USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=46 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 439 GLN : amide:sc= -0.0182 X(o=-0.24,f=-0.24) USER MOD Set 1.2: A 442 GLN :FLIP amide:sc= -0.221 F(o=-1.8,f=-0.24) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 171:sc= 1.15 (180deg=-0.0378) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.11 K(o=1.7,f=-1.1) USER MOD Set 2.3: A 451 ASN : amide:sc= 0.457 K(o=1.7,f=-0.9) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 50 LYS NZ :NH3+ -168:sc= -0.0177 (180deg=-0.191) USER MOD Set 4.1: A 18 SER OG : rot -74:sc= 0.316 USER MOD Set 4.2: A 40 TYR OH : rot 11:sc= 1.13 USER MOD Set 4.3: A 71 THR OG1 : rot -140:sc= 0.82 USER MOD Set 4.4: A 74 ASN :FLIP amide:sc= 0.0859 F(o=1.6,f=2.4) USER MOD Single : A 2 THR OG1 : rot -34:sc= 0.12 USER MOD Single : A 4 THR OG1 : rot -113:sc= 0.737 USER MOD Single : A 9 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.1) USER MOD Single : A 12 GLN : amide:sc= 0.175 K(o=0.17,f=-2.6!) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 20 SER OG : rot 86:sc= 0.263 USER MOD Single : A 26 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.029) USER MOD Single : A 36 GLN : amide:sc= -0.0276 K(o=-0.028,f=-1.6) USER MOD Single : A 39 SER OG : rot -0:sc= 0.647 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 43 SER OG : rot 85:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -126:sc= -1.73 (180deg=-2.76!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 110:sc= 0.472 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.0077) USER MOD Single : A 63 MET CE :methyl 168:sc= -3.12! (180deg=-3.48!) 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= -0.393 F(o=-1.7,f=-0.39) USER MOD Single : A 76 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00586 X(o=-0.0059,f=-0.015) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00653) USER MOD Single : A 441 THR OG1 : rot 80:sc= 0.937 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -121:sc=-3.42e-05 (180deg=-2.3!) USER MOD Single : A 447 MET CE :methyl -162:sc= -3.05 (180deg=-3.63!) USER MOD Single : A 448 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 449 LYS NZ :NH3+ 178:sc= 0.667 (180deg=0.657) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 453 THR OG1 : rot 153:sc= -1.09 USER MOD Single : A 454 SER OG : rot -83:sc= 0.912 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.903 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.208 F(o=-2,f=-0.21) USER MOD Single : A 460 GLN :FLIP amide:sc= -0.0117 F(o=-0.61,f=-0.012) USER MOD Single : A 462 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 464 MET CE :methyl -125:sc= -0.0676 (180deg=-1.14) USER MOD Single : A 465 ASN : amide:sc= -0.0355 K(o=-0.036,f=-1.7!) USER MOD Single : A 466 LYS NZ :NH3+ -171:sc= -0.0123 (180deg=-0.116) USER MOD Single : A 467 SER OG : rot -1:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -1.573 21.514 18.209 1.00 22.23 N ATOM 21 CA THR A 2 -2.460 20.856 17.226 1.00 4.20 C ATOM 22 C THR A 2 -1.656 20.023 16.213 1.00 72.31 C ATOM 23 O THR A 2 -1.957 18.850 16.002 1.00 13.32 O ATOM 24 CB THR A 2 -3.351 21.898 16.461 1.00 11.24 C ATOM 25 OG1 THR A 2 -2.525 22.950 15.926 1.00 43.40 O ATOM 26 CG2 THR A 2 -4.449 22.508 17.360 1.00 64.35 C ATOM 0 HA THR A 2 -3.112 20.190 17.791 1.00 4.20 H new ATOM 0 HB THR A 2 -3.849 21.363 15.652 1.00 11.24 H new ATOM 0 HG1 THR A 2 -1.778 23.122 16.537 1.00 43.40 H new ATOM 0 HG21 THR A 2 -5.037 23.222 16.783 1.00 64.35 H new ATOM 0 HG22 THR A 2 -5.100 21.715 17.728 1.00 64.35 H new ATOM 0 HG23 THR A 2 -3.986 23.018 18.205 1.00 64.35 H new ATOM 34 N SER A 3 -0.618 20.646 15.620 1.00 42.22 N ATOM 35 CA SER A 3 0.236 20.015 14.597 1.00 31.42 C ATOM 36 C SER A 3 0.882 18.722 15.132 1.00 22.23 C ATOM 37 O SER A 3 0.930 17.693 14.443 1.00 4.34 O ATOM 38 CB SER A 3 1.322 21.019 14.146 1.00 32.34 C ATOM 39 OG SER A 3 0.748 22.253 13.736 1.00 54.41 O ATOM 0 H SER A 3 -0.348 21.605 15.839 1.00 42.22 H new ATOM 0 HA SER A 3 -0.383 19.743 13.742 1.00 31.42 H new ATOM 0 HB2 SER A 3 2.020 21.195 14.965 1.00 32.34 H new ATOM 0 HB3 SER A 3 1.896 20.592 13.324 1.00 32.34 H new ATOM 0 HG SER A 3 1.459 22.868 13.458 1.00 54.41 H new ATOM 45 N THR A 4 1.338 18.798 16.386 1.00 24.04 N ATOM 46 CA THR A 4 2.007 17.697 17.072 1.00 31.11 C ATOM 47 C THR A 4 1.036 16.530 17.393 1.00 34.21 C ATOM 48 O THR A 4 1.385 15.366 17.180 1.00 64.23 O ATOM 49 CB THR A 4 2.688 18.218 18.375 1.00 32.24 C ATOM 50 OG1 THR A 4 3.503 19.368 18.068 1.00 75.54 O ATOM 51 CG2 THR A 4 3.555 17.143 19.051 1.00 3.11 C ATOM 0 H THR A 4 1.250 19.638 16.957 1.00 24.04 H new ATOM 0 HA THR A 4 2.768 17.302 16.399 1.00 31.11 H new ATOM 0 HB THR A 4 1.895 18.488 19.072 1.00 32.24 H new ATOM 0 HG1 THR A 4 4.448 19.143 18.196 1.00 75.54 H new ATOM 0 HG21 THR A 4 4.007 17.555 19.953 1.00 3.11 H new ATOM 0 HG22 THR A 4 2.934 16.287 19.315 1.00 3.11 H new ATOM 0 HG23 THR A 4 4.340 16.824 18.365 1.00 3.11 H new ATOM 59 N VAL A 5 -0.190 16.838 17.885 1.00 23.14 N ATOM 60 CA VAL A 5 -1.149 15.782 18.295 1.00 53.53 C ATOM 61 C VAL A 5 -1.703 15.010 17.073 1.00 11.41 C ATOM 62 O VAL A 5 -1.771 13.777 17.101 1.00 52.01 O ATOM 63 CB VAL A 5 -2.326 16.334 19.197 1.00 23.33 C ATOM 64 CG1 VAL A 5 -3.251 17.311 18.444 1.00 42.02 C ATOM 65 CG2 VAL A 5 -3.136 15.175 19.826 1.00 53.01 C ATOM 0 H VAL A 5 -0.533 17.791 18.006 1.00 23.14 H new ATOM 0 HA VAL A 5 -0.583 15.084 18.911 1.00 53.53 H new ATOM 0 HB VAL A 5 -1.859 16.905 19.999 1.00 23.33 H new ATOM 0 HG11 VAL A 5 -4.039 17.656 19.114 1.00 42.02 H new ATOM 0 HG12 VAL A 5 -2.671 18.166 18.096 1.00 42.02 H new ATOM 0 HG13 VAL A 5 -3.698 16.803 17.589 1.00 42.02 H new ATOM 0 HG21 VAL A 5 -3.938 15.583 20.441 1.00 53.01 H new ATOM 0 HG22 VAL A 5 -3.563 14.558 19.035 1.00 53.01 H new ATOM 0 HG23 VAL A 5 -2.478 14.566 20.446 1.00 53.01 H new ATOM 75 N GLU A 6 -2.048 15.737 15.984 1.00 63.11 N ATOM 76 CA GLU A 6 -2.576 15.122 14.743 1.00 3.42 C ATOM 77 C GLU A 6 -1.491 14.270 14.061 1.00 40.30 C ATOM 78 O GLU A 6 -1.789 13.240 13.455 1.00 22.15 O ATOM 79 CB GLU A 6 -3.120 16.213 13.781 1.00 3.21 C ATOM 80 CG GLU A 6 -2.064 17.219 13.285 1.00 11.25 C ATOM 81 CD GLU A 6 -2.640 18.370 12.452 1.00 44.23 C ATOM 82 OE1 GLU A 6 -3.132 19.350 13.043 1.00 73.20 O ATOM 83 OE2 GLU A 6 -2.576 18.310 11.205 1.00 42.23 O ATOM 0 H GLU A 6 -1.970 16.753 15.940 1.00 63.11 H new ATOM 0 HA GLU A 6 -3.405 14.465 15.006 1.00 3.42 H new ATOM 0 HB2 GLU A 6 -3.570 15.724 12.917 1.00 3.21 H new ATOM 0 HB3 GLU A 6 -3.915 16.761 14.287 1.00 3.21 H new ATOM 0 HG2 GLU A 6 -1.540 17.634 14.146 1.00 11.25 H new ATOM 0 HG3 GLU A 6 -1.323 16.687 12.688 1.00 11.25 H new ATOM 90 N PHE A 7 -0.229 14.729 14.183 1.00 72.24 N ATOM 91 CA PHE A 7 0.967 13.962 13.809 1.00 51.10 C ATOM 92 C PHE A 7 0.968 12.572 14.510 1.00 62.13 C ATOM 93 O PHE A 7 1.055 11.543 13.837 1.00 74.52 O ATOM 94 CB PHE A 7 2.206 14.822 14.180 1.00 0.33 C ATOM 95 CG PHE A 7 3.567 14.164 14.053 1.00 3.44 C ATOM 96 CD1 PHE A 7 4.277 14.201 12.857 1.00 0.33 C ATOM 97 CD2 PHE A 7 4.161 13.543 15.153 1.00 32.33 C ATOM 98 CE1 PHE A 7 5.531 13.636 12.769 1.00 44.51 C ATOM 99 CE2 PHE A 7 5.408 12.979 15.054 1.00 44.10 C ATOM 100 CZ PHE A 7 6.096 13.028 13.863 1.00 0.32 C ATOM 0 H PHE A 7 -0.014 15.656 14.550 1.00 72.24 H new ATOM 0 HA PHE A 7 0.985 13.755 12.739 1.00 51.10 H new ATOM 0 HB2 PHE A 7 2.201 15.712 13.551 1.00 0.33 H new ATOM 0 HB3 PHE A 7 2.088 15.159 15.210 1.00 0.33 H new ATOM 0 HD1 PHE A 7 3.842 14.676 11.990 1.00 0.33 H new ATOM 0 HD2 PHE A 7 3.632 13.506 16.094 1.00 32.33 H new ATOM 0 HE1 PHE A 7 6.072 13.672 11.835 1.00 44.51 H new ATOM 0 HE2 PHE A 7 5.851 12.496 15.912 1.00 44.10 H new ATOM 0 HZ PHE A 7 7.080 12.588 13.789 1.00 0.32 H new ATOM 110 N ILE A 8 0.793 12.576 15.855 1.00 12.31 N ATOM 111 CA ILE A 8 0.775 11.349 16.692 1.00 75.04 C ATOM 112 C ILE A 8 -0.317 10.358 16.226 1.00 23.03 C ATOM 113 O ILE A 8 -0.014 9.205 15.890 1.00 43.35 O ATOM 114 CB ILE A 8 0.537 11.701 18.216 1.00 64.24 C ATOM 115 CG1 ILE A 8 1.655 12.640 18.761 1.00 61.21 C ATOM 116 CG2 ILE A 8 0.423 10.422 19.085 1.00 71.31 C ATOM 117 CD1 ILE A 8 1.404 13.181 20.161 1.00 42.34 C ATOM 0 H ILE A 8 0.660 13.433 16.392 1.00 12.31 H new ATOM 0 HA ILE A 8 1.751 10.878 16.578 1.00 75.04 H new ATOM 0 HB ILE A 8 -0.412 12.233 18.279 1.00 64.24 H new ATOM 0 HG12 ILE A 8 2.600 12.096 18.760 1.00 61.21 H new ATOM 0 HG13 ILE A 8 1.770 13.480 18.077 1.00 61.21 H new ATOM 0 HG21 ILE A 8 0.260 10.702 20.126 1.00 71.31 H new ATOM 0 HG22 ILE A 8 -0.415 9.819 18.736 1.00 71.31 H new ATOM 0 HG23 ILE A 8 1.344 9.844 19.005 1.00 71.31 H new ATOM 0 HD11 ILE A 8 2.233 13.824 20.457 1.00 42.34 H new ATOM 0 HD12 ILE A 8 0.478 13.756 20.168 1.00 42.34 H new ATOM 0 HD13 ILE A 8 1.321 12.351 20.862 1.00 42.34 H new ATOM 129 N ASN A 9 -1.579 10.840 16.199 1.00 54.20 N ATOM 130 CA ASN A 9 -2.762 10.007 15.885 1.00 72.21 C ATOM 131 C ASN A 9 -2.677 9.357 14.496 1.00 35.21 C ATOM 132 O ASN A 9 -3.020 8.180 14.342 1.00 2.35 O ATOM 133 CB ASN A 9 -4.082 10.814 15.989 1.00 60.42 C ATOM 134 CG ASN A 9 -4.402 11.264 17.415 1.00 51.34 C ATOM 135 OD1 ASN A 9 -4.937 10.494 18.217 1.00 75.21 O ATOM 136 ND2 ASN A 9 -4.111 12.507 17.739 1.00 61.14 N ATOM 0 H ASN A 9 -1.806 11.815 16.394 1.00 54.20 H new ATOM 0 HA ASN A 9 -2.766 9.216 16.635 1.00 72.21 H new ATOM 0 HB2 ASN A 9 -4.016 11.691 15.344 1.00 60.42 H new ATOM 0 HB3 ASN A 9 -4.904 10.204 15.614 1.00 60.42 H new ATOM 0 HD21 ASN A 9 -4.328 12.855 18.673 1.00 61.14 H new ATOM 0 HD22 ASN A 9 -3.669 13.122 17.056 1.00 61.14 H new ATOM 143 N ARG A 10 -2.214 10.125 13.494 1.00 33.12 N ATOM 144 CA ARG A 10 -2.173 9.654 12.100 1.00 61.52 C ATOM 145 C ARG A 10 -1.044 8.631 11.874 1.00 41.13 C ATOM 146 O ARG A 10 -1.264 7.654 11.173 1.00 41.41 O ATOM 147 CB ARG A 10 -2.068 10.835 11.111 1.00 10.15 C ATOM 148 CG ARG A 10 -3.304 11.759 11.109 1.00 54.34 C ATOM 149 CD ARG A 10 -3.185 12.899 10.085 1.00 42.25 C ATOM 150 NE ARG A 10 -1.991 13.738 10.313 1.00 61.42 N ATOM 151 CZ ARG A 10 -1.951 15.078 10.220 1.00 61.41 C ATOM 152 NH1 ARG A 10 -3.039 15.778 9.912 1.00 13.13 N ATOM 153 NH2 ARG A 10 -0.819 15.715 10.472 1.00 1.03 N ATOM 0 H ARG A 10 -1.863 11.074 13.624 1.00 33.12 H new ATOM 0 HA ARG A 10 -3.115 9.141 11.905 1.00 61.52 H new ATOM 0 HB2 ARG A 10 -1.185 11.425 11.357 1.00 10.15 H new ATOM 0 HB3 ARG A 10 -1.918 10.442 10.105 1.00 10.15 H new ATOM 0 HG2 ARG A 10 -4.194 11.169 10.890 1.00 54.34 H new ATOM 0 HG3 ARG A 10 -3.439 12.182 12.105 1.00 54.34 H new ATOM 0 HD2 ARG A 10 -3.144 12.478 9.080 1.00 42.25 H new ATOM 0 HD3 ARG A 10 -4.078 13.522 10.133 1.00 42.25 H new ATOM 0 HE ARG A 10 -1.125 13.261 10.562 1.00 61.42 H new ATOM 0 HH11 ARG A 10 -3.923 15.298 9.742 1.00 13.13 H new ATOM 0 HH12 ARG A 10 -2.990 16.795 9.846 1.00 13.13 H new ATOM 0 HH21 ARG A 10 0.015 15.189 10.735 1.00 1.03 H new ATOM 0 HH22 ARG A 10 -0.780 16.732 10.404 1.00 1.03 H new ATOM 167 N TRP A 11 0.145 8.837 12.489 1.00 2.42 N ATOM 168 CA TRP A 11 1.248 7.830 12.432 1.00 52.34 C ATOM 169 C TRP A 11 0.852 6.532 13.154 1.00 74.42 C ATOM 170 O TRP A 11 1.244 5.430 12.731 1.00 34.30 O ATOM 171 CB TRP A 11 2.577 8.374 13.018 1.00 64.52 C ATOM 172 CG TRP A 11 3.308 9.327 12.099 1.00 25.30 C ATOM 173 CD1 TRP A 11 3.507 10.658 12.283 1.00 14.41 C ATOM 174 CD2 TRP A 11 3.938 9.006 10.847 1.00 11.12 C ATOM 175 NE1 TRP A 11 4.210 11.183 11.236 1.00 41.41 N ATOM 176 CE2 TRP A 11 4.494 10.195 10.347 1.00 43.24 C ATOM 177 CE3 TRP A 11 4.087 7.834 10.103 1.00 22.45 C ATOM 178 CZ2 TRP A 11 5.186 10.254 9.144 1.00 21.35 C ATOM 179 CZ3 TRP A 11 4.775 7.889 8.908 1.00 55.44 C ATOM 180 CH2 TRP A 11 5.317 9.094 8.440 1.00 35.54 C ATOM 0 H TRP A 11 0.370 9.676 13.024 1.00 2.42 H new ATOM 0 HA TRP A 11 1.413 7.615 11.376 1.00 52.34 H new ATOM 0 HB2 TRP A 11 2.367 8.882 13.959 1.00 64.52 H new ATOM 0 HB3 TRP A 11 3.232 7.534 13.249 1.00 64.52 H new ATOM 0 HD1 TRP A 11 3.159 11.221 13.136 1.00 14.41 H new ATOM 0 HE1 TRP A 11 4.479 12.162 11.137 1.00 41.41 H new ATOM 0 HE3 TRP A 11 3.672 6.902 10.456 1.00 22.45 H new ATOM 0 HZ2 TRP A 11 5.603 11.182 8.781 1.00 21.35 H new ATOM 0 