0 HA ILE A 61 7.079 -8.667 1.093 1.00 0.00 H new ATOM 0 HB ILE A 61 5.118 -6.438 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.646 -9.116 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.415 -7.626 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.394 -8.190 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.282 -7.905 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.649 -9.337 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.365 -8.052 5.006 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.178 -6.576 4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.397 -8.090 3.513 1.00 0.00 H new ATOM 940 N ILE A 62 6.615 -8.105 -1.305 1.00 0.00 N ATOM 941 CA ILE A 62 6.511 -7.753 -2.751 1.00 0.00 C ATOM 942 C ILE A 62 5.075 -7.933 -3.224 1.00 0.00 C ATOM 943 O ILE A 62 4.498 -8.999 -3.117 1.00 0.00 O ATOM 944 CB ILE A 62 7.427 -8.675 -3.555 1.00 0.00 C ATOM 945 CG1 ILE A 62 8.882 -8.464 -3.108 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.295 -8.353 -5.046 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.099 -8.984 -1.676 1.00 0.00 C ATOM 0 H ILE A 62 6.669 -9.105 -1.110 1.00 0.00 H new ATOM 0 HA ILE A 62 6.808 -6.714 -2.895 1.00 0.00 H new ATOM 0 HB ILE A 62 7.142 -9.713 -3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.555 -8.980 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.131 -7.404 -3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.948 -9.011 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.262 -8.503 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.580 -7.316 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.137 -8.823 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.442 -8.449 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.873 -10.050 -1.638 1.00 0.00 H new ATOM 959 N THR A 63 4.497 -6.885 -3.747 1.00 0.00 N ATOM 960 CA THR A 63 3.092 -6.947 -4.241 1.00 0.00 C ATOM 961 C THR A 63 3.047 -6.508 -5.703 1.00 0.00 C ATOM 962 O THR A 63 3.524 -5.448 -6.064 1.00 0.00 O ATOM 963 CB THR A 63 2.223 -6.011 -3.402 1.00 0.00 C ATOM 964 OG1 THR A 63 2.244 -6.438 -2.049 1.00 0.00 O ATOM 965 CG2 THR A 63 0.787 -6.036 -3.925 1.00 0.00 C ATOM 0 H THR A 63 4.946 -5.976 -3.854 1.00 0.00 H new ATOM 0 HA THR A 63 2.719 -7.968 -4.158 1.00 0.00 H new ATOM 0 HB THR A 63 2.612 -4.995 -3.470 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.747 -5.793 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.170 -5.368 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.773 -5.708 -4.964 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.393 -7.050 -3.859 1.00 0.00 H new ATOM 973 N ARG A 64 2.465 -7.317 -6.546 1.00 0.00 N ATOM 974 CA ARG A 64 2.358 -6.974 -7.995 1.00 0.00 C ATOM 975 C ARG A 64 0.902 -6.624 -8.301 1.00 0.00 C ATOM 976 O ARG A 64 0.554 -6.230 -9.398 1.00 0.00 O ATOM 977 CB ARG A 64 2.783 -8.192 -8.824 1.00 0.00 C ATOM 978 CG ARG A 64 4.227 -8.593 -8.479 1.00 0.00 C ATOM 979 CD ARG A 64 5.223 -7.683 -9.211 1.00 0.00 C ATOM 980 NE ARG A 64 4.972 -7.754 -10.680 1.00 0.00 N ATOM 981 CZ ARG A 64 5.461 -8.736 -11.390 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.173 -9.672 -10.822 1.00 0.00 N ATOM 983 NH2 ARG A 64 5.231 -8.782 -12.672 1.00 0.00 N ATOM 0 H ARG A 64 2.053 -8.214 -6.289 1.00 0.00 H new ATOM 0 HA ARG A 64 3.000 -6.128 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.110 -9.027 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.706 -7.962 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.384 -8.523 -7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.400 -9.632 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.118 -6.656 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.245 -7.992 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 64 4.414 -7.030 -11.134 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.350 -9.639 -9.818 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.552 -10.436 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.672 -8.054 -13.116 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.610 -9.546 -13.231 1.00 0.00 H new ATOM 997 N GLU A 65 0.045 -6.763 -7.326 1.00 0.00 N ATOM 998 CA GLU A 65 -1.398 -6.445 -7.534 1.00 0.00 C ATOM 999 C GLU A 65 -1.645 -4.973 -7.211 1.00 0.00 C ATOM 1000 O GLU A 65 -2.134 -4.633 -6.150 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.254 -7.322 -6.615 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.101 -8.795 -7.022 1.00 0.00 C ATOM 1003 CD GLU A 65 -0.823 -9.377 -6.408 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -0.087 -8.624 -5.791 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -0.605 -10.568 -6.557 1.00 0.00 O ATOM 0 H GLU A 65 0.284 -7.085 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.667 -6.640 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.948 -7.187 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.300 -7.023 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.968 -9.365 -6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.064 -8.879 -8.108 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.307 -4.097 -8.124 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.508 -2.635 -7.894 1.00 0.00 C ATOM 1014 C VAL A 66 -2.439 -2.077 -8.967 1.00 0.00 C ATOM 1015 O VAL A 66 -2.275 -2.333 -10.143 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.159 -1.916 -7.955 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.381 -0.399 -7.975 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.663 -2.296 -6.722 1.00 0.00 C ATOM 0 H VAL A 66 -0.897 -4.336 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.953 -2.478 -6.912 1.00 0.00 H new ATOM 0 HB VAL A 66 0.373 -2.210 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.582 0.109 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.973 -0.129 -8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.910 -0.097 -7.071 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.627 -1.788 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.127 -1.997 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.821 -3.374 -6.709 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.423 -1.318 -8.555 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.395 -0.731 -9.526 1.00 0.00 C ATOM 1030 C LYS A 67 -4.480 0.774 -9.318 1.00 0.00 C ATOM 1031 O LYS A 67 -4.418 1.275 -8.208 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.770 -1.361 -9.297 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.711 -2.868 -9.593 1.00 0.00 C ATOM 1034 CD LYS A 67 -5.799 -3.113 -11.105 1.00 0.00 C ATOM 1035 CE LYS A 67 -5.802 -4.614 -11.380 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.051 -5.215 -10.836 1.00 0.00 N ATOM 0 H LYS A 67 -3.596 -1.078 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.064 -0.932 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.088 -1.196 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.510 -0.884 -9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.784 -3.287 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.530 -3.378 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.705 -2.658 -11.505 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.956 -2.642 -11.610 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.734 -4.798 -12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.931 -5.081 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.243 -6.115 -11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.937 -5.389 -9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.846 -4.562 -10.990 