USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1104 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 437 LYS NZ :NH3+ -169:sc= -0.0636 (180deg=-0.296) USER MOD Set 1.2: A 441 THR OG1 : rot 83:sc= 0.292 USER MOD Set 2.1: A 79 LYS NZ :NH3+ -144:sc= 0.701 (180deg=-0.00962) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.954 K(o=1.7,f=-5.9!) USER MOD Set 3.1: A 40 TYR OH : rot -8:sc= 0.611 USER MOD Set 3.2: A 71 THR OG1 : rot -140:sc= 0.845 USER MOD Set 4.1: A 18 SER OG : rot -81:sc= 0.718 USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.248 F(o=-0.3,f=0.97) USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.128 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.19) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 84:sc= 0.652 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.806 F(o=-2.2!,f=-0.81) USER MOD Single : A 35 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.004) USER MOD Single : A 36 GLN : amide:sc= -0.486 K(o=-0.49,f=-2.3!) USER MOD Single : A 39 SER OG : rot 170:sc=-0.00211 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.384 F(o=-1.3,f=-0.38) USER MOD Single : A 43 SER OG : rot 92:sc= 1.24 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -145:sc= -0.455 (180deg=-0.663) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 165:sc= -3.43! (180deg=-3.65!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.655 F(o=-1.9,f=-0.65) USER MOD Single : A 76 GLN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -1:sc= 1.11 USER MOD Single : A 95 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.035) USER MOD Single : A 432 THR OG1 : rot -73:sc= 0.273 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc=-0.00749 X(o=-0.0075,f=-0.0075) USER MOD Single : A 442 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -119:sc= 0 (180deg=-1.51!) USER MOD Single : A 447 MET CE :methyl -131:sc= -0.746 (180deg=-3.78!) USER MOD Single : A 448 SER OG : rot 7:sc= 0.119 USER MOD Single : A 449 LYS NZ :NH3+ -174:sc= 0.432 (180deg=0.414) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 453 THR OG1 : rot 152:sc= -1.17! USER MOD Single : A 454 SER OG : rot -7:sc= 0.549 USER MOD Single : A 455 SER OG : rot 72:sc= 1.1 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.876 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.221 F(o=-1.8,f=-0.22) USER MOD Single : A 460 GLN : amide:sc= 0.167 X(o=0.17,f=-0.028) USER MOD Single : A 462 THR OG1 : rot 74:sc= 1.22 USER MOD Single : A 464 MET CE :methyl -162:sc= -0.0797 (180deg=-0.438) USER MOD Single : A 465 ASN : amide:sc=-0.00361 K(o=-0.0036,f=-1.8!) USER MOD Single : A 466 LYS NZ :NH3+ -171:sc= -0.0115 (180deg=-0.123) USER MOD Single : A 467 SER OG : rot 47:sc= 0.0944 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.075 21.353 17.560 1.00 11.52 N ATOM 21 CA THR A 2 -2.958 20.699 16.568 1.00 12.01 C ATOM 22 C THR A 2 -2.169 19.836 15.556 1.00 75.34 C ATOM 23 O THR A 2 -2.494 18.664 15.346 1.00 45.02 O ATOM 24 CB THR A 2 -3.810 21.760 15.803 1.00 0.43 C ATOM 25 OG1 THR A 2 -2.947 22.764 15.244 1.00 32.02 O ATOM 26 CG2 THR A 2 -4.854 22.437 16.714 1.00 32.52 C ATOM 0 HA THR A 2 -3.618 20.036 17.127 1.00 12.01 H new ATOM 0 HB THR A 2 -4.347 21.236 15.012 1.00 0.43 H new ATOM 0 HG1 THR A 2 -2.188 22.915 15.845 1.00 32.02 H new ATOM 0 HG21 THR A 2 -5.422 23.167 16.137 1.00 32.52 H new ATOM 0 HG22 THR A 2 -5.532 21.683 17.113 1.00 32.52 H new ATOM 0 HG23 THR A 2 -4.347 22.941 17.537 1.00 32.52 H new ATOM 34 N SER A 3 -1.104 20.423 14.983 1.00 33.22 N ATOM 35 CA SER A 3 -0.239 19.748 13.999 1.00 1.44 C ATOM 36 C SER A 3 0.575 18.604 14.650 1.00 13.52 C ATOM 37 O SER A 3 0.796 17.558 14.029 1.00 43.24 O ATOM 38 CB SER A 3 0.686 20.780 13.323 1.00 1.41 C ATOM 39 OG SER A 3 -0.079 21.809 12.711 1.00 2.15 O ATOM 0 H SER A 3 -0.818 21.380 15.189 1.00 33.22 H new ATOM 0 HA SER A 3 -0.871 19.293 13.237 1.00 1.44 H new ATOM 0 HB2 SER A 3 1.361 21.211 14.062 1.00 1.41 H new ATOM 0 HB3 SER A 3 1.306 20.286 12.575 1.00 1.41 H new ATOM 0 HG SER A 3 0.523 22.457 12.288 1.00 2.15 H new ATOM 45 N THR A 4 0.980 18.809 15.911 1.00 75.45 N ATOM 46 CA THR A 4 1.779 17.833 16.670 1.00 52.51 C ATOM 47 C THR A 4 0.939 16.592 17.070 1.00 12.34 C ATOM 48 O THR A 4 1.427 15.463 17.012 1.00 72.31 O ATOM 49 CB THR A 4 2.401 18.509 17.936 1.00 43.21 C ATOM 50 OG1 THR A 4 3.144 19.676 17.541 1.00 74.53 O ATOM 51 CG2 THR A 4 3.320 17.558 18.730 1.00 73.11 C ATOM 0 H THR A 4 0.763 19.657 16.435 1.00 75.45 H new ATOM 0 HA THR A 4 2.585 17.487 16.023 1.00 52.51 H new ATOM 0 HB THR A 4 1.576 18.783 18.593 1.00 43.21 H new ATOM 0 HG1 THR A 4 3.532 20.101 18.334 1.00 74.53 H new ATOM 0 HG21 THR A 4 3.723 18.081 19.597 1.00 73.11 H new ATOM 0 HG22 THR A 4 2.747 16.692 19.062 1.00 73.11 H new ATOM 0 HG23 THR A 4 4.140 17.228 18.092 1.00 73.11 H new ATOM 59 N VAL A 5 -0.343 16.806 17.431 1.00 33.44 N ATOM 60 CA VAL A 5 -1.220 15.727 17.932 1.00 40.24 C ATOM 61 C VAL A 5 -1.768 14.880 16.757 1.00 12.44 C ATOM 62 O VAL A 5 -1.863 13.655 16.875 1.00 41.23 O ATOM 63 CB VAL A 5 -2.394 16.280 18.842 1.00 40.32 C ATOM 64 CG1 VAL A 5 -3.387 17.157 18.057 1.00 42.11 C ATOM 65 CG2 VAL A 5 -3.124 15.133 19.587 1.00 74.43 C ATOM 0 H VAL A 5 -0.795 17.719 17.385 1.00 33.44 H new ATOM 0 HA VAL A 5 -0.612 15.082 18.567 1.00 40.24 H new ATOM 0 HB VAL A 5 -1.929 16.923 19.589 1.00 40.32 H new ATOM 0 HG11 VAL A 5 -4.170 17.509 18.728 1.00 42.11 H new ATOM 0 HG12 VAL A 5 -2.861 18.012 17.633 1.00 42.11 H new ATOM 0 HG13 VAL A 5 -3.834 16.571 17.254 1.00 42.11 H new ATOM 0 HG21 VAL A 5 -3.923 15.549 20.201 1.00 74.43 H new ATOM 0 HG22 VAL A 5 -3.548 14.440 18.861 1.00 74.43 H new ATOM 0 HG23 VAL A 5 -2.415 14.603 20.223 1.00 74.43 H new ATOM 75 N GLU A 6 -2.084 15.538 15.611 1.00 43.11 N ATOM 76 CA GLU A 6 -2.535 14.838 14.391 1.00 22.24 C ATOM 77 C GLU A 6 -1.377 14.004 13.811 1.00 12.51 C ATOM 78 O GLU A 6 -1.595 12.932 13.260 1.00 1.20 O ATOM 79 CB GLU A 6 -3.090 15.837 13.338 1.00 11.03 C ATOM 80 CG GLU A 6 -2.052 16.807 12.749 1.00 13.03 C ATOM 81 CD GLU A 6 -2.650 17.846 11.790 1.00 71.13 C ATOM 82 OE1 GLU A 6 -3.196 18.861 12.263 1.00 34.45 O ATOM 83 OE2 GLU A 6 -2.581 17.654 10.566 1.00 73.10 O ATOM 0 H GLU A 6 -2.033 16.552 15.512 1.00 43.11 H new ATOM 0 HA GLU A 6 -3.352 14.167 14.657 1.00 22.24 H new ATOM 0 HB2 GLU A 6 -3.538 15.270 12.522 1.00 11.03 H new ATOM 0 HB3 GLU A 6 -3.889 16.419 13.798 1.00 11.03 H new ATOM 0 HG2 GLU A 6 -1.549 17.326 13.565 1.00 13.03 H new ATOM 0 HG3 GLU A 6 -1.291 16.233 12.220 1.00 13.03 H new ATOM 90 N PHE A 7 -0.144 14.527 13.968 1.00 21.14 N ATOM 91 CA PHE A 7 1.101 13.796 13.686 1.00 64.04 C ATOM 92 C PHE A 7 1.140 12.466 14.482 1.00 55.22 C ATOM 93 O PHE A 7 1.225 11.394 13.879 1.00 12.25 O ATOM 94 CB PHE A 7 2.293 14.730 14.035 1.00 21.14 C ATOM 95 CG PHE A 7 3.687 14.117 13.977 1.00 21.42 C ATOM 96 CD1 PHE A 7 4.437 14.144 12.806 1.00 32.15 C ATOM 97 CD2 PHE A 7 4.265 13.547 15.111 1.00 55.42 C ATOM 98 CE1 PHE A 7 5.710 13.614 12.776 1.00 31.23 C ATOM 99 CE2 PHE A 7 5.533 13.017 15.067 1.00 52.53 C ATOM 100 CZ PHE A 7 6.257 13.056 13.901 1.00 24.03 C ATOM 0 H PHE A 7 0.013 15.479 14.298 1.00 21.14 H new ATOM 0 HA PHE A 7 1.162 13.524 12.632 1.00 64.04 H new ATOM 0 HB2 PHE A 7 2.268 15.581 13.355 1.00 21.14 H new ATOM 0 HB3 PHE A 7 2.135 15.121 15.040 1.00 21.14 H new ATOM 0 HD1 PHE A 7 4.019 14.584 11.913 1.00 32.15 H new ATOM 0 HD2 PHE A 7 3.709 13.522 16.037 1.00 55.42 H new ATOM 0 HE1 PHE A 7 6.280 13.639 11.859 1.00 31.23 H new ATOM 0 HE2 PHE A 7 5.961 12.569 15.952 1.00 52.53 H new ATOM 0 HZ PHE A 7 7.256 12.647 13.871 1.00 24.03 H new ATOM 110 N ILE A 8 1.011 12.565 15.833 1.00 53.34 N ATOM 111 CA ILE A 8 1.068 11.402 16.757 1.00 23.53 C ATOM 112 C ILE A 8 0.037 10.321 16.368 1.00 3.21 C ATOM 113 O ILE A 8 0.408 9.179 16.056 1.00 71.35 O ATOM 114 CB ILE A 8 0.788 11.822 18.253 1.00 54.51 C ATOM 115 CG1 ILE A 8 1.812 12.882 18.749 1.00 24.22 C ATOM 116 CG2 ILE A 8 0.780 10.584 19.189 1.00 44.32 C ATOM 117 CD1 ILE A 8 1.489 13.499 20.099 1.00 75.14 C ATOM 0 H ILE A 8 0.865 13.454 16.311 1.00 53.34 H new ATOM 0 HA ILE A 8 2.079 11.004 16.672 1.00 23.53 H new ATOM 0 HB ILE A 8 -0.202 12.277 18.283 1.00 54.51 H new ATOM 0 HG12 ILE A 8 2.796 12.417 18.804 1.00 24.22 H new ATOM 0 HG13 ILE A 8 1.877 13.678 18.008 1.00 24.22 H new ATOM 0 HG21 ILE A 8 0.585 10.903 20.213 1.00 44.32 H new ATOM 0 HG22 ILE A 8 0.001 9.892 18.870 1.00 44.32 H new ATOM 0 HG23 ILE A 8 1.749 10.086 19.142 1.00 44.32 H new ATOM 0 HD11 ILE A 8 2.259 14.225 20.361 1.00 75.14 H new ATOM 0 HD12 ILE A 8 0.521 13.998 20.049 1.00 75.14 H new ATOM 0 HD13 ILE A 8 1.455 12.717 20.858 1.00 75.14 H new ATOM 129 N ASN A 9 -1.258 10.723 16.395 1.00 72.20 N ATOM 130 CA ASN A 9 -2.399 9.815 16.194 1.00 5.22 C ATOM 131 C ASN A 9 -2.342 9.138 14.827 1.00 70.45 C ATOM 132 O ASN A 9 -2.533 7.926 14.747 1.00 52.32 O ATOM 133 CB ASN A 9 -3.772 10.533 16.372 1.00 61.23 C ATOM 134 CG ASN A 9 -4.070 10.879 17.832 1.00 1.54 C ATOM 135 OD1 ASN A 9 -4.516 10.028 18.603 1.00 72.41 O ATOM 136 ND2 ASN A 9 -3.865 12.122 18.222 1.00 0.03 N ATOM 0 H ASN A 9 -1.534 11.691 16.558 1.00 72.20 H new ATOM 0 HA ASN A 9 -2.317 9.053 16.969 1.00 5.22 H new ATOM 0 HB2 ASN A 9 -3.780 11.446 15.777 1.00 61.23 H new ATOM 0 HB3 ASN A 9 -4.565 9.893 15.985 1.00 61.23 H new ATOM 0 HD21 ASN A 9 -4.077 12.397 19.181 1.00 0.03 H new ATOM 0 HD22 ASN A 9 -3.495 12.808 17.565 1.00 0.03 H new ATOM 143 N ARG A 10 -2.055 9.915 13.762 1.00 32.34 N ATOM 144 CA ARG A 10 -2.094 9.383 12.388 1.00 61.22 C ATOM 145 C ARG A 10 -0.925 8.445 12.094 1.00 10.42 C ATOM 146 O ARG A 10 -1.110 7.511 11.338 1.00 24.42 O ATOM 147 CB ARG A 10 -2.191 10.488 11.318 1.00 54.34 C ATOM 148 CG ARG A 10 -3.485 11.306 11.407 1.00 60.22 C ATOM 149 CD ARG A 10 -3.635 12.285 10.244 1.00 32.13 C ATOM 150 NE ARG A 10 -2.433 13.124 10.060 1.00 31.43 N ATOM 151 CZ ARG A 10 -2.435 14.446 9.863 1.00 54.10 C ATOM 152 NH1 ARG A 10 -3.578 15.121 9.827 1.00 61.31 N ATOM 153 NH2 ARG A 10 -1.290 15.101 9.709 1.00 14.04 N ATOM 0 H ARG A 10 -1.797 10.900 13.827 1.00 32.34 H new ATOM 0 HA ARG A 10 -3.012 8.799 12.331 1.00 61.22 H new ATOM 0 HB2 ARG A 10 -1.338 11.159 11.420 1.00 54.34 H new ATOM 0 HB3 ARG A 10 -2.124 10.034 10.329 1.00 54.34 H new ATOM 0 HG2 ARG A 10 -4.339 10.629 11.421 1.00 60.22 H new ATOM 0 HG3 ARG A 10 -3.499 11.858 12.347 1.00 60.22 H new ATOM 0 HD2 ARG A 10 -3.832 11.729 9.327 1.00 32.13 H new ATOM 0 HD3 ARG A 10 -4.499 12.926 10.420 1.00 32.13 H new ATOM 0 HE ARG A 10 -1.527 12.656 10.085 1.00 31.43 H new ATOM 0 HH11 ARG A 10 -4.464 14.631 9.950 1.00 61.31 H new ATOM 0 HH12 ARG A 10 -3.570 16.130 9.676 1.00 61.31 H new ATOM 0 HH21 ARG A 10 -0.405 14.595 9.741 1.00 14.04 H new ATOM 0 HH22 ARG A 10 -1.296 16.110 9.559 1.00 14.04 H new ATOM 167 N TRP A 11 0.267 8.683 12.691 1.00 42.03 N ATOM 168 CA TRP A 11 1.399 7.719 12.597 1.00 41.23 C ATOM 169 C TRP A 11 1.031 6.394 13.286 1.00 74.41 C ATOM 170 O TRP A 11 1.394 5.312 12.801 1.00 73.04 O ATOM 171 CB TRP A 11 2.720 8.283 13.191 1.00 63.34 C ATOM 172 CG TRP A 11 3.474 9.208 12.259 1.00 32.23 C ATOM 173 CD1 TRP A 11 3.710 10.536 12.430 1.00 52.00 C ATOM 174 CD2 TRP A 11 4.091 8.859 11.006 1.00 44.14 C ATOM 175 NE1 TRP A 11 4.429 11.031 11.379 1.00 2.51 N ATOM 176 CE2 TRP A 11 4.680 10.028 10.495 1.00 75.13 C ATOM 177 CE3 TRP A 11 4.218 7.672 10.275 1.00 63.21 C ATOM 178 CZ2 TRP A 11 5.388 10.052 9.303 1.00 13.31 C ATOM 179 CZ3 TRP A 11 4.899 7.701 9.073 1.00 60.34 C ATOM 180 CH2 TRP A 11 5.480 8.888 8.603 1.00 72.50 C ATOM 0 H TRP A 11 0.472 9.520 13.236 1.00 42.03 H new ATOM 0 HA TRP A 11 1.576 7.543 11.536 1.00 41.23 H new ATOM 0 HB2 TRP A 11 2.491 8.820 14.111 1.00 63.34 H new ATOM 0 HB3 TRP A 11 3.369 7.450 13.461 1.00 63.34 H new ATOM 0 HD1 TRP A 11 3.376 11.117 13.277 1.00 52.00 H new ATOM 0 HE1 TRP A 11 4.730 12.000 11.274 1.00 2.51 H new ATOM 0 HE3 TRP A 11 3.792 6.751 10.644 1.00 63.21 H new ATOM 0 HZ2 TRP A 11 5.849 10.960 8.943 1.00 13.31 H new ATOM 0 HZ3 TRP A 11 4.985 6.798 8.488 1.00 60.34 H new ATOM 0 HH2 TRP A 11 6.013 8.878 7.664 1.00 72.50 H new ATOM 191 N GLN A 12 0.304 6.500 14.420 1.00 52.15 N ATOM 192 CA GLN A 12 -0.238 5.337 15.140 1.00 75.53 C ATOM 193 C GLN A 12 -1.246 4.585 14.251 1.00 65.41 C ATOM 194 O GLN A 12 -1.237 3.351 14.224 1.00 34.31 O ATOM 195 CB GLN A 12 -0.900 5.777 16.477 1.00 74.40 C ATOM 196 CG GLN A 12 -1.413 4.613 17.350 1.00 35.44 C ATOM 197 CD GLN A 12 -2.035 5.062 18.672 1.00 32.34 C ATOM 198 OE1 GLN A 12 -2.599 6.153 18.781 1.00 70.34 O ATOM 199 NE2 GLN A 12 -1.948 4.219 19.683 1.00 11.14 N ATOM 0 H GLN A 12 0.079 7.394 14.857 1.00 52.15 H new ATOM 0 HA GLN A 12 0.584 4.662 15.379 1.00 75.53 H new ATOM 0 HB2 GLN A 12 -0.177 6.355 17.053 1.00 74.40 H new ATOM 0 HB3 GLN A 12 -1.734 6.442 16.253 1.00 74.40 H new ATOM 0 HG2 GLN A 12 -2.153 4.046 16.785 1.00 35.44 H new ATOM 0 HG3 GLN A 12 -0.585 3.936 17.560 1.00 35.44 H new ATOM 0 HE21 GLN A 12 -1.475 3.324 19.561 1.00 11.14 H new ATOM 0 HE22 GLN A 12 -2.354 4.463 20.586 1.00 11.14 H new ATOM 208 N ARG A 13 -2.085 5.347 13.495 1.00 63.12 N ATOM 209 CA ARG A 13 -3.038 4.765 12.532 1.00 12.44 C ATOM 210 C ARG A 13 -2.256 3.991 11.456 1.00 64.41 C ATOM 211 O ARG A 13 -2.506 2.825 11.259 1.00 32.52 O ATOM 212 CB ARG A 13 -3.934 5.837 11.839 1.00 32.22 C ATOM 213 CG ARG A 13 -4.678 6.824 12.769 1.00 34.22 C ATOM 214 CD ARG A 13 -5.590 6.164 13.813 1.00 72.40 C ATOM 215 NE ARG A 13 -6.281 7.176 14.633 1.00 31.15 N ATOM 216 CZ ARG A 13 -7.071 6.915 15.689 1.00 11.54 C ATOM 217 NH1 ARG A 13 -7.295 5.663 16.093 1.00 51.21 N ATOM 218 NH2 ARG A 13 -7.647 7.917 16.331 1.00 33.43 N ATOM 0 H ARG A 13 -2.113 6.366 13.541 1.00 63.12 H new ATOM 0 HA ARG A 13 -3.700 4.104 13.092 1.00 12.44 H new ATOM 0 HB2 ARG A 13 -3.309 6.415 11.159 1.00 32.22 H new ATOM 0 HB3 ARG A 13 -4.675 5.319 11.229 1.00 32.22 H new ATOM 0 HG2 ARG A 13 -3.941 7.438 13.287 1.00 34.22 H new ATOM 0 HG3 ARG A 13 -5.278 7.496 12.156 1.00 34.22 H new ATOM 0 HD2 ARG A 13 -6.325 5.535 13.312 1.00 72.40 H new ATOM 0 HD3 ARG A 13 -4.999 5.513 14.457 1.00 72.40 H new ATOM 0 HE ARG A 13 -6.149 8.155 14.378 1.00 31.15 H new ATOM 0 HH11 ARG A 13 -6.863 4.882 15.598 1.00 51.21 H new ATOM 0 HH12 ARG A 13 -7.898 5.487 16.897 1.00 51.21 H new ATOM 0 HH21 ARG A 13 -7.490 8.877 16.024 1.00 33.43 H new ATOM 0 HH22 ARG A 13 -8.248 7.730 17.133 1.00 33.43 H new ATOM 232 N ILE A 14 -1.259 4.664 10.832 1.00 74.15 N ATOM 233 CA ILE A 14 -0.422 4.112 9.734 1.00 53.43 C ATOM 234 C ILE A 14 0.206 2.752 10.128 1.00 74.13 C ATOM 235 O ILE A 14 0.198 1.807 9.339 1.00 62.41 O ATOM 236 CB ILE A 14 0.717 5.148 9.336 1.00 71.13 C ATOM 237 CG1 ILE A 14 0.109 6.458 8.753 1.00 21.41 C ATOM 238 CG2 ILE A 14 1.739 4.555 8.345 1.00 35.50 C ATOM 239 CD1 ILE A 14 1.099 7.601 8.569 1.00 34.22 C ATOM 0 H ILE A 14 -1.008 5.621 11.080 1.00 74.15 H new ATOM 0 HA ILE A 14 -1.070 3.944 8.873 1.00 53.43 H new ATOM 0 HB ILE A 14 1.250 5.382 10.257 1.00 71.13 H new ATOM 0 HG12 ILE A 14 -0.345 6.232 7.788 1.00 21.41 H new ATOM 0 HG13 ILE A 14 -0.692 6.794 9.412 1.00 21.41 H new ATOM 0 HG21 ILE A 14 2.493 5.305 8.108 1.00 35.50 H new ATOM 0 HG22 ILE A 14 2.220 3.686 8.795 1.00 35.50 H new ATOM 0 HG23 ILE A 14 1.227 4.254 7.431 1.00 35.50 H new ATOM 0 HD11 ILE A 14 0.581 8.468 8.159 1.00 34.22 H new ATOM 0 HD12 ILE A 14 1.536 7.862 9.533 1.00 34.22 H new ATOM 0 HD13 ILE A 14 1.888 7.292 7.884 1.00 34.22 H new ATOM 251 N ALA A 15 0.693 2.669 11.379 1.00 33.14 N ATOM 252 CA ALA A 15 1.361 1.473 11.920 1.00 50.21 C ATOM 253 C ALA A 15 0.379 0.305 12.134 1.00 21.52 C ATOM 254 O ALA A 15 0.662 -0.837 11.757 1.00 31.21 O ATOM 255 CB ALA A 15 2.046 1.822 13.240 1.00 51.21 C ATOM 0 H ALA A 15 0.633 3.437 12.048 1.00 33.14 H new ATOM 0 HA ALA A 15 2.100 1.148 11.188 1.00 50.21 H new ATOM 