HZ3 TRP A 11 4.898 6.989 8.324 1.00 55.44 H new ATOM 0 HH2 TRP A 11 5.850 9.104 7.501 1.00 35.54 H new ATOM 191 N GLN A 12 0.068 6.685 14.239 1.00 42.31 N ATOM 192 CA GLN A 12 -0.541 5.562 14.958 1.00 12.43 C ATOM 193 C GLN A 12 -1.418 4.747 13.994 1.00 54.52 C ATOM 194 O GLN A 12 -1.295 3.522 13.935 1.00 75.31 O ATOM 195 CB GLN A 12 -1.381 6.078 16.156 1.00 55.22 C ATOM 196 CG GLN A 12 -2.076 4.977 16.980 1.00 44.14 C ATOM 197 CD GLN A 12 -3.069 5.524 18.008 1.00 42.44 C ATOM 198 OE1 GLN A 12 -3.669 6.582 17.811 1.00 64.13 O ATOM 199 NE2 GLN A 12 -3.267 4.806 19.095 1.00 15.00 N ATOM 0 H GLN A 12 -0.158 7.596 14.638 1.00 42.31 H new ATOM 0 HA GLN A 12 0.247 4.919 15.349 1.00 12.43 H new ATOM 0 HB2 GLN A 12 -0.731 6.651 16.817 1.00 55.22 H new ATOM 0 HB3 GLN A 12 -2.140 6.765 15.781 1.00 55.22 H new ATOM 0 HG2 GLN A 12 -2.600 4.302 16.303 1.00 44.14 H new ATOM 0 HG3 GLN A 12 -1.319 4.386 17.496 1.00 44.14 H new ATOM 0 HE21 GLN A 12 -2.755 3.934 19.230 1.00 15.00 H new ATOM 0 HE22 GLN A 12 -3.932 5.122 19.801 1.00 15.00 H new ATOM 208 N ARG A 13 -2.256 5.460 13.200 1.00 32.54 N ATOM 209 CA ARG A 13 -3.113 4.834 12.178 1.00 50.13 C ATOM 210 C ARG A 13 -2.260 4.058 11.159 1.00 64.22 C ATOM 211 O ARG A 13 -2.494 2.888 10.948 1.00 52.54 O ATOM 212 CB ARG A 13 -3.983 5.884 11.426 1.00 53.54 C ATOM 213 CG ARG A 13 -4.994 6.660 12.299 1.00 52.30 C ATOM 214 CD ARG A 13 -6.026 5.746 12.987 1.00 54.23 C ATOM 215 NE ARG A 13 -6.961 6.508 13.836 1.00 43.53 N ATOM 216 CZ ARG A 13 -6.721 6.906 15.098 1.00 5.25 C ATOM 217 NH1 ARG A 13 -5.562 6.651 15.697 1.00 33.24 N ATOM 218 NH2 ARG A 13 -7.658 7.565 15.761 1.00 42.53 N ATOM 0 H ARG A 13 -2.352 6.474 13.254 1.00 32.54 H new ATOM 0 HA ARG A 13 -3.780 4.147 12.699 1.00 50.13 H new ATOM 0 HB2 ARG A 13 -3.319 6.602 10.945 1.00 53.54 H new ATOM 0 HB3 ARG A 13 -4.530 5.375 10.633 1.00 53.54 H new ATOM 0 HG2 ARG A 13 -4.452 7.222 13.059 1.00 52.30 H new ATOM 0 HG3 ARG A 13 -5.518 7.387 11.678 1.00 52.30 H new ATOM 0 HD2 ARG A 13 -6.588 5.199 12.230 1.00 54.23 H new ATOM 0 HD3 ARG A 13 -5.506 5.005 13.595 1.00 54.23 H new ATOM 0 HE ARG A 13 -7.865 6.754 13.432 1.00 43.53 H new ATOM 0 HH11 ARG A 13 -4.831 6.143 15.199 1.00 33.24 H new ATOM 0 HH12 ARG A 13 -5.403 6.963 16.655 1.00 33.24 H new ATOM 0 HH21 ARG A 13 -8.553 7.767 15.314 1.00 42.53 H new ATOM 0 HH22 ARG A 13 -7.486 7.871 16.719 1.00 42.53 H new ATOM 232 N ILE A 14 -1.230 4.729 10.604 1.00 34.11 N ATOM 233 CA ILE A 14 -0.367 4.192 9.527 1.00 23.35 C ATOM 234 C ILE A 14 0.252 2.820 9.907 1.00 44.25 C ATOM 235 O ILE A 14 0.186 1.868 9.125 1.00 3.15 O ATOM 236 CB ILE A 14 0.753 5.249 9.158 1.00 10.13 C ATOM 237 CG1 ILE A 14 0.100 6.548 8.592 1.00 21.02 C ATOM 238 CG2 ILE A 14 1.785 4.684 8.157 1.00 23.54 C ATOM 239 CD1 ILE A 14 1.046 7.715 8.386 1.00 30.01 C ATOM 0 H ILE A 14 -0.969 5.672 10.894 1.00 34.11 H new ATOM 0 HA ILE A 14 -0.989 4.018 8.649 1.00 23.35 H new ATOM 0 HB ILE A 14 1.293 5.486 10.075 1.00 10.13 H new ATOM 0 HG12 ILE A 14 -0.371 6.312 7.638 1.00 21.02 H new ATOM 0 HG13 ILE A 14 -0.694 6.861 9.271 1.00 21.02 H new ATOM 0 HG21 ILE A 14 2.532 5.446 7.935 1.00 23.54 H new ATOM 0 HG22 ILE A 14 2.274 3.812 8.592 1.00 23.54 H new ATOM 0 HG23 ILE A 14 1.278 4.394 7.236 1.00 23.54 H new ATOM 0 HD11 ILE A 14 0.493 8.567 7.990 1.00 30.01 H new ATOM 0 HD12 ILE A 14 1.500 7.988 9.339 1.00 30.01 H new ATOM 0 HD13 ILE A 14 1.827 7.430 7.681 1.00 30.01 H new ATOM 251 N ALA A 15 0.775 2.714 11.142 1.00 25.13 N ATOM 252 CA ALA A 15 1.419 1.476 11.636 1.00 31.12 C ATOM 253 C ALA A 15 0.402 0.355 11.930 1.00 54.02 C ATOM 254 O ALA A 15 0.653 -0.819 11.617 1.00 41.35 O ATOM 255 CB ALA A 15 2.233 1.778 12.884 1.00 24.43 C ATOM 0 H ALA A 15 0.765 3.474 11.822 1.00 25.13 H new ATOM 0 HA ALA A 15 2.074 1.116 10.842 1.00 31.12 H new ATOM 0 HB1 ALA A 15 2.704 0.862 13.242 1.00 24.43 H new ATOM 0 HB2 ALA A 15 3.002 2.513 12.648 1.00 24.43 H new ATOM 0 HB3 ALA A 15 1.577 2.175 13.659 1.00 24.43 H new ATOM 261 N LEU A 16 -0.738 0.726 12.547 1.00 33.52 N ATOM 262 CA LEU A 16 -1.817 -0.229 12.880 1.00 73.41 C ATOM 263 C LEU A 16 -2.466 -0.801 11.604 1.00 34.33 C ATOM 264 O LEU A 16 -2.760 -2.005 11.525 1.00 52.22 O ATOM 265 CB LEU A 16 -2.891 0.456 13.768 1.00 74.31 C ATOM 266 CG LEU A 16 -2.440 0.879 15.204 1.00 52.22 C ATOM 267 CD1 LEU A 16 -3.590 1.585 15.955 1.00 35.10 C ATOM 268 CD2 LEU A 16 -1.899 -0.327 16.008 1.00 61.34 C ATOM 0 H LEU A 16 -0.937 1.687 12.827 1.00 33.52 H new ATOM 0 HA LEU A 16 -1.375 -1.056 13.436 1.00 73.41 H new ATOM 0 HB2 LEU A 16 -3.249 1.344 13.247 1.00 74.31 H new ATOM 0 HB3 LEU A 16 -3.739 -0.222 13.862 1.00 74.31 H new ATOM 0 HG LEU A 16 -1.620 1.590 15.099 1.00 52.22 H new ATOM 0 HD11 LEU A 16 -3.253 1.870 16.952 1.00 35.10 H new ATOM 0 HD12 LEU A 16 -3.891 2.477 15.405 1.00 35.10 H new ATOM 0 HD13 LEU A 16 -4.439 0.907 16.039 1.00 35.10 H new ATOM 0 HD21 LEU A 16 -1.595 0.005 17.001 1.00 61.34 H new ATOM 0 HD22 LEU A 16 -2.680 -1.082 16.101 1.00 61.34 H new ATOM 0 HD23 LEU A 16 -1.041 -0.754 15.490 1.00 61.34 H new ATOM 280 N LEU A 17 -2.649 0.085 10.604 1.00 51.12 N ATOM 281 CA LEU A 17 -3.269 -0.249 9.318 1.00 44.54 C ATOM 282 C LEU A 17 -2.364 -1.196 8.544 1.00 71.12 C ATOM 283 O LEU A 17 -2.805 -2.275 8.206 1.00 54.00 O ATOM 284 CB LEU A 17 -3.589 1.029 8.481 1.00 21.23 C ATOM 285 CG LEU A 17 -4.718 1.944 9.054 1.00 1.50 C ATOM 286 CD1 LEU A 17 -4.855 3.249 8.245 1.00 23.34 C ATOM 287 CD2 LEU A 17 -6.058 1.190 9.133 1.00 4.41 C ATOM 0 H LEU A 17 -2.365 1.062 10.674 1.00 51.12 H new ATOM 0 HA LEU A 17 -4.219 -0.745 9.514 1.00 44.54 H new ATOM 0 HB2 LEU A 17 -2.678 1.620 8.390 1.00 21.23 H new ATOM 0 HB3 LEU A 17 -3.871 0.721 7.474 1.00 21.23 H new ATOM 0 HG LEU A 17 -4.432 2.220 10.069 1.00 1.50 H new ATOM 0 HD11 LEU A 17 -5.650 3.860 8.672 1.00 23.34 H new ATOM 0 HD12 LEU A 17 -3.915 3.799 8.280 1.00 23.34 H new ATOM 0 HD13 LEU A 17 -5.097 3.011 7.209 1.00 23.34 H new ATOM 0 HD21 LEU A 17 -6.825 1.852 9.535 1.00 4.41 H new ATOM 0 HD22 LEU A 17 -6.350 0.861 8.136 1.00 4.41 H new ATOM 0 HD23 LEU A 17 -5.950 0.323 9.784 1.00 4.41 H new ATOM 299 N SER A 18 -1.081 -0.805 8.354 1.00 70.23 N ATOM 300 CA SER A 18 -0.088 -1.596 7.592 1.00 33.32 C ATOM 301 C SER A 18 0.037 -3.029 8.133 1.00 62.10 C ATOM 302 O SER A 18 0.038 -3.991 7.360 1.00 73.13 O ATOM 303 CB SER A 18 1.291 -0.909 7.629 1.00 50.30 C ATOM 304 OG SER A 18 1.709 -0.654 8.958 1.00 62.31 O ATOM 0 H SER A 18 -0.707 0.068 8.725 1.00 70.23 H new ATOM 0 HA SER A 18 -0.441 -1.651 6.562 1.00 33.32 H new ATOM 0 HB2 SER A 18 2.026 -1.540 7.130 1.00 50.30 H new ATOM 0 HB3 SER A 18 1.247 0.028 7.074 1.00 50.30 H new ATOM 0 HG SER A 18 1.194 0.095 9.325 1.00 62.31 H new ATOM 310 N GLN A 19 0.117 -3.136 9.474 1.00 21.01 N ATOM 311 CA GLN A 19 0.175 -4.421 10.191 1.00 42.14 C ATOM 312 C GLN A 19 -1.052 -5.303 9.882 1.00 45.44 C ATOM 313 O GLN A 19 -0.906 -6.459 9.466 1.00 43.44 O ATOM 314 CB GLN A 19 0.283 -4.153 11.715 1.00 43.34 C ATOM 315 CG GLN A 19 0.352 -5.414 12.599 1.00 60.20 C ATOM 316 CD GLN A 19 0.406 -5.122 14.108 1.00 11.12 C ATOM 317 OE1 GLN A 19 -0.258 -4.058 14.559 1.00 10.40 O flip ATOM 318 NE2 GLN A 19 1.020 -5.867 14.872 1.00 42.21 N flip ATOM 0 H GLN A 19 0.143 -2.326 10.093 1.00 21.01 H new ATOM 0 HA GLN A 19 1.056 -4.966 9.851 1.00 42.14 H new ATOM 0 HB2 GLN A 19 1.172 -3.550 11.900 1.00 43.34 H new ATOM 0 HB3 GLN A 19 -0.576 -3.558 12.025 1.00 43.34 H new ATOM 0 HG2 GLN A 19 -0.517 -6.038 12.392 1.00 60.20 H new ATOM 0 HG3 GLN A 19 1.233 -5.992 12.320 1.00 60.20 H new ATOM 0 HE21 GLN A 19 1.521 -6.675 14.503 1.00 42.21 H new ATOM 0 HE22 GLN A 19 1.028 -5.676 15.874 1.00 42.21 H new ATOM 327 N SER A 20 -2.251 -4.725 10.041 1.00 31.30 N ATOM 328 CA SER A 20 -3.516 -5.465 9.919 1.00 30.04 C ATOM 329 C SER A 20 -3.866 -5.823 8.461 1.00 3.23 C ATOM 330 O SER A 20 -4.345 -6.925 8.200 1.00 3.11 O ATOM 331 CB SER A 20 -4.654 -4.683 10.597 1.00 35.22 C ATOM 332 OG SER A 20 -4.397 -4.521 11.987 1.00 51.31 O ATOM 0 H SER A 20 -2.372 -3.735 10.257 1.00 31.30 H new ATOM 0 HA SER A 20 -3.386 -6.417 10.434 1.00 30.04 H new ATOM 0 HB2 SER A 20 -4.761 -3.706 10.126 1.00 35.22 H new ATOM 0 HB3 SER A 20 -5.598 -5.210 10.456 1.00 35.22 H new ATOM 0 HG SER A 20 -3.845 -3.723 12.127 1.00 51.31 H new ATOM 338 N LEU A 21 -3.604 -4.916 7.507 1.00 63.31 N ATOM 339 CA LEU A 21 -3.847 -5.189 6.079 1.00 51.35 C ATOM 340 C LEU A 21 -2.778 -6.137 5.518 1.00 10.55 C ATOM 341 O LEU A 21 -2.990 -6.755 4.480 1.00 62.32 O ATOM 342 CB LEU A 21 -4.023 -3.880 5.247 1.00 22.20 C ATOM 343 CG LEU A 21 -2.846 -2.843 5.201 1.00 24.10 C ATOM 344 CD1 LEU A 21 -1.708 -3.273 4.281 1.00 40.42 C ATOM 345 CD2 LEU A 21 -3.341 -1.434 4.809 1.00 50.35 C ATOM 0 H LEU A 21 -3.225 -3.988 7.697 1.00 63.31 H new ATOM 0 HA LEU A 21 -4.802 -5.707 5.989 1.00 51.35 H new ATOM 0 HB2 LEU A 21 -4.246 -4.170 4.220 1.00 22.20 H new ATOM 0 HB3 LEU A 21 -4.903 -3.363 5.630 1.00 22.20 H new ATOM 0 HG LEU A 21 -2.448 -2.806 6.215 1.00 24.10 H new ATOM 0 HD11 LEU A 21 -0.925 -2.515 4.292 1.00 40.42 H new ATOM 0 HD12 LEU A 21 -1.299 -4.222 4.627 1.00 40.42 H new ATOM 0 HD13 LEU A 21 -2.086 -3.390 3.265 1.00 40.42 H new ATOM 0 HD21 LEU A 21 -2.497 -0.745 4.788 1.00 50.35 H new ATOM 0 HD22 LEU A 21 -3.803 -1.472 3.822 1.00 50.35 H new ATOM 0 HD23 LEU A 21 -4.073 -1.089 5.539 1.00 50.35 H new ATOM 357 N LEU A 22 -1.624 -6.231 6.210 1.00 44.14 N ATOM 358 CA LEU A 22 -0.610 -7.257 5.923 1.00 12.32 C ATOM 359 C LEU A 22 -1.139 -8.646 6.319 1.00 34.24 C ATOM 360 O LEU A 22 -0.942 -9.616 5.580 1.00 54.41 O ATOM 361 CB LEU A 22 0.710 -6.965 6.672 1.00 4.12 C ATOM 362 CG LEU A 22 1.859 -7.985 6.438 1.00 71.32 C ATOM 363 CD1 LEU A 22 2.315 -7.998 4.962 1.00 60.53 C ATOM 364 CD2 LEU A 22 3.028 -7.708 7.393 1.00 24.13 C ATOM 0 H LEU A 22 -1.374 -5.604 6.974 1.00 44.14 H new ATOM 0 HA LEU A 22 -0.405 -7.238 4.853 1.00 12.32 H new ATOM 0 HB2 LEU A 22 1.062 -5.976 6.378 1.00 4.12 H new ATOM 0 HB3 LEU A 22 0.498 -6.923 7.740 1.00 4.12 H new ATOM 0 HG LEU A 22 1.477 -8.982 6.658 1.00 71.32 H new ATOM 0 HD11 LEU A 22 3.119 -8.723 4.836 1.00 60.53 H new ATOM 0 HD12 LEU A 22 1.475 -8.273 4.324 1.00 60.53 H new ATOM 0 HD13 LEU A 22 2.673 -7.007 4.683 1.00 60.53 H new ATOM 0 HD21 LEU A 22 3.823 -8.432 7.215 1.00 24.13 H new ATOM 0 HD22 LEU A 22 3.408 -6.701 7.220 1.00 24.13 H new ATOM 0 HD23 LEU A 22 2.684 -7.794 8.424 1.00 24.13 H new ATOM 376 N GLU A 23 -1.819 -8.715 7.493 1.00 41.00 N ATOM 377 CA GLU A 23 -2.522 -9.935 7.947 1.00 21.24 C ATOM 378 C GLU A 23 -3.552 -10.369 6.883 1.00 11.03 C ATOM 379 O GLU A 23 -3.690 -11.551 6.577 1.00 35.15 O ATOM 380 CB GLU A 23 -3.241 -9.697 9.306 1.00 12.11 C ATOM 381 CG GLU A 23 -2.334 -9.221 10.459 1.00 64.41 C ATOM 382 CD GLU A 23 -3.099 -9.052 11.785 1.00 1.43 C ATOM 383 OE1 GLU A 23 -2.940 -9.895 12.694 1.00 10.43 O ATOM 384 OE2 GLU A 23 -3.888 -8.089 11.916 1.00 45.12 O ATOM 0 H GLU A 23 -1.893 -7.932 8.143 1.00 41.00 H new ATOM 0 HA GLU A 23 -1.782 -10.723 8.086 1.00 21.24 H new ATOM 0 HB2 GLU A 23 -4.028 -8.958 9.157 1.00 12.11 H new ATOM 0 HB3 GLU A 23 -3.727 -10.625 9.608 1.00 12.11 H new ATOM 0 HG2 GLU A 23 -1.525 -9.938 10.600 1.00 64.41 H new ATOM 0 HG3 GLU A 23 -1.874 -8.271 10.186 1.00 64.41 H new ATOM 391 N LEU A 24 -4.225 -9.364 6.298 1.00 3.14 N ATOM 392 CA LEU A 24 -5.250 -9.559 5.255 1.00 22.15 C ATOM 393 C LEU A 24 -4.624 -9.973 3.904 1.00 11.20 C ATOM 394 O LEU A 24 -5.172 -10.818 3.205 1.00 40.23 O ATOM 395 CB LEU A 24 -6.089 -8.261 5.124 1.00 63.03 C ATOM 396 CG LEU A 24 -6.806 -7.820 6.441 1.00 41.45 C ATOM 397 CD1 LEU A 24 -7.434 -6.419 6.310 1.00 64.33 C ATOM 398 CD2 LEU A 24 -7.839 -8.874 6.888 1.00 61.11 C ATOM 0 H LEU A 24 -4.073 -8.384 6.537 1.00 3.14 H new ATOM 0 HA LEU A 24 -5.904 -10.380 5.550 1.00 22.15 H new ATOM 0 HB2 LEU A 24 -5.437 -7.453 4.792 1.00 63.03 H new ATOM 0 HB3 LEU A 24 -6.840 -8.405 4.347 1.00 63.03 H new ATOM 0 HG LEU A 24 -6.049 -7.751 7.222 1.00 41.45 H new ATOM 0 HD11 LEU A 24 -7.922 -6.150 7.247 1.00 64.33 H new ATOM 0 HD12 LEU A 24 -6.655 -5.691 6.085 1.00 64.33 H new ATOM 0 HD13 LEU A 24 -8.170 -6.424 5.506 1.00 64.33 H new ATOM 0 HD21 LEU A 24 -8.323 -8.542 7.807 1.00 61.11 H new ATOM 0 HD22 LEU A 24 -8.589 -9.002 6.108 1.00 61.11 H new ATOM 0 HD23 LEU A 24 -7.336 -9.824 7.066 1.00 61.11 H new ATOM 410 N ALA A 25 -3.453 -9.397 3.578 1.00 11.01 N ATOM 411 CA ALA A 25 -2.721 -9.688 2.321 1.00 13.51 C ATOM 412 C ALA A 25 -2.233 -11.147 2.287 1.00 4.43 C ATOM 413 O ALA A 25 -2.390 -11.840 1.273 1.00 1.34 O ATOM 414 CB ALA A 25 -1.540 -8.715 2.146 1.00 23.44 C ATOM 0 H ALA A 25 -2.983 -8.716 4.175 1.00 11.01 H new ATOM 0 HA ALA A 25 -3.411 -9.547 1.489 1.00 13.51 H new ATOM 0 HB1 ALA A 25 -1.015 -8.943 1.219 1.00 23.44 H new ATOM 0 HB2 ALA A 25 -1.914 -7.692 2.109 1.00 23.44 H new ATOM 0 HB3 ALA A 25 -0.854 -8.820 2.987 1.00 23.44 H new ATOM 420 N GLN A 26 -1.659 -11.610 3.418 1.00 74.13 N ATOM 421 CA GLN A 26 -1.162 -12.994 3.547 1.00 33.22 C ATOM 422 C GLN A 26 -2.332 -13.988 3.670 1.00 31.22 C ATOM 423 O GLN A 26 -2.204 -15.145 3.274 1.00 44.01 O ATOM 424 CB GLN A 26 -0.186 -13.132 4.749 1.00 15.11 C ATOM 425 CG GLN A 26 -0.818 -12.888 6.137 1.00 71.23 C ATOM 426 CD GLN A 26 0.128 -13.060 7.333 1.00 63.44 C ATOM 427 OE1 GLN A 26 -0.305 -13.447 8.422 1.00 14.10 O ATOM 428 NE2 GLN A 26 1.408 -12.755 7.162 1.00 44.22 N ATOM 0 H GLN A 26 -1.529 -11.043 4.256 1.00 74.13 H new ATOM 0 HA GLN A 26 -0.607 -13.235 2.640 1.00 33.22 H new ATOM 0 HB2 GLN A 26 0.245 -14.133 4.734 1.00 15.11 H new ATOM 0 HB3 GLN A 26 0.636 -12.429 4.612 1.00 15.11 H new ATOM 0 HG2 GLN A 26 -1.224 -11.877 6.159 1.00 71.23 H new ATOM 0 HG3 GLN A 26 -1.658 -13.571 6.259 1.00 71.23 H new ATOM 0 HE21 GLN A 26 1.739 -12.438 6.251 1.00 44.22 H new ATOM 0 HE22 GLN A 26 2.061 -12.838 7.941 1.00 44.22 H new ATOM 437 N ARG A 27 -3.467 -13.518 4.228 1.00 71.42 N ATOM 438 CA ARG A 27 -4.728 -14.293 4.292 1.00 42.24 C ATOM 439 C ARG A 27 -5.410 -14.390 2.910 1.00 1.20 C ATOM 440 O ARG A 27 -6.262 -15.264 2.701 1.00 34.04 O ATOM 441 CB ARG A 27 -5.708 -13.659 5.341 1.00 22.22 C ATOM 442 CG ARG A 27 -5.749 -14.360 6.717 1.00 5.55 C ATOM 443 CD ARG A 27 -6.330 -15.784 6.621 1.00 45.11 C ATOM 444 NE ARG A 27 -7.661 -15.799 5.964 1.00 34.20 N ATOM 445 CZ ARG A 27 -8.416 -16.895 5.749 1.00 64.40 C ATOM 446 NH1 ARG A 27 -8.005 -18.103 6.133 1.00 61.02 N ATOM 447 NH2 ARG A 27 -9.579 -16.776 5.126 1.00 63.22 N ATOM 0 H ARG A 27 -3.537 -12.591 4.647 1.00 71.42 H new ATOM 0 HA ARG A 27 -4.476 -15.305 4.608 1.00 42.24 H new ATOM 0 HB2 ARG A 27 -5.427 -12.617 5.491 1.00 22.22 H new ATOM 0 HB3 ARG A 27 -6.714 -13.661 4.921 1.00 22.22 H new ATOM 0 HG2 ARG A 27 -4.742 -14.406 7.131 1.00 5.55 H new ATOM 0 HG3 ARG A 27 -6.350 -13.769 7.408 1.00 5.55 H new ATOM 0 HD2 ARG A 27 -5.643 -16.419 6.062 1.00 45.11 H new ATOM 0 HD3 ARG A 27 -6.415 -16.209 7.621 1.00 45.11 H new ATOM 0 HE ARG A 27 -8.036 -14.904 5.649 1.00 34.20 H new ATOM 0 HH11 ARG A 27 -7.104 -18.211 6.599 1.00 61.02 H new ATOM 0 HH12 ARG A 27 -8.591 -18.920 5.961 1.00 61.02 H new ATOM 0 HH21 ARG A 27 -9.898 -15.859 4.812 1.00 63.22 H new ATOM 0 HH22 ARG A 27 -10.155 -17.601 4.960 1.00 63.22 H new ATOM 461 N GLY A 28 -5.040 -13.479 1.990 1.00 23.24 N ATOM 462 CA GLY A 28 -5.663 -13.403 0.665 1.00 1.54 C ATOM 463 C GLY A 28 -6.953 -12.598 0.666 1.00 42.32 C ATOM 464 O GLY A 28 -7.672 -12.580 -0.335 1.00 2.10 O ATOM 0 H GLY A 28 -4.309 -12.785 2.146 1.00 23.24 H new ATOM 0 HA2 GLY A 28 -4.960 -12.954 -0.037 1.00 1.54 H new ATOM 0 HA3 GLY A 28 -5.870 -14.412 0.307 1.00 1.54 H new ATOM 468 N GLU A 29 -7.251 -11.945 1.804 1.00 43.41 N ATOM 469 CA GLU A 29 -8.410 -11.058 1.947 1.00 44.23 C ATOM 470 C GLU A 29 -8.183 -9.767 1.144 1.00 21.01 C ATOM 471 O GLU A 29 -7.681 -8.780 1.688 1.00 32.13 O ATOM 472 CB GLU A 29 -8.668 -10.713 3.439 1.00 21.12 C ATOM 473 CG GLU A 29 -8.789 -11.917 4.384 1.00 60.01 C ATOM 474 CD GLU A 29 -9.832 -12.958 3.946 1.00 0.15 C ATOM 475 OE1 GLU A 29 -9.498 -14.160 3.876 1.00 53.34 O ATOM 476 OE2 GLU A 29 -10.990 -12.578 3.658 1.00 20.01 O ATOM 0 H GLU A 29 -6.689 -12.021 2.652 1.00 43.41 H new ATOM 0 HA GLU A 29 -9.287 -11.577 1.560 1.00 44.23 H new ATOM 0 HB2 GLU A 29 -7.857 -10.076 3.792 1.00 21.12 H new ATOM 0 HB3 GLU A 29 -9.585 -10.128 3.505 1.00 21.12 H new ATOM 0 HG2 GLU A 29 -7.817 -12.403 4.461 1.00 60.01 H new ATOM 0 HG3 GLU A 29 -9.046 -11.558 5.381 1.00 60.01 H new ATOM 483 N TRP A 30 -8.524 -9.798 -0.156 1.00 75.22 N ATOM 484 CA TRP A 30 -8.293 -8.659 -1.067 1.00 35.02 C ATOM 485 C TRP A 30 -9.314 -7.548 -0.814 1.00 35.42 C ATOM 486 O TRP A 30 -8.956 -6.381 -0.795 1.00 20.13 O ATOM 487 CB TRP A 30 -8.313 -9.111 -2.553 1.00 13.11 C ATOM 488 CG TRP A 30 -7.377 -10.272 -2.850 1.00 35.51 C ATOM 489 CD1 TRP A 30 -7.687 -11.428 -3.520 1.00 51.33 C ATOM 490 CD2 TRP A 30 -5.991 -10.407 -2.455 1.00 2.44 C ATOM 491 NE1 TRP A 30 -6.594 -12.251 -3.569 1.00 3.31 N ATOM 492 CE2 TRP A 30 -5.546 -11.648 -2.928 1.00 63.12 C ATOM 493 CE3 TRP A 30 -5.085 -9.596 -1.751 1.00 63.15 C ATOM 494 CZ2 TRP A 30 -4.249 -12.101 -2.720 1.00 41.11 C ATOM 495 CZ3 TRP A 30 -3.797 -10.047 -1.547 1.00 33.12 C ATOM 496 CH2 TRP A 30 -3.390 -11.287 -2.031 1.00 14.43 C ATOM 0 H TRP A 30 -8.963 -10.603 -0.603 1.00 75.22 H new ATOM 0 HA TRP A 30 -7.300 -8.260 -0.860 1.00 35.02 H new ATOM 0 HB2 TRP A 30 -9.330 -9.397 -2.823 1.00 13.11 H new ATOM 0 HB3 TRP A 30 -8.041 -8.265 -3.185 1.00 13.11 H new ATOM 0 HD1 TRP A 30 -8.653 -11.656 -3.947 1.00 51.33 H new ATOM 0 HE1 TRP A 30 -6.565 -13.169 -4.013 1.00 3.31 H new ATOM 0 HE3 TRP A 30 -5.393 -8.632 -1.374 1.00 63.15 H new ATOM 0 HZ2 TRP A 30 -3.929 -13.064 -3.090 1.00 41.11 H new ATOM 0 HZ3 TRP A 30 -3.096 -9.430 -1.005 1.00 33.12 H new ATOM 0 HH2 TRP A 30 -2.375 -11.614 -1.859 1.00 14.43 H new ATOM 507 N ASP A 31 -10.571 -7.947 -0.559 1.00 35.11 N ATOM 508 CA ASP A 31 -11.690 -7.019 -0.253 1.00 53.31 C ATOM 509 C ASP A 31 -11.320 -6.126 0.946 1.00 33.32 C ATOM 510 O ASP A 31 -11.373 -4.893 0.881 1.00 13.14 O ATOM 511 CB ASP A 31 -12.979 -7.820 0.099 1.00 74.53 C ATOM 512 CG ASP A 31 -13.438 -8.791 -0.999 1.00 32.01 C ATOM 513 OD1 ASP A 31 -12.706 -9.766 -1.293 1.00 44.44 O ATOM 514 OD2 ASP A 31 -14.535 -8.601 -1.562 1.00 0.31 O ATOM 0 H ASP A 31 -10.849 -8.928 -0.558 1.00 35.11 H new ATOM 0 HA ASP A 31 -11.873 -6.403 -1.133 1.00 53.31 H new ATOM 0 HB2 ASP A 31 -12.804 -8.383 1.016 1.00 74.53 H new ATOM 0 HB3 ASP A 31 -13.785 -7.116 0.306 1.00 74.53 H new ATOM 519 N LEU A 32 -10.882 -6.801 2.016 1.00 63.01 N ATOM 520 CA LEU A 32 -10.505 -6.171 3.283 1.00 45.11 C ATOM 521 C LEU A 32 -9.201 -5.355 3.133 1.00 61.43 C ATOM 522 O LEU A 32 -9.103 -4.249 3.669 1.00 40.43 O ATOM 523 CB LEU A 32 -10.375 -7.265 4.372 1.00 71.13 C ATOM 524 CG LEU A 32 -11.667 -8.104 4.654 1.00 14.13 C ATOM 525 CD1 LEU A 32 -11.407 -9.178 5.732 1.00 12.24 C ATOM 526 CD2 LEU A 32 -12.858 -7.198 5.043 1.00 54.13 C ATOM 0 H LEU A 32 -10.779 -7.816 2.024 1.00 63.01 H new ATOM 0 HA LEU A 32 -11.281 -5.467 3.583 1.00 45.11 H new ATOM 0 HB2 LEU A 32 -9.578 -7.948 4.080 1.00 71.13 H new ATOM 0 HB3 LEU A 32 -10.063 -6.790 5.302 1.00 71.13 H new ATOM 0 HG LEU A 32 -11.935 -8.616 3.730 1.00 14.13 H new ATOM 0 HD11 LEU A 32 -12.321 -9.746 5.908 1.00 12.24 H new ATOM 0 HD12 LEU A 32 -10.621 -9.852 5.392 1.00 12.24 H new ATOM 0 HD13 LEU A 32 -11.095 -8.696 6.658 1.00 12.24 H new ATOM 0 HD21 LEU A 32 -13.737 -7.814 5.231 1.00 54.13 H new ATOM 0 HD22 LEU A 32 -12.609 -6.636 5.943 1.00 54.13 H new ATOM 0 HD23 LEU A 32 -13.069 -6.504 4.229 1.00 54.13 H new ATOM 538 N LEU A 33 -8.232 -5.904 2.363 1.00 31.32 N ATOM 539 CA LEU A 33 -6.947 -5.231 2.041 1.00 44.01 C ATOM 540 C LEU A 33 -7.184 -3.853 1.386 1.00 32.33 C ATOM 541 O LEU A 33 -6.573 -2.851 1.776 1.00 31.11 O ATOM 542 CB LEU A 33 -6.098 -6.122 1.081 1.00 1.10 C ATOM 543 CG LEU A 33 -4.737 -5.522 0.592 1.00 33.15 C ATOM 544 CD1 LEU A 33 -3.756 -5.325 1.760 1.00 72.42 C ATOM 545 CD2 LEU A 33 -4.109 -6.384 -0.518 1.00 15.31 C ATOM 0 H LEU A 33 -8.318 -6.830 1.945 1.00 31.32 H new ATOM 0 HA LEU A 33 -6.408 -5.082 2.976 1.00 44.01 H new ATOM 0 HB2 LEU A 33 -5.893 -7.067 1.584 1.00 1.10 H new ATOM 0 HB3 LEU A 33 -6.704 -6.353 0.205 1.00 1.10 H new ATOM 0 HG LEU A 33 -4.950 -4.540 0.170 1.00 33.15 H new ATOM 0 HD11 LEU A 33 -2.822 -4.907 1.384 1.00 72.42 H new ATOM 0 HD12 LEU A 33 -4.191 -4.642 2.490 1.00 72.42 H new ATOM 0 HD13 LEU A 33 -3.558 -6.286 2.235 1.00 72.42 H new ATOM 0 HD21 LEU A 33 -3.166 -5.939 -0.834 1.00 15.31 H new ATOM 0 HD22 LEU A 33 -3.927 -7.389 -0.139 1.00 15.31 H new ATOM 0 HD23 LEU A 33 -4.789 -6.435 -1.368 1.00 15.31 H new ATOM 557 N LEU A 34 -8.115 -3.831 0.415 1.00 21.14 N ATOM 558 CA LEU A 34 -8.415 -2.643 -0.405 1.00 5.14 C ATOM 559 C LEU A 34 -9.280 -1.631 0.357 1.00 33.33 C ATOM 560 O LEU A 34 -9.240 -0.429 0.059 1.00 53.32 O ATOM 561 CB LEU A 34 -9.100 -3.087 -1.720 1.00 52.40 C ATOM 562 CG LEU A 34 -8.245 -4.039 -2.611 1.00 31.11 C ATOM 563 CD1 LEU A 34 -9.051 -4.574 -3.806 1.00 54.12 C ATOM 564 CD2 LEU A 34 -6.934 -3.371 -3.060 1.00 43.52 C ATOM 0 H LEU A 34 -8.684 -4.643 0.176 1.00 21.14 H new ATOM 0 HA LEU A 34 -7.479 -2.138 -0.642 1.00 5.14 H new ATOM 0 HB2 LEU A 34 -10.038 -3.586 -1.475 1.00 52.40 H new ATOM 0 HB3 LEU A 34 -9.353 -2.199 -2.299 1.00 52.40 H new ATOM 0 HG LEU A 34 -7.973 -4.898 -1.997 1.00 31.11 H new ATOM 0 HD11 LEU A 34 -8.422 -5.234 -4.403 1.00 54.12 H new ATOM 0 HD12 LEU A 34 -9.916 -5.129 -3.442 1.00 54.12 H new ATOM 0 HD13 LEU A 34 -9.388 -3.739 -4.421 1.00 54.12 H new ATOM 0 HD21 LEU A 34 -6.365 -4.065 -3.679 1.00 43.52 H new ATOM 0 HD22 LEU A 34 -7.161 -2.474 -3.636 1.00 43.52 H new ATOM 0 HD23 LEU A 34 -6.345 -3.100 -2.184 1.00 43.52 H new ATOM 576 N GLN A 35 -10.061 -2.119 1.340 1.00 13.32 N ATOM 577 CA GLN A 35 -10.812 -1.245 2.263 1.00 0.22 C ATOM 578 C GLN A 35 -9.833 -0.449 3.152 1.00 74.54 C ATOM 579 O GLN A 35 -10.056 0.731 3.450 1.00 70.31 O ATOM 580 CB GLN A 35 -11.790 -2.078 3.144 1.00 1.32 C ATOM 581 CG GLN A 35 -12.705 -1.242 4.076 1.00 32.55 C ATOM 582 CD GLN A 35 -13.581 -0.202 3.349 1.00 73.13 C ATOM 583 OE1 GLN A 35 -13.879 0.864 3.893 1.00 61.01 O ATOM 584 NE2 GLN A 35 -14.030 -0.503 2.134 1.00 54.33 N ATOM 0 H GLN A 35 -10.189 -3.116 1.516 1.00 13.32 H new ATOM 0 HA GLN A 35 -11.402 -0.545 1.671 1.00 0.22 H new ATOM 0 HB2 GLN A 35 -12.418 -2.683 2.490 1.00 1.32 H new ATOM 0 HB3 GLN A 35 -11.207 -2.768 3.755 1.00 1.32 H new ATOM 0 HG2 GLN A 35 -13.354 -1.920 4.631 1.00 32.55 H new ATOM 0 HG3 GLN A 35 -12.083 -0.726 4.807 1.00 32.55 H new ATOM 0 HE21 GLN A 35 -13.773 -1.390 1.700 1.00 54.33 H new ATOM 0 HE22 GLN A 35 -14.632 0.153 1.636 1.00 54.33 H new ATOM 593 N GLN A 36 -8.736 -1.120 3.550 1.00 32.41 N ATOM 594 CA GLN A 36 -7.685 -0.517 4.386 1.00 33.14 C ATOM 595 C GLN A 36 -6.726 0.346 3.545 1.00 12.50 C ATOM 596 O GLN A 36 -6.155 1.299 4.068 1.00 34.33 O ATOM 597 CB GLN A 36 -6.886 -1.613 5.132 1.00 24.42 C ATOM 598 CG GLN A 36 -7.733 -2.571 5.989 1.00 64.42 C ATOM 599 CD GLN A 36 -8.525 -1.888 7.103 1.00 42.02 C ATOM 600 OE1 GLN A 36 -8.113 -0.869 7.655 1.00 31.04 O ATOM 601 NE2 GLN A 36 -9.667 -2.448 7.449 1.00 13.23 N ATOM 0 H GLN A 36 -8.555 -2.092 3.301 1.00 32.41 H new ATOM 0 HA GLN A 36 -8.176 0.127 5.116 1.00 33.14 H new ATOM 0 HB2 GLN A 36 -6.333 -2.200 4.399 1.00 24.42 H new ATOM 0 HB3 GLN A 36 -6.150 -1.130 5.775 1.00 24.42 H new ATOM 0 HG2 GLN A 36 -8.428 -3.102 5.339 1.00 64.42 H new ATOM 0 HG3 GLN A 36 -7.076 -3.319 6.433 1.00 64.42 H new ATOM 0 HE21 GLN A 36 -9.985 -3.293 6.974 1.00 13.23 H new ATOM 0 HE22 GLN A 36 -10.233 -2.036 8.191 1.00 13.23 H new ATOM 610 N GLU A 37 -6.570 -0.013 2.248 1.00 14.21 N ATOM 611 CA GLU A 37 -5.676 0.670 1.280 1.00 75.31 C ATOM 612 C GLU A 37 -5.903 2.188 1.271 1.00 14.22 C ATOM 613 O GLU A 37 -4.972 2.961 1.508 1.00 73.21 O ATOM 614 CB GLU A 37 -5.931 0.115 -0.154 1.00 1.54 C ATOM 615 CG GLU A 37 -5.226 0.897 -1.298 1.00 60.33 C ATOM 616 CD GLU A 37 -5.686 0.545 -2.725 1.00 63.45 C ATOM 617 OE1 GLU A 37 -6.696 -0.159 -2.889 1.00 72.41 O ATOM 618 OE2 GLU A 37 -5.069 1.035 -3.693 1.00 11.24 O ATOM 0 H GLU A 37 -7.071 -0.800 1.837 1.00 14.21 H new ATOM 0 HA GLU A 37 -4.649 0.476 1.588 1.00 75.31 H new ATOM 0 HB2 GLU A 37 -5.603 -0.924 -0.189 1.00 1.54 H new ATOM 0 HB3 GLU A 37 -7.005 0.116 -0.342 1.00 1.54 H new