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.610 1.501 -10.395 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.684 2.985 -10.310 1.00 0.00 C ATOM 1052 C GLY A 68 -6.139 3.445 -10.221 1.00 0.00 C ATOM 1053 O GLY A 68 -7.019 2.904 -10.862 1.00 0.00 O ATOM 0 H GLY A 68 -4.669 1.123 -11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.133 3.333 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.209 3.429 -11.185 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.388 4.459 -9.433 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.775 4.997 -9.288 1.00 0.00 C ATOM 1059 C LYS A 69 -7.883 6.297 -10.079 1.00 0.00 C ATOM 1060 O LYS A 69 -7.253 7.300 -9.763 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.055 5.256 -7.807 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.082 3.927 -7.036 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.451 3.252 -7.195 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.471 1.947 -6.408 1.00 0.00 C ATOM 1065 NZ LYS A 69 -10.812 1.313 -6.547 1.00 0.00 N ATOM 0 H LYS A 69 -5.682 4.943 -8.878 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.504 4.282 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.288 5.911 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.009 5.771 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.297 3.267 -7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.877 4.106 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.239 3.916 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.651 3.056 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.697 1.274 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.253 2.138 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.832 0.422 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.540 1.956 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.002 1.118 -7.551 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.671 6.269 -11.122 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.837 7.468 -11.989 1.00 0.00 C ATOM 1081 C PHE A 70 -10.110 8.218 -11.609 1.00 0.00 C ATOM 1082 O PHE A 70 -11.114 7.635 -11.243 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.931 7.015 -13.446 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.687 6.238 -13.814 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.498 4.942 -13.318 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.724 6.810 -14.656 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.346 4.220 -13.657 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.573 6.087 -14.996 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.385 4.794 -14.497 1.00 0.00 C ATOM 0 H PHE A 70 -9.213 5.455 -11.412 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.983 8.132 -11.856 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.816 6.394 -13.589 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.039 7.880 -14.101 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.242 4.498 -12.673 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.869 7.808 -15.043 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.200 3.222 -13.271 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.830 6.529 -15.644 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.497 4.238 -14.760 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.062 9.520 -11.699 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.243 10.370 -11.359 1.00 0.00 C ATOM 1101 C ILE A 71 -11.617 11.220 -12.570 1.00 0.00 C ATOM 1102 O ILE A 71 -10.762 11.765 -13.242 1.00 0.00 O ATOM 1103 CB ILE A 71 -10.895 11.276 -10.181 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -10.642 10.409 -8.941 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.055 12.238 -9.921 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.114 11.272 -7.790 1.00 0.00 C ATOM 0 H ILE A 71 -9.238 10.041 -12.000 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.086 9.735 -11.087 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.999 11.854 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.565 9.914 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.922 9.625 -9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.809 12.886 -9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.229 12.846 -10.809 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.955 11.668 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.938 10.645 -6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -9.180 11.746 -8.090 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.848 12.040 -7.544 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.893 11.321 -12.852 1.00 0.00 N ATOM 1119 CA ASN A 72 -13.363 12.121 -14.027 1.00 0.00 C ATOM 1120 C ASN A 72 -12.522 13.395 -14.178 1.00 0.00 C ATOM 1121 O ASN A 72 -12.807 14.425 -13.597 1.00 0.00 O ATOM 1122 CB ASN A 72 -14.833 12.498 -13.821 1.00 0.00 C ATOM 1123 CG ASN A 72 -15.668 11.228 -13.646 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.947 10.531 -14.603 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -16.081 10.891 -12.453 1.00 0.00 N ATOM 0 H ASN A 72 -13.637 10.879 -12.313 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.255 11.523 -14.932 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.936 13.137 -12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.196 13.069 -14.676 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.636 10.045 -12.326 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.848 11.474 -11.649 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.482 13.317 -14.961 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.598 14.499 -15.171 1.00 0.00 C ATOM 1134 C GLY A 73 -9.172 14.015 -15.432 1.00 0.00 C ATOM 1135 O GLY A 73 -8.613 14.238 -16.489 1.00 0.00 O ATOM 0 H GLY A 73 -11.204 12.477 -15.469 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.955 15.091 -16.014 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.621 15.147 -14.295 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.578 13.347 -14.479 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.190 12.846 -14.682 1.00 0.00 C ATOM 1141 C ARG A 74 -6.744 12.046 -13.444 1.00 0.00 C ATOM 1142 O ARG A 74 -7.237 12.270 -12.356 1.00 0.00 O ATOM 1143 CB ARG A 74 -6.241 14.031 -14.891 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.557 15.140 -13.885 1.00 0.00 C ATOM 1145 CD ARG A 74 -5.580 16.304 -14.089 1.00 0.00 C ATOM 1146 NE ARG A 74 -5.511 17.123 -12.845 1.00 0.00 N ATOM 1147 CZ ARG A 74 -6.436 18.006 -12.581 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -7.450 18.167 -13.386 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -6.344 18.726 -11.497 1.00 0.00 N ATOM 0 H ARG A 74 -8.993 13.128 -13.573 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.165 12.201 -15.560 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.208 13.705 -14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.340 14.412 -15.907 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.583 15.484 -14.016 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.477 14.757 -12.868 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.591 15.922 -14.340 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.905 16.922 -14.926 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.736 16.993 -12.195 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.526 17.600 -14.231 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.167 18.860 -13.171 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.554 18.597 -10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.062 19.418 -11.282 