0 HB1 ALA A 15 2.540 0.936 13.639 1.00 51.21 H new ATOM 0 HB2 ALA A 15 2.786 2.604 13.070 1.00 51.21 H new ATOM 0 HB3 ALA A 15 1.302 2.175 13.954 1.00 51.21 H new ATOM 261 N LEU A 16 -0.779 0.611 12.752 1.00 53.13 N ATOM 262 CA LEU A 16 -1.802 -0.398 13.095 1.00 44.52 C ATOM 263 C LEU A 16 -2.569 -0.860 11.846 1.00 41.53 C ATOM 264 O LEU A 16 -2.983 -2.017 11.758 1.00 1.32 O ATOM 265 CB LEU A 16 -2.768 0.171 14.172 1.00 44.23 C ATOM 266 CG LEU A 16 -2.101 0.516 15.541 1.00 33.32 C ATOM 267 CD1 LEU A 16 -3.116 1.140 16.518 1.00 51.42 C ATOM 268 CD2 LEU A 16 -1.413 -0.725 16.150 1.00 2.22 C ATOM 0 H LEU A 16 -1.031 1.560 13.027 1.00 53.13 H new ATOM 0 HA LEU A 16 -1.301 -1.274 13.507 1.00 44.52 H new ATOM 0 HB2 LEU A 16 -3.238 1.071 13.777 1.00 44.23 H new ATOM 0 HB3 LEU A 16 -3.563 -0.554 14.345 1.00 44.23 H new ATOM 0 HG LEU A 16 -1.329 1.263 15.358 1.00 33.32 H new ATOM 0 HD11 LEU A 16 -2.620 1.368 17.461 1.00 51.42 H new ATOM 0 HD12 LEU A 16 -3.518 2.057 16.088 1.00 51.42 H new ATOM 0 HD13 LEU A 16 -3.929 0.436 16.697 1.00 51.42 H new ATOM 0 HD21 LEU A 16 -0.957 -0.457 17.103 1.00 2.22 H new ATOM 0 HD22 LEU A 16 -2.153 -1.509 16.310 1.00 2.22 H new ATOM 0 HD23 LEU A 16 -0.643 -1.086 15.468 1.00 2.22 H new ATOM 280 N LEU A 17 -2.720 0.054 10.874 1.00 41.43 N ATOM 281 CA LEU A 17 -3.396 -0.230 9.604 1.00 24.35 C ATOM 282 C LEU A 17 -2.512 -1.132 8.753 1.00 71.22 C ATOM 283 O LEU A 17 -2.974 -2.179 8.335 1.00 62.32 O ATOM 284 CB LEU A 17 -3.779 1.072 8.841 1.00 22.11 C ATOM 285 CG LEU A 17 -4.875 1.947 9.526 1.00 63.42 C ATOM 286 CD1 LEU A 17 -5.109 3.268 8.770 1.00 23.13 C ATOM 287 CD2 LEU A 17 -6.183 1.155 9.721 1.00 14.45 C ATOM 0 H LEU A 17 -2.375 1.011 10.950 1.00 41.43 H new ATOM 0 HA LEU A 17 -4.332 -0.745 9.819 1.00 24.35 H new ATOM 0 HB2 LEU A 17 -2.881 1.677 8.714 1.00 22.11 H new ATOM 0 HB3 LEU A 17 -4.125 0.801 7.843 1.00 22.11 H new ATOM 0 HG LEU A 17 -4.507 2.214 10.517 1.00 63.42 H new ATOM 0 HD11 LEU A 17 -5.879 3.847 9.279 1.00 23.13 H new ATOM 0 HD12 LEU A 17 -4.182 3.841 8.743 1.00 23.13 H new ATOM 0 HD13 LEU A 17 -5.432 3.052 7.752 1.00 23.13 H new ATOM 0 HD21 LEU A 17 -6.926 1.792 10.200 1.00 14.45 H new ATOM 0 HD22 LEU A 17 -6.558 0.827 8.751 1.00 14.45 H new ATOM 0 HD23 LEU A 17 -5.991 0.285 10.349 1.00 14.45 H new ATOM 299 N SER A 18 -1.219 -0.740 8.577 1.00 62.31 N ATOM 300 CA SER A 18 -0.233 -1.512 7.784 1.00 62.43 C ATOM 301 C SER A 18 -0.122 -2.954 8.295 1.00 71.12 C ATOM 302 O SER A 18 -0.109 -3.887 7.499 1.00 50.42 O ATOM 303 CB SER A 18 1.163 -0.853 7.822 1.00 55.01 C ATOM 304 OG SER A 18 1.642 -0.705 9.146 1.00 73.55 O ATOM 0 H SER A 18 -0.838 0.116 8.980 1.00 62.31 H new ATOM 0 HA SER A 18 -0.592 -1.521 6.755 1.00 62.43 H new ATOM 0 HB2 SER A 18 1.865 -1.457 7.248 1.00 55.01 H new ATOM 0 HB3 SER A 18 1.116 0.124 7.342 1.00 55.01 H new ATOM 0 HG SER A 18 1.249 0.097 9.548 1.00 73.55 H new ATOM 310 N GLN A 19 -0.053 -3.097 9.634 1.00 55.02 N ATOM 311 CA GLN A 19 0.030 -4.398 10.317 1.00 44.11 C ATOM 312 C GLN A 19 -1.216 -5.264 10.019 1.00 5.34 C ATOM 313 O GLN A 19 -1.083 -6.427 9.615 1.00 54.41 O ATOM 314 CB GLN A 19 0.194 -4.170 11.843 1.00 45.31 C ATOM 315 CG GLN A 19 0.480 -5.439 12.658 1.00 24.34 C ATOM 316 CD GLN A 19 0.711 -5.142 14.142 1.00 65.31 C ATOM 317 OE1 GLN A 19 1.829 -4.851 14.559 1.00 60.52 O ATOM 318 NE2 GLN A 19 -0.331 -5.227 14.948 1.00 2.24 N ATOM 0 H GLN A 19 -0.054 -2.304 10.275 1.00 55.02 H new ATOM 0 HA GLN A 19 0.899 -4.939 9.942 1.00 44.11 H new ATOM 0 HB2 GLN A 19 1.006 -3.461 12.005 1.00 45.31 H new ATOM 0 HB3 GLN A 19 -0.715 -3.706 12.226 1.00 45.31 H new ATOM 0 HG2 GLN A 19 -0.357 -6.130 12.555 1.00 24.34 H new ATOM 0 HG3 GLN A 19 1.358 -5.939 12.250 1.00 24.34 H new ATOM 0 HE21 GLN A 19 -1.248 -5.471 14.573 1.00 2.24 H new ATOM 0 HE22 GLN A 19 -0.220 -5.049 15.946 1.00 2.24 H new ATOM 327 N SER A 20 -2.416 -4.657 10.168 1.00 63.21 N ATOM 328 CA SER A 20 -3.707 -5.351 9.968 1.00 35.43 C ATOM 329 C SER A 20 -3.899 -5.790 8.503 1.00 64.44 C ATOM 330 O SER A 20 -4.143 -6.970 8.235 1.00 20.45 O ATOM 331 CB SER A 20 -4.889 -4.466 10.433 1.00 31.50 C ATOM 332 OG SER A 20 -4.831 -4.253 11.832 1.00 44.04 O ATOM 0 H SER A 20 -2.515 -3.676 10.429 1.00 63.21 H new ATOM 0 HA SER A 20 -3.689 -6.252 10.581 1.00 35.43 H new ATOM 0 HB2 SER A 20 -4.861 -3.509 9.912 1.00 31.50 H new ATOM 0 HB3 SER A 20 -5.833 -4.944 10.171 1.00 31.50 H new ATOM 0 HG SER A 20 -4.228 -3.504 12.024 1.00 44.04 H new ATOM 338 N LEU A 21 -3.755 -4.838 7.558 1.00 32.24 N ATOM 339 CA LEU A 21 -3.963 -5.096 6.123 1.00 14.24 C ATOM 340 C LEU A 21 -2.857 -5.989 5.545 1.00 31.51 C ATOM 341 O LEU A 21 -3.052 -6.606 4.498 1.00 44.52 O ATOM 342 CB LEU A 21 -4.154 -3.773 5.316 1.00 72.35 C ATOM 343 CG LEU A 21 -2.988 -2.714 5.317 1.00 52.02 C ATOM 344 CD1 LEU A 21 -1.819 -3.095 4.404 1.00 3.35 C ATOM 345 CD2 LEU A 21 -3.503 -1.303 4.971 1.00 2.21 C ATOM 0 H LEU A 21 -3.493 -3.875 7.769 1.00 32.24 H new ATOM 0 HA LEU A 21 -4.895 -5.651 6.021 1.00 14.24 H new ATOM 0 HB2 LEU A 21 -4.354 -4.044 4.279 1.00 72.35 H new ATOM 0 HB3 LEU A 21 -5.049 -3.280 5.695 1.00 72.35 H new ATOM 0 HG LEU A 21 -2.602 -2.707 6.336 1.00 52.02 H new ATOM 0 HD11 LEU A 21 -1.052 -2.322 4.453 1.00 3.35 H new ATOM 0 HD12 LEU A 21 -1.397 -4.046 4.730 1.00 3.35 H new ATOM 0 HD13 LEU A 21 -2.174 -3.189 3.378 1.00 3.35 H new ATOM 0 HD21 LEU A 21 -2.671 -0.599 4.981 1.00 2.21 H new ATOM 0 HD22 LEU A 21 -3.957 -1.314 3.980 1.00 2.21 H new ATOM 0 HD23 LEU A 21 -4.246 -0.996 5.707 1.00 2.21 H new ATOM 357 N LEU A 22 -1.692 -6.040 6.231 1.00 62.34 N ATOM 358 CA LEU A 22 -0.620 -6.987 5.903 1.00 44.14 C ATOM 359 C LEU A 22 -1.126 -8.416 6.137 1.00 21.11 C ATOM 360 O LEU A 22 -1.027 -9.254 5.252 1.00 11.10 O ATOM 361 CB LEU A 22 0.643 -6.754 6.765 1.00 20.31 C ATOM 362 CG LEU A 22 1.801 -7.762 6.524 1.00 70.32 C ATOM 363 CD1 LEU A 22 2.351 -7.653 5.092 1.00 52.11 C ATOM 364 CD2 LEU A 22 2.903 -7.603 7.578 1.00 71.24 C ATOM 0 H LEU A 22 -1.477 -5.429 7.019 1.00 62.34 H new ATOM 0 HA LEU A 22 -0.347 -6.835 4.859 1.00 44.14 H new ATOM 0 HB2 LEU A 22 1.013 -5.747 6.574 1.00 20.31 H new ATOM 0 HB3 LEU A 22 0.359 -6.795 7.817 1.00 20.31 H new ATOM 0 HG LEU A 22 1.396 -8.768 6.632 1.00 70.32 H new ATOM 0 HD11 LEU A 22 3.159 -8.372 4.957 1.00 52.11 H new ATOM 0 HD12 LEU A 22 1.554 -7.865 4.379 1.00 52.11 H new ATOM 0 HD13 LEU A 22 2.730 -6.645 4.923 1.00 52.11 H new ATOM 0 HD21 LEU A 22 3.699 -8.321 7.383 1.00 71.24 H new ATOM 0 HD22 LEU A 22 3.307 -6.592 7.532 1.00 71.24 H new ATOM 0 HD23 LEU A 22 2.487 -7.782 8.569 1.00 71.24 H new ATOM 376 N GLU A 23 -1.673 -8.655 7.360 1.00 21.44 N ATOM 377 CA GLU A 23 -2.278 -9.953 7.766 1.00 75.41 C ATOM 378 C GLU A 23 -3.371 -10.380 6.770 1.00 32.25 C ATOM 379 O GLU A 23 -3.494 -11.561 6.434 1.00 1.50 O ATOM 380 CB GLU A 23 -2.857 -9.843 9.210 1.00 40.13 C ATOM 381 CG GLU A 23 -1.801 -9.490 10.273 1.00 55.21 C ATOM 382 CD GLU A 23 -2.406 -9.236 11.660 1.00 54.14 C ATOM 383 OE1 GLU A 23 -2.452 -10.173 12.490 1.00 33.30 O ATOM 384 OE2 GLU A 23 -2.855 -8.100 11.919 1.00 62.11 O ATOM 0 H GLU A 23 -1.706 -7.949 8.095 1.00 21.44 H new ATOM 0 HA GLU A 23 -1.502 -10.718 7.759 1.00 75.41 H new ATOM 0 HB2 GLU A 23 -3.640 -9.084 9.222 1.00 40.13 H new ATOM 0 HB3 GLU A 23 -3.327 -10.790 9.477 1.00 40.13 H new ATOM 0 HG2 GLU A 23 -1.078 -10.302 10.342 1.00 55.21 H new ATOM 0 HG3 GLU A 23 -1.255 -8.603 9.953 1.00 55.21 H new ATOM 391 N LEU A 24 -4.130 -9.377 6.287 1.00 4.41 N ATOM 392 CA LEU A 24 -5.200 -9.556 5.289 1.00 5.43 C ATOM 393 C LEU A 24 -4.619 -9.948 3.911 1.00 10.02 C ATOM 394 O LEU A 24 -5.113 -10.876 3.283 1.00 64.13 O ATOM 395 CB LEU A 24 -6.057 -8.261 5.197 1.00 55.01 C ATOM 396 CG LEU A 24 -6.743 -7.830 6.533 1.00 54.52 C ATOM 397 CD1 LEU A 24 -7.387 -6.436 6.423 1.00 31.33 C ATOM 398 CD2 LEU A 24 -7.754 -8.892 7.010 1.00 72.35 C ATOM 0 H LEU A 24 -4.015 -8.408 6.583 1.00 4.41 H new ATOM 0 HA LEU A 24 -5.844 -10.375 5.609 1.00 5.43 H new ATOM 0 HB2 LEU A 24 -5.421 -7.446 4.853 1.00 55.01 H new ATOM 0 HB3 LEU A 24 -6.828 -8.406 4.440 1.00 55.01 H new ATOM 0 HG LEU A 24 -5.963 -7.757 7.291 1.00 54.52 H new ATOM 0 HD11 LEU A 24 -7.853 -6.174 7.373 1.00 31.33 H new ATOM 0 HD12 LEU A 24 -6.621 -5.700 6.179 1.00 31.33 H new ATOM 0 HD13 LEU A 24 -8.144 -6.446 5.638 1.00 31.33 H new ATOM 0 HD21 LEU A 24 -8.215 -8.563 7.942 1.00 72.35 H new ATOM 0 HD22 LEU A 24 -8.525 -9.027 6.252 1.00 72.35 H new ATOM 0 HD23 LEU A 24 -7.238 -9.838 7.174 1.00 72.35 H new ATOM 410 N ALA A 25 -3.539 -9.265 3.484 1.00 64.33 N ATOM 411 CA ALA A 25 -2.874 -9.522 2.179 1.00 21.45 C ATOM 412 C ALA A 25 -2.228 -10.921 2.144 1.00 63.34 C ATOM 413 O ALA A 25 -2.271 -11.613 1.119 1.00 32.54 O ATOM 414 CB ALA A 25 -1.823 -8.437 1.895 1.00 43.23 C ATOM 0 H ALA A 25 -3.100 -8.521 4.027 1.00 64.33 H new ATOM 0 HA ALA A 25 -3.636 -9.488 1.400 1.00 21.45 H new ATOM 0 HB1 ALA A 25 -1.344 -8.637 0.937 1.00 43.23 H new ATOM 0 HB2 ALA A 25 -2.307 -7.461 1.862 1.00 43.23 H new ATOM 0 HB3 ALA A 25 -1.072 -8.443 2.685 1.00 43.23 H new ATOM 420 N GLN A 26 -1.644 -11.322 3.288 1.00 0.43 N ATOM 421 CA GLN A 26 -1.027 -12.652 3.468 1.00 34.33 C ATOM 422 C GLN A 26 -2.102 -13.749 3.476 1.00 11.11 C ATOM 423 O GLN A 26 -1.862 -14.868 3.024 1.00 35.11 O ATOM 424 CB GLN A 26 -0.208 -12.690 4.785 1.00 42.11 C ATOM 425 CG GLN A 26 0.920 -11.645 4.856 1.00 13.01 C ATOM 426 CD GLN A 26 1.657 -11.670 6.196 1.00 3.52 C ATOM 427 OE1 GLN A 26 1.144 -10.953 7.182 1.00 23.31 O flip ATOM 428 NE2 GLN A 26 2.660 -12.357 6.351 1.00 3.44 N flip ATOM 0 H GLN A 26 -1.586 -10.731 4.118 1.00 0.43 H new ATOM 0 HA GLN A 26 -0.353 -12.837 2.631 1.00 34.33 H new ATOM 0 HB2 GLN A 26 -0.885 -12.535 5.625 1.00 42.11 H new ATOM 0 HB3 GLN A 26 0.224 -13.684 4.902 1.00 42.11 H new ATOM 0 HG2 GLN A 26 1.631 -11.827 4.050 1.00 13.01 H new ATOM 0 HG3 GLN A 26 0.502 -10.652 4.693 1.00 13.01 H new ATOM 0 HE21 GLN A 26 3.032 -12.899 5.571 1.00 3.44 H new ATOM 0 HE22 GLN A 26 3.123 -12.387 7.260 1.00 3.44 H new ATOM 437 N ARG A 27 -3.285 -13.397 4.005 1.00 31.54 N ATOM 438 CA ARG A 27 -4.472 -14.276 4.026 1.00 12.33 C ATOM 439 C ARG A 27 -5.178 -14.313 2.650 1.00 31.41 C ATOM 440 O ARG A 27 -6.016 -15.191 2.411 1.00 63.30 O ATOM 441 CB ARG A 27 -5.463 -13.822 5.161 1.00 62.03 C ATOM 442 CG ARG A 27 -5.626 -14.825 6.322 1.00 2.33 C ATOM 443 CD ARG A 27 -6.216 -16.171 5.856 1.00 55.42 C ATOM 444 NE ARG A 27 -7.502 -16.014 5.139 1.00 54.31 N ATOM 445 CZ ARG A 27 -8.443 -16.971 5.015 1.00 42.54 C ATOM 446 NH1 ARG A 27 -8.278 -18.180 5.556 1.00 63.44 N ATOM 447 NH2 ARG A 27 -9.562 -16.708 4.352 1.00 44.11 N ATOM 0 H ARG A 27 -3.449 -12.487 4.435 1.00 31.54 H new ATOM 0 HA ARG A 27 -4.138 -15.291 4.241 1.00 12.33 H new ATOM 0 HB2 ARG A 27 -5.116 -12.872 5.567 1.00 62.03 H new ATOM 0 HB3 ARG A 27 -6.442 -13.640 4.717 1.00 62.03 H new ATOM 0 HG2 ARG A 27 -4.656 -14.998 6.788 1.00 2.33 H new ATOM 0 HG3 ARG A 27 -6.273 -14.392 7.085 1.00 2.33 H new ATOM 0 HD2 ARG A 27 -5.500 -16.671 5.204 1.00 55.42 H new ATOM 0 HD3 ARG A 27 -6.364 -16.817 6.721 1.00 55.42 H new ATOM 0 HE ARG A 27 -7.691 -15.111 4.705 1.00 54.31 H new ATOM 0 HH11 ARG A 27 -7.427 -18.394 6.076 1.00 63.44 H new ATOM 0 HH12 ARG A 27 -9.003 -18.889 5.450 1.00 63.44 H new ATOM 0 HH21 ARG A 27 -9.706 -15.786 3.940 1.00 44.11 H new ATOM 0 HH22 ARG A 27 -10.278 -17.428 4.254 1.00 44.11 H new ATOM 461 N GLY A 28 -4.830 -13.367 1.760 1.00 31.43 N ATOM 462 CA GLY A 28 -5.448 -13.269 0.433 1.00 54.44 C ATOM 463 C GLY A 28 -6.779 -12.530 0.443 1.00 42.42 C ATOM 464 O GLY A 28 -7.533 -12.580 -0.536 1.00 30.11 O ATOM 0 H GLY A 28 -4.120 -12.658 1.941 1.00 31.43 H new ATOM 0 HA2 GLY A 28 -4.762 -12.759 -0.243 1.00 54.44 H new ATOM 0 HA3 GLY A 28 -5.600 -14.272 0.035 1.00 54.44 H new ATOM 468 N GLU A 29 -7.061 -11.857 1.565 1.00 40.41 N ATOM 469 CA GLU A 29 -8.247 -11.014 1.738 1.00 42.45 C ATOM 470 C GLU A 29 -8.034 -9.677 1.022 1.00 60.25 C ATOM 471 O GLU A 29 -7.551 -8.714 1.625 1.00 11.21 O ATOM 472 CB GLU A 29 -8.536 -10.779 3.247 1.00 11.43 C ATOM 473 CG GLU A 29 -8.589 -12.051 4.105 1.00 53.33 C ATOM 474 CD GLU A 29 -9.537 -13.119 3.542 1.00 74.22 C ATOM 475 OE1 GLU A 29 -10.772 -12.899 3.564 1.00 70.41 O ATOM 476 OE2 GLU A 29 -9.056 -14.173 3.077 1.00 53.43 O ATOM 0 H GLU A 29 -6.462 -11.884 2.390 1.00 40.41 H new ATOM 0 HA GLU A 29 -9.108 -11.521 1.303 1.00 42.45 H new ATOM 0 HB2 GLU A 29 -7.768 -10.119 3.650 1.00 11.43 H new ATOM 0 HB3 GLU A 29 -9.487 -10.255 3.342 1.00 11.43 H new ATOM 0 HG2 GLU A 29 -7.586 -12.470 4.185 1.00 53.33 H new ATOM 0 HG3 GLU A 29 -8.906 -11.788 5.114 1.00 53.33 H new ATOM 483 N TRP A 30 -8.365 -9.641 -0.279 1.00 65.51 N ATOM 484 CA TRP A 30 -8.135 -8.456 -1.129 1.00 43.20 C ATOM 485 C TRP A 30 -9.169 -7.370 -0.842 1.00 63.34 C ATOM 486 O TRP A 30 -8.848 -6.193 -0.872 1.00 62.41 O ATOM 487 CB TRP A 30 -8.138 -8.837 -2.633 1.00 15.50 C ATOM 488 CG TRP A 30 -7.221 -9.995 -2.962 1.00 75.52 C ATOM 489 CD1 TRP A 30 -7.538 -11.120 -3.679 1.00 74.22 C ATOM 490 CD2 TRP A 30 -5.847 -10.159 -2.550 1.00 2.22 C ATOM 491 NE1 TRP A 30 -6.456 -11.955 -3.740 1.00 32.01 N ATOM 492 CE2 TRP A 30 -5.412 -11.393 -3.057 1.00 73.51 C ATOM 493 CE3 TRP A 30 -4.943 -9.382 -1.801 1.00 1.11 C ATOM 494 CZ2 TRP A 30 -4.128 -11.867 -2.844 1.00 72.31 C ATOM 495 CZ3 TRP A 30 -3.669 -9.857 -1.591 1.00 71.02 C ATOM 496 CH2 TRP A 30 -3.274 -11.089 -2.108 1.00 1.10 C ATOM 0 H TRP A 30 -8.796 -10.424 -0.770 1.00 65.51 H new ATOM 0 HA TRP A 30 -7.150 -8.058 -0.886 1.00 43.20 H new ATOM 0 HB2 TRP A 30 -9.154 -9.091 -2.934 1.00 15.50 H new ATOM 0 HB3 TRP A 30 -7.840 -7.969 -3.221 1.00 15.50 H new ATOM 0 HD1 TRP A 30 -8.500 -11.318 -4.129 1.00 74.22 H new ATOM 0 HE1 TRP A 30 -6.431 -12.855 -4.219 1.00 32.01 H new ATOM 0 HE3 TRP A 30 -5.245 -8.427 -1.397 1.00 1.11 H new ATOM 0 HZ2 TRP A 30 -3.811 -12.818 -3.245 1.00 72.31 H new ATOM 0 HZ3 TRP A 30 -2.967 -9.268 -1.019 1.00 71.02 H new ATOM 0 HH2 TRP A 30 -2.269 -11.439 -1.924 1.00 1.10 H new ATOM 507 N ASP A 31 -10.402 -7.795 -0.541 1.00 43.22 N ATOM 508 CA ASP A 31 -11.530 -6.889 -0.235 1.00 53.34 C ATOM 509 C ASP A 31 -11.238 -6.108 1.057 1.00 74.44 C ATOM 510 O ASP A 31 -11.390 -4.883 1.113 1.00 61.43 O ATOM 511 CB ASP A 31 -12.845 -7.701 -0.083 1.00 21.05 C ATOM 512 CG ASP A 31 -13.158 -8.570 -1.307 1.00 24.10 C ATOM 513 OD1 ASP A 31 -12.550 -9.657 -1.442 1.00 12.31 O ATOM 514 OD2 ASP A 31 -13.989 -8.171 -2.155 1.00 11.30 O ATOM 0 H ASP A 31 -10.653 -8.783 -0.501 1.00 43.22 H new ATOM 0 HA ASP A 31 -11.649 -6.183 -1.057 1.00 53.34 H new ATOM 0 HB2 ASP A 31 -12.772 -8.338 0.799 1.00 21.05 H new ATOM 0 HB3 ASP A 31 -13.673 -7.013 0.088 1.00 21.05 H new ATOM 519 N LEU A 32 -10.784 -6.854 2.078 1.00 24.25 N ATOM 520 CA LEU A 32 -10.410 -6.303 3.391 1.00 32.25 C ATOM 521 C LEU A 32 -9.124 -5.441 3.289 1.00 70.35 C ATOM 522 O LEU A 32 -9.005 -4.418 3.975 1.00 4.21 O ATOM 523 CB LEU A 32 -10.235 -7.466 4.407 1.00 52.32 C ATOM 524 CG LEU A 32 -11.536 -8.257 4.766 1.00 12.32 C ATOM 525 CD1 LEU A 32 -11.222 -9.517 5.603 1.00 22.01 C ATOM 526 CD2 LEU A 32 -12.558 -7.353 5.488 1.00 23.44 C ATOM 0 H LEU A 32 -10.665 -7.865 2.014 1.00 24.25 H new ATOM 0 HA LEU A 32 -11.206 -5.647 3.743 1.00 32.25 H new ATOM 0 HB2 LEU A 32 -9.505 -8.168 4.005 1.00 52.32 H new ATOM 0 HB3 LEU A 32 -9.814 -7.060 5.327 1.00 52.32 H new ATOM 0 HG LEU A 32 -11.984 -8.588 3.829 1.00 12.32 H new ATOM 0 HD11 LEU A 32 -12.150 -10.041 5.834 1.00 22.01 H new ATOM 0 HD12 LEU A 32 -10.564 -10.176 5.036 1.00 22.01 H new ATOM 0 HD13 LEU A 32 -10.730 -9.224 6.531 1.00 22.01 H new ATOM 0 HD21 LEU A 32 -13.451 -7.931 5.725 1.00 23.44 H new ATOM 0 HD22 LEU A 32 -12.119 -6.971 6.409 1.00 23.44 H new ATOM 0 HD23 LEU A 32 -12.827 -6.518 4.841 1.00 23.44 H new ATOM 538 N LEU A 33 -8.186 -5.863 2.409 1.00 41.21 N ATOM 539 CA LEU A 33 -6.941 -5.114 