ATOM 0 HG2 GLU A 37 -5.385 1.963 -1.137 1.00 60.33 H new ATOM 0 HG3 GLU A 37 -4.153 0.720 -1.227 1.00 60.33 H new ATOM 625 N VAL A 38 -7.162 2.582 0.999 1.00 12.12 N ATOM 626 CA VAL A 38 -7.549 3.995 0.850 1.00 12.30 C ATOM 627 C VAL A 38 -7.191 4.822 2.098 1.00 62.12 C ATOM 628 O VAL A 38 -6.554 5.862 1.978 1.00 14.13 O ATOM 629 CB VAL A 38 -9.075 4.145 0.490 1.00 54.35 C ATOM 630 CG1 VAL A 38 -9.356 3.598 -0.926 1.00 61.34 C ATOM 631 CG2 VAL A 38 -9.988 3.460 1.533 1.00 34.54 C ATOM 0 H VAL A 38 -7.937 1.930 0.877 1.00 12.12 H new ATOM 0 HA VAL A 38 -6.971 4.394 0.016 1.00 12.30 H new ATOM 0 HB VAL A 38 -9.309 5.209 0.507 1.00 54.35 H new ATOM 0 HG11 VAL A 38 -10.416 3.711 -1.156 1.00 61.34 H new ATOM 0 HG12 VAL A 38 -8.766 4.154 -1.654 1.00 61.34 H new ATOM 0 HG13 VAL A 38 -9.086 2.543 -0.969 1.00 61.34 H new ATOM 0 HG21 VAL A 38 -11.031 3.589 1.244 1.00 34.54 H new ATOM 0 HG22 VAL A 38 -9.753 2.397 1.580 1.00 34.54 H new ATOM 0 HG23 VAL A 38 -9.824 3.911 2.512 1.00 34.54 H new ATOM 641 N SER A 39 -7.536 4.304 3.290 1.00 50.33 N ATOM 642 CA SER A 39 -7.276 4.983 4.566 1.00 10.25 C ATOM 643 C SER A 39 -5.769 5.033 4.878 1.00 5.54 C ATOM 644 O SER A 39 -5.268 6.043 5.361 1.00 4.02 O ATOM 645 CB SER A 39 -8.049 4.275 5.694 1.00 51.14 C ATOM 646 OG SER A 39 -7.780 2.879 5.722 1.00 35.03 O ATOM 0 H SER A 39 -8.003 3.403 3.393 1.00 50.33 H new ATOM 0 HA SER A 39 -7.623 6.013 4.489 1.00 10.25 H new ATOM 0 HB2 SER A 39 -7.778 4.717 6.653 1.00 51.14 H new ATOM 0 HB3 SER A 39 -9.118 4.437 5.559 1.00 51.14 H new ATOM 0 HG SER A 39 -7.152 2.652 5.005 1.00 35.03 H new ATOM 652 N TYR A 40 -5.062 3.944 4.539 1.00 64.45 N ATOM 653 CA TYR A 40 -3.636 3.757 4.848 1.00 72.23 C ATOM 654 C TYR A 40 -2.757 4.727 4.049 1.00 41.02 C ATOM 655 O TYR A 40 -2.012 5.530 4.639 1.00 34.10 O ATOM 656 CB TYR A 40 -3.244 2.290 4.555 1.00 53.13 C ATOM 657 CG TYR A 40 -1.753 1.978 4.668 1.00 64.45 C ATOM 658 CD1 TYR A 40 -1.038 2.277 5.829 1.00 71.21 C ATOM 659 CD2 TYR A 40 -1.057 1.377 3.612 1.00 33.12 C ATOM 660 CE1 TYR A 40 0.300 1.987 5.928 1.00 64.35 C ATOM 661 CE2 TYR A 40 0.282 1.087 3.715 1.00 43.41 C ATOM 662 CZ TYR A 40 0.956 1.393 4.874 1.00 41.14 C ATOM 663 OH TYR A 40 2.291 1.096 4.986 1.00 25.35 O ATOM 0 H TYR A 40 -5.471 3.157 4.035 1.00 64.45 H new ATOM 0 HA TYR A 40 -3.472 3.974 5.904 1.00 72.23 H new ATOM 0 HB2 TYR A 40 -3.787 1.642 5.243 1.00 53.13 H new ATOM 0 HB3 TYR A 40 -3.576 2.037 3.548 1.00 53.13 H new ATOM 0 HD1 TYR A 40 -1.545 2.743 6.661 1.00 71.21 H new ATOM 0 HD2 TYR A 40 -1.583 1.137 2.700 1.00 33.12 H new ATOM 0 HE1 TYR A 40 0.838 2.225 6.834 1.00 64.35 H new ATOM 0 HE2 TYR A 40 0.802 0.622 2.891 1.00 43.41 H new ATOM 0 HH TYR A 40 2.574 1.206 5.918 1.00 25.35 H new ATOM 673 N LEU A 41 -2.859 4.635 2.712 1.00 2.41 N ATOM 674 CA LEU A 41 -2.095 5.480 1.792 1.00 61.04 C ATOM 675 C LEU A 41 -2.434 6.959 2.023 1.00 4.33 C ATOM 676 O LEU A 41 -1.533 7.790 2.064 1.00 65.21 O ATOM 677 CB LEU A 41 -2.370 5.063 0.319 1.00 24.12 C ATOM 678 CG LEU A 41 -1.949 3.605 -0.071 1.00 34.43 C ATOM 679 CD1 LEU A 41 -2.347 3.280 -1.528 1.00 14.22 C ATOM 680 CD2 LEU A 41 -0.434 3.380 0.155 1.00 23.54 C ATOM 0 H LEU A 41 -3.475 3.971 2.243 1.00 2.41 H new ATOM 0 HA LEU A 41 -1.031 5.343 1.987 1.00 61.04 H new ATOM 0 HB2 LEU A 41 -3.436 5.177 0.123 1.00 24.12 H new ATOM 0 HB3 LEU A 41 -1.849 5.759 -0.338 1.00 24.12 H new ATOM 0 HG LEU A 41 -2.488 2.920 0.583 1.00 34.43 H new ATOM 0 HD11 LEU A 41 -2.042 2.262 -1.770 1.00 14.22 H new ATOM 0 HD12 LEU A 41 -3.427 3.371 -1.639 1.00 14.22 H new ATOM 0 HD13 LEU A 41 -1.853 3.977 -2.204 1.00 14.22 H new ATOM 0 HD21 LEU A 41 -0.172 2.359 -0.124 1.00 23.54 H new ATOM 0 HD22 LEU A 41 0.133 4.081 -0.457 1.00 23.54 H new ATOM 0 HD23 LEU A 41 -0.195 3.541 1.206 1.00 23.54 H new ATOM 692 N GLN A 42 -3.741 7.257 2.238 1.00 14.04 N ATOM 693 CA GLN A 42 -4.220 8.633 2.498 1.00 15.02 C ATOM 694 C GLN A 42 -3.650 9.205 3.810 1.00 33.22 C ATOM 695 O GLN A 42 -3.391 10.403 3.888 1.00 13.33 O ATOM 696 CB GLN A 42 -5.763 8.669 2.520 1.00 63.22 C ATOM 697 CG GLN A 42 -6.399 10.059 2.716 1.00 21.42 C ATOM 698 CD GLN A 42 -7.935 10.044 2.718 1.00 43.31 C ATOM 699 OE1 GLN A 42 -8.546 8.969 3.223 1.00 32.22 O flip ATOM 700 NE2 GLN A 42 -8.571 11.010 2.286 1.00 50.42 N flip ATOM 0 H GLN A 42 -4.483 6.557 2.236 1.00 14.04 H new ATOM 0 HA GLN A 42 -3.860 9.263 1.685 1.00 15.02 H new ATOM 0 HB2 GLN A 42 -6.131 8.251 1.583 1.00 63.22 H new ATOM 0 HB3 GLN A 42 -6.111 8.015 3.319 1.00 63.22 H new ATOM 0 HG2 GLN A 42 -6.048 10.479 3.659 1.00 21.42 H new ATOM 0 HG3 GLN A 42 -6.053 10.722 1.923 1.00 21.42 H new ATOM 0 HE21 GLN A 42 -8.077 11.817 1.906 1.00 50.42 H new ATOM 0 HE22 GLN A 42 -9.591 11.001 2.309 1.00 50.42 H new ATOM 709 N SER A 43 -3.460 8.339 4.830 1.00 61.52 N ATOM 710 CA SER A 43 -2.845 8.740 6.113 1.00 22.04 C ATOM 711 C SER A 43 -1.368 9.145 5.913 1.00 74.03 C ATOM 712 O SER A 43 -0.914 10.162 6.459 1.00 41.11 O ATOM 713 CB SER A 43 -2.976 7.617 7.166 1.00 51.21 C ATOM 714 OG SER A 43 -4.331 7.387 7.511 1.00 42.51 O ATOM 0 H SER A 43 -3.725 7.355 4.788 1.00 61.52 H new ATOM 0 HA SER A 43 -3.384 9.611 6.487 1.00 22.04 H new ATOM 0 HB2 SER A 43 -2.537 6.698 6.777 1.00 51.21 H new ATOM 0 HB3 SER A 43 -2.412 7.886 8.059 1.00 51.21 H new ATOM 0 HG SER A 43 -4.732 6.766 6.867 1.00 42.51 H new ATOM 720 N ILE A 44 -0.640 8.360 5.093 1.00 13.22 N ATOM 721 CA ILE A 44 0.768 8.650 4.747 1.00 0.14 C ATOM 722 C ILE A 44 0.867 9.975 3.946 1.00 71.22 C ATOM 723 O ILE A 44 1.724 10.839 4.212 1.00 44.52 O ATOM 724 CB ILE A 44 1.408 7.480 3.919 1.00 32.14 C ATOM 725 CG1 ILE A 44 1.255 6.118 4.665 1.00 41.51 C ATOM 726 CG2 ILE A 44 2.894 7.779 3.621 1.00 73.02 C ATOM 727 CD1 ILE A 44 1.750 4.908 3.891 1.00 33.31 C ATOM 0 H ILE A 44 -1.006 7.515 4.655 1.00 13.22 H new ATOM 0 HA ILE A 44 1.322 8.751 5.680 1.00 0.14 H new ATOM 0 HB ILE A 44 0.876 7.403 2.971 1.00 32.14 H new ATOM 0 HG12 ILE A 44 1.797 6.174 5.609 1.00 41.51 H new ATOM 0 HG13 ILE A 44 0.203 5.970 4.909 1.00 41.51 H new ATOM 0 HG21 ILE A 44 3.322 6.958 3.046 1.00 73.02 H new ATOM 0 HG22 ILE A 44 2.971 8.702 3.047 1.00 73.02 H new ATOM 0 HG23 ILE A 44 3.438 7.888 4.559 1.00 73.02 H new ATOM 0 HD11 ILE A 44 1.603 4.009 4.489 1.00 33.31 H new ATOM 0 HD12 ILE A 44 1.192 4.819 2.959 1.00 33.31 H new ATOM 0 HD13 ILE A 44 2.811 5.027 3.669 1.00 33.31 H new ATOM 739 N GLU A 45 -0.054 10.122 2.984 1.00 11.02 N ATOM 740 CA GLU A 45 -0.153 11.308 2.124 1.00 54.35 C ATOM 741 C GLU A 45 -0.421 12.561 2.968 1.00 3.22 C ATOM 742 O GLU A 45 0.303 13.542 2.850 1.00 40.45 O ATOM 743 CB GLU A 45 -1.253 11.109 1.039 1.00 42.21 C ATOM 744 CG GLU A 45 -0.909 10.056 -0.041 1.00 3.34 C ATOM 745 CD GLU A 45 -2.092 9.758 -0.977 1.00 42.31 C ATOM 746 OE1 GLU A 45 -2.240 10.433 -2.017 1.00 12.22 O ATOM 747 OE2 GLU A 45 -2.897 8.855 -0.668 1.00 60.14 O ATOM 0 H GLU A 45 -0.758 9.413 2.779 1.00 11.02 H new ATOM 0 HA GLU A 45 0.798 11.447 1.610 1.00 54.35 H new ATOM 0 HB2 GLU A 45 -2.181 10.816 1.530 1.00 42.21 H new ATOM 0 HB3 GLU A 45 -1.439 12.065 0.549 1.00 42.21 H new ATOM 0 HG2 GLU A 45 -0.064 10.410 -0.632 1.00 3.34 H new ATOM 0 HG3 GLU A 45 -0.594 9.133 0.445 1.00 3.34 H new ATOM 754 N THR A 46 -1.404 12.487 3.884 1.00 22.10 N ATOM 755 CA THR A 46 -1.847 13.663 4.642 1.00 54.10 C ATOM 756 C THR A 46 -0.806 14.100 5.690 1.00 13.13 C ATOM 757 O THR A 46 -0.754 15.277 6.017 1.00 33.00 O ATOM 758 CB THR A 46 -3.252 13.462 5.304 1.00 35.42 C ATOM 759 OG1 THR A 46 -3.725 14.704 5.853 1.00 4.42 O ATOM 760 CG2 THR A 46 -3.242 12.407 6.414 1.00 70.03 C ATOM 0 H THR A 46 -1.902 11.627 4.114 1.00 22.10 H new ATOM 0 HA THR A 46 -1.947 14.467 3.912 1.00 54.10 H new ATOM 0 HB THR A 46 -3.916 13.112 4.514 1.00 35.42 H new ATOM 0 HG1 THR A 46 -4.605 14.567 6.263 1.00 4.42 H new ATOM 0 HG21 THR A 46 -4.243 12.312 6.835 1.00 70.03 H new ATOM 0 HG22 THR A 46 -2.929 11.448 6.001 1.00 70.03 H new ATOM 0 HG23 THR A 46 -2.547 12.709 7.197 1.00 70.03 H new ATOM 768 N VAL A 47 0.027 13.162 6.216 1.00 12.43 N ATOM 769 CA VAL A 47 1.121 13.538 7.153 1.00 34.01 C ATOM 770 C VAL A 47 2.302 14.189 6.406 1.00 65.41 C ATOM 771 O VAL A 47 2.996 15.035 6.972 1.00 62.22 O ATOM 772 CB VAL A 47 1.653 12.338 8.032 1.00 72.43 C ATOM 773 CG1 VAL A 47 0.542 11.760 8.922 1.00 41.41 C ATOM 774 CG2 VAL A 47 2.296 11.233 7.179 1.00 62.30 C ATOM 0 H VAL A 47 -0.034 12.164 6.014 1.00 12.43 H new ATOM 0 HA VAL A 47 0.671 14.259 7.835 1.00 34.01 H new ATOM 0 HB VAL A 47 2.431 12.745 8.678 1.00 72.43 H new ATOM 0 HG11 VAL A 47 0.941 10.936 9.514 1.00 41.41 H new ATOM 0 HG12 VAL A 47 0.168 12.537 9.588 1.00 41.41 H new ATOM 0 HG13 VAL A 47 -0.273 11.396 8.296 1.00 41.41 H new ATOM 0 HG21 VAL A 47 2.646 10.430 7.828 1.00 62.30 H new ATOM 0 HG22 VAL A 47 1.559 10.839 6.479 1.00 62.30 H new ATOM 0 HG23 VAL A 47 3.139 11.645 6.625 1.00 62.30 H new ATOM 784 N MET A 48 2.533 13.780 5.140 1.00 65.44 N ATOM 785 CA MET A 48 3.654 14.302 4.321 1.00 65.25 C ATOM 786 C MET A 48 3.281 15.575 3.540 1.00 41.51 C ATOM 787 O MET A 48 4.169 16.337 3.145 1.00 44.41 O ATOM 788 CB MET A 48 4.170 13.195 3.377 1.00 23.43 C ATOM 789 CG MET A 48 4.880 12.056 4.116 1.00 21.24 C ATOM 790 SD MET A 48 6.402 12.612 4.913 1.00 33.43 S ATOM 791 CE MET A 48 7.030 11.086 5.604 1.00 60.23 C ATOM 0 H MET A 48 1.958 13.088 4.660 1.00 65.44 H new ATOM 0 HA MET A 48 4.453 14.593 5.003 1.00 65.25 H new ATOM 0 HB2 MET A 48 3.331 12.787 2.813 1.00 23.43 H new ATOM 0 HB3 MET A 48 4.857 13.634 2.653 1.00 23.43 H new ATOM 0 HG2 MET A 48 4.210 11.638 4.867 1.00 21.24 H new ATOM 0 HG3 MET A 48 5.110 11.256 3.413 1.00 21.24 H new ATOM 0 HE1 MET A 48 7.213 11.218 6.670 1.00 60.23 H new ATOM 0 HE2 MET A 48 6.298 10.292 5.457 1.00 60.23 H new ATOM 0 HE3 MET A 48 7.962 10.818 5.107 1.00 60.23 H new ATOM 801 N GLU A 49 1.978 15.790 3.302 1.00 3.44 N ATOM 802 CA GLU A 49 1.463 17.049 2.709 1.00 50.03 C ATOM 803 C GLU A 49 1.277 18.118 3.804 1.00 3.54 C ATOM 804 O GLU A 49 1.348 19.320 3.530 1.00 74.30 O ATOM 805 CB GLU A 49 0.130 16.791 1.956 1.00 22.01 C ATOM 806 CG GLU A 49 0.245 15.846 0.739 1.00 41.42 C ATOM 807 CD GLU A 49 1.151 16.391 -0.375 1.00 22.31 C ATOM 808 OE1 GLU A 49 2.334 16.001 -0.454 1.00 53.42 O ATOM 809 OE2 GLU A 49 0.679 17.219 -1.181 1.00 34.43 O ATOM 0 H GLU A 49 1.251 15.106 3.511 1.00 3.44 H new ATOM 0 HA GLU A 49 2.192 17.419 1.988 1.00 50.03 H new ATOM 0 HB2 GLU A 49 -0.591 16.371 2.657 1.00 22.01 H new ATOM 0 HB3 GLU A 49 -0.272 17.747 1.619 1.00 22.01 H new ATOM 0 HG2 GLU A 49 0.631 14.883 1.072 1.00 41.42 H new ATOM 0 HG3 GLU A 49 -0.750 15.667 0.332 1.00 41.42 H new ATOM 816 N LYS A 50 1.007 17.650 5.036 1.00 63.20 N ATOM 817 CA LYS A 50 1.006 18.490 6.252 1.00 41.45 C ATOM 818 C LYS A 50 2.467 18.835 6.603 1.00 61.51 C ATOM 819 O LYS A 50 2.767 19.962 7.008 1.00 12.41 O ATOM 820 CB LYS A 50 0.294 17.712 7.412 1.00 42.12 C ATOM 821 CG LYS A 50 -0.111 18.517 8.678 1.00 55.21 C ATOM 822 CD LYS A 50 1.046 18.775 9.663 1.00 4.24 C ATOM 823 CE LYS A 50 0.594 19.596 10.877 1.00 23.30 C ATOM 824 NZ LYS A 50 0.040 20.925 10.494 1.00 73.51 N ATOM 0 H LYS A 50 0.782 16.672 5.219 1.00 63.20 H new ATOM 0 HA LYS A 50 0.460 19.420 6.092 1.00 41.45 H new ATOM 0 HB2 LYS A 50 -0.606 17.252 7.005 1.00 42.12 H new ATOM 0 HB3 LYS A 50 0.952 16.902 7.726 1.00 42.12 H new ATOM 0 HG2 LYS A 50 -0.528 19.475 8.367 1.00 55.21 H new ATOM 0 HG3 LYS A 50 -0.903 17.978 9.199 1.00 55.21 H new ATOM 0 HD2 LYS A 50 1.454 17.822 10.001 1.00 4.24 H new ATOM 0 HD3 LYS A 50 1.850 19.301 9.148 1.00 4.24 H new ATOM 0 HE2 LYS A 50 -0.161 19.037 11.429 1.00 23.30 H new ATOM 0 HE3 LYS A 50 1.440 19.739 11.550 1.00 23.30 H new ATOM 0 HZ1 LYS A 50 -0.061 21.517 11.343 1.00 73.51 H new ATOM 0 HZ2 LYS A 50 0.684 21.389 9.823 1.00 73.51 H new ATOM 0 HZ3 LYS A 50 -0.891 20.798 10.048 1.00 73.51 H new ATOM 838 N GLN A 51 3.351 17.816 6.409 1.00 2.04 N ATOM 839 CA GLN A 51 4.805 17.850 6.702 1.00 44.45 C ATOM 840 C GLN A 51 5.072 17.804 8.223 1.00 74.21 C ATOM 841 O GLN A 51 4.417 18.518 8.997 1.00 42.13 O ATOM 842 CB GLN A 51 5.530 19.053 6.010 1.00 53.30 C ATOM 843 CG GLN A 51 5.471 19.003 4.462 1.00 54.00 C ATOM 844 CD GLN