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.810 11.129 -13.595 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.298 10.315 -12.453 1.00 0.00 C ATOM 1165 C PRO A 75 -4.957 11.173 -11.229 1.00 0.00 C ATOM 1166 O PRO A 75 -4.337 12.217 -11.330 1.00 0.00 O ATOM 1167 CB PRO A 75 -4.032 9.645 -13.013 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.231 9.594 -14.496 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.153 10.763 -14.865 1.00 0.00 C ATOM 0 HA PRO A 75 -6.045 9.603 -12.101 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.139 10.215 -12.756 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.901 8.645 -12.600 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.277 9.676 -15.016 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.675 8.644 -14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.588 11.600 -15.276 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.883 10.470 -15.620 1.00 0.00 H new ATOM 1177 N THR A 76 -5.372 10.738 -10.075 1.00 0.00 N ATOM 1178 CA THR A 76 -5.101 11.509 -8.832 1.00 0.00 C ATOM 1179 C THR A 76 -4.912 10.547 -7.655 1.00 0.00 C ATOM 1180 O THR A 76 -4.275 10.882 -6.675 1.00 0.00 O ATOM 1181 CB THR A 76 -6.295 12.427 -8.545 1.00 0.00 C ATOM 1182 OG1 THR A 76 -6.719 13.036 -9.754 1.00 0.00 O ATOM 1183 CG2 THR A 76 -5.890 13.508 -7.542 1.00 0.00 C ATOM 0 H THR A 76 -5.893 9.872 -9.938 1.00 0.00 H new ATOM 0 HA THR A 76 -4.195 12.101 -8.962 1.00 0.00 H new ATOM 0 HB THR A 76 -7.111 11.838 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.483 13.622 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.743 14.157 -7.342 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.565 13.039 -6.613 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.073 14.099 -7.955 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.475 9.357 -7.724 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.335 8.396 -6.585 1.00 0.00 C ATOM 1193 C ALA A 77 -4.928 7.019 -7.098 1.00 0.00 C ATOM 1194 O ALA A 77 -5.222 6.633 -8.213 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.669 8.285 -5.846 1.00 0.00 C ATOM 0 H ALA A 77 -6.020 9.016 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.564 8.764 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.568 7.585 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.955 9.264 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.436 7.926 -6.532 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.231 6.278 -6.274 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.770 4.914 -6.662 1.00 0.00 C ATOM 1203 C ILE A 78 -4.056 3.939 -5.521 1.00 0.00 C ATOM 1204 O ILE A 78 -3.819 4.234 -4.364 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.272 4.949 -6.961 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.032 5.812 -8.203 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.765 3.527 -7.213 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.534 6.058 -8.386 1.00 0.00 C ATOM 0 H ILE A 78 -3.959 6.567 -5.334 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.302 4.585 -7.554 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.736 5.372 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.438 5.316 -9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.556 6.763 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.696 3.554 -7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.943 2.915 -6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.294 3.098 -8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.372 6.673 -9.271 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.140 6.573 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.021 5.104 -8.507 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.580 2.780 -5.840 1.00 0.00 N ATOM 1221 CA GLU A 79 -4.913 1.768 -4.788 1.00 0.00 C ATOM 1222 C GLU A 79 -4.069 0.510 -4.990 1.00 0.00 C ATOM 1223 O GLU A 79 -3.669 0.181 -6.091 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.398 1.407 -4.895 1.00 0.00 C ATOM 1225 CG GLU A 79 -6.769 0.414 -3.789 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.259 0.081 -3.876 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -8.720 -0.200 -4.970 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -8.912 0.108 -2.847 1.00 0.00 O ATOM 0 H GLU A 79 -4.793 2.489 -6.794 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.701 2.185 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.008 2.306 -4.809 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.607 0.972 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.177 -0.495 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.538 0.839 -2.812 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.796 -0.197 -3.922 1.00 0.00 N ATOM 1236 CA ALA A 80 -2.974 -1.440 -4.025 1.00 0.00 C ATOM 1237 C ALA A 80 -3.497 -2.482 -3.036 1.00 0.00 C ATOM 1238 O ALA A 80 -3.945 -2.156 -1.954 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.517 -1.112 -3.693 1.00 0.00 C ATOM 0 H ALA A 80 -4.109 0.035 -2.979 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.039 -1.836 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.914 -2.017 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.142 -0.368 -4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.455 -0.717 -2.679 1.00 0.00 H new ATOM 1245 N THR A 81 -3.444 -3.741 -3.407 1.00 0.00 N ATOM 1246 CA THR A 81 -3.938 -4.832 -2.507 1.00 0.00 C ATOM 1247 C THR A 81 -2.787 -5.766 -2.139 1.00 0.00 C ATOM 1248 O THR A 81 -2.064 -6.247 -2.992 1.00 0.00 O ATOM 1249 CB THR A 81 -5.026 -5.631 -3.224 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.126 -4.778 -3.504 1.00 0.00 O ATOM 1251 CG2 THR A 81 -5.485 -6.781 -2.327 1.00 0.00 C ATOM 0 H THR A 81 -3.076 -4.061 -4.303 1.00 0.00 H new ATOM 0 HA THR A 81 -4.345 -4.387 -1.599 1.00 0.00 H new ATOM 0 HB THR A 81 -4.632 -6.034 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.825 -5.287 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.261 -7.352 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.639 -7.433 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.883 -6.379 -1.395 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.613 -6.023 -0.866 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.508 -6.921 -0.411 1.00 0.00 C ATOM 1261 C VAL A 82 -2.097 -8.234 0.110 1.00 0.00 C ATOM 1262 O VAL A 82 -3.005 -8.252 0.922 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.727 -6.226 0.706 1.00 0.00 C ATOM 1264 CG1 VAL A 82 0.271 -7.210 1.323 1.00 0.00 C ATOM 1265 CG2 VAL A 82 0.026 -5.027 0.127 1.00 0.00 C ATOM 0 H VAL A 82 -3.194 -5.646 -0.117 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.840 -7.136 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.418 -5.884 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.827 -6.714 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.267 -8.064 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.965 -7.554 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.584 -4.530 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.718 -5.369 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.686 -4.327 -0.310 1.00 0.00 H new ATOM 1275 N ILE A 83 -1.579 -9.335 -0.363 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.086 -10.665 0.079 1.00 0.00 C ATOM 1277 C ILE A 83 -1.375 -11.086 1.368 1.00 0.00 C ATOM 1278 O ILE A 83 -0.162 -11.129 1.437 1.00 0.00 O ATOM 1279 CB ILE A 83 -1.804 -11.695 -1.016 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -2.303 -11.167 -2.368 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -2.519 -13.006 -0.682 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -3.766 -10.724 -2.256 1.00 0.00 C ATOM 0 H ILE A 83 -0.819 -9.370 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.158 -10.604 0.264 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.730 -11.872 -1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.685 -10.329 -2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.208 -11.943 -3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.318 -13.739 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.157 -13.385 0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.593 -12.829 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.108 -10.351 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.381 -11.572 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.851 -9.933 -1.511 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.132 -11.411 2.385 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.534 -11.849 3.685 1.00 0.00 C ATOM 1296 C LEU A 84 -1.821 -13.338 3.880 1.00 0.00 C ATOM 1297 O LEU A 84 -2.072 -13.804 4.975 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.160 -11.037 4.823 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.924 -9.541 4.580 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.634 -8.731 5.668 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.417 -9.232 4.611 1.00 0.00 C ATOM 0 H LEU A 84 -3.152 -11.392 2.371 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.456 -11.686 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.229 -11.241 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.724 -11.334 5.777 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.322 -9.271 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.467 -7.667 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.703 -8.940 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.237 -9.008 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.260 -8.167 4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.010 -9.505 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.088 -9.805 3.833 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.786 -14.086 2.812 1.00 0.00 N ATOM 1314 CA ASN A 85 -2.047 -15.552 2.902 1.00 0.00 C ATOM 1315 C ASN A 85 -0.966 -16.221 3.760 1.00 0.00 C ATOM 1316 O ASN A 85 -1.237 -17.111 4.541 1.00 0.00 O ATOM 1317 CB ASN A 85 -2.019 -16.152 1.492 1.00 0.00 C ATOM 1318 CG ASN A 85 -3.250 -15.696 0.708 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -4.182 -15.016 1.316 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -3.364 -15.955 -0.475 1.00 0.00 N flip ATOM 0 H ASN A 85 -1.586 -13.742 1.873 1.00 0.00 H new ATOM 0 HA ASN A 85 -3.022 -15.720 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.112 -15.842 0.974 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.997 -17.240 1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.637 -16.487 -0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.187 -15.640 -0.989 1.00 0.00 H new ATOM 1327 N SER A 86 0.265 -15.810 3.602 1.00 0.00 N ATOM 1328 CA SER A 86 1.369 -16.433 4.391 1.00 0.00 C ATOM 1329 C SER A 86 1.358 -15.907 5.833 1.00 0.00 C ATOM 1330 O SER A 86 0.896 -14.817 6.113 1.00 0.00 O ATOM 1331 CB SER A 86 2.713 -16.110 3.729 1.00 0.00 C ATOM 1332 OG SER A 86 2.555 -16.130 2.320 1.00 0.00 O ATOM 0 H SER A 86 0.554 -15.071 2.961 1.00 0.00 H new ATOM 0 HA SER A 86 1.224 -17.513 4.414 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.066 -15.131 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.466 -16.837 4.033 1.00 0.00 H new ATOM 0 HG SER A 86 3.412 -15.922 1.892 1.00 0.00 H new ATOM 1338 N GLN A 87 1.867 -16.688 6.749 1.00 0.00 N ATOM 1339 CA GLN A 87 1.899 -16.269 8.180 1.00 0.00 C ATOM 1340 C GLN A 87 2.912 -15.124 8.385 1.00 0.00 C ATOM 1341 O GLN A 87 2.600 -14.129 9.010 1.00 0.00 O ATOM 1342 CB GLN A 87 2.283 -17.492 9.048 1.00 0.00 C ATOM 1343 CG GLN A 87 1.164 -17.829 10.036 1.00 0.00 C ATOM 1344 CD GLN A 87 -0.094 -18.234 9.266 1.00 0.00 C ATOM 1345 OE1 GLN A 87 0.020 -18.883 8.137 1.00 0.00 O flip ATOM 1346 NE2 GLN A 87 -1.194 -17.951 9.693 1.00 0.00 N flip ATOM 0 H GLN A 87 2.266 -17.608 6.564 1.00 0.00 H new ATOM 0 HA GLN A 87 0.916 -15.903 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.480 -18.351 8.407 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.204 -17.283 9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.477 -18.640 10.693 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.953 -16.968 10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.284 -17.445 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.028 -18.220 9.171 1.00 0.00 H new ATOM 1355 N PRO A 88 4.115 -15.260 7.883 1.00 0.00 N ATOM 1356 CA PRO A 88 5.162 -14.209 8.048 1.00 0.00 C ATOM 1357 C PRO A 88 4.647 -12.833 7.610 1.00 0.00 C ATOM 1358 O PRO A 88 4.957 -11.818 8.202 1.00 0.00 O ATOM 1359 CB PRO A 88 6.310 -14.674 7.131 1.00 0.00 C ATOM 1360 CG PRO A 88 6.112 -16.148 6.952 1.00 0.00 C ATOM 1361 CD PRO A 88 4.609 -16.410 7.105 1.00 0.00 C ATOM 0 HA PRO A 88 5.469 -14.095 9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.280 -14.155 6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.280 -14.461 7.579 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.464 -16.470 5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.680 -16.708 7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 88 4.116 -16.475 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.420 -17.351 7.622 1.00 0.00 H new ATOM 1369 N GLU A 89 3.868 -12.807 6.566 1.00 0.00 N ATOM 1370 CA GLU A 89 3.322 -11.514 6.061 1.00 0.00 C ATOM 1371 C GLU A 89 2.390 -10.899 7.108 1.00 0.00 C ATOM 1372 O GLU A 89 2.391 -9.706 7.338 1.00 0.00 O ATOM 1373 CB GLU A 89 2.533 -11.777 4.776 1.00 0.00 C ATOM 1374 CG GLU A 89 3.492 -12.184 3.657 1.00 0.00 C ATOM 1375 CD GLU A 89 2.694 -12.567 2.406 1.00 0.00 C ATOM 1376 OE1 GLU A 89 1.476 -12.511 2.463 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.315 -12.909 1.413 1.00 0.00 O ATOM 0 H GLU A 89 3.583 -13.631 6.036 1.00 0.00 H new ATOM 0 HA GLU A 89 4.143 -10.825 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.799 -12.565 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.981 -10.883 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.171 -11.362 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.107 -13.025 3.979 1.00 0.00 H new ATOM 1384 N TRP A 90 1.591 -11.709 7.741 1.00 0.00 N ATOM 1385 CA TRP A 90 0.649 -11.185 8.776 1.00 0.00 C ATOM 1386 C TRP A 90 1.441 -10.543 9.923 1.00 0.00 C ATOM 1387 O TRP A 90 1.112 -9.475 10.401 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.197 -12.355 9.322 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.487 -12.452 8.575 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -1.857 -13.487 7.785 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.578 -11.490 8.532 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.111 -13.224 7.265 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.597 -12.003 7.697 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.780 -10.236 9.135 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.776 -11.292 7.466 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -3.964 -9.518 8.904 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.960 -10.047 8.072 1.00 0.00 C ATOM 0 H TRP A 90 1.547 -12.716 7.588 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.003 -10.433 8.331 1.00 0.00 H new ATOM 0 HB2 TRP A 90 0.357 -13.289 9.228 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.394 -12.207 10.384 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.269 -14.373 7.592 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.615 -13.853 6.640 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.019 -9.822 9.