2.109 1.00 62.22 C ATOM 540 C LEU A 33 -7.267 -3.720 1.519 1.00 51.22 C ATOM 541 O LEU A 33 -6.753 -2.702 1.992 1.00 72.41 O ATOM 542 CB LEU A 33 -6.062 -5.919 1.106 1.00 70.12 C ATOM 543 CG LEU A 33 -4.745 -5.228 0.619 1.00 42.43 C ATOM 544 CD1 LEU A 33 -3.751 -5.021 1.774 1.00 40.14 C ATOM 545 CD2 LEU A 33 -4.098 -6.007 -0.544 1.00 20.20 C ATOM 0 H LEU A 33 -8.271 -6.734 1.885 1.00 41.21 H new ATOM 0 HA LEU A 33 -6.391 -4.977 3.040 1.00 62.22 H new ATOM 0 HB2 LEU A 33 -5.797 -6.869 1.571 1.00 70.12 H new ATOM 0 HB3 LEU A 33 -6.669 -6.151 0.231 1.00 70.12 H new ATOM 0 HG LEU A 33 -5.018 -4.241 0.245 1.00 42.43 H new ATOM 0 HD11 LEU A 33 -2.849 -4.539 1.396 1.00 40.14 H new ATOM 0 HD12 LEU A 33 -4.207 -4.391 2.538 1.00 40.14 H new ATOM 0 HD13 LEU A 33 -3.491 -5.987 2.208 1.00 40.14 H new ATOM 0 HD21 LEU A 33 -3.186 -5.500 -0.858 1.00 20.20 H new ATOM 0 HD22 LEU A 33 -3.857 -7.018 -0.215 1.00 20.20 H new ATOM 0 HD23 LEU A 33 -4.794 -6.054 -1.382 1.00 20.20 H new ATOM 557 N LEU A 34 -8.154 -3.710 0.497 1.00 21.13 N ATOM 558 CA LEU A 34 -8.544 -2.491 -0.245 1.00 61.33 C ATOM 559 C LEU A 34 -9.370 -1.540 0.634 1.00 32.13 C ATOM 560 O LEU A 34 -9.320 -0.318 0.450 1.00 62.22 O ATOM 561 CB LEU A 34 -9.337 -2.876 -1.524 1.00 1.23 C ATOM 562 CG LEU A 34 -8.533 -3.658 -2.608 1.00 73.54 C ATOM 563 CD1 LEU A 34 -9.443 -4.104 -3.768 1.00 1.52 C ATOM 564 CD2 LEU A 34 -7.333 -2.841 -3.116 1.00 10.35 C ATOM 0 H LEU A 34 -8.621 -4.553 0.163 1.00 21.13 H new ATOM 0 HA LEU A 34 -7.634 -1.966 -0.535 1.00 61.33 H new ATOM 0 HB2 LEU A 34 -10.196 -3.479 -1.229 1.00 1.23 H new ATOM 0 HB3 LEU A 34 -9.728 -1.964 -1.975 1.00 1.23 H new ATOM 0 HG LEU A 34 -8.138 -4.558 -2.137 1.00 73.54 H new ATOM 0 HD11 LEU A 34 -8.852 -4.646 -4.506 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -10.229 -4.754 -3.384 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -9.892 -3.228 -4.235 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -6.795 -3.415 -3.870 1.00 10.35 H new ATOM 0 HD22 LEU A 34 -7.687 -1.908 -3.555 1.00 10.35 H new ATOM 0 HD23 LEU A 34 -6.665 -2.619 -2.284 1.00 10.35 H new ATOM 576 N GLN A 35 -10.126 -2.116 1.586 1.00 33.02 N ATOM 577 CA GLN A 35 -10.877 -1.339 2.591 1.00 53.42 C ATOM 578 C GLN A 35 -9.912 -0.451 3.401 1.00 31.35 C ATOM 579 O GLN A 35 -10.172 0.736 3.628 1.00 1.40 O ATOM 580 CB GLN A 35 -11.660 -2.286 3.550 1.00 51.23 C ATOM 581 CG GLN A 35 -12.550 -1.561 4.592 1.00 74.42 C ATOM 582 CD GLN A 35 -13.697 -0.736 3.980 1.00 10.05 C ATOM 583 OE1 GLN A 35 -14.085 0.301 4.519 1.00 21.45 O ATOM 584 NE2 GLN A 35 -14.274 -1.195 2.877 1.00 35.25 N ATOM 0 H GLN A 35 -10.234 -3.126 1.681 1.00 33.02 H new ATOM 0 HA GLN A 35 -11.595 -0.706 2.069 1.00 53.42 H new ATOM 0 HB2 GLN A 35 -12.288 -2.947 2.953 1.00 51.23 H new ATOM 0 HB3 GLN A 35 -10.946 -2.917 4.079 1.00 51.23 H new ATOM 0 HG2 GLN A 35 -12.973 -2.302 5.270 1.00 74.42 H new ATOM 0 HG3 GLN A 35 -11.923 -0.901 5.192 1.00 74.42 H new ATOM 0 HE21 GLN A 35 -13.938 -2.056 2.446 1.00 35.25 H new ATOM 0 HE22 GLN A 35 -15.054 -0.687 2.460 1.00 35.25 H new ATOM 593 N GLN A 36 -8.785 -1.054 3.808 1.00 42.34 N ATOM 594 CA GLN A 36 -7.768 -0.394 4.634 1.00 23.45 C ATOM 595 C GLN A 36 -6.715 0.349 3.787 1.00 33.35 C ATOM 596 O GLN A 36 -5.923 1.103 4.343 1.00 44.20 O ATOM 597 CB GLN A 36 -7.089 -1.438 5.561 1.00 15.34 C ATOM 598 CG GLN A 36 -8.061 -2.191 6.496 1.00 60.35 C ATOM 599 CD GLN A 36 -8.885 -1.270 7.401 1.00 50.23 C ATOM 600 OE1 GLN A 36 -8.447 -0.184 7.787 1.00 73.23 O ATOM 601 NE2 GLN A 36 -10.089 -1.699 7.759 1.00 21.53 N ATOM 0 H GLN A 36 -8.554 -2.019 3.571 1.00 42.34 H new ATOM 0 HA GLN A 36 -8.270 0.360 5.240 1.00 23.45 H new ATOM 0 HB2 GLN A 36 -6.562 -2.165 4.944 1.00 15.34 H new ATOM 0 HB3 GLN A 36 -6.339 -0.932 6.169 1.00 15.34 H new ATOM 0 HG2 GLN A 36 -8.739 -2.793 5.891 1.00 60.35 H new ATOM 0 HG3 GLN A 36 -7.491 -2.881 7.118 1.00 60.35 H new ATOM 0 HE21 GLN A 36 -10.429 -2.601 7.426 1.00 21.53 H new ATOM 0 HE22 GLN A 36 -10.675 -1.126 8.367 1.00 21.53 H new ATOM 610 N GLU A 37 -6.701 0.114 2.452 1.00 70.21 N ATOM 611 CA GLU A 37 -5.793 0.817 1.508 1.00 13.41 C ATOM 612 C GLU A 37 -5.933 2.346 1.636 1.00 74.12 C ATOM 613 O GLU A 37 -4.948 3.054 1.855 1.00 12.23 O ATOM 614 CB GLU A 37 -6.113 0.419 0.038 1.00 32.30 C ATOM 615 CG GLU A 37 -5.303 1.202 -1.036 1.00 64.21 C ATOM 616 CD GLU A 37 -5.780 1.031 -2.493 1.00 14.31 C ATOM 617 OE1 GLU A 37 -6.790 0.343 -2.741 1.00 43.02 O ATOM 618 OE2 GLU A 37 -5.162 1.642 -3.395 1.00 2.01 O ATOM 0 H GLU A 37 -7.315 -0.564 2.000 1.00 70.21 H new ATOM 0 HA GLU A 37 -4.775 0.521 1.762 1.00 13.41 H new ATOM 0 HB2 GLU A 37 -5.921 -0.647 -0.086 1.00 32.30 H new ATOM 0 HB3 GLU A 37 -7.177 0.574 -0.143 1.00 32.30 H new ATOM 0 HG2 GLU A 37 -5.334 2.262 -0.786 1.00 64.21 H new ATOM 0 HG3 GLU A 37 -4.260 0.891 -0.976 1.00 64.21 H new ATOM 625 N VAL A 38 -7.185 2.819 1.497 1.00 31.43 N ATOM 626 CA VAL A 38 -7.508 4.253 1.464 1.00 55.04 C ATOM 627 C VAL A 38 -7.141 4.955 2.784 1.00 31.23 C ATOM 628 O VAL A 38 -6.540 6.029 2.756 1.00 1.01 O ATOM 629 CB VAL A 38 -9.022 4.496 1.103 1.00 34.41 C ATOM 630 CG1 VAL A 38 -9.301 4.114 -0.366 1.00 33.32 C ATOM 631 CG2 VAL A 38 -9.977 3.738 2.059 1.00 54.41 C ATOM 0 H VAL A 38 -8.001 2.214 1.404 1.00 31.43 H new ATOM 0 HA VAL A 38 -6.899 4.695 0.676 1.00 55.04 H new ATOM 0 HB VAL A 38 -9.218 5.561 1.229 1.00 34.41 H new ATOM 0 HG11 VAL A 38 -10.352 4.290 -0.594 1.00 33.32 H new ATOM 0 HG12 VAL A 38 -8.680 4.722 -1.024 1.00 33.32 H new ATOM 0 HG13 VAL A 38 -9.068 3.060 -0.519 1.00 33.32 H new ATOM 0 HG21 VAL A 38 -11.010 3.935 1.773 1.00 54.41 H new ATOM 0 HG22 VAL A 38 -9.781 2.668 1.996 1.00 54.41 H new ATOM 0 HG23 VAL A 38 -9.813 4.078 3.082 1.00 54.41 H new ATOM 641 N SER A 39 -7.463 4.313 3.920 1.00 22.42 N ATOM 642 CA SER A 39 -7.201 4.863 5.256 1.00 51.34 C ATOM 643 C SER A 39 -5.684 4.967 5.503 1.00 43.31 C ATOM 644 O SER A 39 -5.185 6.009 5.942 1.00 54.41 O ATOM 645 CB SER A 39 -7.893 3.984 6.324 1.00 3.10 C ATOM 646 OG SER A 39 -7.530 2.617 6.187 1.00 22.12 O ATOM 0 H SER A 39 -7.913 3.398 3.935 1.00 22.42 H new ATOM 0 HA SER A 39 -7.614 5.870 5.324 1.00 51.34 H new ATOM 0 HB2 SER A 39 -7.621 4.336 7.319 1.00 3.10 H new ATOM 0 HB3 SER A 39 -8.975 4.085 6.235 1.00 3.10 H new ATOM 0 HG SER A 39 -7.850 2.114 6.965 1.00 22.12 H new ATOM 652 N TYR A 40 -4.971 3.888 5.140 1.00 22.24 N ATOM 653 CA TYR A 40 -3.520 3.748 5.313 1.00 50.25 C ATOM 654 C TYR A 40 -2.733 4.791 4.492 1.00 62.53 C ATOM 655 O TYR A 40 -2.055 5.657 5.070 1.00 33.23 O ATOM 656 CB TYR A 40 -3.126 2.310 4.899 1.00 63.21 C ATOM 657 CG TYR A 40 -1.632 2.013 4.867 1.00 51.01 C ATOM 658 CD1 TYR A 40 -0.840 2.249 5.981 1.00 64.23 C ATOM 659 CD2 TYR A 40 -1.020 1.474 3.726 1.00 12.34 C ATOM 660 CE1 TYR A 40 0.498 1.961 5.965 1.00 53.13 C ATOM 661 CE2 TYR A 40 0.325 1.185 3.710 1.00 2.24 C ATOM 662 CZ TYR A 40 1.081 1.430 4.834 1.00 41.44 C ATOM 663 OH TYR A 40 2.422 1.135 4.838 1.00 42.32 O ATOM 0 H TYR A 40 -5.401 3.070 4.708 1.00 22.24 H new ATOM 0 HA TYR A 40 -3.265 3.928 6.357 1.00 50.25 H new ATOM 0 HB2 TYR A 40 -3.601 1.611 5.588 1.00 63.21 H new ATOM 0 HB3 TYR A 40 -3.538 2.112 3.909 1.00 63.21 H new ATOM 0 HD1 TYR A 40 -1.285 2.665 6.873 1.00 64.23 H new ATOM 0 HD2 TYR A 40 -1.615 1.283 2.845 1.00 12.34 H new ATOM 0 HE1 TYR A 40 1.099 2.150 6.842 1.00 53.13 H new ATOM 0 HE2 TYR A 40 0.783 0.770 2.824 1.00 2.24 H new ATOM 0 HH TYR A 40 2.830 1.478 5.661 1.00 42.32 H new ATOM 673 N LEU A 41 -2.848 4.687 3.146 1.00 43.32 N ATOM 674 CA LEU A 41 -2.099 5.524 2.197 1.00 62.52 C ATOM 675 C LEU A 41 -2.388 7.013 2.428 1.00 40.13 C ATOM 676 O LEU A 41 -1.455 7.809 2.464 1.00 62.44 O ATOM 677 CB LEU A 41 -2.399 5.111 0.722 1.00 53.21 C ATOM 678 CG LEU A 41 -1.868 3.705 0.284 1.00 23.52 C ATOM 679 CD1 LEU A 41 -2.270 3.386 -1.171 1.00 60.13 C ATOM 680 CD2 LEU A 41 -0.334 3.597 0.475 1.00 61.04 C ATOM 0 H LEU A 41 -3.468 4.015 2.693 1.00 43.32 H new ATOM 0 HA LEU A 41 -1.036 5.361 2.375 1.00 62.52 H new ATOM 0 HB2 LEU A 41 -3.478 5.133 0.571 1.00 53.21 H new ATOM 0 HB3 LEU A 41 -1.969 5.863 0.060 1.00 53.21 H new ATOM 0 HG LEU A 41 -2.335 2.961 0.930 1.00 23.52 H new ATOM 0 HD11 LEU A 41 -1.887 2.403 -1.447 1.00 60.13 H new ATOM 0 HD12 LEU A 41 -3.357 3.390 -1.257 1.00 60.13 H new ATOM 0 HD13 LEU A 41 -1.850 4.139 -1.838 1.00 60.13 H new ATOM 0 HD21 LEU A 41 0.003 2.609 0.162 1.00 61.04 H new ATOM 0 HD22 LEU A 41 0.162 4.358 -0.128 1.00 61.04 H new ATOM 0 HD23 LEU A 41 -0.087 3.748 1.526 1.00 61.04 H new ATOM 692 N GLN A 42 -3.682 7.371 2.642 1.00 5.15 N ATOM 693 CA GLN A 42 -4.088 8.774 2.877 1.00 11.44 C ATOM 694 C GLN A 42 -3.447 9.323 4.161 1.00 34.33 C ATOM 695 O GLN A 42 -3.001 10.473 4.170 1.00 41.03 O ATOM 696 CB GLN A 42 -5.641 8.903 2.905 1.00 40.14 C ATOM 697 CG GLN A 42 -6.226 10.333 3.132 1.00 41.23 C ATOM 698 CD GLN A 42 -6.289 10.782 4.608 1.00 24.25 C ATOM 699 OE1 GLN A 42 -6.542 9.853 5.526 1.00 40.23 O flip ATOM 700 NE2 GLN A 42 -6.138 11.965 4.919 1.00 3.33 N flip ATOM 0 H GLN A 42 -4.456 6.707 2.656 1.00 5.15 H new ATOM 0 HA GLN A 42 -3.724 9.381 2.048 1.00 11.44 H new ATOM 0 HB2 GLN A 42 -6.030 8.523 1.960 1.00 40.14 H new ATOM 0 HB3 GLN A 42 -6.022 8.252 3.692 1.00 40.14 H new ATOM 0 HG2 GLN A 42 -5.622 11.049 2.575 1.00 41.23 H new ATOM 0 HG3 GLN A 42 -7.232 10.369 2.713 1.00 41.23 H new ATOM 0 HE21 GLN A 42 -5.945 12.661 4.199 1.00 3.33 H new ATOM 0 HE22 GLN A 42 -6.206 12.248 5.897 1.00 3.33 H new ATOM 709 N SER A 43 -3.400 8.501 5.238 1.00 35.32 N ATOM 710 CA SER A 43 -2.758 8.898 6.510 1.00 2.32 C ATOM 711 C SER A 43 -1.263 9.247 6.306 1.00 1.35 C ATOM 712 O SER A 43 -0.762 10.221 6.892 1.00 71.10 O ATOM 713 CB SER A 43 -2.935 7.806 7.583 1.00 14.23 C ATOM 714 OG SER A 43 -4.299 7.645 7.935 1.00 23.34 O ATOM 0 H SER A 43 -3.799 7.562 5.249 1.00 35.32 H new ATOM 0 HA SER A 43 -3.258 9.800 6.864 1.00 2.32 H new ATOM 0 HB2 SER A 43 -2.539 6.861 7.212 1.00 14.23 H new ATOM 0 HB3 SER A 43 -2.357 8.067 8.469 1.00 14.23 H new ATOM 0 HG SER A 43 -4.704 6.956 7.368 1.00 23.34 H new ATOM 720 N ILE A 44 -0.570 8.452 5.457 1.00 33.55 N ATOM 721 CA ILE A 44 0.838 8.708 5.076 1.00 53.31 C ATOM 722 C ILE A 44 0.958 10.058 4.328 1.00 5.52 C ATOM 723 O ILE A 44 1.779 10.922 4.669 1.00 73.40 O ATOM 724 CB ILE A 44 1.413 7.561 4.163 1.00 2.51 C ATOM 725 CG1 ILE A 44 1.305 6.173 4.866 1.00 62.34 C ATOM 726 CG2 ILE A 44 2.875 7.862 3.756 1.00 41.13 C ATOM 727 CD1 ILE A 44 1.754 4.990 4.019 1.00 22.21 C ATOM 0 H ILE A 44 -0.968 7.621 5.020 1.00 33.55 H new ATOM 0 HA ILE A 44 1.419 8.741 5.998 1.00 53.31 H new ATOM 0 HB ILE A 44 0.810 7.522 3.256 1.00 2.51 H new ATOM 0 HG12 ILE A 44 1.902 6.196 5.778 1.00 62.34 H new ATOM 0 HG13 ILE A 44 0.270 6.014 5.167 1.00 62.34 H new ATOM 0 HG21 ILE A 44 3.251 7.056 3.126 1.00 41.13 H new ATOM 0 HG22 ILE A 44 2.913 8.801 3.205 1.00 41.13 H new ATOM 0 HG23 ILE A 44 3.493 7.941 4.651 1.00 41.13 H new ATOM 0 HD11 ILE A 44 1.643 4.069 4.592 1.00 22.21 H new ATOM 0 HD12 ILE A 44 1.142 4.934 3.119 1.00 22.21 H new ATOM 0 HD13 ILE A 44 2.800 5.119 3.739 1.00 22.21 H new ATOM 739 N GLU A 45 0.094 10.222 3.322 1.00 23.24 N ATOM 740 CA GLU A 45 0.092 11.395 2.431 1.00 12.51 C ATOM 741 C GLU A 45 -0.221 12.690 3.201 1.00 72.13 C ATOM 742 O GLU A 45 0.371 13.733 2.921 1.00 74.32 O ATOM 743 CB GLU A 45 -0.916 11.166 1.270 1.00 2.51 C ATOM 744 CG GLU A 45 -0.567 9.955 0.378 1.00 51.44 C ATOM 745 CD GLU A 45 -1.636 9.655 -0.681 1.00 35.05 C ATOM 746 OE1 GLU A 45 -1.490 10.110 -1.836 1.00 3.13 O ATOM 747 OE2 GLU A 45 -2.629 8.965 -0.361 1.00 14.44 O ATOM 0 H GLU A 45 -0.631 9.541 3.098 1.00 23.24 H new ATOM 0 HA GLU A 45 1.090 11.515 2.010 1.00 12.51 H new ATOM 0 HB2 GLU A 45 -1.913 11.023 1.688 1.00 2.51 H new ATOM 0 HB3 GLU A 45 -0.955 12.063 0.652 1.00 2.51 H new ATOM 0 HG2 GLU A 45 0.385 10.141 -0.119 1.00 51.44 H new ATOM 0 HG3 GLU A 45 -0.432 9.075 1.008 1.00 51.44 H new ATOM 754 N THR A 46 -1.110 12.594 4.213 1.00 43.44 N ATOM 755 CA THR A 46 -1.607 13.770 4.948 1.00 11.24 C ATOM 756 C THR A 46 -0.642 14.199 6.082 1.00 44.22 C ATOM 757 O THR A 46 -0.601 15.386 6.433 1.00 75.41 O ATOM 758 CB THR A 46 -3.064 13.571 5.489 1.00 44.31 C ATOM 759 OG1 THR A 46 -3.593 14.830 5.920 1.00 11.14 O ATOM 760 CG2 THR A 46 -3.135 12.565 6.644 1.00 53.32 C ATOM 0 H THR A 46 -1.498 11.708 4.538 1.00 43.44 H new ATOM 0 HA THR A 46 -1.645 14.583 4.223 1.00 11.24 H new ATOM 0 HB THR A 46 -3.658 13.166 4.670 1.00 44.31 H new ATOM 0 HG1 THR A 46 -4.505 14.704 6.257 1.00 11.14 H new ATOM 0 HG21 THR A 46 -4.168 12.467 6.978 1.00 53.32 H new ATOM 0 HG22 THR A 46 -2.770 11.595 6.305 1.00 53.32 H new ATOM 0 HG23 THR A 46 -2.518 12.916 7.471 1.00 53.32 H new ATOM 768 N VAL A 47 0.144 13.247 6.667 1.00 61.33 N ATOM 769 CA VAL A 47 1.248 13.628 7.587 1.00 1.11 C ATOM 770 C VAL A 47 2.387 14.289 6.783 1.00 24.41 C ATOM 771 O VAL A 47 3.118 15.139 7.307 1.00 63.04 O ATOM 772 CB VAL A 47 1.817 12.438 8.462 1.00 71.00 C ATOM 773 CG1 VAL A 47 0.736 11.871 9.401 1.00 73.12 C ATOM 774 CG2 VAL A 47 2.439 11.322 7.605 1.00 72.33 C ATOM 0 H VAL A 47 0.036 12.243 6.522 1.00 61.33 H new ATOM 0 HA VAL A 47 0.817 14.331 8.299 1.00 1.11 H new ATOM 0 HB VAL A 47 2.618 12.855 9.072 1.00 71.00 H new ATOM 0 HG11 VAL A 47 1.156 11.055 9.989 1.00 73.12 H new ATOM 0 HG12 VAL A 47 0.386 12.657 10.070 1.00 73.12 H new ATOM 0 HG13 VAL A 47 -0.101 11.498 8.810 1.00 73.12 H new ATOM 0 HG21 VAL A 47 2.814 10.531 8.254 1.00 72.33 H new ATOM 0 HG22 VAL A 47 1.683 10.914 6.935 1.00 72.33 H new ATOM 0 HG23 VAL A 47 3.262 11.730 7.018 1.00 72.33 H new ATOM 784 N MET A 48 2.522 13.889 5.497 1.00 45.13 N ATOM 785 CA MET A 48 3.490 14.495 4.561 1.00 61.15 C ATOM 786 C MET A 48 2.953 15.790 3.910 1.00 2.21 C ATOM 787 O MET A 48 3.737 16.557 3.338 1.00 71.41 O ATOM 788 CB MET A 48 3.933 13.464 3.500 1.00 73.21 C ATOM 789 CG MET A 48 4.726 12.288 4.093 1.00 0.41 C ATOM 790 SD MET A 48 6.174 12.832 5.040 1.00 73.42 S ATOM 791 CE MET A 48 6.894 11.274 5.569 1.00 72.11 C ATOM 0 H MET A 48 1.965 13.141 5.084 1.00 45.13 H new ATOM 0 HA MET A 48 4.365 14.789 5.141 1.00 61.15 H new ATOM 0 HB2 MET A 48 3.052 13.078 2.988 1.00 73.21 H new ATOM 0 HB3 MET A 48 4.545 13.965 2.749 1.00 73.21 H new ATOM 0 HG2 MET A 48 4.072 11.703 4.740 1.00 0.41 H new ATOM 0 HG3 MET A 48 5.050 11.629 3.287 1.00 0.41 H new ATOM 0 HE1 MET A 48 7.327 11.392 6.562 1.00 72.11 H new ATOM 0 HE2 MET A 48 6.120 10.507 5.600 1.00 72.11 H new ATOM 0 HE3 MET A 48 7.672 10.976 4.867 1.00 72.11 H new ATOM 801 N GLU A 49 1.624 16.041 4.003 1.00 44.43 N ATOM 802 CA GLU A 49 1.040 17.378 3.702 1.00 54.44 C ATOM 803 C GLU A 49 1.500 18.388 4.772 1.00 1.53 C ATOM 804 O GLU A 49 1.661 19.582 4.501 1.00 53.24 O ATOM 805 CB GLU A 49 -0.520 17.351 3.686 1.00 42.50 C ATOM 806 CG GLU A 49 -1.168 16.528 2.560 1.00 53.11 C ATOM 807 CD GLU A 49 -0.789 17.013 1.158 1.00 42.24 C ATOM 808 OE1 GLU A 49 0.017 16.362 0.487 1.00 4.21 O ATOM 809 OE2 GLU A 49 -1.295 18.055 0.718 1.00 74.42 O ATOM 0 H GLU A 49 0.937 15.341 4.282 1.00 44.43 H new ATOM 0 HA GLU A 49 1.386 17.669 2.710 1.00 54.44 H new ATOM 0 HB2 GLU A 49 -0.867 16.958 4.642 1.00 42.50 H new ATOM 0 HB3 GLU A 49 -0.881 18.377 3.613 1.00 42.50 H new ATOM 0 HG2 GLU A 49 -0.874 15.484 2.667 1.00 53.11 H new ATOM 0 HG3 GLU A 49 -2.252 16.566 2.669 1.00 53.11 H new ATOM 816 N LYS A 50 1.705 17.866 5.995 1.00 51.50 N ATOM 817 CA LYS A 50 2.195 18.641 7.145 1.00 74.34 C ATOM 818 C LYS A 50 3.733 18.569 7.237 1.00 33.35 C ATOM 819 O LYS A 50 4.310 19.059 8.213 1.00 51.20 O ATOM 820 CB LYS A 50 1.525 18.117 8.449 1.00 60.33 C ATOM 821 CG LYS A 50 -0.017 18.187 8.423 1.00 75.12 C ATOM 822 CD LYS A 50 -0.546 19.621 8.163 1.00 14.22 C ATOM 823 CE LYS A 50 -2.079 19.708 8.112 1.00 61.22 C ATOM 824 NZ LYS A 50 -2.539 21.088 7.801 1.00 64.43 N ATOM 0 H LYS A 50 1.533 