A 51 6.046 20.240 3.760 1.00 34.04 C ATOM 845 OE1 GLN A 51 6.942 20.913 4.271 1.00 11.13 O ATOM 846 NE2 GLN A 51 5.546 20.536 2.571 1.00 72.14 N ATOM 0 H GLN A 51 3.055 16.917 6.030 1.00 2.04 H new ATOM 0 HA GLN A 51 5.238 16.949 6.268 1.00 44.45 H new ATOM 0 HB2 GLN A 51 5.079 19.984 6.353 1.00 53.30 H new ATOM 0 HB3 GLN A 51 6.573 19.068 6.326 1.00 53.30 H new ATOM 0 HG2 GLN A 51 6.014 18.122 4.119 1.00 54.00 H new ATOM 0 HG3 GLN A 51 4.433 18.877 4.155 1.00 54.00 H new ATOM 0 HE21 GLN A 51 4.804 19.961 2.172 1.00 72.14 H new ATOM 0 HE22 GLN A 51 5.903 21.339 2.053 1.00 72.14 H new ATOM 855 N THR A 52 6.024 16.927 8.622 1.00 54.53 N ATOM 856 CA THR A 52 6.442 16.720 10.019 1.00 53.22 C ATOM 857 C THR A 52 6.824 18.064 10.701 1.00 63.20 C ATOM 858 O THR A 52 7.797 18.706 10.281 1.00 41.34 O ATOM 859 CB THR A 52 7.654 15.719 10.073 1.00 3.13 C ATOM 860 OG1 THR A 52 7.263 14.443 9.530 1.00 11.43 O ATOM 861 CG2 THR A 52 8.208 15.529 11.503 1.00 14.03 C ATOM 0 H THR A 52 6.530 16.334 7.964 1.00 54.53 H new ATOM 0 HA THR A 52 5.600 16.296 10.566 1.00 53.22 H new ATOM 0 HB THR A 52 8.453 16.154 9.472 1.00 3.13 H new ATOM 0 HG1 THR A 52 8.023 13.826 9.565 1.00 11.43 H new ATOM 0 HG21 THR A 52 9.043 14.828 11.480 1.00 14.03 H new ATOM 0 HG22 THR A 52 8.550 16.488 11.891 1.00 14.03 H new ATOM 0 HG23 THR A 52 7.422 15.136 12.148 1.00 14.03 H new ATOM 869 N PRO A 53 6.027 18.535 11.725 1.00 52.13 N ATOM 870 CA PRO A 53 6.324 19.794 12.451 1.00 24.31 C ATOM 871 C PRO A 53 7.663 19.713 13.230 1.00 63.31 C ATOM 872 O PRO A 53 8.029 18.634 13.703 1.00 12.52 O ATOM 873 CB PRO A 53 5.107 19.961 13.408 1.00 63.04 C ATOM 874 CG PRO A 53 4.518 18.590 13.550 1.00 51.24 C ATOM 875 CD PRO A 53 4.779 17.889 12.236 1.00 1.33 C ATOM 0 HA PRO A 53 6.451 20.643 11.780 1.00 24.31 H new ATOM 0 HB2 PRO A 53 5.419 20.356 14.375 1.00 63.04 H new ATOM 0 HB3 PRO A 53 4.379 20.661 12.998 1.00 63.04 H new ATOM 0 HG2 PRO A 53 4.978 18.051 14.378 1.00 51.24 H new ATOM 0 HG3 PRO A 53 3.450 18.644 13.759 1.00 51.24 H new ATOM 0 HD2 PRO A 53 4.913 16.816 12.375 1.00 1.33 H new ATOM 0 HD3 PRO A 53 3.949 18.019 11.542 1.00 1.33 H new ATOM 883 N PRO A 54 8.427 20.845 13.362 1.00 12.34 N ATOM 884 CA PRO A 54 9.691 20.873 14.148 1.00 72.21 C ATOM 885 C PRO A 54 9.482 20.638 15.664 1.00 2.33 C ATOM 886 O PRO A 54 10.438 20.326 16.386 1.00 61.41 O ATOM 887 CB PRO A 54 10.263 22.294 13.872 1.00 14.05 C ATOM 888 CG PRO A 54 9.552 22.762 12.636 1.00 52.40 C ATOM 889 CD PRO A 54 8.168 22.164 12.723 1.00 1.23 C ATOM 0 HA PRO A 54 10.361 20.066 13.850 1.00 72.21 H new ATOM 0 HB2 PRO A 54 10.079 22.964 14.712 1.00 14.05 H new ATOM 0 HB3 PRO A 54 11.342 22.263 13.720 1.00 14.05 H new ATOM 0 HG2 PRO A 54 9.509 23.850 12.595 1.00 52.40 H new ATOM 0 HG3 PRO A 54 10.068 22.430 11.735 1.00 52.40 H new ATOM 0 HD2 PRO A 54 7.497 22.780 13.321 1.00 1.23 H new ATOM 0 HD3 PRO A 54 7.710 22.056 11.740 1.00 1.23 H new ATOM 897 N GLY A 55 8.230 20.803 16.133 1.00 1.32 N ATOM 898 CA GLY A 55 7.893 20.651 17.547 1.00 71.23 C ATOM 899 C GLY A 55 7.508 19.228 17.921 1.00 42.24 C ATOM 900 O GLY A 55 6.367 18.970 18.315 1.00 5.23 O ATOM 0 H GLY A 55 7.435 21.043 15.541 1.00 1.32 H new ATOM 0 HA2 GLY A 55 8.745 20.961 18.152 1.00 71.23 H new ATOM 0 HA3 GLY A 55 7.068 21.320 17.791 1.00 71.23 H new ATOM 904 N ILE A 56 8.463 18.291 17.767 1.00 34.31 N ATOM 905 CA ILE A 56 8.304 16.879 18.167 1.00 21.30 C ATOM 906 C ILE A 56 9.336 16.555 19.264 1.00 23.32 C ATOM 907 O ILE A 56 10.542 16.606 19.008 1.00 45.25 O ATOM 908 CB ILE A 56 8.501 15.918 16.925 1.00 45.14 C ATOM 909 CG1 ILE A 56 7.521 16.295 15.766 1.00 42.30 C ATOM 910 CG2 ILE A 56 8.343 14.431 17.322 1.00 53.42 C ATOM 911 CD1 ILE A 56 6.050 16.302 16.146 1.00 13.44 C ATOM 0 H ILE A 56 9.375 18.494 17.358 1.00 34.31 H new ATOM 0 HA ILE A 56 7.296 16.724 18.551 1.00 21.30 H new ATOM 0 HB ILE A 56 9.521 16.053 16.566 1.00 45.14 H new ATOM 0 HG12 ILE A 56 7.789 17.283 15.391 1.00 42.30 H new ATOM 0 HG13 ILE A 56 7.665 15.592 14.945 1.00 42.30 H new ATOM 0 HG21 ILE A 56 8.485 13.803 16.443 1.00 53.42 H new ATOM 0 HG22 ILE A 56 9.088 14.175 18.076 1.00 53.42 H new ATOM 0 HG23 ILE A 56 7.345 14.267 17.728 1.00 53.42 H new ATOM 0 HD11 ILE A 56 5.451 16.575 15.277 1.00 13.44 H new ATOM 0 HD12 ILE A 56 5.759 15.310 16.491 1.00 13.44 H new ATOM 0 HD13 ILE A 56 5.884 17.026 16.943 1.00 13.44 H new ATOM 923 N THR A 57 8.865 16.247 20.492 1.00 34.14 N ATOM 924 CA THR A 57 9.759 15.930 21.626 1.00 11.43 C ATOM 925 C THR A 57 10.337 14.502 21.476 1.00 30.31 C ATOM 926 O THR A 57 9.926 13.762 20.576 1.00 22.50 O ATOM 927 CB THR A 57 9.027 16.104 23.007 1.00 10.44 C ATOM 928 OG1 THR A 57 9.988 16.090 24.073 1.00 14.40 O ATOM 929 CG2 THR A 57 7.979 15.010 23.269 1.00 40.34 C ATOM 0 H THR A 57 7.872 16.211 20.723 1.00 34.14 H new ATOM 0 HA THR A 57 10.586 16.639 21.609 1.00 11.43 H new ATOM 0 HB THR A 57 8.506 17.060 22.967 1.00 10.44 H new ATOM 0 HG1 THR A 57 10.059 16.987 24.461 1.00 14.40 H new ATOM 0 HG21 THR A 57 7.507 15.182 24.236 1.00 40.34 H new ATOM 0 HG22 THR A 57 7.221 15.037 22.486 1.00 40.34 H new ATOM 0 HG23 THR A 57 8.464 14.034 23.271 1.00 40.34 H new ATOM 937 N ARG A 58 11.246 14.113 22.395 1.00 61.42 N ATOM 938 CA ARG A 58 11.993 12.830 22.310 1.00 72.14 C ATOM 939 C ARG A 58 11.049 11.621 22.485 1.00 15.42 C ATOM 940 O ARG A 58 11.265 10.573 21.879 1.00 2.02 O ATOM 941 CB ARG A 58 13.156 12.759 23.372 1.00 51.12 C ATOM 942 CG ARG A 58 12.723 12.547 24.856 1.00 32.14 C ATOM 943 CD ARG A 58 11.979 13.748 25.471 1.00 21.53 C ATOM 944 NE ARG A 58 11.357 13.439 26.772 1.00 44.11 N ATOM 945 CZ ARG A 58 10.456 14.221 27.396 1.00 0.33 C ATOM 946 NH1 ARG A 58 10.051 15.365 26.850 1.00 64.23 N ATOM 947 NH2 ARG A 58 9.955 13.857 28.569 1.00 35.32 N ATOM 0 H ARG A 58 11.485 14.672 23.214 1.00 61.42 H new ATOM 0 HA ARG A 58 12.436 12.789 21.315 1.00 72.14 H new ATOM 0 HB2 ARG A 58 13.827 11.947 23.092 1.00 51.12 H new ATOM 0 HB3 ARG A 58 13.732 13.683 23.312 1.00 51.12 H new ATOM 0 HG2 ARG A 58 12.082 11.667 24.914 1.00 32.14 H new ATOM 0 HG3 ARG A 58 13.609 12.336 25.455 1.00 32.14 H new ATOM 0 HD2 ARG A 58 12.678 14.575 25.596 1.00 21.53 H new ATOM 0 HD3 ARG A 58 11.208 14.084 24.777 1.00 21.53 H new ATOM 0 HE ARG A 58 11.629 12.570 27.232 1.00 44.11 H new ATOM 0 HH11 ARG A 58 10.424 15.659 25.947 1.00 64.23 H new ATOM 0 HH12 ARG A 58 9.368 15.947 27.334 1.00 64.23 H new ATOM 0 HH21 ARG A 58 10.252 12.982 29.001 1.00 35.32 H new ATOM 0 HH22 ARG A 58 9.273 14.452 29.039 1.00 35.32 H new ATOM 961 N SER A 59 9.988 11.795 23.301 1.00 61.13 N ATOM 962 CA SER A 59 9.003 10.740 23.572 1.00 10.05 C ATOM 963 C SER A 59 8.137 10.479 22.328 1.00 63.04 C ATOM 964 O SER A 59 7.962 9.335 21.908 1.00 35.44 O ATOM 965 CB SER A 59 8.132 11.154 24.770 1.00 44.13 C ATOM 966 OG SER A 59 8.942 11.515 25.877 1.00 72.40 O ATOM 0 H SER A 59 9.795 12.671 23.787 1.00 61.13 H new ATOM 0 HA SER A 59 9.523 9.813 23.815 1.00 10.05 H new ATOM 0 HB2 SER A 59 7.495 11.993 24.490 1.00 44.13 H new ATOM 0 HB3 SER A 59 7.473 10.332 25.048 1.00 44.13 H new ATOM 0 HG SER A 59 8.371 11.777 26.629 1.00 72.40 H new ATOM 972 N ILE A 60 7.651 11.579 21.725 1.00 51.01 N ATOM 973 CA ILE A 60 6.778 11.547 20.541 1.00 11.23 C ATOM 974 C ILE A 60 7.557 11.060 19.305 1.00 72.34 C ATOM 975 O ILE A 60 7.019 10.301 18.490 1.00 4.55 O ATOM 976 CB ILE A 60 6.120 12.960 20.294 1.00 71.11 C ATOM 977 CG1 ILE A 60 5.215 13.336 21.511 1.00 61.05 C ATOM 978 CG2 ILE A 60 5.314 13.005 18.967 1.00 42.32 C ATOM 979 CD1 ILE A 60 4.634 14.734 21.464 1.00 12.33 C ATOM 0 H ILE A 60 7.856 12.524 22.050 1.00 51.01 H new ATOM 0 HA ILE A 60 5.972 10.837 20.724 1.00 11.23 H new ATOM 0 HB ILE A 60 6.920 13.695 20.199 1.00 71.11 H new ATOM 0 HG12 ILE A 60 4.396 12.619 21.571 1.00 61.05 H new ATOM 0 HG13 ILE A 60 5.799 13.231 22.426 1.00 61.05 H new ATOM 0 HG21 ILE A 60 4.879 13.996 18.839 1.00 42.32 H new ATOM 0 HG22 ILE A 60 5.978 12.789 18.130 1.00 42.32 H new ATOM 0 HG23 ILE A 60 4.518 12.261 18.999 1.00 42.32 H new ATOM 0 HD11 ILE A 60 4.021 14.903 22.349 1.00 12.33 H new ATOM 0 HD12 ILE A 60 5.443 15.464 21.438 1.00 12.33 H new ATOM 0 HD13 ILE A 60 4.019 14.843 20.571 1.00 12.33 H new ATOM 991 N GLN A 61 8.842 11.462 19.223 1.00 51.42 N ATOM 992 CA GLN A 61 9.755 11.051 18.145 1.00 34.42 C ATOM 993 C GLN A 61 10.017 9.537 18.219 1.00 52.22 C ATOM 994 O GLN A 61 10.036 8.863 17.195 1.00 52.22 O ATOM 995 CB GLN A 61 11.097 11.829 18.230 1.00 54.30 C ATOM 996 CG GLN A 61 12.116 11.442 17.143 1.00 14.24 C ATOM 997 CD GLN A 61 13.464 12.144 17.293 1.00 2.40 C ATOM 998 OE1 GLN A 61 14.353 11.660 17.994 1.00 42.23 O ATOM 999 NE2 GLN A 61 13.638 13.274 16.626 1.00 52.10 N ATOM 0 H GLN A 61 9.274 12.083 19.907 1.00 51.42 H new ATOM 0 HA GLN A 61 9.283 11.284 17.191 1.00 34.42 H new ATOM 0 HB2 GLN A 61 10.891 12.897 18.157 1.00 54.30 H new ATOM 0 HB3 GLN A 61 11.543 11.657 19.209 1.00 54.30 H new ATOM 0 HG2 GLN A 61 12.272 10.364 17.170 1.00 14.24 H new ATOM 0 HG3 GLN A 61 11.699 11.679 16.164 1.00 14.24 H new ATOM 0 HE21 GLN A 61 12.882 13.650 16.053 1.00 52.10 H new ATOM 0 HE22 GLN A 61 14.528 13.769 16.685 1.00 52.10 H new ATOM 1008 N ASP A 62 10.195 9.026 19.455 1.00 4.43 N ATOM 1009 CA ASP A 62 10.435 7.593 19.716 1.00 31.40 C ATOM 1010 C ASP A 62 9.200 6.750 19.327 1.00 71.21 C ATOM 1011 O ASP A 62 9.345 5.670 18.735 1.00 72.10 O ATOM 1012 CB ASP A 62 10.817 7.379 21.207 1.00 43.44 C ATOM 1013 CG ASP A 62 11.172 5.916 21.542 1.00 53.23 C ATOM 1014 OD1 ASP A 62 10.338 5.194 22.123 1.00 45.23 O ATOM 1015 OD2 ASP A 62 12.290 5.480 21.216 1.00 20.02 O ATOM 0 H ASP A 62 10.176 9.597 20.300 1.00 4.43 H new ATOM 0 HA ASP A 62 11.268 7.259 19.098 1.00 31.40 H new ATOM 0 HB2 ASP A 62 11.666 8.017 21.452 1.00 43.44 H new ATOM 0 HB3 ASP A 62 9.986 7.697 21.837 1.00 43.44 H new ATOM 1020 N MET A 63 7.986 7.281 19.627 1.00 54.51 N ATOM 1021 CA MET A 63 6.705 6.616 19.285 1.00 21.33 C ATOM 1022 C MET A 63 6.587 6.439 17.771 1.00 61.31 C ATOM 1023 O MET A 63 6.431 5.318 17.273 1.00 12.42 O ATOM 1024 CB MET A 63 5.468 7.411 19.799 1.00 14.42 C ATOM 1025 CG MET A 63 5.370 7.566 21.317 1.00 62.33 C ATOM 1026 SD MET A 63 3.769 8.219 21.852 1.00 61.44 S ATOM 1027 CE MET A 63 3.561 9.688 20.833 1.00 12.42 C ATOM 0 H MET A 63 7.870 8.173 20.108 1.00 54.51 H new ATOM 0 HA MET A 63 6.714 5.645 19.780 1.00 21.33 H new ATOM 0 HB2 MET A 63 5.484 8.404 19.350 1.00 14.42 H new ATOM 0 HB3 MET A 63 4.565 6.915 19.443 1.00 14.42 H new ATOM 0 HG2 MET A 63 5.538 6.598 21.788 1.00 62.33 H new ATOM 0 HG3 MET A 63 6.162 8.231 21.662 1.00 62.33 H new ATOM 0 HE1 MET A 63 2.535 10.047 20.917 1.00 12.42 H new ATOM 0 HE2 MET A 63 4.246 10.465 21.171 1.00 12.42 H new ATOM 0 HE3 MET A 63 3.776 9.443 19.793 1.00 12.42 H new ATOM 1037 N VAL A 64 6.693 7.567 17.049 1.00 14.13 N ATOM 1038 CA VAL A 64 6.499 7.597 15.591 1.00 30.34 C ATOM 1039 C VAL A 64 7.671 6.965 14.839 1.00 70.05 C ATOM 1040 O VAL A 64 7.485 6.507 13.727 1.00 42.20 O ATOM 1041 CB VAL A 64 6.201 9.037 15.061 1.00 62.32 C ATOM 1042 CG1 VAL A 64 4.941 9.617 15.752 1.00 12.14 C ATOM 1043 CG2 VAL A 64 7.426 9.960 15.220 1.00 70.34 C ATOM 0 H VAL A 64 6.914 8.476 17.456 1.00 14.13 H new ATOM 0 HA VAL A 64 5.617 6.989 15.391 1.00 30.34 H new ATOM 0 HB VAL A 64 5.994 8.975 13.993 1.00 62.32 H new ATOM 0 HG11 VAL A 64 4.747 10.620 15.372 1.00 12.14 H new ATOM 0 HG12 VAL A 64 4.084 8.977 15.542 1.00 12.14 H new ATOM 0 HG13 VAL A 64 5.105 9.662 16.829 1.00 12.14 H new ATOM 0 HG21 VAL A 64 7.185 10.953 14.842 1.00 70.34 H new ATOM 0 HG22 VAL A 64 7.696 10.029 16.274 1.00 70.34 H new ATOM 0 HG23 VAL A 64 8.265 9.551 14.657 1.00 70.34 H new ATOM 1053 N ALA A 65 8.865 6.920 15.462 1.00 50.14 N ATOM 1054 CA ALA A 65 10.014 6.169 14.915 1.00 62.34 C ATOM 1055 C ALA A 65 9.666 4.675 14.858 1.00 34.32 C ATOM 1056 O ALA A 65 9.929 4.005 13.858 1.00 40.52 O ATOM 1057 CB ALA A 65 11.280 6.390 15.753 1.00 64.24 C ATOM 0 H ALA A 65 9.060 7.394 16.344 1.00 50.14 H new ATOM 0 HA ALA A 65 10.219 6.536 13.909 1.00 62.34 H new ATOM 0 HB1 ALA A 65 12.105 5.823 15.322 1.00 64.24 H new ATOM 0 HB2 ALA A 65 11.532 7.450 15.758 1.00 64.24 H new ATOM 