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.541 -11.702 6.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.108 -8.554 9.369 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.870 -9.492 7.899 1.00 0.00 H new ATOM 1408 N ASP A 91 2.473 -11.194 10.369 1.00 0.00 N ATOM 1409 CA ASP A 91 3.281 -10.633 11.488 1.00 0.00 C ATOM 1410 C ASP A 91 3.870 -9.287 11.063 1.00 0.00 C ATOM 1411 O ASP A 91 3.815 -8.310 11.788 1.00 0.00 O ATOM 1412 CB ASP A 91 4.417 -11.605 11.815 1.00 0.00 C ATOM 1413 CG ASP A 91 5.314 -11.001 12.897 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.914 -10.011 13.486 1.00 0.00 O ATOM 1415 OD2 ASP A 91 6.388 -11.538 13.115 1.00 0.00 O ATOM 0 H ASP A 91 2.795 -12.092 10.009 1.00 0.00 H new ATOM 0 HA ASP A 91 2.651 -10.491 12.366 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.008 -12.556 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.001 -11.812 10.918 1.00 0.00 H new ATOM 1420 N ARG A 92 4.430 -9.233 9.892 1.00 0.00 N ATOM 1421 CA ARG A 92 5.024 -7.957 9.395 1.00 0.00 C ATOM 1422 C ARG A 92 3.909 -6.938 9.149 1.00 0.00 C ATOM 1423 O ARG A 92 4.050 -5.760 9.417 1.00 0.00 O ATOM 1424 CB ARG A 92 5.759 -8.230 8.081 1.00 0.00 C ATOM 1425 CG ARG A 92 6.989 -9.108 8.352 1.00 0.00 C ATOM 1426 CD ARG A 92 8.027 -8.342 9.196 1.00 0.00 C ATOM 1427 NE ARG A 92 7.816 -8.666 10.635 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.731 -8.373 11.518 1.00 0.00 C ATOM 1429 NH1 ARG A 92 9.836 -7.784 11.150 1.00 0.00 N ATOM 1430 NH2 ARG A 92 8.537 -8.666 12.774 1.00 0.00 N ATOM 0 H ARG A 92 4.505 -10.022 9.249 1.00 0.00 H new ATOM 0 HA ARG A 92 5.720 -7.561 10.135 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.093 -8.727 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.065 -7.290 7.621 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.687 -10.016 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.437 -9.417 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.037 -8.618 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.927 -7.269 9.033 1.00 0.00 H new ATOM 0 HE ARG A 92 6.952 -9.119 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.987 -7.551 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.548 -7.557 11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.672 -9.123 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.250 -8.438 13.467 1.00 0.00 H new ATOM 1444 N PHE A 93 2.803 -7.388 8.623 1.00 0.00 N ATOM 1445 CA PHE A 93 1.667 -6.462 8.342 1.00 0.00 C ATOM 1446 C PHE A 93 1.154 -5.847 9.649 1.00 0.00 C ATOM 1447 O PHE A 93 0.952 -4.654 9.753 1.00 0.00 O ATOM 1448 CB PHE A 93 0.537 -7.252 7.679 1.00 0.00 C ATOM 1449 CG PHE A 93 -0.578 -6.313 7.287 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -0.561 -5.695 6.032 1.00 0.00 C ATOM 1451 CD2 PHE A 93 -1.630 -6.062 8.177 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -1.592 -4.823 5.667 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -2.662 -5.190 7.812 1.00 0.00 C ATOM 1454 CZ PHE A 93 -2.644 -4.571 6.556 1.00 0.00 C ATOM 0 H PHE A 93 2.636 -8.363 8.374 1.00 0.00 H new ATOM 0 HA PHE A 93 2.006 -5.663 7.682 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.913 -7.773 6.799 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.161 -8.012 8.364 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.249 -5.891 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.645 -6.541 9.145 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.577 -4.344 4.699 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.472 -4.994 8.499 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.441 -3.900 6.273 1.00 0.00 H new ATOM 1464 N MET A 94 0.931 -6.661 10.644 1.00 0.00 N ATOM 1465 CA MET A 94 0.426 -6.136 11.946 1.00 0.00 C ATOM 1466 C MET A 94 1.496 -5.261 12.608 1.00 0.00 C ATOM 1467 O MET A 94 1.210 -4.213 13.157 1.00 0.00 O ATOM 1468 CB MET A 94 0.095 -7.311 12.872 1.00 0.00 C ATOM 1469 CG MET A 94 -1.131 -8.055 12.344 1.00 0.00 C ATOM 1470 SD MET A 94 -1.544 -9.419 13.463 1.00 0.00 S ATOM 1471 CE MET A 94 -2.777 -10.222 12.407 1.00 0.00 C ATOM 0 H MET A 94 1.077 -7.670 10.612 1.00 0.00 H new ATOM 0 HA MET A 94 -0.468 -5.539 11.768 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.946 -7.990 12.932 1.00 0.00 H new ATOM 0 HB3 MET A 94 -0.095 -6.948 13.882 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.976 -7.371 12.261 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.932 -8.440 11.344 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.539 -10.691 13.029 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.243 -9.478 11.761 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.292 -10.982 11.794 1.00 0.00 H new ATOM 1481 N ARG A 95 2.729 -5.689 12.565 1.00 0.00 N ATOM 1482 CA ARG A 95 3.826 -4.891 13.193 1.00 0.00 C ATOM 1483 C ARG A 95 4.027 -3.585 12.419 1.00 0.00 C ATOM 1484 O ARG A 95 4.176 -2.523 12.993 1.00 0.00 O ATOM 1485 CB ARG A 95 5.126 -5.703 13.152 1.00 0.00 C ATOM 1486 CG ARG A 95 6.238 -4.933 13.873 1.00 0.00 C ATOM 1487 CD ARG A 95 7.535 -5.746 13.841 1.00 0.00 C ATOM 1488 NE ARG A 95 7.372 -6.987 14.656 1.00 0.00 N ATOM 1489 CZ ARG A 95 7.580 -6.969 15.949 1.00 0.00 C ATOM 1490 NH1 ARG A 95 7.921 -5.861 16.553 1.00 0.00 N ATOM 1491 NH2 ARG A 95 7.444 -8.067 16.638 1.00 0.00 N ATOM 0 H ARG A 95 3.026 -6.558 12.122 1.00 0.00 H new ATOM 0 HA ARG A 95 3.560 -4.663 14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.976 -6.673 13.626 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.414 -5.895 12.118 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.392 -3.966 13.395 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.947 -4.736 14.905 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.788 -6.005 12.813 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.359 -5.149 14.231 1.00 0.00 H new ATOM 0 HE ARG A 95 7.096 -7.857 14.201 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.027 -5.000 16.017 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.081 -5.858 17.560 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.177 -8.933 16.170 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.604 -8.060 17.645 1.00 0.00 H new ATOM 1505 N PHE A 96 4.042 -3.661 11.119 1.00 0.00 N ATOM 1506 CA PHE A 96 4.237 -2.433 10.295 1.00 0.00 C ATOM 1507 C PHE A 96 3.083 -1.463 10.550 1.00 0.00 C ATOM 1508 O PHE A 96 3.277 -0.283 10.770 1.00 0.00 O ATOM 1509 CB PHE A 96 4.260 -2.821 8.814 1.00 0.00 C ATOM 1510 CG PHE A 96 4.456 -1.585 7.965 1.00 0.00 C ATOM 1511 CD1 PHE A 96 5.720 -0.996 7.872 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.374 -1.030 7.267 1.00 0.00 C ATOM 1513 CE1 PHE A 96 5.903 0.147 7.086 1.00 0.00 C ATOM 1514 CE2 PHE A 96 3.560 0.113 6.479 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.826 0.700 6.390 1.00 0.00 C ATOM 0 H PHE A 96 3.927 -4.524 10.587 1.00 0.00 H new ATOM 0 HA PHE A 96 5.179 -1.955 10.563 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.064 -3.533 8.627 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.327 -3.315 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.555 -1.423 8.407 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.397 -1.484 7.337 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.880 0.603 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 