16.884 6.213 1.00 51.50 H new ATOM 0 HA LYS A 50 1.926 19.689 7.012 1.00 74.34 H new ATOM 0 HB2 LYS A 50 1.831 17.084 8.615 1.00 60.33 H new ATOM 0 HB3 LYS A 50 1.892 18.698 9.295 1.00 60.33 H new ATOM 0 HG2 LYS A 50 -0.394 17.519 7.649 1.00 75.12 H new ATOM 0 HG3 LYS A 50 -0.409 17.826 9.374 1.00 75.12 H new ATOM 0 HD2 LYS A 50 -0.178 20.283 8.947 1.00 14.22 H new ATOM 0 HD3 LYS A 50 -0.138 19.985 7.220 1.00 14.22 H new ATOM 0 HE2 LYS A 50 -2.458 19.019 7.358 1.00 61.22 H new ATOM 0 HE3 LYS A 50 -2.494 19.393 9.069 1.00 61.22 H new ATOM 0 HZ1 LYS A 50 -3.578 21.110 7.775 1.00 64.43 H new ATOM 0 HZ2 LYS A 50 -2.198 21.741 8.535 1.00 64.43 H new ATOM 0 HZ3 LYS A 50 -2.163 21.379 6.876 1.00 64.43 H new ATOM 838 N GLN A 51 4.365 17.944 6.195 1.00 40.20 N ATOM 839 CA GLN A 51 5.840 17.812 5.992 1.00 73.52 C ATOM 840 C GLN A 51 6.607 17.371 7.256 1.00 62.20 C ATOM 841 O GLN A 51 7.818 17.622 7.356 1.00 41.11 O ATOM 842 CB GLN A 51 6.459 19.118 5.357 1.00 4.31 C ATOM 843 CG GLN A 51 6.311 20.416 6.179 1.00 54.20 C ATOM 844 CD GLN A 51 6.982 21.636 5.537 1.00 52.42 C ATOM 845 OE1 GLN A 51 6.372 22.339 4.730 1.00 3.32 O ATOM 846 NE2 GLN A 51 8.228 21.906 5.892 1.00 33.41 N ATOM 0 H GLN A 51 3.836 17.501 5.444 1.00 40.20 H new ATOM 0 HA GLN A 51 5.966 16.998 5.278 1.00 73.52 H new ATOM 0 HB2 GLN A 51 7.521 18.943 5.182 1.00 4.31 H new ATOM 0 HB3 GLN A 51 5.997 19.276 4.382 1.00 4.31 H new ATOM 0 HG2 GLN A 51 5.251 20.628 6.318 1.00 54.20 H new ATOM 0 HG3 GLN A 51 6.737 20.258 7.170 1.00 54.20 H new ATOM 0 HE21 GLN A 51 8.709 21.306 6.563 1.00 33.41 H new ATOM 0 HE22 GLN A 51 8.708 22.714 5.495 1.00 33.41 H new ATOM 855 N THR A 52 5.904 16.634 8.164 1.00 2.21 N ATOM 856 CA THR A 52 6.397 16.300 9.516 1.00 5.25 C ATOM 857 C THR A 52 6.755 17.599 10.299 1.00 43.50 C ATOM 858 O THR A 52 7.850 18.150 10.108 1.00 12.24 O ATOM 859 CB THR A 52 7.605 15.284 9.467 1.00 50.11 C ATOM 860 OG1 THR A 52 7.157 14.014 8.951 1.00 74.30 O ATOM 861 CG2 THR A 52 8.282 15.076 10.837 1.00 64.42 C ATOM 0 H THR A 52 4.976 16.258 7.969 1.00 2.21 H new ATOM 0 HA THR A 52 5.595 15.795 10.054 1.00 5.25 H new ATOM 0 HB THR A 52 8.354 15.722 8.807 1.00 50.11 H new ATOM 0 HG1 THR A 52 7.911 13.389 8.921 1.00 74.30 H new ATOM 0 HG21 THR A 52 9.103 14.367 10.733 1.00 64.42 H new ATOM 0 HG22 THR A 52 8.668 16.028 11.200 1.00 64.42 H new ATOM 0 HG23 THR A 52 7.553 14.686 11.547 1.00 64.42 H new ATOM 869 N PRO A 53 5.811 18.142 11.155 1.00 64.43 N ATOM 870 CA PRO A 53 6.062 19.368 11.960 1.00 54.43 C ATOM 871 C PRO A 53 7.344 19.221 12.810 1.00 62.45 C ATOM 872 O PRO A 53 7.500 18.217 13.485 1.00 60.44 O ATOM 873 CB PRO A 53 4.781 19.493 12.853 1.00 51.14 C ATOM 874 CG PRO A 53 4.099 18.156 12.766 1.00 10.21 C ATOM 875 CD PRO A 53 4.443 17.613 11.395 1.00 34.42 C ATOM 0 HA PRO A 53 6.228 20.255 11.348 1.00 54.43 H new ATOM 0 HB2 PRO A 53 5.043 19.734 13.883 1.00 51.14 H new ATOM 0 HB3 PRO A 53 4.129 20.290 12.495 1.00 51.14 H new ATOM 0 HG2 PRO A 53 4.448 17.486 13.552 1.00 10.21 H new ATOM 0 HG3 PRO A 53 3.021 18.257 12.889 1.00 10.21 H new ATOM 0 HD2 PRO A 53 4.423 16.523 11.377 1.00 34.42 H new ATOM 0 HD3 PRO A 53 3.739 17.957 10.637 1.00 34.42 H new ATOM 883 N PRO A 54 8.301 20.200 12.759 1.00 35.21 N ATOM 884 CA PRO A 54 9.620 20.060 13.434 1.00 4.42 C ATOM 885 C PRO A 54 9.545 20.197 14.973 1.00 3.30 C ATOM 886 O PRO A 54 10.515 19.879 15.671 1.00 65.21 O ATOM 887 CB PRO A 54 10.452 21.195 12.800 1.00 51.14 C ATOM 888 CG PRO A 54 9.442 22.253 12.465 1.00 22.44 C ATOM 889 CD PRO A 54 8.180 21.511 12.060 1.00 0.34 C ATOM 0 HA PRO A 54 10.048 19.067 13.293 1.00 4.42 H new ATOM 0 HB2 PRO A 54 11.206 21.570 13.492 1.00 51.14 H new ATOM 0 HB3 PRO A 54 10.979 20.852 11.910 1.00 51.14 H new ATOM 0 HG2 PRO A 54 9.256 22.901 13.322 1.00 22.44 H new ATOM 0 HG3 PRO A 54 9.798 22.890 11.655 1.00 22.44 H new ATOM 0 HD2 PRO A 54 7.283 22.048 12.369 1.00 0.34 H new ATOM 0 HD3 PRO A 54 8.119 21.384 10.979 1.00 0.34 H new ATOM 897 N GLY A 55 8.384 20.674 15.484 1.00 74.14 N ATOM 898 CA GLY A 55 8.136 20.783 16.923 1.00 5.22 C ATOM 899 C GLY A 55 7.720 19.442 17.522 1.00 52.14 C ATOM 900 O GLY A 55 6.558 19.253 17.903 1.00 40.24 O ATOM 0 H GLY A 55 7.605 20.989 14.906 1.00 74.14 H new ATOM 0 HA2 GLY A 55 9.036 21.142 17.422 1.00 5.22 H new ATOM 0 HA3 GLY A 55 7.355 21.521 17.104 1.00 5.22 H new ATOM 904 N ILE A 56 8.671 18.490 17.548 1.00 33.33 N ATOM 905 CA ILE A 56 8.474 17.123 18.068 1.00 14.03 C ATOM 906 C ILE A 56 9.563 16.832 19.109 1.00 64.31 C ATOM 907 O ILE A 56 10.757 16.888 18.789 1.00 12.30 O ATOM 908 CB ILE A 56 8.558 16.056 16.902 1.00 11.02 C ATOM 909 CG1 ILE A 56 7.467 16.304 15.817 1.00 21.12 C ATOM 910 CG2 ILE A 56 8.482 14.605 17.431 1.00 3.41 C ATOM 911 CD1 ILE A 56 6.034 16.308 16.315 1.00 23.35 C ATOM 0 H ILE A 56 9.617 18.652 17.201 1.00 33.33 H new ATOM 0 HA ILE A 56 7.485 17.054 18.521 1.00 14.03 H new ATOM 0 HB ILE A 56 9.535 16.184 16.436 1.00 11.02 H new ATOM 0 HG12 ILE A 56 7.668 17.262 15.338 1.00 21.12 H new ATOM 0 HG13 ILE A 56 7.563 15.537 15.049 1.00 21.12 H new ATOM 0 HG21 ILE A 56 8.544 13.909 16.594 1.00 3.41 H new ATOM 0 HG22 ILE A 56 9.310 14.424 18.116 1.00 3.41 H new ATOM 0 HG23 ILE A 56 7.538 14.458 17.956 1.00 3.41 H new ATOM 0 HD11 ILE A 56 5.359 16.489 15.479 1.00 23.35 H new ATOM 0 HD12 ILE A 56 5.803 15.343 16.766 1.00 23.35 H new ATOM 0 HD13 ILE A 56 5.910 17.095 17.059 1.00 23.35 H new ATOM 923 N THR A 57 9.151 16.544 20.360 1.00 61.32 N ATOM 924 CA THR A 57 10.077 16.130 21.430 1.00 12.20 C ATOM 925 C THR A 57 10.525 14.678 21.197 1.00 43.34 C ATOM 926 O THR A 57 9.874 13.940 20.448 1.00 21.14 O ATOM 927 CB THR A 57 9.431 16.279 22.857 1.00 4.32 C ATOM 928 OG1 THR A 57 10.376 15.903 23.867 1.00 55.32 O ATOM 929 CG2 THR A 57 8.155 15.434 23.022 1.00 70.11 C ATOM 0 H THR A 57 8.175 16.592 20.654 1.00 61.32 H new ATOM 0 HA THR A 57 10.944 16.790 21.396 1.00 12.20 H new ATOM 0 HB THR A 57 9.152 17.327 22.967 1.00 4.32 H new ATOM 0 HG1 THR A 57 9.966 16.001 24.752 1.00 55.32 H new ATOM 0 HG21 THR A 57 7.752 15.575 24.025 1.00 70.11 H new ATOM 0 HG22 THR A 57 7.414 15.746 22.286 1.00 70.11 H new ATOM 0 HG23 THR A 57 8.394 14.381 22.872 1.00 70.11 H new ATOM 937 N ARG A 58 11.596 14.257 21.899 1.00 40.40 N ATOM 938 CA ARG A 58 12.232 12.942 21.680 1.00 32.52 C ATOM 939 C ARG A 58 11.294 11.790 22.106 1.00 41.43 C ATOM 940 O ARG A 58 11.471 10.660 21.655 1.00 3.02 O ATOM 941 CB ARG A 58 13.607 12.829 22.421 1.00 3.20 C ATOM 942 CG ARG A 58 13.554 12.655 23.964 1.00 53.13 C ATOM 943 CD ARG A 58 13.052 13.897 24.713 1.00 42.21 C ATOM 944 NE ARG A 58 13.898 15.079 24.473 1.00 41.11 N ATOM 945 CZ ARG A 58 13.648 16.318 24.941 1.00 13.23 C ATOM 946 NH1 ARG A 58 12.571 16.572 25.690 1.00 43.45 N ATOM 947 NH2 ARG A 58 14.482 17.306 24.647 1.00 54.03 N ATOM 0 H ARG A 58 12.042 14.814 22.628 1.00 40.40 H new ATOM 0 HA ARG A 58 12.422 12.855 20.610 1.00 32.52 H new ATOM 0 HB2 ARG A 58 14.152 11.983 22.001 1.00 3.20 H new ATOM 0 HB3 ARG A 58 14.188 13.724 22.199 1.00 3.20 H new ATOM 0 HG2 ARG A 58 12.905 11.812 24.203 1.00 53.13 H new ATOM 0 HG3 ARG A 58 14.551 12.403 24.326 1.00 53.13 H new ATOM 0 HD2 ARG A 58 12.030 14.116 24.403 1.00 42.21 H new ATOM 0 HD3 ARG A 58 13.023 13.686 25.782 1.00 42.21 H new ATOM 0 HE ARG A 58 14.738 14.950 23.909 1.00 41.11 H new ATOM 0 HH11 ARG A 58 11.919 15.821 25.918 1.00 43.45 H new ATOM 0 HH12 ARG A 58 12.400 17.517 26.034 1.00 43.45 H new ATOM 0 HH21 ARG A 58 15.304 17.125 24.071 1.00 54.03 H new ATOM 0 HH22 ARG A 58 14.301 18.247 24.997 1.00 54.03 H new ATOM 961 N SER A 59 10.297 12.099 22.964 1.00 5.22 N ATOM 962 CA SER A 59 9.282 11.128 23.407 1.00 22.41 C ATOM 963 C SER A 59 8.316 10.783 22.249 1.00 52.11 C ATOM 964 O SER A 59 8.100 9.602 21.935 1.00 33.33 O ATOM 965 CB SER A 59 8.512 11.710 24.613 1.00 55.12 C ATOM 966 OG SER A 59 7.510 10.821 25.082 1.00 52.24 O ATOM 0 H SER A 59 10.177 13.028 23.366 1.00 5.22 H new ATOM 0 HA SER A 59 9.775 10.205 23.712 1.00 22.41 H new ATOM 0 HB2 SER A 59 9.212 11.926 25.420 1.00 55.12 H new ATOM 0 HB3 SER A 59 8.053 12.656 24.328 1.00 55.12 H new ATOM 0 HG SER A 59 7.047 11.224 25.846 1.00 52.24 H new ATOM 972 N ILE A 60 7.762 11.840 21.608 1.00 11.40 N ATOM 973 CA ILE A 60 6.870 11.704 20.441 1.00 42.23 C ATOM 974 C ILE A 60 7.642 11.070 19.267 1.00 13.14 C ATOM 975 O ILE A 60 7.131 10.178 18.591 1.00 70.33 O ATOM 976 CB ILE A 60 6.270 13.098 20.012 1.00 25.41 C ATOM 977 CG1 ILE A 60 5.451 13.723 21.181 1.00 44.31 C ATOM 978 CG2 ILE A 60 5.410 12.973 18.732 1.00 11.40 C ATOM 979 CD1 ILE A 60 4.952 15.136 20.926 1.00 13.54 C ATOM 0 H ILE A 60 7.923 12.807 21.888 1.00 11.40 H new ATOM 0 HA ILE A 60 6.039 11.056 20.719 1.00 42.23 H new ATOM 0 HB ILE A 60 7.100 13.765 19.781 1.00 25.41 H new ATOM 0 HG12 ILE A 60 4.594 13.082 21.389 1.00 44.31 H new ATOM 0 HG13 ILE A 60 6.070 13.728 22.078 1.00 44.31 H new ATOM 0 HG21 ILE A 60 5.012 13.952 18.464 1.00 11.40 H new ATOM 0 HG22 ILE A 60 6.026 12.596 17.915 1.00 11.40 H new ATOM 0 HG23 ILE A 60 4.586 12.283 18.913 1.00 11.40 H new ATOM 0 HD11 ILE A 60 4.393 15.487 21.794 1.00 13.54 H new ATOM 0 HD12 ILE A 60 5.802 15.796 20.750 1.00 13.54 H new ATOM 0 HD13 ILE A 60 4.302 15.140 20.051 1.00 13.54 H new ATOM 991 N GLN A 61 8.892 11.539 19.090 1.00 73.22 N ATOM 992 CA GLN A 61 9.845 11.036 18.087 1.00 4.53 C ATOM 993 C GLN A 61 10.082 9.520 18.247 1.00 12.53 C ATOM 994 O GLN A 61 10.124 8.799 17.253 1.00 74.01 O ATOM 995 CB GLN A 61 11.177 11.818 18.215 1.00 24.01 C ATOM 996 CG GLN A 61 12.319 11.326 17.314 1.00 22.33 C ATOM 997 CD GLN A 61 13.616 12.094 17.541 1.00 44.10 C ATOM 998 OE1 GLN A 61 14.413 11.737 18.406 1.00 73.14 O ATOM 999 NE2 GLN A 61 13.843 13.145 16.767 1.00 54.31 N ATOM 0 H GLN A 61 9.275 12.297 19.655 1.00 73.22 H new ATOM 0 HA GLN A 61 9.426 11.192 17.093 1.00 4.53 H new ATOM 0 HB2 GLN A 61 10.986 12.867 17.990 1.00 24.01 H new ATOM 0 HB3 GLN A 61 11.509 11.770 19.252 1.00 24.01 H new ATOM 0 HG2 GLN A 61 12.492 10.266 17.499 1.00 22.33 H new ATOM 0 HG3 GLN A 61 12.021 11.423 16.270 1.00 22.33 H new ATOM 0 HE21 GLN A 61 13.160 13.414 16.059 1.00 54.31 H new ATOM 0 HE22 GLN A 61 14.701 13.685 16.879 1.00 54.31 H new ATOM 1008 N ASP A 62 10.205 9.059 19.508 1.00 72.11 N ATOM 1009 CA ASP A 62 10.406 7.632 19.836 1.00 63.21 C ATOM 1010 C ASP A 62 9.194 6.793 19.391 1.00 1.24 C ATOM 1011 O ASP A 62 9.358 5.770 18.710 1.00 1.04 O ATOM 1012 CB ASP A 62 10.651 7.463 21.362 1.00 31.12 C ATOM 1013 CG ASP A 62 10.745 5.989 21.797 1.00 14.15 C ATOM 1014 OD1 ASP A 62 9.808 5.479 22.453 1.00 24.32 O ATOM 1015 OD2 ASP A 62 11.754 5.327 21.468 1.00 2.14 O ATOM 0 H ASP A 62 10.168 9.665 20.328 1.00 72.11 H new ATOM 0 HA ASP A 62 11.283 7.275 19.297 1.00 63.21 H new ATOM 0 HB2 ASP A 62 11.573 7.976 21.635 1.00 31.12 H new ATOM 0 HB3 ASP A 62 9.842 7.947 21.910 1.00 31.12 H new ATOM 1020 N MET A 63 7.981 7.265 19.764 1.00 51.52 N ATOM 1021 CA MET A 63 6.709 6.589 19.423 1.00 44.03 C ATOM 1022 C MET A 63 6.570 6.430 17.909 1.00 51.52 C ATOM 1023 O MET A 63 6.427 5.310 17.402 1.00 52.33 O ATOM 1024 CB MET A 63 5.485 7.366 19.972 1.00 21.21 C ATOM 1025 CG MET A 63 5.444 7.523 21.490 1.00 32.54 C ATOM 1026 SD MET A 63 3.867 8.202 22.044 1.00 22.25 S ATOM 1027 CE MET A 63 3.727 9.697 21.053 1.00 72.34 C ATOM 0 H MET A 63 7.858 8.120 20.306 1.00 51.52 H new ATOM 0 HA MET A 63 6.733 5.605 19.891 1.00 44.03 H new ATOM 0 HB2 MET A 63 5.471 8.358 19.519 1.00 21.21 H new ATOM 0 HB3 MET A 63 4.577 6.856 19.651 1.00 21.21 H new ATOM 0 HG2 MET A 63 5.610 6.554 21.961 1.00 32.54 H new ATOM 0 HG3 MET A 63 6.255 8.176 21.811 1.00 32.54 H new ATOM 0 HE1 MET A 63 2.702 10.065 21.093 1.00 72.34 H new ATOM 0 HE2 MET A 63 4.402 10.458 21.445 1.00 72.34 H new ATOM 0 HE3 MET A 63 3.992 9.475 20.019 1.00 72.34 H new ATOM 1037 N VAL A 64 6.661 7.565 17.197 1.00 64.14 N ATOM 1038 CA VAL A 64 6.401 7.617 15.756 1.00 41.22 C ATOM 1039 C VAL A 64 7.500 6.927 14.944 1.00 30.32 C ATOM 1040 O VAL A 64 7.196 6.353 13.914 1.00 52.11 O ATOM 1041 CB VAL A 64 6.146 9.070 15.243 1.00 23.42 C ATOM 1042 CG1 VAL A 64 4.929 9.693 15.972 1.00 71.53 C ATOM 1043 CG2 VAL A 64 7.404 9.952 15.368 1.00 74.41 C ATOM 0 H VAL A 64 6.915 8.465 17.604 1.00 64.14 H new ATOM 0 HA VAL A 64 5.479 7.058 15.599 1.00 41.22 H new ATOM 0 HB VAL A 64 5.912 9.017 14.180 1.00 23.42 H new ATOM 0 HG11 VAL A 64 4.764 10.706 15.604 1.00 71.53 H new ATOM 0 HG12 VAL A 64 4.042 9.088 15.782 1.00 71.53 H new ATOM 0 HG13 VAL A 64 5.124 9.724 17.044 1.00 71.53 H new ATOM 0 HG21 VAL A 64 7.184 10.954 15.000 1.00 74.41 H new ATOM 0 HG22 VAL A 64 7.707 10.007 16.414 1.00 74.41 H new ATOM 0 HG23 VAL A 64 8.212 9.519 14.779 1.00 74.41 H new ATOM 1053 N ALA A 65 8.759 6.951 15.435 1.00 31.44 N ATOM 1054 CA ALA A 65 9.872 6.211 14.802 1.00 23.35 C ATOM 1055 C ALA A 65 9.585 4.698 14.838 1.00 34.43 C ATOM 1056 O ALA A 65 9.860 3.986 13.869 1.00 13.00 O ATOM 1057 CB ALA A 65 11.217 6.519 15.481 1.00 54.25 C ATOM 0 H ALA A 65 9.029 7.475 16.267 1.00 31.44 H new ATOM 0 HA ALA A 65 9.947 6.538 13.765 1.00 23.35 H new ATOM 0 HB1 ALA A 65 12.010 5.957 14.988 1.00 54.25 H new ATOM 0 HB2 ALA A 65 11.427 7.586 15.405 1.00 54.25 H new ATOM 0 HB3 ALA A 65 11.168 6.233 16.532 1.00 54.25 H new ATOM 1063 N GLY A 66 9.000 4.234 15.969 1.00 61.22 N ATOM 1064 CA GLY A 66 8.519 2.855 16.092 1.00 65.11 C ATOM 1065 C GLY A 66 7.401 2.554 15.096 1.00 15.54 C ATOM 1066 O GLY A 66 7.386 1.485 14.483 1.00 52.02 O ATOM 0 H GLY A 66 8.854 4.802 16.804 1.00 61.22 H new ATOM 0 HA2 GLY A 66 9.347 2.165 15.929 1.00 65.11 H new ATOM 0 HA3 GLY A 66 8.158 2.685 17.106 1.00 65.11 H new ATOM 1070 N TYR A 67 6.478 3.525 14.921 1.00 74.14 N ATOM 1071 CA TYR A 67 5.333 3.400 13.995 1.00 73.25 C ATOM 1072 C TYR A 67 5.798 3.340 12.522 1.00 2.32 C ATOM 1073 O TYR A 67 5.218 2.596 11.716 1.00 60.42 O ATOM 1074 CB TYR A 67 4.331 4.573 14.184 1.00 12.20 C ATOM 1075 CG TYR A 67 3.657 4.656 15.577 1.00 30.32 C ATOM 1076 CD1 TYR A 67 3.438 5.888 16.197 1.00 73.14 C ATOM 1077 CD2 TYR A 67 3.242 3.508 16.269 1.00 71.02 C ATOM 1078 CE1 TYR A 67 2.837 5.983 17.432 1.00 71.33 C ATOM 1079 CE2 TYR A 67 2.633 3.604 17.515 1.00 4.54 C ATOM 1080 CZ TYR A 67 2.437 4.845 18.090 1.00 41.34 C ATOM 1081 OH TYR A 67 1.829 4.951 19.328 1.00 44.52 O ATOM 0 H TYR A 67 6.506 4.416 15.417 1.00 74.14 H new ATOM 0 HA TYR A 67 4.829 2.464 14.234 1.00 73.25 H new ATOM 0 HB2 TYR A 67 4.856 5.510 13.997 1.00 12.20 H new ATOM 0 HB3 TYR A 67 3.551 4.488 13.427 1.00 12.20 H new ATOM 0 HD1 TYR A 67 3.749 6.792 15.694 1.00 73.14 H new ATOM 0 HD2 TYR A 67 3.398 2.535 15.827 1.00 71.02 H new ATOM 0 HE1 TYR A 67 2.680 6.952 17.883 1.00 71.33 H new ATOM 0 HE2 TYR A 67 2.314 2.711 18.032 1.00 4.54 H new ATOM 0 HH TYR A 67 1.605 4.057 19.660 1.00 44.52 H new ATOM 1091 N ILE A 68 6.854 4.122 12.189 1.00 51.14 N ATOM 1092 CA ILE A 68 7.427 4.164 10.827 1.00 52.45 C ATOM 1093 C ILE A 68 8.165 2.844 10.544 1.00 25.41 C ATOM 1094 O ILE A 68 8.096 2.312 9.444 1.00 23.31 O ATOM 1095 CB ILE A 68 8.422 5.375 10.588 1.00 54.22 C ATOM 1096 CG1 ILE A 68 7.764 6.737 10.947 1.00 3.54 C ATOM 1097 CG2 ILE A 68 8.910 5.399 9.113 1.00 64.33 C ATOM 1098 CD1 ILE A 68 8.698 7.939 10.885 1.00 4.12 C ATOM 0 H ILE A 68 7.327 4.735 12.853 1.00 51.14 H new ATOM 0 HA ILE A 68 6.589 4.307 10.144 1.00 52.45 H new ATOM 0 HB ILE A 68 9.277 5.227 11.247 1.00 54.22 H new ATOM 0 HG12 ILE A 68 6.928 6.910 10.269 1.00 3.54 H new ATOM 0 HG13 ILE A 68 7.349 6.669 11.953 1.00 3.54 H new ATOM 0 HG21 ILE A 68 9.592 6.237 8.969 1.00 64.33 H new ATOM 0 HG22 ILE A 68 9.428 4.467 8.886 1.00 64.33 H new ATOM 0 HG23 ILE A 68 8.053 5.510 8.448 1.00 64.33 H new ATOM 0 HD11 ILE A 68 8.148 8.841 11.151 1.00 4.12 H new ATOM 0 HD12 ILE A 68 9.522 7.796 11.585 1.00 4.12 H new ATOM 0 HD13 ILE A 68 9.094 8.040 9.874 1.00 4.12 