0 HB3 ALA A 65 11.103 6.054 16.775 1.00 64.24 H new ATOM 1063 N GLY A 66 9.033 4.189 15.949 1.00 11.42 N ATOM 1064 CA GLY A 66 8.481 2.837 15.996 1.00 13.50 C ATOM 1065 C GLY A 66 7.395 2.621 14.952 1.00 35.50 C ATOM 1066 O GLY A 66 7.405 1.608 14.264 1.00 33.13 O ATOM 0 H GLY A 66 8.897 4.724 16.807 1.00 11.42 H new ATOM 0 HA2 GLY A 66 9.282 2.114 15.839 1.00 13.50 H new ATOM 0 HA3 GLY A 66 8.071 2.648 16.988 1.00 13.50 H new ATOM 1070 N TYR A 67 6.494 3.618 14.799 1.00 43.32 N ATOM 1071 CA TYR A 67 5.363 3.546 13.848 1.00 32.43 C ATOM 1072 C TYR A 67 5.828 3.470 12.376 1.00 32.12 C ATOM 1073 O TYR A 67 5.285 2.676 11.589 1.00 74.41 O ATOM 1074 CB TYR A 67 4.396 4.748 14.042 1.00 52.34 C ATOM 1075 CG TYR A 67 3.580 4.716 15.354 1.00 64.12 C ATOM 1076 CD1 TYR A 67 3.428 5.855 16.152 1.00 43.13 C ATOM 1077 CD2 TYR A 67 2.948 3.541 15.786 1.00 1.33 C ATOM 1078 CE1 TYR A 67 2.686 5.823 17.314 1.00 4.21 C ATOM 1079 CE2 TYR A 67 2.208 3.510 16.944 1.00 5.21 C ATOM 1080 CZ TYR A 67 2.078 4.648 17.701 1.00 44.22 C ATOM 1081 OH TYR A 67 1.332 4.602 18.852 1.00 32.32 O ATOM 0 H TYR A 67 6.530 4.489 15.328 1.00 43.32 H new ATOM 0 HA TYR A 67 4.832 2.620 14.069 1.00 32.43 H new ATOM 0 HB2 TYR A 67 4.975 5.671 14.013 1.00 52.34 H new ATOM 0 HB3 TYR A 67 3.704 4.779 13.200 1.00 52.34 H new ATOM 0 HD1 TYR A 67 3.901 6.778 15.852 1.00 43.13 H new ATOM 0 HD2 TYR A 67 3.045 2.641 15.196 1.00 1.33 H new ATOM 0 HE1 TYR A 67 2.582 6.713 17.917 1.00 4.21 H new ATOM 0 HE2 TYR A 67 1.730 2.593 17.257 1.00 5.21 H new ATOM 0 HH TYR A 67 0.974 3.698 18.974 1.00 32.32 H new ATOM 1091 N ILE A 68 6.840 4.290 12.019 1.00 33.02 N ATOM 1092 CA ILE A 68 7.401 4.310 10.658 1.00 72.31 C ATOM 1093 C ILE A 68 8.153 2.991 10.396 1.00 42.21 C ATOM 1094 O ILE A 68 8.010 2.397 9.337 1.00 12.31 O ATOM 1095 CB ILE A 68 8.363 5.536 10.397 1.00 32.41 C ATOM 1096 CG1 ILE A 68 7.659 6.893 10.704 1.00 2.53 C ATOM 1097 CG2 ILE A 68 8.869 5.525 8.931 1.00 62.23 C ATOM 1098 CD1 ILE A 68 8.560 8.118 10.613 1.00 1.45 C ATOM 0 H ILE A 68 7.284 4.948 12.660 1.00 33.02 H new ATOM 0 HA ILE A 68 6.564 4.420 9.969 1.00 72.31 H new ATOM 0 HB ILE A 68 9.213 5.435 11.072 1.00 32.41 H new ATOM 0 HG12 ILE A 68 6.827 7.019 10.011 1.00 2.53 H new ATOM 0 HG13 ILE A 68 7.234 6.846 11.707 1.00 2.53 H new ATOM 0 HG21 ILE A 68 9.530 6.376 8.768 1.00 62.23 H new ATOM 0 HG22 ILE A 68 9.414 4.600 8.741 1.00 62.23 H new ATOM 0 HG23 ILE A 68 8.019 5.591 8.252 1.00 62.23 H new ATOM 0 HD11 ILE A 68 7.982 9.013 10.843 1.00 1.45 H new ATOM 0 HD12 ILE A 68 9.378 8.022 11.327 1.00 1.45 H new ATOM 0 HD13 ILE A 68 8.966 8.197 9.604 1.00 1.45 H new ATOM 1110 N LYS A 69 8.910 2.523 11.404 1.00 32.31 N ATOM 1111 CA LYS A 69 9.671 1.256 11.333 1.00 4.43 C ATOM 1112 C LYS A 69 8.726 0.058 11.056 1.00 30.34 C ATOM 1113 O LYS A 69 9.017 -0.785 10.190 1.00 22.21 O ATOM 1114 CB LYS A 69 10.491 1.088 12.648 1.00 23.03 C ATOM 1115 CG LYS A 69 11.329 -0.221 12.803 1.00 61.12 C ATOM 1116 CD LYS A 69 10.544 -1.407 13.426 1.00 72.05 C ATOM 1117 CE LYS A 69 9.977 -1.068 14.817 1.00 60.24 C ATOM 1118 NZ LYS A 69 9.207 -2.195 15.406 1.00 70.13 N ATOM 0 H LYS A 69 9.014 3.011 12.294 1.00 32.31 H new ATOM 0 HA LYS A 69 10.371 1.284 10.498 1.00 4.43 H new ATOM 0 HB2 LYS A 69 11.170 1.936 12.734 1.00 23.03 H new ATOM 0 HB3 LYS A 69 9.799 1.148 13.488 1.00 23.03 H new ATOM 0 HG2 LYS A 69 11.700 -0.520 11.823 1.00 61.12 H new ATOM 0 HG3 LYS A 69 12.200 -0.010 13.423 1.00 61.12 H new ATOM 0 HD2 LYS A 69 9.727 -1.687 12.762 1.00 72.05 H new ATOM 0 HD3 LYS A 69 11.201 -2.273 13.505 1.00 72.05 H new ATOM 0 HE2 LYS A 69 10.796 -0.803 15.485 1.00 60.24 H new ATOM 0 HE3 LYS A 69 9.332 -0.192 14.740 1.00 60.24 H new ATOM 0 HZ1 LYS A 69 8.846 -1.918 16.341 1.00 70.13 H new ATOM 0 HZ2 LYS A 69 8.408 -2.433 14.784 1.00 70.13 H new ATOM 0 HZ3 LYS A 69 9.827 -3.024 15.506 1.00 70.13 H new ATOM 1132 N GLN A 70 7.589 0.014 11.788 1.00 54.41 N ATOM 1133 CA GLN A 70 6.544 -1.009 11.593 1.00 20.15 C ATOM 1134 C GLN A 70 6.025 -0.962 10.157 1.00 71.24 C ATOM 1135 O GLN A 70 6.054 -1.967 9.445 1.00 22.23 O ATOM 1136 CB GLN A 70 5.351 -0.795 12.564 1.00 64.42 C ATOM 1137 CG GLN A 70 5.652 -1.019 14.053 1.00 13.41 C ATOM 1138 CD GLN A 70 4.437 -0.754 14.959 1.00 35.41 C ATOM 1139 OE1 GLN A 70 3.227 -1.072 14.488 1.00 34.33 O flip ATOM 1140 NE2 GLN A 70 4.586 -0.289 16.090 1.00 74.51 N flip ATOM 0 H GLN A 70 7.374 0.684 12.526 1.00 54.41 H new ATOM 0 HA GLN A 70 6.994 -1.980 11.799 1.00 20.15 H new ATOM 0 HB2 GLN A 70 4.982 0.223 12.437 1.00 64.42 H new ATOM 0 HB3 GLN A 70 4.544 -1.466 12.271 1.00 64.42 H new ATOM 0 HG2 GLN A 70 5.990 -2.045 14.199 1.00 13.41 H new ATOM 0 HG3 GLN A 70 6.472 -0.367 14.354 1.00 13.41 H new ATOM 0 HE21 GLN A 70 5.520 -0.054 16.426 1.00 74.51 H new ATOM 0 HE22 GLN A 70 3.775 -0.139 16.690 1.00 74.51 H new ATOM 1149 N THR A 71 5.614 0.248 9.735 1.00 20.33 N ATOM 1150 CA THR A 71 4.942 0.447 8.456 1.00 31.54 C ATOM 1151 C THR A 71 5.895 0.182 7.271 1.00 2.20 C ATOM 1152 O THR A 71 5.446 -0.230 6.224 1.00 51.11 O ATOM 1153 CB THR A 71 4.277 1.870 8.375 1.00 23.11 C ATOM 1154 OG1 THR A 71 3.160 1.836 7.489 1.00 42.25 O ATOM 1155 CG2 THR A 71 5.230 2.984 7.911 1.00 33.11 C ATOM 0 H THR A 71 5.741 1.105 10.274 1.00 20.33 H new ATOM 0 HA THR A 71 4.138 -0.285 8.385 1.00 31.54 H new ATOM 0 HB THR A 71 3.974 2.109 9.394 1.00 23.11 H new ATOM 0 HG1 THR A 71 3.142 2.657 6.954 1.00 42.25 H new ATOM 0 HG21 THR A 71 4.694 3.933 7.882 1.00 33.11 H new ATOM 0 HG22 THR A 71 6.066 3.061 8.606 1.00 33.11 H new ATOM 0 HG23 THR A 71 5.606 2.750 6.915 1.00 33.11 H new ATOM 1163 N LEU A 72 7.221 0.379 7.482 1.00 74.34 N ATOM 1164 CA LEU A 72 8.261 0.083 6.464 1.00 24.11 C ATOM 1165 C LEU A 72 8.405 -1.424 6.248 1.00 71.22 C ATOM 1166 O LEU A 72 8.494 -1.887 5.107 1.00 5.15 O ATOM 1167 CB LEU A 72 9.639 0.683 6.873 1.00 13.41 C ATOM 1168 CG LEU A 72 9.750 2.233 6.800 1.00 1.45 C ATOM 1169 CD1 LEU A 72 11.084 2.726 7.394 1.00 71.10 C ATOM 1170 CD2 LEU A 72 9.561 2.723 5.353 1.00 11.14 C ATOM 0 H LEU A 72 7.597 0.745 8.356 1.00 74.34 H new ATOM 0 HA LEU A 72 7.939 0.546 5.531 1.00 24.11 H new ATOM 0 HB2 LEU A 72 9.863 0.369 7.893 1.00 13.41 H new ATOM 0 HB3 LEU A 72 10.407 0.252 6.231 1.00 13.41 H new ATOM 0 HG LEU A 72 8.950 2.660 7.405 1.00 1.45 H new ATOM 0 HD11 LEU A 72 11.132 3.813 7.329 1.00 71.10 H new ATOM 0 HD12 LEU A 72 11.152 2.422 8.439 1.00 71.10 H new ATOM 0 HD13 LEU A 72 11.913 2.292 6.836 1.00 71.10 H new ATOM 0 HD21 LEU A 72 9.642 3.810 5.323 1.00 11.14 H new ATOM 0 HD22 LEU A 72 10.330 2.284 4.717 1.00 11.14 H new ATOM 0 HD23 LEU A 72 8.577 2.423 4.993 1.00 11.14 H new ATOM 1182 N ASP A 73 8.439 -2.167 7.371 1.00 22.20 N ATOM 1183 CA ASP A 73 8.536 -3.636 7.372 1.00 70.40 C ATOM 1184 C ASP A 73 7.323 -4.248 6.660 1.00 31.41 C ATOM 1185 O ASP A 73 7.474 -4.991 5.687 1.00 24.51 O ATOM 1186 CB ASP A 73 8.634 -4.176 8.825 1.00 74.34 C ATOM 1187 CG ASP A 73 8.555 -5.717 8.897 1.00 54.04 C ATOM 1188 OD1 ASP A 73 7.514 -6.261 9.328 1.00 63.35 O ATOM 1189 OD2 ASP A 73 9.535 -6.387 8.515 1.00 65.31 O ATOM 0 H ASP A 73 8.400 -1.761 8.306 1.00 22.20 H new ATOM 0 HA ASP A 73 9.441 -3.922 6.836 1.00 70.40 H new ATOM 0 HB2 ASP A 73 9.572 -3.844 9.269 1.00 74.34 H new ATOM 0 HB3 ASP A 73 7.829 -3.747 9.422 1.00 74.34 H new ATOM 1194 N ASN A 74 6.129 -3.869 7.141 1.00 0.00 N ATOM 1195 CA ASN A 74 4.849 -4.393 6.649 1.00 33.24 C ATOM 1196 C ASN A 74 4.635 -4.075 5.161 1.00 3.44 C ATOM 1197 O ASN A 74 4.202 -4.940 4.399 1.00 22.33 O ATOM 1198 CB ASN A 74 3.683 -3.815 7.486 1.00 32.51 C ATOM 1199 CG ASN A 74 3.749 -4.139 8.991 1.00 10.11 C ATOM 1200 OD1 ASN A 74 4.265 -5.308 9.368 1.00 32.52 O flip ATOM 1201 ND2 ASN A 74 3.325 -3.339 9.820 1.00 32.13 N flip ATOM 0 H ASN A 74 6.026 -3.184 7.889 1.00 0.00 H new ATOM 0 HA ASN A 74 4.873 -5.477 6.756 1.00 33.24 H new ATOM 0 HB2 ASN A 74 3.666 -2.732 7.362 1.00 32.51 H new ATOM 0 HB3 ASN A 74 2.743 -4.196 7.087 1.00 32.51 H new ATOM 0 HD21 ASN A 74 2.933 -2.448 9.515 1.00 32.13 H new ATOM 0 HD22 ASN A 74 3.365 -3.565 10.814 1.00 32.13 H new ATOM 1208 N GLU A 75 4.978 -2.840 4.765 1.00 42.11 N ATOM 1209 CA GLU A 75 4.782 -2.334 3.391 1.00 13.34 C ATOM 1210 C GLU A 75 5.827 -2.905 2.414 1.00 45.51 C ATOM 1211 O GLU A 75 5.569 -3.011 1.212 1.00 71.31 O ATOM 1212 CB GLU A 75 4.788 -0.794 3.439 1.00 43.11 C ATOM 1213 CG GLU A 75 4.502 -0.048 2.133 1.00 43.33 C ATOM 1214 CD GLU A 75 4.239 1.450 2.370 1.00 74.24 C ATOM 1215 OE1 GLU A 75 3.081 1.899 2.200 1.00 5.23 O ATOM 1216 OE2 GLU A 75 5.165 2.174 2.772 1.00 21.51 O ATOM 0 H GLU A 75 5.403 -2.156 5.391 1.00 42.11 H new ATOM 0 HA GLU A 75 3.820 -2.672 3.005 1.00 13.34 H new ATOM 0 HB2 GLU A 75 4.051 -0.477 4.177 1.00 43.11 H new ATOM 0 HB3 GLU A 75 5.763 -0.472 3.804 1.00 43.11 H new ATOM 0 HG2 GLU A 75 5.348 -0.165 1.456 1.00 43.33 H new ATOM 0 HG3 GLU A 75 3.637 -0.495 1.642 1.00 43.33 H new ATOM 1223 N GLN A 76 6.996 -3.308 2.948 1.00 3.42 N ATOM 1224 CA GLN A 76 8.017 -4.045 2.173 1.00 0.01 C ATOM 1225 C GLN A 76 7.549 -5.493 1.923 1.00 43.51 C ATOM 1226 O GLN A 76 7.781 -6.065 0.849 1.00 32.43 O ATOM 1227 CB GLN A 76 9.372 -4.031 2.919 1.00 53.32 C ATOM 1228 CG GLN A 76 10.509 -4.809 2.222 1.00 0.20 C ATOM 1229 CD GLN A 76 11.857 -4.761 2.948 1.00 40.31 C ATOM 1230 OE1 GLN A 76 12.914 -4.808 2.318 1.00 25.13 O ATOM 1231 NE2 GLN A 76 11.842 -4.683 4.273 1.00 34.31 N ATOM 0 H GLN A 76 7.259 -3.135 3.918 1.00 3.42 H new ATOM 0 HA GLN A 76 8.152 -3.553 1.210 1.00 0.01 H new ATOM 0 HB2 GLN A 76 9.687 -2.996 3.049 1.00 53.32 H new ATOM 0 HB3 GLN A 76 9.225 -4.447 3.916 1.00 53.32 H new ATOM 0 HG2 GLN A 76 10.206 -5.851 2.116 1.00 0.20 H new ATOM 0 HG3 GLN A 76 10.639 -4.411 1.216 1.00 0.20 H new ATOM 0 HE21 GLN A 76 10.953 -4.645 4.772 1.00 34.31 H new ATOM 0 HE22 GLN A 76 12.719 -4.661 4.793 1.00 34.31 H new ATOM 1240 N LEU A 77 6.864 -6.066 2.930 1.00 72.11 N ATOM 1241 CA LEU A 77 6.252 -7.398 2.824 1.00 71.23 C ATOM 1242 C LEU A 77 5.050 -7.356 1.854 1.00 33.42 C ATOM 1243 O LEU A 77 4.794 -8.330 1.150 1.00 22.20 O ATOM 1244 CB LEU A 77 5.840 -7.920 4.227 1.00 30.43 C ATOM 1245 CG LEU A 77 7.006 -8.124 5.249 1.00 10.41 C ATOM 1246 CD1 LEU A 77 6.483 -8.579 6.627 1.00 32.23 C ATOM 1247 CD2 LEU A 77 8.062 -9.103 4.707 1.00 15.12 C ATOM 0 H LEU A 77 6.721 -5.618 3.835 1.00 72.11 H new ATOM 0 HA LEU A 77 6.984 -8.096 2.418 1.00 71.23 H new ATOM 0 HB2 LEU A 77 5.123 -7.221 4.658 1.00 30.43 H new ATOM 0 HB3 LEU A 77 5.322 -8.871 4.102 1.00 30.43 H new ATOM 0 HG LEU A 77 7.488 -7.156 5.385 1.00 10.41 H new ATOM 0 HD11 LEU A 77 7.323 -8.710 7.310 1.00 32.23 H new ATOM 0 HD12 LEU A 77 5.805 -7.824 7.026 1.00 32.23 H new ATOM 0 HD13 LEU A 77 5.951 -9.524 6.520 1.00 32.23 H new ATOM 0 HD21 LEU A 77 8.858 -9.223 5.442 1.00 15.12 H new ATOM 0 HD22 LEU A 77 7.597 -10.070 4.515 1.00 15.12 H new ATOM 0 HD23 LEU A 77 8.480 -8.711 3.780 1.00 15.12 H new ATOM 1259 N LEU A 78 4.344 -6.200 1.813 1.00 73.14 N ATOM 1260 CA LEU A 78 3.280 -5.936 0.815 1.00 53.34 C ATOM 1261 C LEU A 78 3.876 -5.886 -0.589 1.00 40.44 C ATOM 1262 O LEU A 78 3.320 -6.450 -1.515 1.00 33.34 O ATOM 1263 CB LEU A 78 2.566 -4.582 1.071 1.00 51.32 C ATOM 1264 CG LEU A 78 1.749 -4.451 2.378 1.00 43.55 C ATOM 1265 CD1 LEU A 78 1.242 -3.002 2.540 1.00 34.54 C ATOM 1266 CD2 LEU A 78 0.596 -5.476 2.420 1.00 5.05 C ATOM 0 H LEU A 78 4.495 -5.430 2.465 1.00 73.14 H new ATOM 0 HA LEU A 78 2.557 -6.747 0.906 1.00 53.34 H new ATOM 0 HB2 LEU A 78 3.320 -3.795 1.064 1.00 51.32 H new ATOM 0 HB3 LEU A 78 1.896 -4.389 0.233 1.00 51.32 H new ATOM 0 HG LEU A 78 2.399 -4.676 3.224 1.00 43.55 H new ATOM 0 HD11 LEU A 78 0.668 -2.918 3.463 1.00 34.54 H new ATOM 0 HD12 LEU A 78 2.092 -2.321 2.579 1.00 34.54 H new ATOM 0 HD13 LEU A 78 0.607 -2.742 1.693 1.00 34.54 H new ATOM 0 HD21 LEU A 78 0.040 -5.360 3.350 1.00 5.05 H new ATOM 0 HD22 LEU A 78 -0.071 -5.308 1.575 1.00 5.05 H new ATOM 0 HD23 LEU A 78 1.004 -6.485 2.365 1.00 5.05 H new ATOM 1278 N LYS A 79 5.019 -5.188 -0.706 1.00 74.31 N ATOM 1279 CA LYS A 79 5.725 -4.992 -1.976 1.00 14.01 C ATOM 1280 C LYS A 79 6.016 -6.352 -2.648 1.00 15.13 C ATOM 1281 O LYS A 79 5.541 -6.597 -3.754 