96 2.727 0.540 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.971 1.581 5.783 1.00 0.00 H new ATOM 1525 N MET A 97 1.881 -1.962 10.522 1.00 0.00 N ATOM 1526 CA MET A 97 0.697 -1.091 10.762 1.00 0.00 C ATOM 1527 C MET A 97 0.721 -0.603 12.213 1.00 0.00 C ATOM 1528 O MET A 97 0.395 0.531 12.511 1.00 0.00 O ATOM 1529 CB MET A 97 -0.577 -1.902 10.519 1.00 0.00 C ATOM 1530 CG MET A 97 -1.801 -0.999 10.694 1.00 0.00 C ATOM 1531 SD MET A 97 -3.306 -1.950 10.357 1.00 0.00 S ATOM 1532 CE MET A 97 -4.347 -1.207 11.637 1.00 0.00 C ATOM 0 H MET A 97 1.665 -2.943 10.342 1.00 0.00 H new ATOM 0 HA MET A 97 0.721 -0.235 10.087 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.565 -2.325 9.514 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.627 -2.738 11.216 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.830 -0.600 11.708 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.737 -0.147 10.017 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.339 -1.657 11.606 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.900 -1.381 12.616 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.430 -0.134 11.462 1.00 0.00 H new ATOM 1542 N GLU A 98 1.103 -1.460 13.120 1.00 0.00 N ATOM 1543 CA GLU A 98 1.150 -1.067 14.559 1.00 0.00 C ATOM 1544 C GLU A 98 2.211 0.018 14.763 1.00 0.00 C ATOM 1545 O GLU A 98 1.956 1.057 15.342 1.00 0.00 O ATOM 1546 CB GLU A 98 1.524 -2.293 15.400 1.00 0.00 C ATOM 1547 CG GLU A 98 1.502 -1.924 16.888 1.00 0.00 C ATOM 1548 CD GLU A 98 1.838 -3.156 17.732 1.00 0.00 C ATOM 1549 OE1 GLU A 98 3.007 -3.501 17.804 1.00 0.00 O ATOM 1550 OE2 GLU A 98 0.922 -3.732 18.294 1.00 0.00 O ATOM 0 H GLU A 98 1.386 -2.421 12.926 1.00 0.00 H new ATOM 0 HA GLU A 98 0.175 -0.685 14.863 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.824 -3.106 15.207 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.514 -2.651 15.119 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.221 -1.129 17.086 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.519 -1.540 17.163 1.00 0.00 H new ATOM 1557 N ARG A 99 3.403 -0.220 14.292 1.00 0.00 N ATOM 1558 CA ARG A 99 4.489 0.788 14.449 1.00 0.00 C ATOM 1559 C ARG A 99 4.171 2.018 13.591 1.00 0.00 C ATOM 1560 O ARG A 99 4.386 3.148 13.987 1.00 0.00 O ATOM 1561 CB ARG A 99 5.818 0.183 13.981 1.00 0.00 C ATOM 1562 CG ARG A 99 6.273 -0.890 14.968 1.00 0.00 C ATOM 1563 CD ARG A 99 7.582 -1.524 14.481 1.00 0.00 C ATOM 1564 NE ARG A 99 8.667 -0.499 14.503 1.00 0.00 N ATOM 1565 CZ ARG A 99 9.872 -0.794 14.087 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.144 -1.989 13.639 1.00 0.00 N ATOM 1567 NH2 ARG A 99 10.808 0.114 14.121 1.00 0.00 N ATOM 0 H ARG A 99 3.673 -1.073 13.803 1.00 0.00 H new ATOM 0 HA ARG A 99 4.564 1.078 15.497 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.701 -0.250 12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.576 0.963 13.902 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.416 -0.451 15.955 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.503 -1.655 15.068 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.850 -2.367 15.118 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.456 -1.915 13.471 1.00 0.00 H new ATOM 0 HE ARG A 99 8.467 0.441 14.846 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.415 -2.701 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 99 11.086 -2.211 13.317 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.599 1.049 14.471 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.749 -0.111 13.798 1.00 0.00 H new ATOM 1581 N TYR A 100 3.663 1.795 12.413 1.00 0.00 N ATOM 1582 CA TYR A 100 3.326 2.929 11.502 1.00 0.00 C ATOM 1583 C TYR A 100 2.235 3.799 12.133 1.00 0.00 C ATOM 1584 O TYR A 100 2.337 5.008 12.183 1.00 0.00 O ATOM 1585 CB TYR A 100 2.811 2.362 10.178 1.00 0.00 C ATOM 1586 CG TYR A 100 2.381 3.489 9.271 1.00 0.00 C ATOM 1587 CD1 TYR A 100 1.092 4.030 9.384 1.00 0.00 C ATOM 1588 CD2 TYR A 100 3.266 3.989 8.308 1.00 0.00 C ATOM 1589 CE1 TYR A 100 0.693 5.071 8.539 1.00 0.00 C ATOM 1590 CE2 TYR A 100 2.866 5.029 7.464 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.579 5.570 7.578 1.00 0.00 C ATOM 1592 OH TYR A 100 1.186 6.598 6.745 1.00 0.00 O ATOM 0 H TYR A 100 3.464 0.868 12.036 1.00 0.00 H new ATOM 0 HA TYR A 100 4.215 3.536 11.333 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.591 1.773 9.696 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.972 1.690 10.361 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.407 3.643 10.124 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.258 3.571 8.217 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -0.299 5.489 8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.550 5.416 6.723 1.00 0.00 H new ATOM 0 HH TYR A 100 1.920 6.826 6.137 1.00 0.00 H new ATOM 1602 N GLY A 101 1.190 3.185 12.606 1.00 0.00 N ATOM 1603 CA GLY A 101 0.081 3.964 13.229 1.00 0.00 C ATOM 1604 C GLY A 101 0.567 4.622 14.523 1.00 0.00 C ATOM 1605 O GLY A 101 0.159 5.715 14.873 1.00 0.00 O ATOM 0 H GLY A 101 1.053 2.174 12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.274 4.726 12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.763 3.307 13.440 1.00 0.00 H new ATOM 1609 N ALA A 102 1.428 3.960 15.240 1.00 0.00 N ATOM 1610 CA ALA A 102 1.942 4.531 16.519 1.00 0.00 C ATOM 1611 C ALA A 102 2.673 5.849 16.249 1.00 0.00 C ATOM 1612 O ALA A 102 2.485 6.831 16.941 1.00 0.00 O ATOM 1613 CB ALA A 102 2.919 3.540 17.154 1.00 0.00 C ATOM 0 H ALA A 102 1.802 3.043 14.996 1.00 0.00 H new ATOM 0 HA ALA A 102 1.104 4.715 17.191 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.298 3.952 18.089 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.405 2.600 17.353 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.751 3.362 16.472 1.00 0.00 H new ATOM 1619 N GLU A 103 3.511 5.875 15.251 1.00 0.00 N ATOM 1620 CA GLU A 103 4.263 7.126 14.932 1.00 0.00 C ATOM 1621 C GLU A 103 3.427 8.012 14.005 1.00 0.00 C ATOM 1622 O GLU A 103 3.154 9.162 14.299 1.00 0.00 O ATOM 1623 CB GLU A 103 5.573 6.765 14.228 1.00 0.00 C ATOM 1624 CG GLU A 103 6.511 6.066 15.213 1.00 0.00 C ATOM 1625 CD GLU A 103 7.789 5.632 14.487 1.00 0.00 C ATOM 1626 OE1 GLU A 103 7.892 5.889 13.300 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.644 5.051 15.136 1.00 0.00 O ATOM 0 H GLU A 103 3.710 5.083 14.639 1.00 0.00 H new ATOM 0 HA GLU A 103 4.473 7.663 15.857 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.373 6.114 13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.047 7.665 13.836 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.758 6.738 16.035 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.016 5.198 15.649 1.00 0.00 H new ATOM 1634 N ASN A 104 3.028 7.489 12.881 1.00 0.00 N ATOM 1635 CA ASN A 104 2.214 8.292 11.921 1.00 0.00 C ATOM 1636 C ASN A 104 0.727 8.194 12.293 1.00 0.00 C ATOM 1637 O ASN A 104 0.187 9.037 12.981 1.00 0.00 O ATOM 1638 CB ASN A 104 2.421 7.735 10.508 1.00 0.00 C ATOM 1639 CG ASN A 104 3.840 8.046 10.032 1.00 0.00 C ATOM 1640 OD1 ASN A 104 4.496 8.919 10.564 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.344 7.364 9.040 1.00 0.00 N ATOM 0 H ASN A 104 3.230 6.535 12.582 1.00 0.00 H new ATOM 0 HA ASN A 104 2.525 9.336 11.961 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.254 6.658 10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 104 1.694 8.173 9.824 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.289 7.564 8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 104 3.793 6.631 8.593 1.00 0.00 H new ATOM 1648 