H new ATOM 1110 N LYS A 69 8.855 2.319 11.574 1.00 55.45 N ATOM 1111 CA LYS A 69 9.580 1.035 11.501 1.00 12.30 C ATOM 1112 C LYS A 69 8.587 -0.098 11.118 1.00 72.23 C ATOM 1113 O LYS A 69 8.882 -0.912 10.223 1.00 61.14 O ATOM 1114 CB LYS A 69 10.289 0.778 12.870 1.00 44.23 C ATOM 1115 CG LYS A 69 11.315 -0.398 12.932 1.00 14.41 C ATOM 1116 CD LYS A 69 10.681 -1.810 12.993 1.00 54.05 C ATOM 1117 CE LYS A 69 9.687 -1.983 14.158 1.00 73.45 C ATOM 1118 NZ LYS A 69 10.329 -1.811 15.484 1.00 5.11 N ATOM 0 H LYS A 69 8.926 2.775 12.484 1.00 55.45 H new ATOM 0 HA LYS A 69 10.349 1.062 10.729 1.00 12.30 H new ATOM 0 HB2 LYS A 69 10.806 1.693 13.160 1.00 44.23 H new ATOM 0 HB3 LYS A 69 9.520 0.595 13.620 1.00 44.23 H new ATOM 0 HG2 LYS A 69 11.963 -0.343 12.057 1.00 14.41 H new ATOM 0 HG3 LYS A 69 11.950 -0.262 13.807 1.00 14.41 H new ATOM 0 HD2 LYS A 69 10.167 -2.010 12.053 1.00 54.05 H new ATOM 0 HD3 LYS A 69 11.473 -2.553 13.087 1.00 54.05 H new ATOM 0 HE2 LYS A 69 8.879 -1.259 14.053 1.00 73.45 H new ATOM 0 HE3 LYS A 69 9.236 -2.974 14.102 1.00 73.45 H new ATOM 0 HZ1 LYS A 69 9.618 -1.937 16.233 1.00 5.11 H new ATOM 0 HZ2 LYS A 69 11.083 -2.518 15.599 1.00 5.11 H new ATOM 0 HZ3 LYS A 69 10.737 -0.857 15.551 1.00 5.11 H new ATOM 1132 N GLN A 70 7.409 -0.113 11.796 1.00 71.03 N ATOM 1133 CA GLN A 70 6.338 -1.083 11.520 1.00 71.21 C ATOM 1134 C GLN A 70 5.885 -0.973 10.064 1.00 41.43 C ATOM 1135 O GLN A 70 5.941 -1.947 9.315 1.00 11.13 O ATOM 1136 CB GLN A 70 5.106 -0.856 12.433 1.00 21.13 C ATOM 1137 CG GLN A 70 5.352 -1.008 13.937 1.00 11.14 C ATOM 1138 CD GLN A 70 4.063 -0.891 14.764 1.00 43.23 C ATOM 1139 OE1 GLN A 70 2.938 -1.388 14.242 1.00 55.42 O flip ATOM 1140 NE2 GLN A 70 4.078 -0.371 15.882 1.00 4.31 N flip ATOM 0 H GLN A 70 7.185 0.545 12.542 1.00 71.03 H new ATOM 0 HA GLN A 70 6.748 -2.073 11.718 1.00 71.21 H new ATOM 0 HB2 GLN A 70 4.720 0.146 12.247 1.00 21.13 H new ATOM 0 HB3 GLN A 70 4.326 -1.558 12.139 1.00 21.13 H new ATOM 0 HG2 GLN A 70 5.815 -1.976 14.129 1.00 11.14 H new ATOM 0 HG3 GLN A 70 6.059 -0.246 14.264 1.00 11.14 H new ATOM 0 HE21 GLN A 70 4.949 0.002 16.260 1.00 4.31 H new ATOM 0 HE22 GLN A 70 3.219 -0.313 16.429 1.00 4.31 H new ATOM 1149 N THR A 71 5.498 0.258 9.673 1.00 74.35 N ATOM 1150 CA THR A 71 4.855 0.513 8.389 1.00 3.31 C ATOM 1151 C THR A 71 5.801 0.222 7.212 1.00 71.14 C ATOM 1152 O THR A 71 5.345 -0.202 6.166 1.00 42.42 O ATOM 1153 CB THR A 71 4.274 1.968 8.307 1.00 22.13 C ATOM 1154 OG1 THR A 71 3.309 2.042 7.262 1.00 42.13 O ATOM 1155 CG2 THR A 71 5.329 3.055 8.059 1.00 15.35 C ATOM 0 H THR A 71 5.626 1.094 10.243 1.00 74.35 H new ATOM 0 HA THR A 71 4.015 -0.177 8.312 1.00 3.31 H new ATOM 0 HB THR A 71 3.833 2.162 9.285 1.00 22.13 H new ATOM 0 HG1 THR A 71 3.407 2.893 6.786 1.00 42.13 H new ATOM 0 HG21 THR A 71 4.844 4.030 8.016 1.00 15.35 H new ATOM 0 HG22 THR A 71 6.057 3.047 8.870 1.00 15.35 H new ATOM 0 HG23 THR A 71 5.837 2.861 7.114 1.00 15.35 H new ATOM 1163 N LEU A 72 7.126 0.425 7.414 1.00 24.53 N ATOM 1164 CA LEU A 72 8.154 0.106 6.402 1.00 61.44 C ATOM 1165 C LEU A 72 8.242 -1.408 6.189 1.00 52.41 C ATOM 1166 O LEU A 72 8.239 -1.879 5.047 1.00 71.50 O ATOM 1167 CB LEU A 72 9.549 0.666 6.810 1.00 11.51 C ATOM 1168 CG LEU A 72 9.708 2.213 6.744 1.00 73.25 C ATOM 1169 CD1 LEU A 72 11.076 2.651 7.309 1.00 73.23 C ATOM 1170 CD2 LEU A 72 9.499 2.724 5.301 1.00 54.31 C ATOM 0 H LEU A 72 7.507 0.812 8.278 1.00 24.53 H new ATOM 0 HA LEU A 72 7.857 0.583 5.468 1.00 61.44 H new ATOM 0 HB2 LEU A 72 9.766 0.341 7.828 1.00 11.51 H new ATOM 0 HB3 LEU A 72 10.303 0.215 6.164 1.00 11.51 H new ATOM 0 HG LEU A 72 8.937 2.664 7.369 1.00 73.25 H new ATOM 0 HD11 LEU A 72 11.163 3.736 7.252 1.00 73.23 H new ATOM 0 HD12 LEU A 72 11.158 2.335 8.349 1.00 73.23 H new ATOM 0 HD13 LEU A 72 11.874 2.192 6.726 1.00 73.23 H new ATOM 0 HD21 LEU A 72 9.615 3.808 5.278 1.00 54.31 H new ATOM 0 HD22 LEU A 72 10.237 2.266 4.642 1.00 54.31 H new ATOM 0 HD23 LEU A 72 8.497 2.459 4.963 1.00 54.31 H new ATOM 1182 N ASP A 73 8.316 -2.155 7.303 1.00 42.54 N ATOM 1183 CA ASP A 73 8.422 -3.625 7.295 1.00 12.32 C ATOM 1184 C ASP A 73 7.208 -4.247 6.570 1.00 23.21 C ATOM 1185 O ASP A 73 7.361 -5.020 5.612 1.00 44.45 O ATOM 1186 CB ASP A 73 8.503 -4.149 8.756 1.00 73.14 C ATOM 1187 CG ASP A 73 8.504 -5.683 8.848 1.00 60.24 C ATOM 1188 OD1 ASP A 73 7.415 -6.286 8.992 1.00 12.31 O ATOM 1189 OD2 ASP A 73 9.594 -6.295 8.775 1.00 55.30 O ATOM 0 H ASP A 73 8.304 -1.754 8.241 1.00 42.54 H new ATOM 0 HA ASP A 73 9.327 -3.914 6.760 1.00 12.32 H new ATOM 0 HB2 ASP A 73 9.408 -3.762 9.224 1.00 73.14 H new ATOM 0 HB3 ASP A 73 7.658 -3.758 9.323 1.00 73.14 H new ATOM 1194 N ASN A 74 6.008 -3.844 7.024 1.00 2.33 N ATOM 1195 CA ASN A 74 4.734 -4.392 6.548 1.00 31.44 C ATOM 1196 C ASN A 74 4.511 -4.068 5.060 1.00 35.04 C ATOM 1197 O ASN A 74 4.137 -4.944 4.280 1.00 34.42 O ATOM 1198 CB ASN A 74 3.563 -3.848 7.409 1.00 31.12 C ATOM 1199 CG ASN A 74 3.706 -4.115 8.925 1.00 14.31 C ATOM 1200 OD1 ASN A 74 4.390 -5.189 9.327 1.00 10.40 O flip ATOM 1201 ND2 ASN A 74 3.207 -3.346 9.742 1.00 14.52 N flip ATOM 0 H ASN A 74 5.899 -3.123 7.737 1.00 2.33 H new ATOM 0 HA ASN A 74 4.769 -5.477 6.649 1.00 31.44 H new ATOM 0 HB2 ASN A 74 3.479 -2.773 7.248 1.00 31.12 H new ATOM 0 HB3 ASN A 74 2.633 -4.296 7.060 1.00 31.12 H new ATOM 0 HD21 ASN A 74 2.687 -2.529 9.422 1.00 14.52 H new ATOM 0 HD22 ASN A 74 3.313 -3.524 10.741 1.00 14.52 H new ATOM 1208 N GLU A 75 4.795 -2.810 4.690 1.00 62.32 N ATOM 1209 CA GLU A 75 4.624 -2.298 3.315 1.00 33.21 C ATOM 1210 C GLU A 75 5.652 -2.901 2.340 1.00 24.53 C ATOM 1211 O GLU A 75 5.388 -3.005 1.142 1.00 4.41 O ATOM 1212 CB GLU A 75 4.712 -0.764 3.351 1.00 40.42 C ATOM 1213 CG GLU A 75 4.524 -0.030 2.022 1.00 14.34 C ATOM 1214 CD GLU A 75 4.466 1.488 2.220 1.00 13.32 C ATOM 1215 OE1 GLU A 75 3.356 2.065 2.166 1.00 0.43 O ATOM 1216 OE2 GLU A 75 5.524 2.102 2.475 1.00 1.33 O ATOM 0 H GLU A 75 5.153 -2.110 5.340 1.00 62.32 H new ATOM 0 HA GLU A 75 3.646 -2.600 2.941 1.00 33.21 H new ATOM 0 HB2 GLU A 75 3.961 -0.397 4.051 1.00 40.42 H new ATOM 0 HB3 GLU A 75 5.686 -0.489 3.756 1.00 40.42 H new ATOM 0 HG2 GLU A 75 5.345 -0.279 1.349 1.00 14.34 H new ATOM 0 HG3 GLU A 75 3.605 -0.371 1.544 1.00 14.34 H new ATOM 1223 N GLN A 76 6.817 -3.312 2.873 1.00 72.23 N ATOM 1224 CA GLN A 76 7.846 -4.020 2.094 1.00 34.23 C ATOM 1225 C GLN A 76 7.341 -5.424 1.719 1.00 51.32 C ATOM 1226 O GLN A 76 7.509 -5.882 0.581 1.00 41.34 O ATOM 1227 CB GLN A 76 9.162 -4.117 2.904 1.00 54.43 C ATOM 1228 CG GLN A 76 10.325 -4.793 2.151 1.00 11.22 C ATOM 1229 CD GLN A 76 11.634 -4.877 2.937 1.00 23.11 C ATOM 1230 OE1 GLN A 76 12.719 -4.820 2.354 1.00 21.53 O ATOM 1231 NE2 GLN A 76 11.557 -5.052 4.250 1.00 63.51 N ATOM 0 H GLN A 76 7.069 -3.163 3.850 1.00 72.23 H new ATOM 0 HA GLN A 76 8.046 -3.461 1.180 1.00 34.23 H new ATOM 0 HB2 GLN A 76 9.469 -3.113 3.196 1.00 54.43 H new ATOM 0 HB3 GLN A 76 8.969 -4.671 3.823 1.00 54.43 H new ATOM 0 HG2 GLN A 76 10.021 -5.801 1.870 1.00 11.22 H new ATOM 0 HG3 GLN A 76 10.507 -4.246 1.226 1.00 11.22 H new ATOM 0 HE21 GLN A 76 10.646 -5.095 4.706 1.00 63.51 H new ATOM 0 HE22 GLN A 76 12.409 -5.143 4.803 1.00 63.51 H new ATOM 1240 N LEU A 77 6.697 -6.085 2.700 1.00 52.20 N ATOM 1241 CA LEU A 77 6.079 -7.405 2.501 1.00 11.45 C ATOM 1242 C LEU A 77 4.864 -7.304 1.553 1.00 34.11 C ATOM 1243 O LEU A 77 4.605 -8.233 0.790 1.00 75.30 O ATOM 1244 CB LEU A 77 5.667 -8.023 3.860 1.00 12.40 C ATOM 1245 CG LEU A 77 6.818 -8.252 4.889 1.00 22.23 C ATOM 1246 CD1 LEU A 77 6.273 -8.823 6.211 1.00 31.22 C ATOM 1247 CD2 LEU A 77 7.931 -9.148 4.301 1.00 42.25 C ATOM 0 H LEU A 77 6.592 -5.720 3.646 1.00 52.20 H new ATOM 0 HA LEU A 77 6.815 -8.061 2.037 1.00 11.45 H new ATOM 0 HB2 LEU A 77 4.921 -7.375 4.319 1.00 12.40 H new ATOM 0 HB3 LEU A 77 5.183 -8.981 3.668 1.00 12.40 H new ATOM 0 HG LEU A 77 7.265 -7.282 5.108 1.00 22.23 H new ATOM 0 HD11 LEU A 77 7.096 -8.973 6.909 1.00 31.22 H new ATOM 0 HD12 LEU A 77 5.555 -8.124 6.641 1.00 31.22 H new ATOM 0 HD13 LEU A 77 5.781 -9.777 6.020 1.00 31.22 H new ATOM 0 HD21 LEU A 77 8.717 -9.287 5.044 1.00 42.25 H new ATOM 0 HD22 LEU A 77 7.513 -10.117 4.030 1.00 42.25 H new ATOM 0 HD23 LEU A 77 8.350 -8.673 3.414 1.00 42.25 H new ATOM 1259 N LEU A 78 4.137 -6.160 1.606 1.00 74.32 N ATOM 1260 CA LEU A 78 3.047 -5.854 0.650 1.00 31.20 C ATOM 1261 C LEU A 78 3.614 -5.761 -0.768 1.00 63.43 C ATOM 1262 O LEU A 78 3.104 -6.387 -1.679 1.00 32.24 O ATOM 1263 CB LEU A 78 2.341 -4.510 0.983 1.00 1.55 C ATOM 1264 CG LEU A 78 1.588 -4.430 2.334 1.00 54.44 C ATOM 1265 CD1 LEU A 78 1.084 -2.992 2.580 1.00 32.43 C ATOM 1266 CD2 LEU A 78 0.442 -5.462 2.400 1.00 31.42 C ATOM 0 H LEU A 78 4.288 -5.432 2.305 1.00 74.32 H new ATOM 0 HA LEU A 78 2.317 -6.660 0.725 1.00 31.20 H new ATOM 0 HB2 LEU A 78 3.091 -3.719 0.965 1.00 1.55 H new ATOM 0 HB3 LEU A 78 1.631 -4.293 0.185 1.00 1.55 H new ATOM 0 HG LEU A 78 2.284 -4.682 3.134 1.00 54.44 H new ATOM 0 HD11 LEU A 78 0.556 -2.949 3.533 1.00 32.43 H new ATOM 0 HD12 LEU A 78 1.932 -2.308 2.604 1.00 32.43 H new ATOM 0 HD13 LEU A 78 0.407 -2.701 1.777 1.00 32.43 H new ATOM 0 HD21 LEU A 78 -0.067 -5.380 3.361 1.00 31.42 H new ATOM 0 HD22 LEU A 78 -0.268 -5.269 1.596 1.00 31.42 H new ATOM 0 HD23 LEU A 78 0.850 -6.467 2.290 1.00 31.42 H new ATOM 1278 N LYS A 79 4.699 -4.982 -0.906 1.00 71.22 N ATOM 1279 CA LYS A 79 5.352 -4.711 -2.190 1.00 73.22 C ATOM 1280 C LYS A 79 5.716 -6.025 -2.917 1.00 40.25 C ATOM 1281 O LYS A 79 5.328 -6.212 -4.067 1.00 73.50 O ATOM 1282 CB LYS A 79 6.600 -3.829 -1.942 1.00 44.34 C ATOM 1283 CG LYS A 79 7.424 -3.480 -3.201 1.00 71.15 C ATOM 1284 CD LYS A 79 8.530 -2.443 -2.904 1.00 74.13 C ATOM 1285 CE LYS A 79 9.500 -2.250 -4.080 1.00 42.33 C ATOM 1286 NZ LYS A 79 8.804 -1.806 -5.315 1.00 1.14 N ATOM 0 H LYS A 79 5.150 -4.519 -0.117 1.00 71.22 H new ATOM 0 HA LYS A 79 4.664 -4.174 -2.843 1.00 73.22 H new ATOM 0 HB2 LYS A 79 6.280 -2.901 -1.469 1.00 44.34 H new ATOM 0 HB3 LYS A 79 7.251 -4.341 -1.233 1.00 44.34 H new ATOM 0 HG2 LYS A 79 7.877 -4.388 -3.600 1.00 71.15 H new ATOM 0 HG3 LYS A 79 6.759 -3.090 -3.972 1.00 71.15 H new ATOM 0 HD2 LYS A 79 8.068 -1.486 -2.660 1.00 74.13 H new ATOM 0 HD3 LYS A 79 9.091 -2.760 -2.025 1.00 74.13 H new ATOM 0 HE2 LYS A 79 10.257 -1.515 -3.807 1.00 42.33 H new ATOM 0 HE3 LYS A 79 10.022 -3.187 -4.276 1.00 42.33 H new ATOM 0 HZ1 LYS A 79 9.256 -2.241 -6.144 1.00 1.14 H new ATOM 0 HZ2 LYS A 79 7.806 -2.095 -5.274 1.00 1.14 H new ATOM 0 HZ3 LYS A 79 8.862 -0.771 -5.393 1.00 1.14 H new ATOM 1300 N GLY A 80 6.397 -6.948 -2.198 1.00 55.44 N ATOM 1301 CA GLY A 80 6.799 -8.246 -2.762 1.00 24.22 C ATOM 1302 C GLY A 80 5.622 -9.173 -3.076 1.00 44.43 C ATOM 1303 O GLY A 80 5.540 -9.735 -4.179 1.00 33.23 O ATOM 0 H GLY A 80 6.677 -6.812 -1.227 1.00 55.44 H new ATOM 0 HA2 GLY A 80 7.368 -8.074 -3.676 1.00 24.22 H new ATOM 0 HA3 GLY A 80 7.466 -8.746 -2.060 1.00 24.22 H new ATOM 1307 N LEU A 81 4.696 -9.303 -2.108 1.00 1.10 N ATOM 1308 CA LEU A 81 3.548 -10.234 -2.185 1.00 21.15 C ATOM 1309 C LEU A 81 2.606 -9.820 -3.329 1.00 62.44 C ATOM 1310 O LEU A 81 2.284 -10.632 -4.199 1.00 1.54 O ATOM 1311 CB LEU A 81 2.821 -10.253 -0.806 1.00 63.04 C ATOM 1312 CG LEU A 81 1.757 -11.382 -0.525 1.00 0.12 C ATOM 1313 CD1 LEU A 81 1.475 -11.488 0.984 1.00 44.12 C ATOM 1314 CD2 LEU A 81 0.424 -11.160 -1.284 1.00 15.31 C ATOM 0 H LEU A 81 4.721 -8.763 -1.243 1.00 1.10 H new ATOM 0 HA LEU A 81 3.893 -11.244 -2.405 1.00 21.15 H new ATOM 0 HB2 LEU A 81 3.585 -10.319 -0.031 1.00 63.04 H new ATOM 0 HB3 LEU A 81 2.323 -9.291 -0.682 1.00 63.04 H new ATOM 0 HG LEU A 81 2.190 -12.312 -0.893 1.00 0.12 H new ATOM 0 HD11 LEU A 81 0.739 -12.272 1.162 1.00 44.12 H new ATOM 0 HD12 LEU A 81 2.398 -11.731 1.510 1.00 44.12 H new ATOM 0 HD13 LEU A 81 1.088 -10.537 1.350 1.00 44.12 H new ATOM 0 HD21 LEU A 81 -0.267 -11.970 -1.050 1.00 15.31 H new ATOM 0 HD22 LEU A 81 -0.014 -10.209 -0.980 1.00 15.31 H new ATOM 0 HD23 LEU A 81 0.615 -11.145 -2.357 1.00 15.31 H new ATOM 1326 N LEU A 82 2.182 -8.542 -3.306 1.00 44.23 N ATOM 1327 CA LEU A 82 1.267 -7.975 -4.305 1.00 71.22 C ATOM 1328 C LEU A 82 1.928 -7.942 -5.696 1.00 64.23 C ATOM 1329 O LEU A 82 1.230 -8.052 -6.686 1.00 40.22 O ATOM 1330 CB LEU A 82 0.774 -6.555 -3.891 1.00 62.35 C ATOM 1331 CG LEU A 82 0.094 -6.430 -2.488 1.00 11.13 C ATOM 1332 CD1 LEU A 82 -0.398 -4.987 -2.232 1.00 13.24 C ATOM 1333 CD2 LEU A 82 -1.035 -7.459 -2.304 1.00 42.41 C ATOM 0 H LEU A 82 2.468 -7.874 -2.590 1.00 44.23 H new ATOM 0 HA LEU A 82 0.393 -8.624 -4.356 1.00 71.22 H new ATOM 0 HB2 LEU A 82 1.627 -5.877 -3.917 1.00 62.35 H new ATOM 0 HB3 LEU A 82 0.067 -6.207 -4.644 1.00 62.35 H new ATOM 0 HG LEU A 82 0.851 -6.657 -1.737 1.00 11.13 H new ATOM 0 HD11 LEU A 82 -0.866 -4.931 -1.249 1.00 13.24 H new ATOM 0 HD12 LEU A 82 0.449 -4.302 -2.270 1.00 13.24 H new ATOM 0 HD13 LEU A 82 -1.124 -4.709 -2.996 1.00 13.24 H new ATOM 0 HD21 LEU A 82 -1.480 -7.338 -1.317 1.00 42.41 H new ATOM 0 HD22 LEU A 82 -1.797 -7.303 -3.068 1.00 42.41 H new ATOM 0 HD23 LEU A 82 -0.628 -8.466 -2.397 1.00 42.41 H new ATOM 1345 N GLN A 83 3.278 -7.796 -5.752 1.00 22.23 N ATOM 1346 CA GLN A 83 4.042 -7.840 -7.028 1.00 44.23 C ATOM 1347 C GLN A 83 3.878 -9.211 -7.708 1.00 22.53 C ATOM 1348 O GLN A 83 3.701 -9.290 -8.934 1.00 35.21 O ATOM 1349 CB GLN A 83 5.544 -7.542 -6.779 1.00 45.51 C ATOM 1350 CG GLN A 83 6.417 -7.447 -8.043 1.00 71.31 C ATOM 1351 CD GLN A 83 7.914 -7.272 -7.758 1.00 1.14 C ATOM 1352 OE1 GLN A 83 8.410 -7.869 -6.676 1.00 11.52 O flip ATOM 1353 NE2 GLN A 83 8.632 -6.635 -8.533 1.00 50.53 N flip ATOM 0 H GLN A 83 3.860 -7.647 -4.928 1.00 22.23 H new ATOM 0 HA GLN A 83 3.642 -7.072 -7.690 1.00 44.23 H new ATOM 0 HB2 GLN A 83 5.625 -6.603 -6.231 1.00 45.51 H new ATOM 0 HB3 GLN A 83 5.950 -8.323 -6.136 1.00 45.51 H new ATOM 0 HG2 GLN A 83 6.274 -8.349 -8.639 1.00 71.31 H new ATOM 0 HG3 GLN A 83 6.073 -6.608 -8.647 1.00 71.31 H new ATOM 0 HE21 GLN A 83 8.225 -6.188 -9.354 1.00 50.53 H new ATOM 0 HE22 GLN A 83 9.633 -6.556 -8.352 1.00 50.53 H new ATOM 1362 N GLN A 84 3.933 -10.280 -6.885 1.00 40.14 N ATOM 1363 CA GLN A 84 3.667 -11.658 -7.335 1.00 51.23 C ATOM 1364 C GLN A 84 2.226 -11.794 -7.850 1.00 70.34 C ATOM 1365 O GLN A 84 2.005 -12.349 -8.925 1.00 52.23 O ATOM 1366 CB GLN A 84 3.920 -12.662 -6.186 1.00 35.42 C ATOM 1367 CG GLN A 84 5.388 -12.727 -5.732 1.00 55.12 C ATOM 1368 CD GLN A 84 5.662 -13.728 -4.609 1.00 75.13 C ATOM 1369 OE1 GLN A 84 4.934 -14.840 -4.576 1.00 52.32 O flip ATOM 1370 NE2 GLN A 84 6.557 -13.515 -3.789 1.00 52.44 N flip ATOM 0 H GLN A 84 4.162 -10.210 -5.894 1.00 40.14 H new ATOM 0 HA GLN A 84 4.349 -11.885 -8.154 1.00 51.23 H new ATOM 0 HB2 GLN A 84 3.297 -12.389 -5.334 1.00 35.42 H new ATOM 0 HB3 GLN A 84 3.604 -13.655 -6.507 1.00 35.42 H new ATOM 0 HG2 GLN A 84 6.009 -12.984 -6.590 1.00 55.12 H new ATOM 0 HG3 GLN A 84 5.697 -11.735 -5.401 1.00 55.12 H new ATOM 0 HE21 GLN A 84 7.100 -12.653 -3.839 1.00 52.44 H new ATOM 0 HE22 GLN A 84 6.755 -14.201 -3.061 1.00 52.44 H new ATOM 1379 N ARG A 85 1.263 -11.234 -7.082 1.00 73.00 N ATOM 1380 CA ARG A 85 -0.178 -11.299 -7.410 1.00 3.54 C ATOM 1381 C ARG A 85 -0.470 -10.622 -8.756 1.00 74.53 C ATOM 1382 O ARG A 85 -1.145 -11.200 -9.600 1.00 22.14 O ATOM 1383 CB ARG A 85 -1.042 -10.656 -6.289 1.00 55.53 C ATOM 1384 CG ARG A 85 -0.840 -11.248 -4.880 1.00 25.22 C ATOM 1385 CD ARG A 85 -1.210 -12.742 -4.751 1.00 64.43 C ATOM 1386 NE ARG A 85 -0.236 -13.659 -5.364 1.00 54.41 N ATOM 1387 CZ ARG A 85 0.621 -14.447 -4.694 1.00 41.24 C ATOM 1388 NH1 ARG A 85 0.657 -14.466 -3.364 1.00 31.44 N ATOM 1389 NH2 ARG A 85 1.420 -15.251 -5.371 1.00 25.41 N ATOM 0 H ARG A 85 1.463 -10.726 -6.220 1.00 73.00 H new ATOM 0 HA ARG A 85 -0.445 -12.353 -7.487 1.00 3.54 H new ATOM 