N GLY A 105 0.067 7.167 11.828 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.386 6.992 12.136 1.00 0.00 C ATOM 1650 C GLY A 105 -2.128 8.313 11.943 1.00 0.00 C ATOM 1651 O GLY A 105 -2.236 9.117 12.851 1.00 0.00 O ATOM 0 H GLY A 105 0.473 6.436 11.244 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.814 6.228 11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.509 6.644 13.162 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.644 8.542 10.764 1.00 0.00 N ATOM 1656 CA LEU A 106 -3.381 9.812 10.489 1.00 0.00 C ATOM 1657 C LEU A 106 -4.625 9.531 9.655 1.00 0.00 C ATOM 1658 O LEU A 106 -5.117 8.421 9.598 1.00 0.00 O ATOM 1659 CB LEU A 106 -2.474 10.771 9.719 1.00 0.00 C ATOM 1660 CG LEU A 106 -1.171 11.023 10.514 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -0.071 10.070 10.030 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -0.702 12.469 10.315 1.00 0.00 C ATOM 0 H LEU A 106 -2.586 7.899 9.974 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.677 10.258 11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.237 10.353 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.992 11.714 9.546 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.370 10.848 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.843 10.253 10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.390 9.039 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.117 10.240 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.216 12.635 10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.515 12.648 9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.473 13.154 10.668 1.00 0.00 H new ATOM 1674 N GLY A 107 -5.141 10.546 9.013 1.00 0.00 N ATOM 1675 CA GLY A 107 -6.367 10.375 8.178 1.00 0.00 C ATOM 1676 C GLY A 107 -6.228 11.167 6.874 1.00 0.00 C ATOM 1677 O GLY A 107 -5.720 10.679 5.882 1.00 0.00 O ATOM 0 H GLY A 107 -4.763 11.493 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.522 9.319 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.243 10.717 8.729 1.00 0.00 H new ATOM 1681 N PHE A 108 -6.688 12.390 6.868 1.00 0.00 N ATOM 1682 CA PHE A 108 -6.601 13.236 5.634 1.00 0.00 C ATOM 1683 C PHE A 108 -5.398 14.184 5.743 1.00 0.00 C ATOM 1684 O PHE A 108 -5.298 15.167 5.035 1.00 0.00 O ATOM 1685 CB PHE A 108 -7.891 14.051 5.502 1.00 0.00 C ATOM 1686 CG PHE A 108 -9.065 13.110 5.346 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -9.245 12.412 4.148 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -9.974 12.934 6.401 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -10.330 11.538 4.000 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -11.058 12.060 6.252 1.00 0.00 C ATOM 1691 CZ PHE A 108 -11.235 11.362 5.052 1.00 0.00 C ATOM 0 H PHE A 108 -7.124 12.846 7.670 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.474 12.601 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.029 14.680 6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -7.827 14.717 4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -8.547 12.547 3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.837 13.472 7.327 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -10.468 11.000 3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -11.758 11.925 7.063 1.00 0.00 H new ATOM 0 HZ PHE A 108 -12.071 10.687 4.938 1.00 0.00 H new ATOM 1701 N SER A 109 -4.489 13.891 6.631 1.00 0.00 N ATOM 1702 CA SER A 109 -3.296 14.768 6.808 1.00 0.00 C ATOM 1703 C SER A 109 -2.395 14.729 5.567 1.00 0.00 C ATOM 1704 O SER A 109 -2.260 13.715 4.908 1.00 0.00 O ATOM 1705 CB SER A 109 -2.502 14.298 8.026 1.00 0.00 C ATOM 1706 OG SER A 109 -1.296 15.048 8.122 1.00 0.00 O ATOM 0 H SER A 109 -4.521 13.077 7.245 1.00 0.00 H new ATOM 0 HA SER A 109 -3.637 15.793 6.953 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.095 14.425 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.276 13.235 7.939 1.00 0.00 H new ATOM 0 HG SER A 109 -0.865 14.865 8.983 1.00 0.00 H new ATOM 1712 N LYS A 110 -1.776 15.844 5.264 1.00 0.00 N ATOM 1713 CA LYS A 110 -0.866 15.935 4.081 1.00 0.00 C ATOM 1714 C LYS A 110 -1.445 15.153 2.896 1.00 0.00 C ATOM 1715 O LYS A 110 -0.722 14.603 2.090 1.00 0.00 O ATOM 1716 CB LYS A 110 0.515 15.383 4.443 1.00 0.00 C ATOM 1717 CG LYS A 110 1.159 16.288 5.498 1.00 0.00 C ATOM 1718 CD LYS A 110 2.614 15.865 5.733 1.00 0.00 C ATOM 1719 CE LYS A 110 2.660 14.500 6.427 1.00 0.00 C ATOM 1720 NZ LYS A 110 4.020 14.276 6.992 1.00 0.00 N ATOM 0 H LYS A 110 -1.865 16.709 5.796 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.772 16.982 3.794 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.425 14.366 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.145 15.335 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.122 17.327 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.599 16.228 6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.145 15.816 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.123 16.610 6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 110 1.914 14.458 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.415 13.710 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.052 13.349 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.722 14.299 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.237 15.023 7.682 1.00 0.00 H new ATOM 1734 N SER A 111 -2.748 15.111 2.789 1.00 0.00 N ATOM 1735 CA SER A 111 -3.407 14.374 1.661 1.00 0.00 C ATOM 1736 C SER A 111 -4.431 15.285 0.979 1.00 0.00 C ATOM 1737 O SER A 111 -4.193 15.826 -0.085 1.00 0.00 O ATOM 1738 CB SER A 111 -4.130 13.147 2.216 1.00 0.00 C ATOM 1739 OG SER A 111 -5.185 13.580 3.060 1.00 0.00 O ATOM 0 H SER A 111 -3.393 15.559 3.440 1.00 0.00 H new ATOM 0 HA SER A 111 -2.650 14.068 0.939 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.524 12.540 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.435 12.519 2.773 1.00 0.00 H new ATOM 0 HG SER A 111 -4.922 14.408 3.513 1.00 0.00 H new ATOM 1745 N GLU A 112 -5.575 15.459 1.588 1.00 0.00 N ATOM 1746 CA GLU A 112 -6.626 16.334 0.990 1.00 0.00 C ATOM 1747 C GLU A 112 -6.359 17.788 1.387 1.00 0.00 C ATOM 1748 O GLU A 112 -6.963 18.710 0.875 1.00 0.00 O ATOM 1749 CB GLU A 112 -8.002 15.902 1.511 1.00 0.00 C ATOM 1750 CG GLU A 112 -8.366 14.537 0.923 1.00 0.00 C ATOM 1751 CD GLU A 112 -9.684 14.043 1.529 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -10.229 14.742 2.366 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -10.124 12.972 1.144 1.00 0.00 O ATOM 0 H GLU A 112 -5.827 15.030 2.478 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.606 16.245 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.990 15.849 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -8.755 16.641 1.236 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.459 14.611 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.571 13.820 1.126 1.00 0.00 H new ATOM 1760 N LEU A 113 -5.445 17.995 2.294 1.00 0.00 N ATOM 1761 CA LEU A 113 -5.115 19.383 2.734 1.00 0.00 C ATOM 1762 C LEU A 113 -3.884 19.867 1.954 1.00 0.00 C ATOM 1763 O LEU A 113 -3.994 20.591 0.984 1.00 0.00 O ATOM 1764 CB LEU A 113 -4.798 19.369 4.237 1.00 0.00 C ATOM 1765 CG LEU A 113 -5.927 18.671 5.004 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -5.521 18.510 6.471 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -7.214 19.501 4.914 1.00 0.00 C ATOM 0 H LEU A 113 -4.908 17.259 2.753 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.957 20.050 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.854 18.853 