0 HB2 ARG A 85 -0.823 -9.589 -6.252 1.00 55.53 H new ATOM 0 HB3 ARG A 85 -2.093 -10.757 -6.560 1.00 55.53 H new ATOM 0 HG2 ARG A 85 0.204 -11.120 -4.592 1.00 25.22 H new ATOM 0 HG3 ARG A 85 -1.439 -10.676 -4.171 1.00 25.22 H new ATOM 0 HD2 ARG A 85 -1.311 -12.990 -3.694 1.00 64.43 H new ATOM 0 HD3 ARG A 85 -2.185 -12.905 -5.211 1.00 64.43 H new ATOM 0 HE ARG A 85 -0.209 -13.700 -6.383 1.00 54.41 H new ATOM 0 HH11 ARG A 85 0.024 -13.873 -2.828 1.00 31.44 H new ATOM 0 HH12 ARG A 85 1.318 -15.074 -2.880 1.00 31.44 H new ATOM 0 HH21 ARG A 85 1.382 -15.268 -6.390 1.00 25.41 H new ATOM 0 HH22 ARG A 85 2.076 -15.855 -4.875 1.00 25.41 H new ATOM 1403 N LEU A 86 0.094 -9.413 -8.942 1.00 5.45 N ATOM 1404 CA LEU A 86 -0.083 -8.599 -10.163 1.00 5.31 C ATOM 1405 C LEU A 86 0.530 -9.290 -11.385 1.00 52.41 C ATOM 1406 O LEU A 86 -0.029 -9.225 -12.472 1.00 71.42 O ATOM 1407 CB LEU A 86 0.539 -7.179 -9.989 1.00 72.44 C ATOM 1408 CG LEU A 86 -0.132 -6.264 -8.921 1.00 32.32 C ATOM 1409 CD1 LEU A 86 0.543 -4.878 -8.863 1.00 4.53 C ATOM 1410 CD2 LEU A 86 -1.646 -6.146 -9.166 1.00 31.32 C ATOM 0 H LEU A 86 0.691 -8.969 -8.244 1.00 5.45 H new ATOM 0 HA LEU A 86 -1.155 -8.492 -10.326 1.00 5.31 H new ATOM 0 HB2 LEU A 86 1.591 -7.295 -9.730 1.00 72.44 H new ATOM 0 HB3 LEU A 86 0.502 -6.668 -10.951 1.00 72.44 H new ATOM 0 HG LEU A 86 0.008 -6.732 -7.947 1.00 32.32 H new ATOM 0 HD11 LEU A 86 0.051 -4.265 -8.108 1.00 4.53 H new ATOM 0 HD12 LEU A 86 1.595 -4.996 -8.605 1.00 4.53 H new ATOM 0 HD13 LEU A 86 0.460 -4.392 -9.835 1.00 4.53 H new ATOM 0 HD21 LEU A 86 -2.088 -5.502 -8.406 1.00 31.32 H new ATOM 0 HD22 LEU A 86 -1.823 -5.718 -10.153 1.00 31.32 H new ATOM 0 HD23 LEU A 86 -2.101 -7.135 -9.113 1.00 31.32 H new ATOM 1422 N ASP A 87 1.675 -9.954 -11.171 1.00 24.54 N ATOM 1423 CA ASP A 87 2.405 -10.683 -12.229 1.00 3.23 C ATOM 1424 C ASP A 87 1.557 -11.859 -12.766 1.00 75.43 C ATOM 1425 O ASP A 87 1.478 -12.092 -13.982 1.00 43.10 O ATOM 1426 CB ASP A 87 3.761 -11.192 -11.671 1.00 1.33 C ATOM 1427 CG ASP A 87 4.657 -11.832 -12.744 1.00 73.30 C ATOM 1428 OD1 ASP A 87 4.669 -13.074 -12.872 1.00 21.21 O ATOM 1429 OD2 ASP A 87 5.354 -11.090 -13.469 1.00 42.43 O ATOM 0 H ASP A 87 2.126 -10.003 -10.257 1.00 24.54 H new ATOM 0 HA ASP A 87 2.598 -10.004 -13.060 1.00 3.23 H new ATOM 0 HB2 ASP A 87 4.293 -10.359 -11.212 1.00 1.33 H new ATOM 0 HB3 ASP A 87 3.571 -11.921 -10.883 1.00 1.33 H new ATOM 1434 N GLU A 88 0.907 -12.569 -11.826 1.00 71.50 N ATOM 1435 CA GLU A 88 0.031 -13.716 -12.127 1.00 52.53 C ATOM 1436 C GLU A 88 -1.255 -13.249 -12.814 1.00 11.23 C ATOM 1437 O GLU A 88 -1.654 -13.825 -13.825 1.00 12.10 O ATOM 1438 CB GLU A 88 -0.283 -14.479 -10.824 1.00 43.43 C ATOM 1439 CG GLU A 88 0.979 -15.041 -10.137 1.00 61.01 C ATOM 1440 CD GLU A 88 0.748 -15.545 -8.708 1.00 10.14 C ATOM 1441 OE1 GLU A 88 1.382 -16.536 -8.299 1.00 23.22 O ATOM 1442 OE2 GLU A 88 -0.049 -14.932 -7.976 1.00 2.44 O ATOM 0 H GLU A 88 0.975 -12.362 -10.830 1.00 71.50 H new ATOM 0 HA GLU A 88 0.545 -14.389 -12.814 1.00 52.53 H new ATOM 0 HB2 GLU A 88 -0.799 -13.812 -10.134 1.00 43.43 H new ATOM 0 HB3 GLU A 88 -0.966 -15.299 -11.045 1.00 43.43 H new ATOM 0 HG2 GLU A 88 1.372 -15.860 -10.739 1.00 61.01 H new ATOM 0 HG3 GLU A 88 1.744 -14.264 -10.117 1.00 61.01 H new ATOM 1449 N LEU A 89 -1.876 -12.182 -12.276 1.00 1.22 N ATOM 1450 CA LEU A 89 -3.090 -11.579 -12.868 1.00 12.33 C ATOM 1451 C LEU A 89 -2.800 -11.042 -14.281 1.00 0.53 C ATOM 1452 O LEU A 89 -3.638 -11.162 -15.167 1.00 24.51 O ATOM 1453 CB LEU A 89 -3.654 -10.447 -11.960 1.00 44.24 C ATOM 1454 CG LEU A 89 -4.155 -10.888 -10.548 1.00 11.53 C ATOM 1455 CD1 LEU A 89 -4.574 -9.670 -9.700 1.00 4.13 C ATOM 1456 CD2 LEU A 89 -5.296 -11.923 -10.652 1.00 64.34 C ATOM 0 H LEU A 89 -1.556 -11.716 -11.427 1.00 1.22 H new ATOM 0 HA LEU A 89 -3.846 -12.360 -12.944 1.00 12.33 H new ATOM 0 HB2 LEU A 89 -2.878 -9.693 -11.829 1.00 44.24 H new ATOM 0 HB3 LEU A 89 -4.481 -9.966 -12.483 1.00 44.24 H new ATOM 0 HG LEU A 89 -3.322 -11.373 -10.039 1.00 11.53 H new ATOM 0 HD11 LEU A 89 -4.918 -10.008 -8.723 1.00 4.13 H new ATOM 0 HD12 LEU A 89 -3.721 -9.004 -9.574 1.00 4.13 H new ATOM 0 HD13 LEU A 89 -5.380 -9.136 -10.204 1.00 4.13 H new ATOM 0 HD21 LEU A 89 -5.621 -12.208 -9.651 1.00 64.34 H new ATOM 0 HD22 LEU A 89 -6.134 -11.487 -11.195 1.00 64.34 H new ATOM 0 HD23 LEU A 89 -4.939 -12.806 -11.183 1.00 64.34 H new ATOM 1468 N SER A 90 -1.582 -10.505 -14.476 1.00 3.05 N ATOM 1469 CA SER A 90 -1.133 -9.946 -15.765 1.00 51.13 C ATOM 1470 C SER A 90 -1.050 -11.056 -16.829 1.00 51.22 C ATOM 1471 O SER A 90 -1.489 -10.858 -17.967 1.00 62.14 O ATOM 1472 CB SER A 90 0.238 -9.244 -15.606 1.00 51.23 C ATOM 1473 OG SER A 90 0.642 -8.595 -16.804 1.00 73.04 O ATOM 0 H SER A 90 -0.878 -10.446 -13.740 1.00 3.05 H new ATOM 0 HA SER A 90 -1.861 -9.204 -16.093 1.00 51.13 H new ATOM 0 HB2 SER A 90 0.181 -8.514 -14.799 1.00 51.23 H new ATOM 0 HB3 SER A 90 0.991 -9.978 -15.319 1.00 51.23 H new ATOM 0 HG SER A 90 1.510 -8.162 -16.665 1.00 73.04 H new ATOM 1479 N SER A 91 -0.490 -12.226 -16.443 1.00 3.10 N ATOM 1480 CA SER A 91 -0.387 -13.387 -17.343 1.00 74.15 C ATOM 1481 C SER A 91 -1.777 -13.990 -17.630 1.00 54.30 C ATOM 1482 O SER A 91 -2.017 -14.475 -18.737 1.00 21.44 O ATOM 1483 CB SER A 91 0.581 -14.448 -16.769 1.00 24.41 C ATOM 1484 OG SER A 91 0.230 -14.834 -15.454 1.00 22.33 O ATOM 0 H SER A 91 -0.104 -12.386 -15.513 1.00 3.10 H new ATOM 0 HA SER A 91 0.025 -13.043 -18.292 1.00 74.15 H new ATOM 0 HB2 SER A 91 0.581 -15.325 -17.416 1.00 24.41 H new ATOM 0 HB3 SER A 91 1.596 -14.051 -16.771 1.00 24.41 H new ATOM 0 HG SER A 91 -0.561 -14.333 -15.166 1.00 22.33 H new ATOM 1490 N LEU A 92 -2.695 -13.934 -16.629 1.00 11.52 N ATOM 1491 CA LEU A 92 -4.085 -14.417 -16.787 1.00 54.04 C ATOM 1492 C LEU A 92 -4.816 -13.578 -17.852 1.00 50.11 C ATOM 1493 O LEU A 92 -5.176 -14.103 -18.913 1.00 13.22 O ATOM 1494 CB LEU A 92 -4.854 -14.377 -15.428 1.00 73.14 C ATOM 1495 CG LEU A 92 -4.337 -15.342 -14.314 1.00 42.41 C ATOM 1496 CD1 LEU A 92 -5.110 -15.144 -12.994 1.00 31.33 C ATOM 1497 CD2 LEU A 92 -4.379 -16.810 -14.780 1.00 74.44 C ATOM 0 H LEU A 92 -2.492 -13.557 -15.703 1.00 11.52 H new ATOM 0 HA LEU A 92 -4.053 -15.455 -17.117 1.00 54.04 H new ATOM 0 HB2 LEU A 92 -4.816 -13.358 -15.043 1.00 73.14 H new ATOM 0 HB3 LEU A 92 -5.902 -14.606 -15.621 1.00 73.14 H new ATOM 0 HG LEU A 92 -3.294 -15.091 -14.120 1.00 42.41 H new ATOM 0 HD11 LEU A 92 -4.725 -15.831 -12.240 1.00 31.33 H new ATOM 0 HD12 LEU A 92 -4.983 -14.118 -12.648 1.00 31.33 H new ATOM 0 HD13 LEU A 92 -6.169 -15.343 -13.159 1.00 31.33 H new ATOM 0 HD21 LEU A 92 -4.013 -17.456 -13.982 1.00 74.44 H new ATOM 0 HD22 LEU A 92 -5.405 -17.084 -15.027 1.00 74.44 H new ATOM 0 HD23 LEU A 92 -3.749 -16.930 -15.662 1.00 74.44 H new ATOM 1509 N ILE A 93 -4.947 -12.257 -17.563 1.00 41.22 N ATOM 1510 CA ILE A 93 -5.634 -11.270 -18.430 1.00 64.34 C ATOM 1511 C ILE A 93 -5.045 -11.274 -19.849 1.00 0.24 C ATOM 1512 O ILE A 93 -5.783 -11.318 -20.823 1.00 71.13 O ATOM 1513 CB ILE A 93 -5.518 -9.803 -17.847 1.00 75.05 C ATOM 1514 CG1 ILE A 93 -6.082 -9.720 -16.399 1.00 13.33 C ATOM 1515 CG2 ILE A 93 -6.229 -8.769 -18.765 1.00 23.45 C ATOM 1516 CD1 ILE A 93 -5.772 -8.413 -15.683 1.00 73.15 C ATOM 0 H ILE A 93 -4.572 -11.844 -16.709 1.00 41.22 H new ATOM 0 HA ILE A 93 -6.683 -11.565 -18.464 1.00 64.34 H new ATOM 0 HB ILE A 93 -4.457 -9.555 -17.813 1.00 75.05 H new ATOM 0 HG12 ILE A 93 -7.163 -9.855 -16.434 1.00 13.33 H new ATOM 0 HG13 ILE A 93 -5.676 -10.546 -15.815 1.00 13.33 H new ATOM 0 HG21 ILE A 93 -6.130 -7.772 -18.335 1.00 23.45 H new ATOM 0 HG22 ILE A 93 -5.771 -8.785 -19.754 1.00 23.45 H new ATOM 0 HG23 ILE A 93 -7.285 -9.024 -18.850 1.00 23.45 H new ATOM 0 HD11 ILE A 93 -6.200 -8.437 -14.681 1.00 73.15 H new ATOM 0 HD12 ILE A 93 -4.692 -8.284 -15.613 1.00 73.15 H new ATOM 0 HD13 ILE A 93 -6.202 -7.581 -16.241 1.00 73.15 H new ATOM 1528 N GLY A 94 -3.703 -11.258 -19.923 1.00 75.22 N ATOM 1529 CA GLY A 94 -2.983 -11.141 -21.186 1.00 61.42 C ATOM 1530 C GLY A 94 -3.333 -12.228 -22.204 1.00 61.23 C ATOM 1531 O GLY A 94 -3.437 -11.950 -23.405 1.00 2.44 O ATOM 0 H GLY A 94 -3.095 -11.326 -19.106 1.00 75.22 H new ATOM 0 HA2 GLY A 94 -3.194 -10.166 -21.624 1.00 61.42 H new ATOM 0 HA3 GLY A 94 -1.912 -11.175 -20.987 1.00 61.42 H new ATOM 1535 N GLN A 95 -3.539 -13.464 -21.708 1.00 52.03 N ATOM 1536 CA GLN A 95 -3.819 -14.634 -22.561 1.00 43.43 C ATOM 1537 C GLN A 95 -5.326 -14.757 -22.885 1.00 15.24 C ATOM 1538 O GLN A 95 -5.696 -15.067 -24.029 1.00 13.11 O ATOM 1539 CB GLN A 95 -3.297 -15.935 -21.888 1.00 15.33 C ATOM 1540 CG GLN A 95 -1.780 -15.941 -21.578 1.00 64.14 C ATOM 1541 CD GLN A 95 -0.889 -15.697 -22.805 1.00 65.01 C ATOM 1542 OE1 GLN A 95 -0.534 -14.559 -23.128 1.00 43.35 O ATOM 1543 NE2 GLN A 95 -0.517 -16.758 -23.497 1.00 5.43 N ATOM 0 H GLN A 95 -3.516 -13.678 -20.711 1.00 52.03 H new ATOM 0 HA GLN A 95 -3.291 -14.490 -23.504 1.00 43.43 H new ATOM 0 HB2 GLN A 95 -3.844 -16.091 -20.958 1.00 15.33 H new ATOM 0 HB3 GLN A 95 -3.524 -16.780 -22.538 1.00 15.33 H new ATOM 0 HG2 GLN A 95 -1.569 -15.175 -20.831 1.00 64.14 H new ATOM 0 HG3 GLN A 95 -1.514 -16.901 -21.134 1.00 64.14 H new ATOM 0 HE21 GLN A 95 -0.824 -17.687 -23.210 1.00 5.43 H new ATOM 0 HE22 GLN A 95 0.077 -16.648 -24.319 1.00 5.43 H new ATOM 1552 N VAL A 96 -6.193 -14.517 -21.877 1.00 25.32 N ATOM 1553 CA VAL A 96 -7.656 -14.739 -22.015 1.00 42.30 C ATOM 1554 C VAL A 96 -8.362 -13.557 -22.719 1.00 55.10 C ATOM 1555 O VAL A 96 -9.295 -13.775 -23.491 1.00 13.44 O ATOM 1556 CB VAL A 96 -8.356 -15.067 -20.636 1.00 10.43 C ATOM 1557 CG1 VAL A 96 -7.818 -16.389 -20.039 1.00 62.11 C ATOM 1558 CG2 VAL A 96 -8.223 -13.908 -19.623 1.00 71.41 C ATOM 0 H VAL A 96 -5.910 -14.171 -20.960 1.00 25.32 H new ATOM 0 HA VAL A 96 -7.762 -15.619 -22.650 1.00 42.30 H new ATOM 0 HB VAL A 96 -9.419 -15.192 -20.841 1.00 10.43 H new ATOM 0 HG11 VAL A 96 -8.317 -16.590 -19.091 1.00 62.11 H new ATOM 0 HG12 VAL A 96 -8.013 -17.207 -20.732 1.00 62.11 H new ATOM 0 HG13 VAL A 96 -6.744 -16.303 -19.873 1.00 62.11 H new ATOM 0 HG21 VAL A 96 -8.719 -14.180 -18.691 1.00 71.41 H new ATOM 0 HG22 VAL A 96 -7.168 -13.714 -19.429 1.00 71.41 H new ATOM 0 HG23 VAL A 96 -8.688 -13.011 -20.033 1.00 71.41 H new ATOM 1568 N LEU A 97 -7.901 -12.318 -22.464 1.00 21.31 N ATOM 1569 CA LEU A 97 -8.486 -11.103 -23.072 1.00 74.45 C ATOM 1570 C LEU A 97 -8.006 -11.024 -24.534 1.00 21.52 C ATOM 1571 O LEU A 97 -6.806 -10.863 -24.794 1.00 44.04 O ATOM 1572 CB LEU A 97 -8.072 -9.809 -22.283 1.00 13.42 C ATOM 1573 CG LEU A 97 -9.027 -8.554 -22.361 1.00 43.22 C ATOM 1574 CD1 LEU A 97 -8.427 -7.360 -21.590 1.00 40.42 C ATOM 1575 CD2 LEU A 97 -9.402 -8.136 -23.800 1.00 64.41 C ATOM 0 H LEU A 97 -7.119 -12.129 -21.837 1.00 21.31 H new ATOM 0 HA LEU A 97 -9.574 -11.163 -23.032 1.00 74.45 H new ATOM 0 HB2 LEU A 97 -7.962 -10.080 -21.233 1.00 13.42 H new ATOM 0 HB3 LEU A 97 -7.088 -9.502 -22.638 1.00 13.42 H new ATOM 0 HG LEU A 97 -9.958 -8.864 -21.887 1.00 43.22 H new ATOM 0 HD11 LEU A 97 -9.102 -6.507 -21.658 1.00 40.42 H new ATOM 0 HD12 LEU A 97 -8.292 -7.634 -20.544 1.00 40.42 H new ATOM 0 HD13 LEU A 97 -7.463 -7.095 -22.023 1.00 40.42 H new ATOM 0 HD21 LEU A 97 -10.060 -7.267 -23.767 1.00 64.41 H new ATOM 0 HD22 LEU A 97 -8.497 -7.885 -24.354 1.00 64.41 H new ATOM 0 HD23 LEU A 97 -9.914 -8.960 -24.296 1.00 64.41 H new ATOM 1830 N ILE A 429 -16.302 -14.893 -20.109 1.00 74.02 N ATOM 1831 CA ILE A 429 -14.882 -14.610 -20.393 1.00 42.34 C ATOM 1832 C ILE A 429 -14.577 -13.120 -20.103 1.00 71.14 C ATOM 1833 O ILE A 429 -13.559 -12.792 -19.500 1.00 51.13 O ATOM 1834 CB ILE A 429 -14.507 -15.036 -21.887 1.00 23.53 C ATOM 1835 CG1 ILE A 429 -12.953 -14.978 -22.186 1.00 51.32 C ATOM 1836 CG2 ILE A 429 -15.312 -14.227 -22.934 1.00 1.52 C ATOM 1837 CD1 ILE A 429 -12.379 -13.616 -22.550 1.00 74.42 C ATOM 0 HA ILE A 429 -14.252 -15.208 -19.734 1.00 42.34 H new ATOM 0 HB ILE A 429 -14.795 -16.084 -21.976 1.00 23.53 H new ATOM 0 HG12 ILE A 429 -12.423 -15.347 -21.308 1.00 51.32 H new ATOM 0 HG13 ILE A 429 -12.737 -15.668 -23.002 1.00 51.32 H new ATOM 0 HG21 ILE A 429 -15.028 -14.546 -23.937 1.00 1.52 H new ATOM 0 HG22 ILE A 429 -16.378 -14.400 -22.786 1.00 1.52 H new ATOM 0 HG23 ILE A 429 -15.097 -13.165 -22.817 1.00 1.52 H new ATOM 0 HD11 ILE A 429 -11.308 -13.709 -22.731 1.00 74.42 H new ATOM 0 HD12 ILE A 429 -12.868 -13.244 -23.450 1.00 74.42 H new ATOM 0 HD13 ILE A 429 -12.549 -12.918 -21.730 1.00 74.42 H new ATOM 1849 N ASP A 430 -15.513 -12.232 -20.492 1.00 14.11 N ATOM 1850 CA ASP A 430 -15.409 -10.786 -20.247 1.00 3.52 C ATOM 1851 C ASP A 430 -15.408 -10.474 -18.743 1.00 54.12 C ATOM 1852 O ASP A 430 -14.573 -9.704 -18.260 1.00 12.00 O ATOM 1853 CB ASP A 430 -16.580 -10.056 -20.936 1.00 74.42 C ATOM 1854 CG ASP A 430 -16.650 -8.558 -20.579 1.00 63.53 C ATOM 1855 OD1 ASP A 430 -15.731 -7.812 -20.962 1.00 53.21 O ATOM 1856 OD2 ASP A 430 -17.617 -8.126 -19.906 1.00 70.14 O ATOM 0 H ASP A 430 -16.364 -12.502 -20.986 1.00 14.11 H new ATOM 0 HA ASP A 430 -14.464 -10.436 -20.664 1.00 3.52 H new ATOM 0 HB2 ASP A 430 -16.482 -10.162 -22.016 1.00 74.42 H new ATOM 0 HB3 ASP A 430 -17.517 -10.536 -20.653 1.00 74.42 H new ATOM 1861 N GLU A 431 -16.353 -11.101 -18.026 1.00 52.14 N ATOM 1862 CA GLU A 431 -16.607 -10.829 -16.606 1.00 40.21 C ATOM 1863 C GLU A 431 -15.471 -11.355 -15.713 1.00 70.43 C ATOM 1864 O GLU A 431 -15.111 -10.698 -14.737 1.00 2.52 O ATOM 1865 CB GLU A 431 -17.985 -11.404 -16.198 1.00 4.14 C ATOM 1866 CG GLU A 431 -19.161 -10.801 -16.999 1.00 30.33 C ATOM 1867 CD GLU A 431 -20.519 -11.379 -16.593 1.00 44.20 C ATOM 1868 OE1 GLU A 431 -20.932 -12.407 -17.169 1.00 0.40 O ATOM 1869 OE2 GLU A 431 -21.175 -10.822 -15.683 1.00 73.25 O ATOM 0 H GLU A 431 -16.966 -11.815 -18.419 1.00 52.14 H new ATOM 0 HA GLU A 431 -16.633 -9.749 -16.458 1.00 40.21 H new ATOM 0 HB2 GLU A 431 -17.976 -12.485 -16.338 1.00 4.14 H new ATOM 0 HB3 GLU A 431 -18.147 -11.222 -15.136 1.00 4.14 H new ATOM 0 HG2 GLU A 431 -19.175 -9.720 -16.856 1.00 30.33 H new ATOM 0 HG3 GLU A 431 -18.999 -10.980 -18.062 1.00 30.33 H new ATOM 1876 N THR A 432 -14.870 -12.507 -16.083 1.00 52.22 N ATOM 1877 CA THR A 432 -13.743 -13.077 -15.327 1.00 2.33 C ATOM 1878 C THR A 432 -12.484 -12.206 -15.512 1.00 1.22 C ATOM 1879 O THR A 432 -11.743 -11.985 -14.547 1.00 65.31 O ATOM 1880 CB THR A 432 -13.461 -14.580 -15.690 1.00 23.24 C ATOM 1881 OG1 THR A 432 -12.486 -15.128 -14.786 1.00 2.24 O ATOM 1882 CG2 THR A 432 -12.975 -14.780 -17.133 1.00 44.42 C ATOM 0 H THR A 432 -15.148 -13.055 -16.897 1.00 52.22 H new ATOM 0 HA THR A 432 -14.023 -13.072 -14.274 1.00 2.33 H new ATOM 0 HB THR A 432 -14.414 -15.100 -15.596 1.00 23.24 H new ATOM 0 HG1 THR A 432 -11.601 -14.764 -14.999 1.00 2.24 H new ATOM 0 HG21 THR A 432 -12.800 -15.840 -17.314 1.00 44.42 H new ATOM 0 HG22 THR A 432 -13.732 -14.413 -17.826 1.00 44.42 H new ATOM 0 HG23 THR A 432 -12.047 -14.228 -17.284 1.00 44.42 H new ATOM 1890 N VAL A 433 -12.276 -11.684 -16.755 1.00 53.22 N ATOM 1891 CA VAL A 433 -11.222 -10.682 -17.040 1.00 4.34 C ATOM 1892 C VAL A 433 -11.443 -9.424 -16.185 1.00 4.45 C ATOM 1893 O VAL A 433 -10.492 -8.868 -15.643 1.00 32.13 O ATOM 1894 CB VAL A 433 -11.170 -10.274 -18.565 1.00 54.45 C ATOM 1895 CG1 VAL A 433 -10.189 -9.100 -18.814 1.00 31.51 C ATOM 1896 CG2 VAL A 433 -10.796 -11.479 -19.449 1.00 10.12 C ATOM 0 H VAL A 433 -12.828 -11.945 -17.572 1.00 53.22 H new ATOM 0 HA VAL A 433 -10.269 -11.147 -16.788 1.00 4.34 H new ATOM 0 HB VAL A 433 -12.170 -9.938 -18.839 1.00 54.45 H new ATOM 0 HG11 VAL A 433 -10.183 -8.850 -19.875 1.00 31.51 H new ATOM 0 HG12 VAL A 433 -10.508 -8.231 -18.238 1.00 31.51 H new ATOM 0 HG13 VAL A 433 -9.186 -9.392 -18.504 1.00 31.51 H new ATOM 0 HG21 VAL A 433 -10.768 -11.169 -20.494 1.00 10.12 H new ATOM 0 HG22 VAL A 433 -9.816 -11.855 -19.155 1.00 10.12 H new ATOM 0 HG23 VAL A 433 -11.539 -12.266 -19.324 1.00 10.12 H new ATOM 1906 N ALA A 434 -12.721 -9.016 -16.063 1.00 0.12 N ATOM 1907 CA ALA A 434 -13.131 -7.830 -15.297 1.00 31.44 C ATOM 1908 C ALA A 434 -12.776 -7.982 -13.811 1.00 34.42 C ATOM 1909 O ALA A 434 -12.406 -7.005 -13.165 1.00 1.10 O ATOM 1910 CB ALA A 434 -14.637 -7.577 -15.465 1.00 40.15 C ATOM 0 H ALA A 434 -13.502 -9.507 -16.498 1.00 0.12 H new ATOM 0 HA ALA A 434 -12.586 -6.971 -15.688 1.00 31.44 H new ATOM 0 HB1 ALA A 434 -14.924 -6.696 -14.892 1.00 40.15 H new ATOM 0 HB2 ALA A 434 -14.863 -7.414 -16.519 1.00 40.15 H new ATOM 0 HB3 ALA A 434 -15.194 -8.442 -15.104 1.00 40.15 H new ATOM 1916 N ARG A 435 -12.879 -9.222 -13.279 1.00 53.55 N ATOM 1917 CA ARG A 435 -12.523 -9.506 -11.877 1.00 11.53 C ATOM 1918 C ARG A 435 -11.001 -9.399 -11.686 1.00 71.22 C ATOM 1919 O ARG A 435 -10.541 -8.735 -10.758 1.00 51.24 O ATOM 1920 CB ARG A 435 -13.033 -10.906 -11.432 1.00 3.23 C ATOM 1921 CG ARG A 435 -14.534 -11.159 -11.708 1.00 23.33 C ATOM 1922 CD ARG A 435 -15.463 -10.016 -11.231 1.00 20.02 C ATOM 1923 NE ARG A 435 -16.844 -10.211 -11.711 1.00 31.24 N ATOM 1924 CZ ARG A 435 -17.570 -9.308 -12.391 1.00 0.10 C ATOM 1925 NH1 ARG A 435 -17.074 -8.102 -12.685 1.00 22.21 N ATOM 1926 NH2 ARG A 435 -18.792 -9.616 -12.787 1.00 72.44 N ATOM 0 H ARG A 435 -13.205 -10.036 -13.800 1.00 53.55 H new ATOM 0 HA ARG A 435 -13.012 -8.763 -11.247 1.00 11.53 H new ATOM 0 HB2 ARG A 435 -12.449 -11.671 -11.943 1.00 3.23 H new ATOM 0 HB3 ARG A 435 -12.848 -11.024 -10.364 1.00 3.23 H new ATOM 0 HG2 ARG A 435 -14.676 -11.306 -12.779 1.00 23.33 H new ATOM 0 HG3 ARG A 435 -14.832 -12.085 -11.216 1.00 23.33 H new ATOM 0 HD2 ARG A 435 -15.457 -9.971 -10.142 1.00 20.02 H new ATOM 0 HD3 ARG A 435 -15.082 -9.061 -11.592 1.00 20.02 H new ATOM 0 HE ARG A 435 -17.286 -11.108 -11.509 1.00 31.24 H new ATOM 0 HH11 ARG A 435 -16.129 -7.854 -12.392 1.00 22.21 H new ATOM 0 HH12 ARG A 435 -17.641 -7.430 -13.202 1.00 22.21 H new ATOM 0 HH21 ARG A 435 -19.180 -10.536 -12.576 1.00 72.44 H new ATOM 0 HH22 ARG A 435 -19.348 -8.934 -13.304 1.00 72.44 H new ATOM 1940 N TYR A 436 -10.236 -10.029 -12.609 1.00 25.22 N ATOM 1941 CA TYR A 436 -8.754 -10.020 -12.575 1.00 0.12 C ATOM 1942 C TYR A 436 -8.199 -8.596 -12.703 1.00 70.11 C ATOM 1943 O TYR A 436 -7.268 -8.228 -11.992 1.00 25.33 O ATOM 1944 CB TYR A 436 -8.152 -10.890 -13.707 1.00 71.41 C ATOM 1945 CG TYR A 436 -8.512 -12.376 -13.662 1.00 62.13 C ATOM 1946 CD1 TYR A 436 -8.492 -13.092 -12.462 1.00 2.33 C ATOM 1947 CD2 TYR A 436 -8.848 -13.067 -14.829 1.00 25.41 C ATOM 1948 CE1 TYR A 436 -8.797 -14.441 -12.431 1.00 52.40 C ATOM 1949 CE2 TYR A 436 -9.156 -14.407 -14.801 1.00 21.52 C ATOM 1950 CZ TYR A 436 -9.129 -15.095 -13.605 1.00 51.30 C ATOM 1951 OH TYR A 436 -9.436 -16.442 -13.583 1.00 62.15 O ATOM 0 H TYR A 436 -10.625 -10.554 -13.392 1.00 25.22 H new ATOM 0 HA TYR A 436 -8.466 -10.436 -11.610 1.00 0.12 H new ATOM 0 HB2 TYR A 436 -8.478 -10.485 -14.665 1.00 71.41 H new ATOM 0 HB3 TYR A 436 -7.067 -10.796 -13.674 1.00 71.41 H new ATOM 0 HD1 TYR A 436 -8.234 -12.584 -11.544 1.00 2.33 H new ATOM 0 HD2 TYR A 436 -8.866 -12.539 -15.771 1.00 25.41 H new ATOM 0 HE1 TYR A 436 -8.776 -14.981 -11.496 1.00 52.40 H new ATOM 0 HE2 TYR A 436 -9.419 -14.920 -15.714 1.00 21.52 H new ATOM 0 HH TYR A 436 -9.647 -16.744 -14.491 1.00 62.15 H new ATOM 1961 N LYS A 437 -8.795 -7.817 -13.624 1.00 33.32 N ATOM 1962 CA LYS A 437 -8.354 -6.453 -13.942 1.00 73.24 C ATOM 1963 C LYS A 437 -8.733 -5.491 -12.817 1.00 73.34 C ATOM 1964 O LYS A 437 -8.030 -4.513 -12.582 1.00 52.53 O ATOM 1965 CB LYS A 437 -8.944 -5.968 -15.296 1.00 12.40 C ATOM 1966 CG LYS A 437 -8.371 -4.606 -15.750 1.00 14.40 C ATOM 1967 CD LYS A 437 -8.961 -4.091 -17.075 1.00 35.55 C ATOM 1968 CE LYS A 437 -8.327 -2.753 -17.495 1.00 22.21 C ATOM 1969 NZ LYS A 437 -8.421 -1.725 -16.417 1.00 65.21 N ATOM 0 H LYS A 437 -9.601 -8.121 -14.170 1.00 33.32 H new ATOM 0 HA LYS A 437 -7.268 -6.468 -14.038 1.00 73.24 H new ATOM 0 HB2 LYS A 437 -8.741 -6.715 -16.063 1.00 12.40 H new ATOM 0 HB3 LYS A 437 -10.027 -5.889 -15.207 1.00 12.40 H new ATOM 0 HG2 LYS A 437 -8.556 -3.867 -14.970 1.00 14.40 H new ATOM 0 HG3 LYS A 437 -7.290 -4.695 -15.855 1.00 14.40 H new ATOM 0 HD2 LYS A 437 -8.800 -4.832 -17.858 1.00 35.55 H new ATOM 0 HD3 LYS A 437 -10.039 -3.967 -16.970 1.00 35.55 H new ATOM 0 HE2 LYS A 437 -7.280 -2.913 -17.752 1.00 22.21 H new ATOM 0 HE3 LYS A 437 -8.823 -2.383 -18.392 1.00 22.21 H new ATOM 0 HZ1 LYS A 437 -8.155 -0.795 -16.800 1.00 65.21 H new ATOM 0 HZ2 LYS A 437 -9.397 -1.686 -16.059 1.00 65.21 H new ATOM 0 HZ3 LYS A 437 -7.777 -1.977 -15.640 1.00 65.21 H new ATOM 1983 N ALA A 438 -9.846 -5.782 -12.122 1.00 1.44 N ATOM 1984 CA ALA A 438 -10.250 -5.029 -10.928 1.00 43.10 C ATOM 1985 C ALA A 438 -9.175 -5.176 -9.846 1.00 21.32 C ATOM 1986 O ALA A 438 -8.624 -4.179 -9.375 1.00 64.30 O ATOM 1987 CB ALA A 438 -11.611 -5.504 -10.419 1.00 52.13 C ATOM 0 H ALA A 438 -10.483 -6.538 -12.371 1.00 1.44 H new ATOM 0 HA ALA A 438 -10.349 -3.975 -11.187 1.00 43.10 H new ATOM 0 HB1 ALA A 438 -11.889 -4.931 -9.534 1.00 52.13 H new ATOM 0 HB2 ALA A 438 -12.361 -5.358 -11.196 1.00 52.13 H new ATOM 0 HB3 ALA A 438 -11.555 -6.562 -10.163 1.00 52.13 H new ATOM 1993 N GLN A 439 -8.828 -6.444 -9.536 1.00 14.12 N ATOM 1994 CA GLN A 439 -7.805 -6.774 -8.534 1.00 43.54 C ATOM 1995 C GLN A 439 -6.438 -6.200 -8.958 1.00 31.21 C ATOM 1996 O GLN A 439 -5.690 -5.688 -8.126 1.00 12.42 O ATOM 1997 CB GLN A 439 -7.688 -8.315 -8.330 1.00 31.14 C ATOM 1998 CG GLN A 439 -9.004 -9.059 -8.023 1.00 34.51 C ATOM 1999 CD GLN A 439 -9.797 -8.477 -6.858 1.00 45.31 C ATOM 2000 OE1 GLN A 439 -9.588 -8.849 -5.706 1.00 51.23 O ATOM 2001 NE2 GLN A 439 -10.740 -7.585 -7.156 1.00 33.22 N ATOM 0 H GLN A 439 -9.251 -7.262 -9.975 1.00 14.12 H new ATOM 0 HA GLN A 439 -8.109 -6.325 -7.588 1.00 43.54 H new ATOM 0 HB2 GLN A 439 -7.250 -8.748 -9.229 1.00 31.14 H new ATOM 0 HB3 GLN A 439 -6.990 -8.501 -7.514 1.00 31.14 H new ATOM 0 HG2 GLN A 439 -9.630 -9.048 -8.915 1.00 34.51 H new ATOM 0 HG3 GLN A 439 -8.776 -10.103 -7.806 1.00 34.51 H new ATOM 0 HE21 GLN A 439 -10.885 -7.300 -8.125 1.00 33.22 H new ATOM 0 HE22 GLN A 439 -11.318 -7.187 -6.416 1.00 33.22 H new ATOM 2010 N PHE A 440 -6.158 -6.254 -10.278 1.00 14.11 N ATOM 2011 CA PHE A 440 -4.881 -5.803 -10.838 1.00 13.14 C ATOM 2012 C PHE A 440 -4.725 -4.287 -10.642 1.00 43.10 C ATOM 2013 O PHE A 440 -3.870 -3.862 -9.881 1.00 60.14 O ATOM 2014 CB PHE A 440 -4.760 -6.177 -12.347 1.00 5.22 C ATOM 2015 CG PHE A 440 -3.402 -5.830 -12.967 1.00 42.32 C ATOM 2016 CD1 PHE A 440 -2.328 -6.709 -12.858 1.00 0.22 C ATOM 2017 CD2 PHE A 440 -3.187 -4.614 -13.625 1.00 41.32 C ATOM 2018 CE1 PHE A 440 -1.092 -6.392 -13.392 1.00 13.50 C ATOM 2019 CE2 PHE A 440 -1.951 -4.303 -14.160 1.00 4.33 C ATOM 2020 CZ PHE A 440 -0.902 -5.189 -14.035 1.00 44.25 C ATOM 0 H PHE A 440 -6.811 -6.610 -10.976 1.00 14.11 H new ATOM 0 HA PHE A 440 -4.077 -6.313 -10.306 1.00 13.14 H new ATOM 0 HB2 PHE A 440 -4.938 -7.246 -12.461 1.00 5.22 H new ATOM 0 HB3 PHE A 440 -5.544 -5.662 -12.903 1.00 5.22 H new ATOM 0 HD1 PHE A 440 -2.462 -7.652 -12.349 1.00 0.22 H new ATOM 0 HD2 PHE A 440 -3.999 -3.908 -13.716 1.00 41.32 H new ATOM 0 HE1 PHE A 440 -0.273 -7.090 -13.304 1.00 13.50 H new ATOM 0 HE2 PHE A 440 -1.807 -3.365 -14.676 1.00 4.33 H new ATOM 0 HZ PHE A 440 0.067 -4.940 -14.441 1.00 44.25 H new ATOM 2030 N THR A 441 -5.628 -3.509 -11.275 1.00 71.51 N ATOM 2031 CA THR A 441 -5.554 -2.038 -11.348 1.00 43.11 C ATOM 2032 C THR A 441 -5.606 -1.376 -9.946 1.00 42.20 C ATOM 2033 O THR A 441 -4.913 -0.380 -9.699 1.00 21.51 O ATOM 2034 CB THR A 441 -6.691 -1.487 -12.282 1.00 51.21 C ATOM 2035 OG1 THR A 441 -6.575 -2.091 -13.587 1.00 21.22 O ATOM 2036 CG2 THR A 441 -6.645 0.042 -12.441 1.00 10.33 C ATOM 0 H THR A 441 -6.441 -3.893 -11.757 1.00 71.51 H new ATOM 0 HA THR A 441 -4.587 -1.775 -11.778 1.00 43.11 H new ATOM 0 HB THR A 441 -7.640 -1.743 -11.811 1.00 51.21 H new ATOM 0 HG1 THR A 441 -7.009 -2.970 -13.581 1.00 21.22 H new ATOM 0 HG21 THR A 441 -7.454 0.364 -13.097 1.00 10.33 H new ATOM 0 HG22 THR A 441 -6.760 0.513 -11.465 1.00 10.33 H new ATOM 0 HG23 THR A 441 -5.689 0.334 -12.874 1.00 10.33 H new ATOM 2044 N GLN A 442 -6.396 -1.966 -9.034 1.00 62.33 N ATOM 2045 CA GLN A 442 -6.535 -1.476 -7.644 1.00 54.32 C ATOM 2046 C GLN A 442 -5.248 -1.712 -6.830 1.00 74.44 C ATOM 2047 O GLN A 442 -4.750 -0.793 -6.172 1.00 35.33 O ATOM 2048 CB GLN A 442 -7.762 -2.144 -6.978 1.00 10.44 C ATOM 2049 CG GLN A 442 -9.100 -1.642 -7.560 1.00 65.43 C ATOM 2050 CD GLN A 442 -10.332 -2.409 -7.084 1.00 51.55 C ATOM 2051 OE1 GLN A 442 -10.214 -3.724 -6.942 1.00 40.42 O flip ATOM 2052 NE2 GLN A 442 -11.406 -1.828 -6.913 1.00 21.32 N flip ATOM 0 H GLN A 442 -6.957 -2.794 -9.234 1.00 62.33 H new ATOM 0 HA GLN A 442 -6.695 -0.398 -7.667 1.00 54.32 H new ATOM 0 HB2 GLN A 442 -7.697 -3.224 -7.106 1.00 10.44 H new ATOM 0 HB3 GLN A 442 -7.740 -1.948 -5.906 1.00 10.44 H new ATOM 0 HG2 GLN A 442 -9.221 -0.590 -7.301 1.00 65.43 H new ATOM 0 HG3 GLN A 442 -9.051 -1.699 -8.647 1.00 65.43 H new ATOM 0 HE21 GLN A 442 -11.463 -0.816 -7.030 1.00 21.32 H new ATOM 0 HE22 GLN A 442 -12.238 -2.359 -6.655 1.00 21.32 H new ATOM 2061 N LEU A 443 -4.695 -2.940 -6.899 1.00 74.53 N ATOM 2062 CA LEU A 443 -3.406 -3.276 -6.232 1.00 62.45 C ATOM 2063 C LEU A 443 -2.204 -2.615 -6.959 1.00 0.34 C ATOM 2064 O LEU A 443 -1.129 -2.459 -6.370 1.00 20.01 O ATOM 2065 CB LEU A 443 -3.209 -4.825 -6.123 1.00 4.11 C ATOM 2066 CG LEU A 443 -3.976 -5.587 -4.976 1.00 74.25 C ATOM 2067 CD1 LEU A 443 -5.498 -5.383 -5.029 1.00 52.44 C ATOM 2068 CD2 LEU A 443 -3.621 -7.091 -5.002 1.00 62.52 C ATOM 0 H LEU A 443 -5.115 -3.719 -7.407 1.00 74.53 H new ATOM 0 HA LEU A 443 -3.448 -2.872 -5.221 1.00 62.45 H new ATOM 0 HB2 LEU A 443 -3.505 -5.267 -7.074 1.00 4.11 H new ATOM 0 HB3 LEU A 443 -2.144 -5.019 -5.999 1.00 4.11 H new ATOM 0 HG LEU A 443 -3.644 -5.155 -4.032 1.00 74.25 H new ATOM 0 HD11 LEU A 443 -5.967 -5.933 -4.213 1.00 52.44 H new ATOM 0 HD12 LEU A 443 -5.727 -4.322 -4.930 1.00 52.44 H new ATOM 0 HD13 LEU A 443 -5.881 -5.749 -5.981 1.00 52.44 H new ATOM 0 HD21 LEU A 443 -4.158 -7.605 -4.205 1.00 62.52 H new ATOM 0 HD22 LEU A 443 -3.907 -7.516 -5.964 1.00 62.52 H new ATOM 0 HD23 LEU A 443 -2.548 -7.214 -4.855 1.00 62.52 H new ATOM 2080 N ASP A 444 -2.416 -2.227 -8.234 1.00 51.20 N ATOM 2081 CA ASP A 444 -1.392 -1.603 -9.107 1.00 63.44 C ATOM 2082 C ASP A 444 -1.188 -0.131 -8.724 1.00 52.40 C ATOM 2083 O ASP A 444 -0.045 0.328 -8.577 1.00 20.23 O ATOM 2084 CB ASP A 444 -1.812 -1.735 -10.603 1.00 53.21 C ATOM 2085 CG ASP A 444 -0.792 -1.153 -11.594 1.00 52.33 C ATOM 2086 OD1 ASP A 444 -1.059 -0.092 -12.201 1.00 62.31 O ATOM 2087 OD2 ASP A 444 0.281 -1.759 -11.774 1.00 52.33 O ATOM 0 H ASP A 444 -3.318 -2.339 -8.696 1.00 51.20 H new ATOM 0 HA ASP A 444 -0.444 -2.123 -8.968 1.00 63.44 H new ATOM 0 HB2 ASP A 444 -1.967 -2.789 -10.834 1.00 53.21 H new ATOM 0 HB3 ASP A 444 -2.769 -1.233 -10.746 1.00 53.21 H new ATOM 2092 N THR A 445 -2.307 0.608 -8.546 1.00 41.42 N ATOM 2093 CA THR A 445 -2.260 2.012 -8.108 1.00 73.21 C ATOM 2094 C THR A 445 -1.826 2.083 -6.627 1.00 23.22 C ATOM 2095 O THR A 445 -1.116 3.014 -6.232 1.00 34.05 O ATOM 2096 CB THR A 445 -3.614 2.775 -8.343 1.00 24.32 C ATOM 2097 OG1 THR A 445 -3.457 4.173 -8.027 1.00 13.32 O ATOM 2098 CG2 THR A 445 -4.785 2.196 -7.529 1.00 44.31 C ATOM 0 H THR A 445 -3.250 0.251 -8.700 1.00 41.42 H new ATOM 0 HA THR A 445 -1.521 2.522 -8.725 1.00 73.21 H new ATOM 0 HB THR A 445 -3.860 2.648 -9.397 1.00 24.32 H new ATOM 0 HG1 THR A 445 -4.305 4.640 -8.178 1.00 13.32 H new ATOM 0 HG21 THR A 445 -5.690 2.767 -7.736 1.00 44.31 H new ATOM 0 HG22 THR A 445 -4.942 1.154 -7.808 1.00 44.31 H new ATOM 0 HG23 THR A 445 -4.554 2.256 -6.466 1.00 44.31 H new ATOM 2106 N MET A 446 -2.241 1.062 -5.832 1.00 24.53 N ATOM 2107 CA MET A 446 -1.804 0.894 -4.438 1.00 50.12 C ATOM 2108 C MET A 446 -0.278 0.748 -4.376 1.00 2.53 C ATOM 2109 O MET A 446 0.371 1.376 -3.545 1.00 4.11 O ATOM 2110 CB MET A 446 -2.474 -0.351 -3.794 1.00 30.15 C ATOM 2111 CG MET A 446 -2.109 -0.567 -2.317 1.00 30.43 C ATOM 2112 SD MET A 446 -2.839 -2.057 -1.611 1.00 21.43 S ATOM 2113 CE MET A 446 -2.298 -1.935 0.096 1.00 63.32 C ATOM 0 H MET A 446 -2.887 0.338 -6.147 1.00 24.53 H new ATOM 0 HA MET A 446 -2.106 1.780 -3.880 1.00 50.12 H new ATOM 0 HB2 MET A 446 -3.556 -0.252 -3.879 1.00 30.15 H new ATOM 0 HB3 MET A 446 -2.189 -1.237 -4.361 1.00 30.15 H new ATOM 0 HG2 MET A 446 -1.025 -0.623 -2.223 1.00 30.43 H new ATOM 0 HG3 MET A 446 -2.435 0.298 -1.739 1.00 30.43 H new ATOM 0 HE1 MET A 446 -1.679 -2.797 0.344 1.00 63.32 H new ATOM 0 HE2 MET A 446 -1.718 -1.022 0.229 1.00 63.32 H new ATOM 0 HE3 MET A 446 -3.168 -1.912 0.753 1.00 63.32 H new ATOM 2123 N MET A 447 0.268 -0.077 -5.300 1.00 11.03 N ATOM 2124 CA MET A 447 1.702 -0.408 -5.363 1.00 44.01 C ATOM 2125 C MET A 447 2.569 0.806 -5.702 1.00 40.54 C ATOM 2126 O MET A 447 3.583 1.040 -5.038 1.00 73.24 O ATOM 2127 CB MET A 447 1.960 -1.541 -6.380 1.00 15.13 C ATOM 2128 CG MET A 447 3.450 -1.870 -6.609 1.00 71.10 C ATOM 2129 SD MET A 447 3.691 -3.509 -7.292 1.00 41.12 S ATOM 2130 CE MET A 447 3.071 -4.494 -5.933 1.00 53.10 C ATOM 0 H MET A 447 -0.283 -0.533 -6.027 1.00 11.03 H new ATOM 0 HA MET A 447 1.987 -0.746 -4.367 1.00 44.01 H new ATOM 0 HB2 MET A 447 1.451 -2.442 -6.038 1.00 15.13 H new ATOM 0 HB3 MET A 447 1.511 -1.264 -7.334 1.00 15.13 H new ATOM 0 HG2 MET A 447 3.883 -1.131 -7.283 1.00 71.10 H new ATOM 0 HG3 MET A 447 3.986 -1.791 -5.663 1.00 71.10 H new ATOM 0 HE1 MET A 447 3.788 -5.280 -5.697 1.00 53.10 H new ATOM 0 HE2 MET A 447 2.928 -3.859 -5.059 1.00 53.10 H new ATOM 0 HE3 MET A 447 2.119 -4.944 -6.214 1.00 53.10 H new ATOM 2140 N SER A 448 2.173 1.556 -6.743 1.00 73.42 N ATOM 2141 CA SER A 448 2.910 2.755 -7.189 1.00 63.45 C ATOM 2142 C SER A 448 2.940 3.823 -6.074 1.00 3.44 C ATOM 2143 O SER A 448 3.973 4.479 -5.847 1.00 43.43 O ATOM 2144 CB SER A 448 2.283 3.303 -8.486 1.00 23.44 C ATOM 2145 OG SER A 448 0.873 3.410 -8.365 1.00 45.54 O ATOM 0 H SER A 448 1.341 1.353 -7.297 1.00 73.42 H new ATOM 0 HA SER A 448 3.943 2.481 -7.402 1.00 63.45 H new ATOM 0 HB2 SER A 448 2.707 4.281 -8.714 1.00 23.44 H new ATOM 0 HB3 SER A 448 2.531 2.646 -9.320 1.00 23.44 H new ATOM 0 HG SER A 448 0.608 3.212 -7.443 1.00 45.54 H new ATOM 2151 N LYS A 449 1.801 3.959 -5.360 1.00 2.14 N ATOM 2152 CA LYS A 449 1.695 4.846 -4.192 1.00 73.40 C ATOM 2153 C LYS A 449 2.567 4.340 -3.030 1.00 13.15 C ATOM 2154 O LYS A 449 3.299 5.128 -2.444 1.00 25.10 O ATOM 2155 CB LYS A 449 0.222 5.016 -3.739 1.00 53.34 C ATOM 2156 CG LYS A 449 -0.650 5.804 -4.741 1.00 64.10 C ATOM 2157 CD LYS A 449 -2.104 6.011 -4.247 1.00 44.42 C ATOM 2158 CE LYS A 449 -2.178 6.867 -2.972 1.00 24.14 C ATOM 2159 NZ LYS A 449 -3.581 7.161 -2.560 1.00 44.43 N ATOM 0 H LYS A 449 0.939 3.460 -5.579 1.00 2.14 H new ATOM 0 HA LYS A 449 2.066 5.826 -4.494 1.00 73.40 H new ATOM 0 HB2 LYS A 449 -0.217 4.030 -3.586 1.00 53.34 H new ATOM 0 HB3 LYS A 449 0.204 5.526 -2.776 1.00 53.34 H new ATOM 0 HG2 LYS A 449 -0.193 6.776 -4.925 1.00 64.10 H new ATOM 0 HG3 LYS A 449 -0.668 5.274 -5.693 1.00 64.10 H new ATOM 0 HD2 LYS A 449 -2.687 6.488 -5.035 1.00 44.42 H new ATOM 0 HD3 LYS A 449 -2.561 5.040 -4.056 1.00 44.42 H new ATOM 0 HE2 LYS A 449 -1.666 6.349 -2.161 1.00 24.14 H new ATOM 0 HE3 LYS A 449 -1.647 7.805 -3.137 1.00 24.14 H new ATOM 0 HZ1 LYS A 449 -3.576 7.823 -1.758 1.00 44.43 H new ATOM 0 HZ2 LYS A 449 -4.095 7.588 -3.357 1.00 44.43 H new ATOM 0 HZ3 LYS A 449 -4.052 6.278 -2.277 1.00 44.43 H new ATOM 2173 N LEU