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.676 20.389 4.601 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.106 17.690 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.323 18.014 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.613 17.910 6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.337 19.492 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -8.011 18.998 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.042 20.486 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.505 19.610 3.869 1.00 0.00 H new ATOM 1779 N GLU A 114 -2.711 19.456 2.376 1.00 0.00 N ATOM 1780 CA GLU A 114 -1.452 19.870 1.682 1.00 0.00 C ATOM 1781 C GLU A 114 -1.497 21.368 1.349 1.00 0.00 C ATOM 1782 O GLU A 114 -0.700 21.870 0.581 1.00 0.00 O ATOM 1783 CB GLU A 114 -1.277 19.052 0.397 1.00 0.00 C ATOM 1784 CG GLU A 114 -1.022 17.589 0.761 1.00 0.00 C ATOM 1785 CD GLU A 114 -0.902 16.755 -0.516 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -1.010 17.329 -1.587 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -0.706 15.555 -0.401 1.00 0.00 O ATOM 0 H GLU A 114 -2.572 18.845 3.181 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.605 19.685 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.169 19.134 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.444 19.444 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.109 17.504 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.836 17.211 1.379 1.00 0.00 H new ATOM 1794 N HIS A 115 -2.419 22.088 1.932 1.00 0.00 N ATOM 1795 CA HIS A 115 -2.527 23.559 1.676 1.00 0.00 C ATOM 1796 C HIS A 115 -1.968 24.318 2.885 1.00 0.00 C ATOM 1797 O HIS A 115 -1.893 25.530 2.896 1.00 0.00 O ATOM 1798 CB HIS A 115 -4.000 23.933 1.482 1.00 0.00 C ATOM 1799 CG HIS A 115 -4.509 23.358 0.187 1.00 0.00 C ATOM 1800 ND1 HIS A 115 -5.522 22.472 -0.090 1.00 0.00 N flip ATOM 1801 CD2 HIS A 115 -3.964 23.703 -1.039 1.00 0.00 C flip ATOM 1802 CE1 HIS A 115 -5.604 22.268 -1.463 1.00 0.00 C flip ATOM 1803 NE2 HIS A 115 -4.643 23.032 -1.989 1.00 0.00 N flip ATOM 0 H HIS A 115 -3.111 21.717 2.583 1.00 0.00 H new ATOM 0 HA HIS A 115 -1.963 23.821 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -4.593 23.556 2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.111 25.017 1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -3.144 24.386 -1.203 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.296 21.629 -1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -4.447 23.099 -2.988 1.00 0.00 H new ATOM 1811 N HIS A 116 -1.584 23.603 3.907 1.00 0.00 N ATOM 1812 CA HIS A 116 -1.043 24.260 5.131 1.00 0.00 C ATOM 1813 C HIS A 116 0.312 24.918 4.843 1.00 0.00 C ATOM 1814 O HIS A 116 1.068 24.481 3.996 1.00 0.00 O ATOM 1815 CB HIS A 116 -0.875 23.211 6.235 1.00 0.00 C ATOM 1816 CG HIS A 116 0.200 22.231 5.850 1.00 0.00 C ATOM 1817 ND1 HIS A 116 0.575 21.703 4.636 1.00 0.00 N flip ATOM 1818 CD2 HIS A 116 1.051 21.662 6.785 1.00 0.00 C flip ATOM 1819 CE1 HIS A 116 1.639 20.824 4.815 1.00 0.00 C flip ATOM 1820 NE2 HIS A 116 1.886 20.837 6.127 1.00 0.00 N flip ATOM 0 H HIS A 116 -1.622 22.584 3.947 1.00 0.00 H new ATOM 0 HA HIS A 116 -1.742 25.033 5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -0.616 23.698 7.175 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.817 22.686 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.045 21.847 7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.154 20.254 4.056 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.619 20.288 6.576 1.00 0.00 H new ATOM 1828 N HIS A 117 0.612 25.972 5.559 1.00 0.00 N ATOM 1829 CA HIS A 117 1.904 26.690 5.367 1.00 0.00 C ATOM 1830 C HIS A 117 2.133 26.978 3.880 1.00 0.00 C ATOM 1831 O HIS A 117 2.574 26.137 3.122 1.00 0.00 O ATOM 1832 CB HIS A 117 3.054 25.842 5.925 1.00 0.00 C ATOM 1833 CG HIS A 117 4.276 26.704 6.106 1.00 0.00 C ATOM 1834 ND1 HIS A 117 4.213 27.961 6.691 1.00 0.00 N ATOM 1835 CD2 HIS A 117 5.596 26.504 5.791 1.00 0.00 C ATOM 1836 CE1 HIS A 117 5.462 28.462 6.709 1.00 0.00 C ATOM 1837 NE2 HIS A 117 6.343 27.614 6.173 1.00 0.00 N ATOM 0 H HIS A 117 0.007 26.369 6.278 1.00 0.00 H new ATOM 0 HA HIS A 117 1.868 27.639 5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.764 25.400 6.878 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.275 25.019 5.246 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.995 25.619 5.318 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.720 29.432 7.108 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.348 27.751 6.066 1.00 0.00 H new ATOM 1845 N HIS A 118 1.842 28.185 3.468 1.00 0.00 N ATOM 1846 CA HIS A 118 2.040 28.566 2.044 1.00 0.00 C ATOM 1847 C HIS A 118 3.529 28.457 1.697 1.00 0.00 C ATOM 1848 O HIS A 118 3.903 27.991 0.638 1.00 0.00 O ATOM 1849 CB HIS A 118 1.578 30.014 1.842 1.00 0.00 C ATOM 1850 CG HIS A 118 0.078 30.094 1.966 1.00 0.00 C ATOM 1851 ND1 HIS A 118 -0.557 30.291 3.183 1.00 0.00 N ATOM 1852 CD2 HIS A 118 -0.924 30.005 1.031 1.00 0.00 C ATOM 1853 CE1 HIS A 118 -1.883 30.310 2.950 1.00 0.00 C ATOM 1854 NE2 HIS A 118 -2.161 30.140 1.655 1.00 0.00 N ATOM 0 H HIS A 118 1.473 28.926 4.064 1.00 0.00 H new ATOM 0 HA HIS A 118 1.463 27.903 1.400 1.00 0.00 H new ATOM 0 HB2 HIS A 118 2.048 30.662 2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 118 1.890 30.371 0.861 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -0.775 29.853 -0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -2.631 30.446 3.717 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.082 30.115 1.217 1.00 0.00 H new ATOM 1862 N HIS A 119 4.379 28.893 2.586 1.00 0.00 N ATOM 1863 CA HIS A 119 5.845 28.829 2.318 1.00 0.00 C ATOM 1864 C HIS A 119 6.337 27.380 2.373 1.00 0.00 C ATOM 1865 O HIS A 119 5.848 26.565 3.134 1.00 0.00 O ATOM 1866 CB HIS A 119 6.599 29.658 3.359 1.00 0.00 C ATOM 1867 CG HIS A 119 8.063 29.693 3.003 1.00 0.00 C ATOM 1868 ND1 HIS A 119 8.933 28.671 3.351 1.00 0.00 N ATOM 1869 CD2 HIS A 119 8.820 30.615 2.323 1.00 0.00 C ATOM 1870 CE1 HIS A 119 10.151 29.000 2.882 1.00 0.00 C ATOM 1871 NE2 HIS A 119 10.138 30.176 2.249 1.00 0.00 N ATOM 0 H HIS A 119 4.121 29.292 3.489 1.00 0.00 H new ATOM 0 HA HIS A 119 6.032 29.231 1.322 1.00 0.00 H new ATOM 0 HB2 HIS A 119 6.197 30.671 3.395 1.00 0.00 H new ATOM 0 HB3 HIS A 119 6.464 29.227 4.351 1.00 0.00 H new ATOM 0 HD2 HIS A 119 8.449 31.541 1.909 1.00 0.00 H new ATOM 0 HE1 HIS A 119 11.032 28.387 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 119 10.925 30.650 1.806 1.00 0.00 H new ATOM 1879 N HIS A 120 7.313 27.068 1.567 1.00 0.00 N ATOM 1880 CA HIS A 120 7.875 25.691 1.542 1.00 0.00 C ATOM 1881 C HIS A 120 6.748 24.670 1.359 1.00 0.00 C ATOM 1882 O HIS A 120 6.362 24.054 2.339 1.00 0.00 O ATOM 1883 CB HIS A 120 8.622 25.418 2.850 1.00 0.00 C ATOM 1884 CG HIS A 120 9.184 24.021 2.826 1.00 0.00 C ATOM 1885 ND1 HIS A 120 10.284 23.680 2.053 1.00 0.00 N ATOM 1886 CD2 HIS A 120 8.811 22.874 3.477 1.00 0.00 C ATOM 1887 CE1 HIS A 120 10.531 22.373 2.259 1.00 0.00 C ATOM 1888 NE2 HIS A 120 9.662 21.833 3.118 1.00 0.00 N ATOM 1889 OXT HIS A 120 6.293 24.519 0.237 1.00 0.00 O ATOM 0 H HIS A 120 7.751 27.719 0.915 1.00 0.00 H new ATOM 0 HA HIS A 120 8.570 25.601 0.707 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.426 26.143 2.980 1.00 0.00 H new ATOM 0 HB3 HIS A 120 7.947 25.535 3.698 1.00 0.00 H new ATOM 0 HD2 HIS A 120 7.982 22.791 4.164 1.00 0.00 H new ATOM 0 HE1 HIS A 120 11.334 21.827 1.787 1.00 0.00 H new ATOM 0 HE2 HIS A 120 9.629 20.866 3.441 1.00 0.00 H new TER 1897 HIS A 120