A 450 2.526 3.015 -2.730 1.00 72.41 N ATOM 2174 CA LEU A 450 3.249 2.456 -1.559 1.00 10.22 C ATOM 2175 C LEU A 450 4.770 2.366 -1.816 1.00 13.20 C ATOM 2176 O LEU A 450 5.559 2.224 -0.880 1.00 54.14 O ATOM 2177 CB LEU A 450 2.629 1.104 -1.053 1.00 62.32 C ATOM 2178 CG LEU A 450 2.777 -0.212 -1.909 1.00 45.22 C ATOM 2179 CD1 LEU A 450 4.184 -0.852 -1.834 1.00 51.20 C ATOM 2180 CD2 LEU A 450 1.697 -1.250 -1.520 1.00 30.31 C ATOM 0 H LEU A 450 2.008 2.324 -3.274 1.00 72.41 H new ATOM 0 HA LEU A 450 3.115 3.160 -0.738 1.00 10.22 H new ATOM 0 HB2 LEU A 450 3.058 0.900 -0.072 1.00 62.32 H new ATOM 0 HB3 LEU A 450 1.563 1.274 -0.905 1.00 62.32 H new ATOM 0 HG LEU A 450 2.633 0.095 -2.945 1.00 45.22 H new ATOM 0 HD11 LEU A 450 4.207 -1.752 -2.448 1.00 51.20 H new ATOM 0 HD12 LEU A 450 4.926 -0.143 -2.201 1.00 51.20 H new ATOM 0 HD13 LEU A 450 4.411 -1.112 -0.800 1.00 51.20 H new ATOM 0 HD21 LEU A 450 1.821 -2.148 -2.125 1.00 30.31 H new ATOM 0 HD22 LEU A 450 1.801 -1.505 -0.465 1.00 30.31 H new ATOM 0 HD23 LEU A 450 0.707 -0.828 -1.695 1.00 30.31 H new ATOM 2192 N ASN A 451 5.157 2.430 -3.101 1.00 64.40 N ATOM 2193 CA ASN A 451 6.567 2.506 -3.524 1.00 3.01 C ATOM 2194 C ASN A 451 7.090 3.931 -3.271 1.00 33.33 C ATOM 2195 O ASN A 451 8.185 4.118 -2.728 1.00 53.12 O ATOM 2196 CB ASN A 451 6.713 2.123 -5.025 1.00 4.40 C ATOM 2197 CG ASN A 451 8.177 2.078 -5.485 1.00 51.14 C ATOM 2198 OD1 ASN A 451 8.823 1.036 -5.436 1.00 41.14 O ATOM 2199 ND2 ASN A 451 8.716 3.207 -5.917 1.00 21.41 N ATOM 0 H ASN A 451 4.498 2.431 -3.880 1.00 64.40 H new ATOM 0 HA ASN A 451 7.157 1.796 -2.944 1.00 3.01 H new ATOM 0 HB2 ASN A 451 6.253 1.149 -5.194 1.00 4.40 H new ATOM 0 HB3 ASN A 451 6.167 2.843 -5.634 1.00 4.40 H new ATOM 0 HD21 ASN A 451 9.690 3.224 -6.219 1.00 21.41 H new ATOM 0 HD22 ASN A 451 8.157 4.060 -5.948 1.00 21.41 H new ATOM 2206 N ASN A 452 6.265 4.923 -3.663 1.00 45.20 N ATOM 2207 CA ASN A 452 6.521 6.358 -3.422 1.00 43.54 C ATOM 2208 C ASN A 452 6.650 6.639 -1.909 1.00 73.10 C ATOM 2209 O ASN A 452 7.614 7.305 -1.461 1.00 43.31 O ATOM 2210 CB ASN A 452 5.358 7.196 -4.038 1.00 32.34 C ATOM 2211 CG ASN A 452 5.469 8.699 -3.776 1.00 72.43 C ATOM 2212 OD1 ASN A 452 6.565 9.265 -3.727 1.00 71.24 O ATOM 2213 ND2 ASN A 452 4.338 9.357 -3.588 1.00 75.24 N ATOM 0 H ASN A 452 5.392 4.748 -4.161 1.00 45.20 H new ATOM 0 HA ASN A 452 7.460 6.642 -3.896 1.00 43.54 H new ATOM 0 HB2 ASN A 452 5.332 7.026 -5.114 1.00 32.34 H new ATOM 0 HB3 ASN A 452 4.411 6.836 -3.635 1.00 32.34 H new ATOM 0 HD21 ASN A 452 4.357 10.359 -3.397 1.00 75.24 H new ATOM 0 HD22 ASN A 452 3.447 8.863 -3.634 1.00 75.24 H new ATOM 2220 N THR A 453 5.687 6.087 -1.133 1.00 54.22 N ATOM 2221 CA THR A 453 5.636 6.268 0.315 1.00 32.24 C ATOM 2222 C THR A 453 6.890 5.676 0.961 1.00 41.41 C ATOM 2223 O THR A 453 7.637 6.421 1.577 1.00 52.43 O ATOM 2224 CB THR A 453 4.348 5.663 0.953 1.00 34.44 C ATOM 2225 OG1 THR A 453 4.283 4.297 0.631 1.00 43.04 O ATOM 2226 CG2 THR A 453 3.058 6.347 0.465 1.00 64.44 C ATOM 0 H THR A 453 4.933 5.509 -1.503 1.00 54.22 H new ATOM 0 HA THR A 453 5.602 7.341 0.506 1.00 32.24 H new ATOM 0 HB THR A 453 4.414 5.821 2.030 1.00 34.44 H new ATOM 0 HG1 THR A 453 3.797 3.818 1.334 1.00 43.04 H new ATOM 0 HG21 THR A 453 2.196 5.882 0.944 1.00 64.44 H new ATOM 0 HG22 THR A 453 3.088 7.406 0.721 1.00 64.44 H new ATOM 0 HG23 THR A 453 2.975 6.238 -0.616 1.00 64.44 H new ATOM 2234 N SER A 454 7.149 4.364 0.729 1.00 33.35 N ATOM 2235 CA SER A 454 8.304 3.635 1.299 1.00 33.42 C ATOM 2236 C SER A 454 9.628 4.376 1.077 1.00 53.01 C ATOM 2237 O SER A 454 10.489 4.376 1.962 1.00 33.24 O ATOM 2238 CB SER A 454 8.388 2.216 0.712 1.00 11.14 C ATOM 2239 OG SER A 454 8.465 2.236 -0.695 1.00 11.25 O ATOM 0 H SER A 454 6.557 3.781 0.137 1.00 33.35 H new ATOM 0 HA SER A 454 8.142 3.572 2.375 1.00 33.42 H new ATOM 0 HB2 SER A 454 9.262 1.706 1.117 1.00 11.14 H new ATOM 0 HB3 SER A 454 7.514 1.643 1.020 1.00 11.14 H new ATOM 0 HG SER A 454 8.338 3.153 -1.017 1.00 11.25 H new ATOM 2245 N SER A 455 9.757 5.025 -0.105 1.00 53.23 N ATOM 2246 CA SER A 455 10.896 5.892 -0.422 1.00 15.15 C ATOM 2247 C SER A 455 11.047 7.023 0.629 1.00 22.33 C ATOM 2248 O SER A 455 11.988 6.999 1.438 1.00 13.11 O ATOM 2249 CB SER A 455 10.754 6.485 -1.842 1.00 42.44 C ATOM 2250 OG SER A 455 10.634 5.467 -2.824 1.00 62.15 O ATOM 0 H SER A 455 9.072 4.957 -0.857 1.00 53.23 H new ATOM 0 HA SER A 455 11.799 5.282 -0.393 1.00 15.15 H new ATOM 0 HB2 SER A 455 9.879 7.133 -1.880 1.00 42.44 H new ATOM 0 HB3 SER A 455 11.621 7.107 -2.066 1.00 42.44 H new ATOM 0 HG SER A 455 9.754 5.043 -2.749 1.00 62.15 H new ATOM 2256 N TYR A 456 10.086 7.986 0.669 1.00 20.33 N ATOM 2257 CA TYR A 456 10.224 9.164 1.568 1.00 22.13 C ATOM 2258 C TYR A 456 10.034 8.815 3.064 1.00 72.34 C ATOM 2259 O TYR A 456 10.473 9.575 3.927 1.00 33.41 O ATOM 2260 CB TYR A 456 9.332 10.365 1.137 1.00 32.32 C ATOM 2261 CG TYR A 456 7.821 10.101 0.969 1.00 11.21 C ATOM 2262 CD1 TYR A 456 7.000 9.770 2.052 1.00 4.11 C ATOM 2263 CD2 TYR A 456 7.206 10.241 -0.278 1.00 31.33 C ATOM 2264 CE1 TYR A 456 5.641 9.588 1.893 1.00 13.54 C ATOM 2265 CE2 TYR A 456 5.851 10.048 -0.438 1.00 25.43 C ATOM 2266 CZ TYR A 456 5.073 9.728 0.650 1.00 75.40 C ATOM 2267 OH TYR A 456 3.711 9.560 0.486 1.00 72.12 O ATOM 0 H TYR A 456 9.234 7.973 0.109 1.00 20.33 H new ATOM 0 HA TYR A 456 11.259 9.486 1.456 1.00 22.13 H new ATOM 0 HB2 TYR A 456 9.456 11.158 1.874 1.00 32.32 H new ATOM 0 HB3 TYR A 456 9.715 10.747 0.191 1.00 32.32 H new ATOM 0 HD1 TYR A 456 7.438 9.655 3.032 1.00 4.11 H new ATOM 0 HD2 TYR A 456 7.806 10.506 -1.136 1.00 31.33 H new ATOM 0 HE1 TYR A 456 5.026 9.336 2.744 1.00 13.54 H new ATOM 0 HE2 TYR A 456 5.401 10.148 -1.415 1.00 25.43 H new ATOM 0 HH TYR A 456 3.476 9.695 -0.456 1.00 72.12 H new ATOM 2277 N LEU A 457 9.375 7.672 3.356 1.00 53.23 N ATOM 2278 CA LEU A 457 9.151 7.186 4.733 1.00 30.55 C ATOM 2279 C LEU A 457 10.461 6.690 5.345 1.00 21.24 C ATOM 2280 O LEU A 457 10.764 7.014 6.494 1.00 54.22 O ATOM 2281 CB LEU A 457 8.087 6.045 4.792 1.00 22.33 C ATOM 2282 CG LEU A 457 6.611 6.444 4.511 1.00 71.53 C ATOM 2283 CD1 LEU A 457 5.673 5.221 4.633 1.00 60.23 C ATOM 2284 CD2 LEU A 457 6.166 7.595 5.423 1.00 14.14 C ATOM 0 H LEU A 457 8.983 7.060 2.640 1.00 53.23 H new ATOM 0 HA LEU A 457 8.771 8.031 5.307 1.00 30.55 H new ATOM 0 HB2 LEU A 457 8.373 5.277 4.074 1.00 22.33 H new ATOM 0 HB3 LEU A 457 8.133 5.589 5.781 1.00 22.33 H new ATOM 0 HG LEU A 457 6.548 6.802 3.483 1.00 71.53 H new ATOM 0 HD11 LEU A 457 4.647 5.528 4.432 1.00 60.23 H new ATOM 0 HD12 LEU A 457 5.972 4.460 3.912 1.00 60.23 H new ATOM 0 HD13 LEU A 457 5.738 4.812 5.641 1.00 60.23 H new ATOM 0 HD21 LEU A 457 5.130 7.853 5.204 1.00 14.14 H new ATOM 0 HD22 LEU A 457 6.251 7.287 6.465 1.00 14.14 H new ATOM 0 HD23 LEU A 457 6.801 8.464 5.248 1.00 14.14 H new ATOM 2296 N THR A 458 11.228 5.893 4.568 1.00 12.03 N ATOM 2297 CA THR A 458 12.506 5.336 5.038 1.00 3.24 C ATOM 2298 C THR A 458 13.568 6.446 5.167 1.00 34.14 C ATOM 2299 O THR A 458 14.433 6.380 6.040 1.00 72.21 O ATOM 2300 CB THR A 458 13.018 4.155 4.134 1.00 3.14 C ATOM 2301 OG1 THR A 458 14.021 3.399 4.841 1.00 10.25 O ATOM 2302 CG2 THR A 458 13.599 4.619 2.778 1.00 24.14 C ATOM 0 H THR A 458 10.981 5.624 3.616 1.00 12.03 H new ATOM 0 HA THR A 458 12.328 4.912 6.026 1.00 3.24 H new ATOM 0 HB THR A 458 12.146 3.540 3.914 1.00 3.14 H new ATOM 0 HG1 THR A 458 14.336 2.664 4.275 1.00 10.25 H new ATOM 0 HG21 THR A 458 13.932 3.751 2.209 1.00 24.14 H new ATOM 0 HG22 THR A 458 12.831 5.149 2.215 1.00 24.14 H new ATOM 0 HG23 THR A 458 14.445 5.284 2.953 1.00 24.14 H new ATOM 2310 N GLN A 459 13.473 7.480 4.291 1.00 54.03 N ATOM 2311 CA GLN A 459 14.321 8.693 4.371 1.00 35.41 C ATOM 2312 C GLN A 459 14.040 9.473 5.675 1.00 31.40 C ATOM 2313 O GLN A 459 14.966 9.796 6.448 1.00 34.45 O ATOM 2314 CB GLN A 459 14.076 9.604 3.130 1.00 34.34 C ATOM 2315 CG GLN A 459 14.454 8.957 1.785 1.00 12.23 C ATOM 2316 CD GLN A 459 14.194 9.841 0.555 1.00 3.24 C ATOM 2317 OE1 GLN A 459 13.168 10.691 0.604 1.00 22.15 O flip ATOM 2318 NE2 GLN A 459 14.903 9.744 -0.449 1.00 44.35 N flip ATOM 0 H GLN A 459 12.811 7.494 3.516 1.00 54.03 H new ATOM 0 HA GLN A 459 15.366 8.382 4.378 1.00 35.41 H new ATOM 0 HB2 GLN A 459 13.023 9.884 3.102 1.00 34.34 H new ATOM 0 HB3 GLN A 459 14.648 10.524 3.251 1.00 34.34 H new ATOM 0 HG2 GLN A 459 15.511 8.692 1.809 1.00 12.23 H new ATOM 0 HG3 GLN A 459 13.895 8.028 1.673 1.00 12.23 H new ATOM 0 HE21 GLN A 459 15.682 9.086 -0.461 1.00 44.35 H new ATOM 0 HE22 GLN A 459 14.710 10.322 -1.267 1.00 44.35 H new ATOM 2327 N GLN A 460 12.736 9.729 5.911 1.00 60.44 N ATOM 2328 CA GLN A 460 12.232 10.429 7.104 1.00 34.02 C ATOM 2329 C GLN A 460 12.586 9.642 8.378 1.00 53.12 C ATOM 2330 O GLN A 460 12.876 10.235 9.415 1.00 72.23 O ATOM 2331 CB GLN A 460 10.691 10.643 6.989 1.00 20.40 C ATOM 2332 CG GLN A 460 10.046 11.454 8.139 1.00 41.15 C ATOM 2333 CD GLN A 460 10.632 12.865 8.293 1.00 11.51 C ATOM 2334 OE1 GLN A 460 10.173 13.818 7.661 1.00 33.42 O ATOM 2335 NE2 GLN A 460 11.647 13.008 9.140 1.00 62.13 N ATOM 0 H GLN A 460 11.996 9.450 5.267 1.00 60.44 H new ATOM 0 HA GLN A 460 12.710 11.407 7.169 1.00 34.02 H new ATOM 0 HB2 GLN A 460 10.481 11.150 6.047 1.00 20.40 H new ATOM 0 HB3 GLN A 460 10.208 9.667 6.940 1.00 20.40 H new ATOM 0 HG2 GLN A 460 8.973 11.531 7.962 1.00 41.15 H new ATOM 0 HG3 GLN A 460 10.176 10.910 9.075 1.00 41.15 H new ATOM 0 HE21 GLN A 460 12.005 12.199 9.649 1.00 62.13 H new ATOM 0 HE22 GLN A 460 12.068 13.926 9.281 1.00 62.13 H new ATOM 2344 N PHE A 461 12.590 8.305 8.257 1.00 52.22 N ATOM 2345 CA PHE A 461 12.924 7.388 9.349 1.00 64.42 C ATOM 2346 C PHE A 461 14.414 7.466 9.697 1.00 34.10 C ATOM 2347 O PHE A 461 14.763 7.445 10.875 1.00 62.15 O ATOM 2348 CB PHE A 461 12.539 5.937 8.969 1.00 53.20 C ATOM 2349 CG PHE A 461 12.829 4.899 10.050 1.00 35.13 C ATOM 2350 CD1 PHE A 461 12.290 5.039 11.331 1.00 24.02 C ATOM 2351 CD2 PHE A 461 13.623 3.781 9.788 1.00 61.44 C ATOM 2352 CE1 PHE A 461 12.552 4.107 12.309 1.00 62.51 C ATOM 2353 CE2 PHE A 461 13.880 2.850 10.773 1.00 71.54 C ATOM 2354 CZ PHE A 461 13.341 3.011 12.032 1.00 32.04 C ATOM 0 H PHE A 461 12.358 7.828 7.386 1.00 52.22 H new ATOM 0 HA PHE A 461 12.353 7.687 10.228 1.00 64.42 H new ATOM 0 HB2 PHE A 461 11.476 5.908 8.731 1.00 53.20 H new ATOM 0 HB3 PHE A 461 13.076 5.658 8.062 1.00 53.20 H new ATOM 0 HD1 PHE A 461 11.661 5.888 11.556 1.00 24.02 H new ATOM 0 HD2 PHE A 461 14.041 3.643 8.802 1.00 61.44 H new ATOM 0 HE1 PHE A 461 12.138 4.235 13.298 1.00 62.51 H new ATOM 0 HE2 PHE A 461 14.504 1.995 10.558 1.00 71.54 H new ATOM 0 HZ PHE A 461 13.537 2.278 12.801 1.00 32.04 H new ATOM 2364 N THR A 462 15.280 7.546 8.665 1.00 23.23 N ATOM 2365 CA THR A 462 16.741 7.626 8.855 1.00 14.03 C ATOM 2366 C THR A 462 17.112 8.879 9.669 1.00 24.12 C ATOM 2367 O THR A 462 17.920 8.812 10.595 1.00 14.52 O ATOM 2368 CB THR A 462 17.505 7.638 7.489 1.00 35.31 C ATOM 2369 OG1 THR A 462 17.050 6.552 6.671 1.00 35.24 O ATOM 2370 CG2 THR A 462 19.030 7.515 7.674 1.00 10.25 C ATOM 0 H THR A 462 14.989 7.557 7.687 1.00 23.23 H new ATOM 0 HA THR A 462 17.044 6.735 9.404 1.00 14.03 H new ATOM 0 HB THR A 462 17.297 8.595 7.011 1.00 35.31 H new ATOM 0 HG1 THR A 462 16.157 6.756 6.323 1.00 35.24 H new ATOM 0 HG21 THR A 462 19.517 7.528 6.699 1.00 10.25 H new ATOM 0 HG22 THR A 462 19.393 8.351 8.272 1.00 10.25 H new ATOM 0 HG23 THR A 462 19.261 6.579 8.182 1.00 10.25 H new ATOM 2378 N ALA A 463 16.479 10.014 9.322 1.00 43.11 N ATOM 2379 CA ALA A 463 16.700 11.294 10.021 1.00 23.23 C ATOM 2380 C ALA A 463 16.085 11.276 11.444 1.00 10.54 C ATOM 2381 O ALA A 463 16.760 11.592 12.425 1.00 62.23 O ATOM 2382 CB ALA A 463 16.130 12.451 9.191 1.00 40.54 C ATOM 0 H ALA A 463 15.806 10.071 8.557 1.00 43.11 H new ATOM 0 HA ALA A 463 17.774 11.440 10.135 1.00 23.23 H new ATOM 0 HB1 ALA A 463 16.298 13.392 9.715 1.00 40.54 H new ATOM 0 HB2 ALA A 463 16.627 12.482 8.221 1.00 40.54 H new ATOM 0 HB3 ALA A 463 15.060 12.302 9.046 1.00 40.54 H new ATOM 2388 N MET A 464 14.806 10.866 11.536 1.00 60.55 N ATOM 2389 CA MET A 464 14.029 10.878 12.805 1.00 32.33 C ATOM 2390 C MET A 464 14.647 9.931 13.862 1.00 2.55 C ATOM 2391 O MET A 464 14.585 10.197 15.072 1.00 11.10 O ATOM 2392 CB MET A 464 12.552 10.493 12.514 1.00 32.33 C ATOM 2393 CG MET A 464 11.613 10.493 13.725 1.00 12.34 C ATOM 2394 SD MET A 464 9.896 10.186 13.270 1.00 22.42 S ATOM 2395 CE MET A 464 9.477 11.656 12.327 1.00 21.11 C ATOM 0 H MET A 464 14.276 10.516 10.738 1.00 60.55 H new ATOM 0 HA MET A 464 14.063 11.885 13.220 1.00 32.33 H new ATOM 0 HB2 MET A 464 12.156 11.184 11.770 1.00 32.33 H new ATOM 0 HB3 MET A 464 12.537 9.500 12.066 1.00 32.33 H new ATOM 0 HG2 MET A 464 11.939 9.731 14.433 1.00 12.34 H new ATOM 0 HG3 MET A 464 11.684 11.454 14.235 1.00 12.34 H new ATOM 0 HE1 MET A 464 8.393 11.751 12.263 1.00 21.11 H new ATOM 0 HE2 MET A 464 9.889 12.535 12.822 1.00 21.11 H new ATOM 0 HE3 MET A 464 9.894 11.575 11.323 1.00 21.11 H new ATOM 2405 N ASN A 465 15.248 8.834 13.377 1.00 44.34 N ATOM 2406 CA ASN A 465 15.925 7.838 14.225 1.00 0.53 C ATOM 2407 C ASN A 465 17.344 8.349 14.572 1.00 54.31 C ATOM 2408 O ASN A 465 17.666 8.523 15.751 1.00 35.52 O ATOM 2409 CB ASN A 465 15.965 6.456 13.509 1.00 13.53 C ATOM 2410 CG ASN A 465 16.447 5.291 14.379 1.00 63.31 C ATOM 2411 OD1 ASN A 465 17.182 5.456 15.350 1.00 63.33 O ATOM 2412 ND2 ASN A 465 16.072 4.089 13.997 1.00 24.42 N ATOM 0 H ASN A 465 15.279 8.611 12.382 1.00 44.34 H new ATOM 0 HA ASN A 465 15.372 7.702 15.154 1.00 0.53 H new ATOM 0 HB2 ASN A 465 14.965 6.225 13.140 1.00 13.53 H new ATOM 0 HB3 ASN A 465 16.616 6.533 12.638 1.00 13.53 H new ATOM 0 HD21 ASN A 465 16.392 3.268 14.510 1.00 24.42 H new ATOM 0 HD22 ASN A 465 15.461 3.978 13.188 1.00 24.42 H new ATOM 2419 N LYS A 466 18.191 8.585 13.541 1.00 0.24 N ATOM 2420 CA LYS A 466 19.564 9.123 13.724 1.00 64.14 C ATOM 2421 C LYS A 466 19.790 10.423 12.898 1.00 45.51 C ATOM 2422 O LYS A 466 20.371 10.402 11.802 1.00 54.44 O ATOM 2423 CB LYS A 466 20.652 8.026 13.432 1.00 33.32 C ATOM 2424 CG LYS A 466 20.614 7.337 12.031 1.00 30.15 C ATOM 2425 CD LYS A 466 19.520 6.248 11.885 1.00 23.24 C ATOM 2426 CE LYS A 466 19.727 5.050 12.829 1.00 34.11 C ATOM 2427 NZ LYS A 466 21.032 4.386 12.600 1.00 55.32 N ATOM 0 H LYS A 466 17.946 8.410 12.566 1.00 0.24 H new ATOM 0 HA LYS A 466 19.672 9.403 14.772 1.00 64.14 H new ATOM 0 HB2 LYS A 466 21.634 8.483 13.557 1.00 33.32 H new ATOM 0 HB3 LYS A 466 20.562 7.250 14.192 1.00 33.32 H new ATOM 0 HG2 LYS A 466 20.455 8.099 11.268 1.00 30.15 H new ATOM 0 HG3 LYS A 466 21.587 6.887 11.834 1.00 30.15 H new ATOM 0 HD2 LYS A 466 18.545 6.693 12.082 1.00 23.24 H new ATOM 0 HD3 LYS A 466 19.506 5.892 10.855 1.00 23.24 H new ATOM 0 HE2 LYS A 466 19.668 5.388 13.863 1.00 34.11 H new ATOM 0 HE3 LYS A 466 18.922 4.329 12.683 1.00 34.11 H new ATOM 0 HZ1 LYS A 466 21.071 3.500 13.143 1.00 55.32 H new ATOM 0 HZ2 LYS A 466 21.142 4.177 11.587 1.00 55.32 H new ATOM 0 HZ3 LYS A 466 21.800 5.015 12.909 1.00 55.32 H new ATOM 2441 N SER A 467 19.247 11.542 13.404 1.00 25.31 N ATOM 2442 CA SER A 467 19.609 12.895 12.943 1.00 70.11 C ATOM 2443 C SER A 467 21.088 13.242 13.302 1.00 44.35 C ATOM 2444 O SER A 467 21.975 13.099 12.430 1.00 11.52 O ATOM 2445 CB SER A 467 18.610 13.913 13.552 1.00 24.31 C ATOM 2446 OG SER A 467 18.440 13.704 14.952 1.00 60.00 O ATOM 2447 OXT SER A 467 21.368 13.631 14.460 1.00 37.54 O ATOM 0 H SER A 467 18.545 11.536 14.144 1.00 25.31 H new ATOM 0 HA SER A 467 19.542 12.940 11.856 1.00 70.11 H new ATOM 0 HB2 SER A 467 18.969 14.927 13.375 1.00 24.31 H new ATOM 0 HB3 SER A 467 17.647 13.824 13.050 1.00 24.31 H new ATOM 0 HG SER A 467 19.317 13.592 15.375 1.00 60.00 H new