1.00 0.41 O ATOM 1282 CB LYS A 79 7.027 -4.180 -1.729 1.00 52.20 C ATOM 1283 CG LYS A 79 7.912 -3.977 -2.971 1.00 53.24 C ATOM 1284 CD LYS A 79 9.148 -3.094 -2.685 1.00 32.53 C ATOM 1285 CE LYS A 79 10.185 -3.148 -3.820 1.00 23.14 C ATOM 1286 NZ LYS A 79 9.596 -2.824 -5.147 1.00 65.55 N ATOM 0 H LYS A 79 5.479 -4.742 0.087 1.00 74.31 H new ATOM 0 HA LYS A 79 5.095 -4.423 -2.659 1.00 14.01 H new ATOM 0 HB2 LYS A 79 6.757 -3.202 -1.330 1.00 52.20 H new ATOM 0 HB3 LYS A 79 7.613 -4.687 -0.962 1.00 52.20 H new ATOM 0 HG2 LYS A 79 8.242 -4.948 -3.340 1.00 53.24 H new ATOM 0 HG3 LYS A 79 7.319 -3.520 -3.763 1.00 53.24 H new ATOM 0 HD2 LYS A 79 8.828 -2.062 -2.538 1.00 32.53 H new ATOM 0 HD3 LYS A 79 9.615 -3.418 -1.755 1.00 32.53 H new ATOM 0 HE2 LYS A 79 10.992 -2.448 -3.604 1.00 23.14 H new ATOM 0 HE3 LYS A 79 10.628 -4.143 -3.856 1.00 23.14 H new ATOM 0 HZ1 LYS A 79 10.356 -2.724 -5.849 1.00 65.55 H new ATOM 0 HZ2 LYS A 79 8.954 -3.589 -5.438 1.00 65.55 H new ATOM 0 HZ3 LYS A 79 9.065 -1.932 -5.083 1.00 65.55 H new ATOM 1300 N GLY A 80 6.721 -7.248 -1.924 1.00 72.14 N ATOM 1301 CA GLY A 80 7.047 -8.592 -2.437 1.00 60.51 C ATOM 1302 C GLY A 80 5.817 -9.470 -2.714 1.00 14.22 C ATOM 1303 O GLY A 80 5.716 -10.082 -3.789 1.00 10.23 O ATOM 0 H GLY A 80 7.074 -7.063 -0.985 1.00 72.14 H new ATOM 0 HA2 GLY A 80 7.622 -8.489 -3.357 1.00 60.51 H new ATOM 0 HA3 GLY A 80 7.688 -9.099 -1.716 1.00 60.51 H new ATOM 1307 N LEU A 81 4.876 -9.501 -1.752 1.00 10.03 N ATOM 1308 CA LEU A 81 3.663 -10.351 -1.808 1.00 52.32 C ATOM 1309 C LEU A 81 2.787 -9.964 -3.014 1.00 65.33 C ATOM 1310 O LEU A 81 2.424 -10.818 -3.835 1.00 2.31 O ATOM 1311 CB LEU A 81 2.895 -10.214 -0.458 1.00 52.23 C ATOM 1312 CG LEU A 81 1.746 -11.237 -0.121 1.00 64.32 C ATOM 1313 CD1 LEU A 81 1.434 -11.206 1.391 1.00 70.41 C ATOM 1314 CD2 LEU A 81 0.447 -10.973 -0.922 1.00 20.21 C ATOM 0 H LEU A 81 4.933 -8.934 -0.906 1.00 10.03 H new ATOM 0 HA LEU A 81 3.941 -11.396 -1.946 1.00 52.32 H new ATOM 0 HB2 LEU A 81 3.630 -10.270 0.345 1.00 52.23 H new ATOM 0 HB3 LEU A 81 2.463 -9.214 -0.426 1.00 52.23 H new ATOM 0 HG LEU A 81 2.111 -12.222 -0.412 1.00 64.32 H new ATOM 0 HD11 LEU A 81 0.638 -11.917 1.613 1.00 70.41 H new ATOM 0 HD12 LEU A 81 2.328 -11.475 1.953 1.00 70.41 H new ATOM 0 HD13 LEU A 81 1.115 -10.204 1.676 1.00 70.41 H new ATOM 0 HD21 LEU A 81 -0.307 -11.710 -0.646 1.00 20.21 H new ATOM 0 HD22 LEU A 81 0.077 -9.973 -0.696 1.00 20.21 H new ATOM 0 HD23 LEU A 81 0.656 -11.050 -1.989 1.00 20.21 H new ATOM 1326 N LEU A 82 2.471 -8.666 -3.112 1.00 35.11 N ATOM 1327 CA LEU A 82 1.605 -8.130 -4.165 1.00 52.34 C ATOM 1328 C LEU A 82 2.303 -8.171 -5.539 1.00 64.23 C ATOM 1329 O LEU A 82 1.621 -8.213 -6.544 1.00 64.44 O ATOM 1330 CB LEU A 82 1.120 -6.691 -3.821 1.00 54.15 C ATOM 1331 CG LEU A 82 0.322 -6.522 -2.482 1.00 61.42 C ATOM 1332 CD1 LEU A 82 -0.110 -5.053 -2.272 1.00 40.40 C ATOM 1333 CD2 LEU A 82 -0.884 -7.477 -2.417 1.00 54.01 C ATOM 0 H LEU A 82 2.811 -7.958 -2.461 1.00 35.11 H new ATOM 0 HA LEU A 82 0.724 -8.769 -4.223 1.00 52.34 H new ATOM 0 HB2 LEU A 82 1.991 -6.037 -3.783 1.00 54.15 H new ATOM 0 HB3 LEU A 82 0.492 -6.338 -4.639 1.00 54.15 H new ATOM 0 HG LEU A 82 0.991 -6.791 -1.665 1.00 61.42 H new ATOM 0 HD11 LEU A 82 -0.661 -4.966 -1.336 1.00 40.40 H new ATOM 0 HD12 LEU A 82 0.774 -4.416 -2.233 1.00 40.40 H new ATOM 0 HD13 LEU A 82 -0.747 -4.739 -3.099 1.00 40.40 H new ATOM 0 HD21 LEU A 82 -1.413 -7.331 -1.475 1.00 54.01 H new ATOM 0 HD22 LEU A 82 -1.558 -7.269 -3.248 1.00 54.01 H new ATOM 0 HD23 LEU A 82 -0.536 -8.508 -2.482 1.00 54.01 H new ATOM 1345 N GLN A 83 3.668 -8.156 -5.576 1.00 61.12 N ATOM 1346 CA GLN A 83 4.434 -8.353 -6.844 1.00 43.44 C ATOM 1347 C GLN A 83 4.160 -9.749 -7.419 1.00 12.54 C ATOM 1348 O GLN A 83 3.967 -9.899 -8.633 1.00 43.30 O ATOM 1349 CB GLN A 83 5.970 -8.123 -6.659 1.00 42.44 C ATOM 1350 CG GLN A 83 6.411 -6.643 -6.718 1.00 2.32 C ATOM 1351 CD GLN A 83 7.911 -6.406 -6.498 1.00 64.34 C ATOM 1352 OE1 GLN A 83 8.318 -5.366 -5.966 1.00 1.23 O ATOM 1353 NE2 GLN A 83 8.749 -7.345 -6.919 1.00 41.34 N ATOM 0 H GLN A 83 4.254 -8.011 -4.754 1.00 61.12 H new ATOM 0 HA GLN A 83 4.087 -7.600 -7.551 1.00 43.44 H new ATOM 0 HB2 GLN A 83 6.274 -8.541 -5.699 1.00 42.44 H new ATOM 0 HB3 GLN A 83 6.503 -8.678 -7.431 1.00 42.44 H new ATOM 0 HG2 GLN A 83 6.132 -6.235 -7.689 1.00 2.32 H new ATOM 0 HG3 GLN A 83 5.855 -6.083 -5.966 1.00 2.32 H new ATOM 0 HE21 GLN A 83 8.387 -8.193 -7.354 1.00 41.34 H new ATOM 0 HE22 GLN A 83 9.755 -7.218 -6.807 1.00 41.34 H new ATOM 1362 N GLN A 84 4.124 -10.755 -6.521 1.00 12.21 N ATOM 1363 CA GLN A 84 3.750 -12.139 -6.883 1.00 75.03 C ATOM 1364 C GLN A 84 2.326 -12.164 -7.467 1.00 32.12 C ATOM 1365 O GLN A 84 2.109 -12.678 -8.563 1.00 3.31 O ATOM 1366 CB GLN A 84 3.825 -13.070 -5.649 1.00 40.34 C ATOM 1367 CG GLN A 84 5.200 -13.115 -4.955 1.00 55.23 C ATOM 1368 CD GLN A 84 5.215 -13.931 -3.654 1.00 72.44 C ATOM 1369 OE1 GLN A 84 4.413 -14.986 -3.583 1.00 33.23 O flip ATOM 1370 NE2 GLN A 84 5.960 -13.625 -2.721 1.00 23.34 N flip ATOM 0 H GLN A 84 4.351 -10.634 -5.534 1.00 12.21 H new ATOM 0 HA GLN A 84 4.455 -12.499 -7.632 1.00 75.03 H new ATOM 0 HB2 GLN A 84 3.078 -12.749 -4.923 1.00 40.34 H new ATOM 0 HB3 GLN A 84 3.556 -14.080 -5.957 1.00 40.34 H new ATOM 0 HG2 GLN A 84 5.931 -13.537 -5.645 1.00 55.23 H new ATOM 0 HG3 GLN A 84 5.519 -12.096 -4.737 1.00 55.23 H new ATOM 0 HE21 GLN A 84 6.567 -12.809 -2.800 1.00 23.34 H new ATOM 0 HE22 GLN A 84 5.969 -14.188 -1.870 1.00 23.34 H new ATOM 1379 N ARG A 85 1.384 -11.535 -6.731 1.00 33.03 N ATOM 1380 CA ARG A 85 -0.051 -11.516 -7.082 1.00 2.23 C ATOM 1381 C ARG A 85 -0.299 -10.852 -8.446 1.00 75.25 C ATOM 1382 O ARG A 85 -0.943 -11.441 -9.311 1.00 42.42 O ATOM 1383 CB ARG A 85 -0.868 -10.789 -5.983 1.00 4.34 C ATOM 1384 CG ARG A 85 -0.709 -11.352 -4.555 1.00 71.45 C ATOM 1385 CD ARG A 85 -1.149 -12.826 -4.391 1.00 1.52 C ATOM 1386 NE ARG A 85 -0.173 -13.800 -4.915 1.00 44.41 N ATOM 1387 CZ ARG A 85 0.643 -14.566 -4.173 1.00 10.15 C ATOM 1388 NH1 ARG A 85 0.645 -14.486 -2.840 1.00 5.13 N ATOM 1389 NH2 ARG A 85 1.444 -15.441 -4.780 1.00 71.23 N ATOM 0 H ARG A 85 1.599 -11.025 -5.874 1.00 33.03 H new ATOM 0 HA ARG A 85 -0.381 -12.552 -7.151 1.00 2.23 H new ATOM 0 HB2 ARG A 85 -0.578 -9.738 -5.975 1.00 4.34 H new ATOM 0 HB3 ARG A 85 -1.923 -10.827 -6.254 1.00 4.34 H new ATOM 0 HG2 ARG A 85 0.336 -11.263 -4.258 1.00 71.45 H new ATOM 0 HG3 ARG A 85 -1.289 -10.735 -3.869 1.00 71.45 H new ATOM 0 HD2 ARG A 85 -1.319 -13.029 -3.334 1.00 1.52 H new ATOM 0 HD3 ARG A 85 -2.102 -12.970 -4.901 1.00 1.52 H new ATOM 0 HE ARG A 85 -0.113 -13.900 -5.928 1.00 44.41 H new ATOM 0 HH11 ARG A 85 0.019 -13.834 -2.367 1.00 5.13 H new ATOM 0 HH12 ARG A 85 1.273 -15.077 -2.295 1.00 5.13 H new ATOM 0 HH21 ARG A 85 1.433 -15.523 -5.797 1.00 71.23 H new ATOM 0 HH22 ARG A 85 2.069 -16.029 -4.228 1.00 71.23 H new ATOM 1403 N LEU A 86 0.252 -9.636 -8.623 1.00 0.54 N ATOM 1404 CA LEU A 86 0.091 -8.827 -9.851 1.00 21.41 C ATOM 1405 C LEU A 86 0.701 -9.515 -11.073 1.00 30.31 C ATOM 1406 O LEU A 86 0.179 -9.378 -12.179 1.00 22.11 O ATOM 1407 CB LEU A 86 0.737 -7.424 -9.678 1.00 32.34 C ATOM 1408 CG LEU A 86 0.047 -6.474 -8.658 1.00 42.14 C ATOM 1409 CD1 LEU A 86 0.794 -5.128 -8.558 1.00 50.12 C ATOM 1410 CD2 LEU A 86 -1.434 -6.270 -9.019 1.00 54.23 C ATOM 0 H LEU A 86 0.827 -9.182 -7.913 1.00 0.54 H new ATOM 0 HA LEU A 86 -0.981 -8.718 -10.016 1.00 21.41 H new ATOM 0 HB2 LEU A 86 1.775 -7.559 -9.373 1.00 32.34 H new ATOM 0 HB3 LEU A 86 0.752 -6.931 -10.650 1.00 32.34 H new ATOM 0 HG LEU A 86 0.089 -6.943 -7.675 1.00 42.14 H new ATOM 0 HD11 LEU A 86 0.289 -4.484 -7.838 1.00 50.12 H new ATOM 0 HD12 LEU A 86 1.819 -5.304 -8.231 1.00 50.12 H new ATOM 0 HD13 LEU A 86 0.803 -4.643 -9.534 1.00 50.12 H new ATOM 0 HD21 LEU A 86 -1.897 -5.602 -8.292 1.00 54.23 H new ATOM 0 HD22 LEU A 86 -1.509 -5.832 -10.014 1.00 54.23 H new ATOM 0 HD23 LEU A 86 -1.947 -7.232 -9.007 1.00 54.23 H new ATOM 1422 N ASP A 87 1.809 -10.243 -10.855 1.00 74.14 N ATOM 1423 CA ASP A 87 2.500 -10.984 -11.923 1.00 4.01 C ATOM 1424 C ASP A 87 1.614 -12.127 -12.445 1.00 23.22 C ATOM 1425 O ASP A 87 1.463 -12.304 -13.661 1.00 50.11 O ATOM 1426 CB ASP A 87 3.854 -11.536 -11.419 1.00 33.54 C ATOM 1427 CG ASP A 87 4.647 -12.250 -12.525 1.00 4.32 C ATOM 1428 OD1 ASP A 87 5.159 -11.563 -13.434 1.00 62.11 O ATOM 1429 OD2 ASP A 87 4.762 -13.493 -12.498 1.00 60.51 O ATOM 0 H ASP A 87 2.249 -10.334 -9.939 1.00 74.14 H new ATOM 0 HA ASP A 87 2.696 -10.295 -12.745 1.00 4.01 H new ATOM 0 HB2 ASP A 87 4.451 -10.716 -11.020 1.00 33.54 H new ATOM 0 HB3 ASP A 87 3.677 -12.230 -10.598 1.00 33.54 H new ATOM 1434 N GLU A 88 0.999 -12.862 -11.503 1.00 60.25 N ATOM 1435 CA GLU A 88 0.075 -13.964 -11.814 1.00 13.22 C ATOM 1436 C GLU A 88 -1.159 -13.433 -12.562 1.00 14.42 C ATOM 1437 O GLU A 88 -1.476 -13.915 -13.652 1.00 51.21 O ATOM 1438 CB GLU A 88 -0.334 -14.699 -10.513 1.00 43.25 C ATOM 1439 CG GLU A 88 0.856 -15.333 -9.768 1.00 34.25 C ATOM 1440 CD GLU A 88 0.457 -15.977 -8.441 1.00 12.14 C ATOM 1441 OE1 GLU A 88 0.375 -17.221 -8.361 1.00 13.34 O ATOM 1442 OE2 GLU A 88 0.206 -15.236 -7.471 1.00 23.13 O ATOM 0 H GLU A 88 1.129 -12.708 -10.503 1.00 60.25 H new ATOM 0 HA GLU A 88 0.580 -14.678 -12.464 1.00 13.22 H new ATOM 0 HB2 GLU A 88 -0.835 -13.995 -9.849 1.00 43.25 H new ATOM 0 HB3 GLU A 88 -1.057 -15.477 -10.756 1.00 43.25 H new ATOM 0 HG2 GLU A 88 1.317 -16.086 -10.407 1.00 34.25 H new ATOM 0 HG3 GLU A 88 1.610 -14.568 -9.582 1.00 34.25 H new ATOM 1449 N LEU A 89 -1.793 -12.381 -11.988 1.00 21.20 N ATOM 1450 CA LEU A 89 -2.999 -11.737 -12.558 1.00 43.22 C ATOM 1451 C LEU A 89 -2.738 -11.189 -13.975 1.00 73.11 C ATOM 1452 O LEU A 89 -3.562 -11.376 -14.866 1.00 14.45 O ATOM 1453 CB LEU A 89 -3.513 -10.599 -11.627 1.00 23.41 C ATOM 1454 CG LEU A 89 -3.990 -11.047 -10.208 1.00 22.34 C ATOM 1455 CD1 LEU A 89 -4.398 -9.831 -9.351 1.00 11.44 C ATOM 1456 CD2 LEU A 89 -5.139 -12.080 -10.301 1.00 5.44 C ATOM 0 H LEU A 89 -1.481 -11.956 -11.115 1.00 21.20 H new ATOM 0 HA LEU A 89 -3.769 -12.505 -12.633 1.00 43.22 H new ATOM 0 HB2 LEU A 89 -2.716 -9.865 -11.507 1.00 23.41 H new ATOM 0 HB3 LEU A 89 -4.340 -10.093 -12.125 1.00 23.41 H new ATOM 0 HG LEU A 89 -3.150 -11.535 -9.714 1.00 22.34 H new ATOM 0 HD11 LEU A 89 -4.726 -10.172 -8.369 1.00 11.44 H new ATOM 0 HD12 LEU A 89 -3.544 -9.163 -9.237 1.00 11.44 H new ATOM 0 HD13 LEU A 89 -5.213 -9.298 -9.841 1.00 11.44 H new ATOM 0 HD21 LEU A 89 -5.448 -12.372 -9.297 1.00 5.44 H new ATOM 0 HD22 LEU A 89 -5.985 -11.637 -10.827 1.00 5.44 H new ATOM 0 HD23 LEU A 89 -4.794 -12.960 -10.844 1.00 5.44 H new ATOM 1468 N SER A 90 -1.560 -10.564 -14.164 1.00 14.22 N ATOM 1469 CA SER A 90 -1.131 -9.978 -15.455 1.00 2.42 C ATOM 1470 C SER A 90 -0.942 -11.058 -16.529 1.00 52.21 C ATOM 1471 O SER A 90 -1.279 -10.846 -17.701 1.00 71.12 O ATOM 1472 CB SER A 90 0.186 -9.190 -15.267 1.00 63.01 C ATOM 1473 OG SER A 90 0.606 -8.560 -16.464 1.00 40.42 O ATOM 0 H SER A 90 -0.871 -10.449 -13.420 1.00 14.22 H new ATOM 0 HA SER A 90 -1.917 -9.302 -15.791 1.00 2.42 H new ATOM 0 HB2 SER A 90 0.050 -8.437 -14.490 1.00 63.01 H new ATOM 0 HB3 SER A 90 0.967 -9.867 -14.921 1.00 63.01 H new ATOM 0 HG SER A 90 1.440 -8.072 -16.302 1.00 40.42 H new ATOM 1479 N SER A 91 -0.416 -12.218 -16.106 1.00 72.04 N ATOM 1480 CA SER A 91 -0.207 -13.376 -16.990 1.00 14.31 C ATOM 1481 C SER A 91 -1.560 -14.003 -17.390 1.00 10.12 C ATOM 1482 O SER A 91 -1.700 -14.563 -18.484 1.00 22.14 O ATOM 1483 CB SER A 91 0.701 -14.408 -16.288 1.00 32.31 C ATOM 1484 OG SER A 91 0.999 -15.516 -17.126 1.00 40.40 O ATOM 0 H SER A 91 -0.124 -12.380 -15.142 1.00 72.04 H new ATOM 0 HA SER A 91 0.287 -13.046 -17.904 1.00 14.31 H new ATOM 0 HB2 SER A 91 1.629 -13.925 -15.983 1.00 32.31 H new ATOM 0 HB3 SER A 91 0.212 -14.762 -15.380 1.00 32.31 H new ATOM 0 HG SER A 91 1.577 -16.144 -16.644 1.00 40.40 H new ATOM 1490 N LEU A 92 -2.555 -13.893 -16.485 1.00 5.43 N ATOM 1491 CA LEU A 92 -3.935 -14.348 -16.740 1.00 12.44 C ATOM 1492 C LEU A 92 -4.647 -13.397 -17.724 1.00 60.41 C ATOM 1493 O LEU A 92 -5.326 -13.853 -18.643 1.00 44.20 O ATOM 1494 CB LEU A 92 -4.718 -14.462 -15.400 1.00 33.24 C ATOM 1495 CG LEU A 92 -4.142 -15.486 -14.363 1.00 32.13 C ATOM 1496 CD1 LEU A 92 -4.913 -15.433 -13.025 1.00 64.44 C ATOM 1497 CD2 LEU A 92 -4.120 -16.912 -14.947 1.00 33.43 C ATOM 0 H LEU A 92 -2.423 -13.487 -15.559 1.00 5.43 H new ATOM 0 HA LEU A 92 -3.901 -15.336 -17.199 1.00 12.44 H new ATOM 0 HB2 LEU A 92 -4.748 -13.478 -14.933 1.00 33.24 H new ATOM 0 HB3 LEU A 92 -5.748 -14.740 -15.624 1.00 33.24 H new ATOM 0 HG LEU A 92 -3.112 -15.199 -14.152 1.00 32.13 H new ATOM 0 HD11 LEU A 92 -4.486 -16.156 -12.330 1.00 64.44 H new ATOM 0 HD12 LEU A 92 -4.836 -14.432 -12.600 1.00 64.44 H new ATOM 0 HD13 LEU A 92 -5.962 -15.673 -13.200 1.00 64.44 H new ATOM 0 HD21 LEU A 92 -3.716 -17.602 -14.207 1.00 33.43 H new ATOM 0 HD22 LEU A 92 -5.134 -17.214 -15.209 1.00 33.43 H new ATOM 0 HD23 LEU A 92 -3.494 -16.930 -15.839 1.00 33.43 H new ATOM 1509 N ILE A 93 -4.436 -12.075 -17.532 1.00 2.42 N ATOM 1510 CA ILE A 93 -4.969 -11.008 -18.414 1.00 33.40 C ATOM 1511 C ILE A 93 -4.375 -11.132 -19.834 1.00 15.41 C ATOM 1512 O ILE A 93 -5.078 -10.945 -20.829 1.00 73.23 O ATOM 1513 CB ILE A 93 -4.665 -9.576 -17.812 1.00 34.03 C ATOM 1514 CG1 ILE A 93 -5.396 -9.386 -16.447 1.00 73.23 C ATOM 1515 CG2 ILE A 93 -5.044 -8.436 -18.790 1.00 20.03 C ATOM 1516 CD1 ILE A 93 -5.044 -8.109 -15.705 1.00 75.42 C ATOM 0 H ILE A 93 -3.886 -11.714 -16.753 1.00 2.42 H new ATOM 0 HA ILE A 93 -6.050 -11.129 -18.478 1.00 33.40 H new ATOM 0 HB ILE A 93 -3.589 -9.520 -17.650 1.00 34.03 H new ATOM 0 HG12 ILE A 93 -6.472 -9.402 -16.622 1.00 73.23 H new ATOM 0 HG13 ILE A 93 -5.165 -10.237 -15.806 1.00 73.23 H new ATOM 0 HG21 ILE A 93 -4.817 -7.473 -18.332 1.00 20.03 H new ATOM 0 HG22 ILE A 93 -4.473 -8.543 -19.712 1.00 20.03 H new ATOM 0 HG23 ILE A 93 -6.109 -8.489 -19.015 1.00 20.03 H new ATOM 0 HD11 ILE A 93 -5.601 -8.067 -14.769 1.00 75.42 H new ATOM 0 HD12 ILE A 93 -3.975 -8.095 -15.492 1.00 75.42 H new ATOM 0 HD13 ILE A 93 -5.303 -7.247 -16.321 1.00 75.42 H new ATOM 1528 N GLY A 94 -3.087 -11.521 -19.896 1.00 44.00 N ATOM 1529 CA GLY A 94 -2.380 -11.727 -21.166 1.00 52.51 C ATOM 1530 C GLY A 94 -2.963 -12.856 -22.028 1.00 20.44 C ATOM 1531 O GLY A 94 -2.636 -12.966 -23.213 1.00 60.30 O ATOM 0 H GLY A 94 -2.514 -11.699 -19.071 1.00 44.00 H new ATOM 0 HA2 GLY A 94 -2.402 -10.799 -21.737 1.00 52.51 H new ATOM 0 HA3 GLY A 94 -1.333 -11.947 -20.956 1.00 52.51 H new ATOM 1535 N GLN A 95 -3.827 -13.692 -21.423 1.00 11.14 N ATOM 1536 CA GLN A 95 -4.505 -14.811 -22.103 1.00 31.20 C ATOM 1537 C GLN A 95 -5.991 -14.481 -22.348 1.00 31.14 C ATOM 1538 O GLN A 95 -6.481 -14.572 -23.484 1.00 21.23 O ATOM 1539 CB GLN A 95 -4.370 -16.097 -21.241 1.00 23.23 C ATOM 1540 CG GLN A 95 -2.917 -16.516 -20.937 1.00 40.13 C ATOM 1541 CD GLN A 95 -2.075 -16.781 -22.186 1.00 4.01 C ATOM 1542 OE1 GLN A 95 -1.389 -15.894 -22.698 1.00 22.13 O ATOM 1543 NE2 GLN A 95 -2.149 -17.994 -22.709 1.00 64.02 N ATOM 0 H GLN A 95 -4.077 -13.608 -20.438 1.00 11.14 H new ATOM 0 HA GLN A 95 -4.033 -14.975 -23.072 1.00 31.20 H new ATOM 0 HB2 GLN A 95 -4.895 -15.943 -20.298 1.00 23.23 H new ATOM 0 HB3 GLN A 95 -4.871 -16.917 -21.755 1.00 23.23 H new ATOM 0 HG2 GLN A 95 -2.439 -15.733 -20.348 1.00 40.13 H new ATOM 0 HG3 GLN A 95 -2.930 -17.416 -20.322 1.00 40.13 H new ATOM 0 HE21 GLN A 95 -2.725 -18.708 -22.263 1.00 64.02 H new ATOM 0 HE22 GLN A 95 -1.630 -18.216 -23.559 1.00 64.02 H new ATOM 1552 N VAL A 96 -6.695 -14.077 -21.268 1.00 61.14 N ATOM 1553 CA VAL A 96 -8.163 -13.910 -21.283 1.00 43.22 C ATOM 1554 C VAL A 96 -8.586 -12.633 -22.037 1.00 73.11 C ATOM 1555 O VAL A 96 -9.610 -12.633 -22.729 1.00 71.15 O ATOM 1556 CB VAL A 96 -8.779 -13.920 -19.823 1.00 12.00 C ATOM 1557 CG1 VAL A 96 -8.466 -15.246 -19.085 1.00 1.40 C ATOM 1558 CG2 VAL A 96 -8.327 -12.699 -18.983 1.00 2.14 C ATOM 0 H VAL A 96 -6.265 -13.859 -20.369 1.00 61.14 H new ATOM 0 HA VAL A 96 -8.564 -14.770 -21.820 1.00 43.22 H new ATOM 0 HB VAL A 96 -9.860 -13.845 -19.942 1.00 12.00 H new ATOM 0 HG11 VAL A 96 -8.903 -15.219 -18.087 1.00 1.40 H new ATOM 0 HG12 VAL A 96 -8.888 -16.082 -19.643 1.00 1.40 H new ATOM 0 HG13 VAL A 96 -7.386 -15.372 -19.005 1.00 1.40 H new ATOM 0 HG21 VAL A 96 -8.776 -12.753 -17.991 1.00 2.14 H new ATOM 0 HG22 VAL A 96 -7.241 -12.703 -18.890 1.00 2.14 H new ATOM 0 HG23 VAL A 96 -8.645 -11.780 -19.476 1.00 2.14 H new ATOM 1568 N LEU A 97 -7.798 -11.547 -21.902 1.00 35.04 N ATOM 1569 CA LEU A 97 -8.106 -10.265 -22.559 1.00 14.35 C ATOM 1570 C LEU A 97 -7.604 -10.338 -24.003 1.00 13.52 C ATOM 1571 O LEU A 97 -6.391 -10.362 -24.243 1.00 61.40 O ATOM 1572 CB LEU A 97 -7.460 -9.076 -21.766 1.00 33.34 C ATOM 1573 CG LEU A 97 -7.968 -7.608 -22.066 1.00 10.34 C ATOM 1574 CD1 LEU A 97 -7.480 -6.623 -20.977 1.00 0.14 C ATOM 1575 CD2 LEU A 97 -7.550 -7.091 -23.462 1.00 41.22 C ATOM 0 H LEU A 97 -6.944 -11.534 -21.344 1.00 35.04 H new ATOM 0 HA LEU A 97 -9.181 -10.084 -22.568 1.00 14.35 H new ATOM 0 HB2 LEU A 97 -7.607 -9.267 -20.703 1.00 33.34 H new ATOM 0 HB3 LEU A 97 -6.386 -9.100 -21.949 1.00 33.34 H new ATOM 0 HG LEU A 97 -9.057 -7.660 -22.055 1.00 10.34 H new ATOM 0 HD11 LEU A 97 -7.842 -5.620 -21.205 1.00 0.14 H new ATOM 0 HD12 LEU A 97 -7.864 -6.935 -20.006 1.00 0.14 H new ATOM 0 HD13 LEU A 97 -6.390 -6.619 -20.952 1.00 0.14 H new ATOM 0 HD21 LEU A 97 -7.930 -6.079 -23.604 1.00 41.22 H new ATOM 0 HD22 LEU A 97 -6.463 -7.084 -23.537 1.00 41.22 H new ATOM 0 HD23 LEU A 97 -7.962 -7.745 -24.231 1.00 41.22 H new ATOM 1830 N ILE A 429 -15.981 -13.943 -21.402 1.00 31.31 N ATOM 1831 CA ILE A 429 -14.655 -13.305 -21.514 1.00 55.40 C ATOM 1832 C ILE A 429 -14.625 -11.951 -20.773 1.00 1.32 C ATOM 1833 O ILE A 429 -13.709 -11.702 -20.006 1.00 5.20 O ATOM 1834 CB ILE A 429 -14.236 -13.150 -23.039 1.00 73.25 C ATOM 1835 CG1 ILE A 429 -12.829 -12.444 -23.240 1.00 24.35 C ATOM 1836 CG2 ILE A 429 -15.351 -12.456 -23.859 1.00 31.44 C ATOM 1837 CD1 ILE A 429 -12.835 -10.926 -23.437 1.00 12.12 C ATOM 0 HA ILE A 429 -13.921 -13.952 -21.033 1.00 55.40 H new ATOM 0 HB ILE A 429 -14.112 -14.162 -23.425 1.00 73.25 H new ATOM 0 HG12 ILE A 429 -12.209 -12.671 -22.372 1.00 24.35 H new ATOM 0 HG13 ILE A 429 -12.344 -12.896 -24.105 1.00 24.35 H new ATOM 0 HG21 ILE A 429 -15.035 -12.364 -24.898 1.00 31.44 H new ATOM 0 HG22 ILE A 429 -16.263 -13.050 -23.808 1.00 31.44 H new ATOM 0 HG23 ILE A 429 -15.541 -11.464 -23.449 1.00 31.44 H new ATOM 0 HD11 ILE A 429 -11.812 -10.571 -23.562 1.00 12.12 H new ATOM 0 HD12 ILE A 429 -13.417 -10.677 -24.324 1.00 12.12 H new ATOM 0 HD13 ILE A 429 -13.280 -10.448 -22.565 1.00 12.12 H new ATOM 1849 N ASP A 430 -15.676 -11.130 -20.958 1.00 54.12 N ATOM 1850 CA ASP A 430 -15.786 -9.796 -20.338 1.00 73.44 C ATOM 1851 C ASP A 430 -15.766 -9.881 -18.806 1.00 61.32 C ATOM 1852 O ASP A 430 -15.195 -9.022 -18.142 1.00 4.35 O ATOM 1853 CB ASP A 430 -17.085 -9.124 -20.807 1.00 62.21 C ATOM 1854 CG ASP A 430 -17.309 -7.719 -20.224 1.00 60.11 C ATOM 1855 OD1 ASP A 430 -16.535 -6.803 -20.555 1.00 42.54 O ATOM 1856 OD2 ASP A 430 -18.272 -7.515 -19.454 1.00 45.44 O ATOM 0 H ASP A 430 -16.475 -11.374 -21.543 1.00 54.12 H new ATOM 0 HA ASP A 430 -14.925 -9.203 -20.648 1.00 73.44 H new ATOM 0 HB2 ASP A 430 -17.075 -9.057 -21.895 1.00 62.21 H new ATOM 0 HB3 ASP A 430 -17.929 -9.758 -20.534 1.00 62.21 H new ATOM 1861 N GLU A 431 -16.376 -10.954 -18.278 1.00 42.13 N ATOM 1862 CA GLU A 431 -16.508 -11.186 -16.835 1.00 45.34 C ATOM 1863 C GLU A 431 -15.150 -11.559 -16.221 1.00 0.32 C ATOM 1864 O GLU A 431 -14.725 -10.941 -15.242 1.00 4.41 O ATOM 1865 CB GLU A 431 -17.564 -12.292 -16.574 1.00 3.04 C ATOM 1866 CG GLU A 431 -18.964 -11.960 -17.126 1.00 71.45 C ATOM 1867 CD GLU A 431 -19.974 -13.095 -16.897 1.00 10.51 C ATOM 1868 OE1 GLU A 431 -20.699 -13.068 -15.890 1.00 11.41 O ATOM 1869 OE2 GLU A 431 -20.025 -14.030 -17.714 1.00 31.22 O ATOM 0 H GLU A 431 -16.794 -11.690 -18.847 1.00 42.13 H new ATOM 0 HA GLU A 431 -16.846 -10.267 -16.356 1.00 45.34 H new ATOM 0 HB2 GLU A 431 -17.219 -13.224 -17.022 1.00 3.04 H new ATOM 0 HB3 GLU A 431 -17.639 -12.464 -15.500 1.00 3.04 H new ATOM 0 HG2 GLU A 431 -19.331 -11.050 -16.651 1.00 71.45 H new ATOM 0 HG3 GLU A 431 -18.890 -11.754 -18.194 1.00 71.45 H new ATOM 1876 N THR A 432 -14.456 -12.545 -16.830 1.00 35.32 N ATOM 1877 CA THR A 432 -13.155 -13.026 -16.319 1.00 31.31 C ATOM 1878 C THR A 432 -12.058 -11.941 -16.456 1.00 53.13 C ATOM 1879 O THR A 432 -11.207 -11.796 -15.563 1.00 62.54 O ATOM 1880 CB THR A 432 -12.714 -14.379 -16.989 1.00 22.51 C ATOM 1881 OG1 THR A 432 -11.515 -14.869 -16.369 1.00 53.02 O ATOM 1882 CG2 THR A 432 -12.484 -14.260 -18.502 1.00 31.34 C ATOM 0 H THR A 432 -14.774 -13.022 -17.674 1.00 35.32 H new ATOM 0 HA THR A 432 -13.289 -13.231 -15.257 1.00 31.31 H new ATOM 0 HB THR A 432 -13.538 -15.077 -16.839 1.00 22.51 H new ATOM 0 HG1 THR A 432 -11.249 -15.712 -16.792 1.00 53.02 H new ATOM 0 HG21 THR A 432 -12.182 -15.228 -18.901 1.00 31.34 H new ATOM 0 HG22 THR A 432 -13.406 -13.939 -18.986 1.00 31.34 H new ATOM 0 HG23 THR A 432 -11.700 -13.528 -18.694 1.00 31.34 H new ATOM 1890 N VAL A 433 -12.121 -11.156 -17.557 1.00 75.11 N ATOM 1891 CA VAL A 433 -11.231 -10.004 -17.782 1.00 30.14 C ATOM 1892 C VAL A 433 -11.486 -8.926 -16.728 1.00 51.32 C ATOM 1893 O VAL A 433 -10.547 -8.439 -16.119 1.00 23.23 O ATOM 1894 CB VAL A 433 -11.409 -9.393 -19.225 1.00 24.51 C ATOM 1895 CG1 VAL A 433 -10.637 -8.061 -19.395 1.00 61.24 C ATOM 1896 CG2 VAL A 433 -10.973 -10.408 -20.297 1.00 12.24 C ATOM 0 H VAL A 433 -12.791 -11.307 -18.311 1.00 75.11 H new ATOM 0 HA VAL A 433 -10.206 -10.364 -17.697 1.00 30.14 H new ATOM 0 HB VAL A 433 -12.468 -9.172 -19.354 1.00 24.51 H new ATOM 0 HG11 VAL A 433 -10.790 -7.678 -20.404 1.00 61.24 H new ATOM 0 HG12 VAL A 433 -11.004 -7.333 -18.672 1.00 61.24 H new ATOM 0 HG13 VAL A 433 -9.574 -8.233 -19.229 1.00 61.24 H new ATOM 0 HG21 VAL A 433 -11.102 -9.970 -21.287 1.00 12.24 H new ATOM 0 HG22 VAL A 433 -9.924 -10.666 -20.149 1.00 12.24 H new ATOM 0 HG23 VAL A 433 -11.583 -11.308 -20.216 1.00 12.24 H new ATOM 1906 N ALA A 434 -12.772 -8.603 -16.501 1.00 72.33 N ATOM 1907 CA ALA A 434 -13.189 -7.559 -15.550 1.00 14.04 C ATOM 1908 C ALA A 434 -12.696 -7.856 -14.130 1.00 31.33 C ATOM 1909 O ALA A 434 -12.305 -6.939 -13.407 1.00 23.24 O ATOM 1910 CB ALA A 434 -14.712 -7.398 -15.559 1.00 72.43 C ATOM 0 H ALA A 434 -13.552 -9.060 -16.973 1.00 72.33 H new ATOM 0 HA ALA A 434 -12.732 -6.623 -15.873 1.00 14.04 H new ATOM 0 HB1 ALA A 434 -15.000 -6.622 -14.850 1.00 72.43 H new ATOM 0 HB2 ALA A 434 -15.042 -7.116 -16.559 1.00 72.43 H new ATOM 0 HB3 ALA A 434 -15.179 -8.341 -15.275 1.00 72.43 H new ATOM 1916 N ARG A 435 -12.707 -9.147 -13.750 1.00 24.24 N ATOM 1917 CA ARG A 435 -12.235 -9.585 -12.428 1.00 71.02 C ATOM 1918 C ARG A 435 -10.722 -9.384 -12.294 1.00 72.43 C ATOM 1919 O ARG A 435 -10.277 -8.660 -11.402 1.00 22.41 O ATOM 1920 CB ARG A 435 -12.625 -11.063 -12.155 1.00 20.11 C ATOM 1921 CG ARG A 435 -14.153 -11.309 -12.091 1.00 0.52 C ATOM 1922 CD ARG A 435 -14.868 -10.399 -11.063 1.00 2.10 C ATOM 1923 NE ARG A 435 -16.329 -10.550 -11.104 1.00 22.04 N ATOM 1924 CZ ARG A 435 -17.221 -9.619 -10.729 1.00 2.54 C ATOM 1925 NH1 ARG A 435 -16.820 -8.426 -10.266 1.00 31.54 N ATOM 1926 NH2 ARG A 435 -18.518 -9.905 -10.811 1.00 3.04 N ATOM 0 H ARG A 435 -13.040 -9.906 -14.344 1.00 24.24 H new ATOM 0 HA ARG A 435 -12.726 -8.967 -11.676 1.00 71.02 H new ATOM 0 HB2 ARG A 435 -12.199 -11.691 -12.937 1.00 20.11 H new ATOM 0 HB3 ARG A 435 -12.177 -11.378 -11.213 1.00 20.11 H new ATOM 0 HG2 ARG A 435 -14.584 -11.142 -13.078 1.00 0.52 H new ATOM 0 HG3 ARG A 435 -14.337 -12.352 -11.835 1.00 0.52 H new ATOM 0 HD2 ARG A 435 -14.509 -10.635 -10.061 1.00 2.10 H new ATOM 0 HD3 ARG A 435 -14.607 -9.359 -11.259 1.00 2.10 H new ATOM 0 HE ARG A 435 -16.697 -11.438 -11.446 1.00 22.04 H new ATOM 0 HH11 ARG A 435 -15.825 -8.215 -10.195 1.00 31.54 H new ATOM 0 HH12 ARG A 435 -17.510 -7.730 -9.985 1.00 31.54 H new ATOM 0 HH21 ARG A 435 -18.818 -10.818 -11.154 1.00 3.04 H new ATOM 0 HH22 ARG A 435 -19.212 -9.212 -10.531 1.00 3.04 H new ATOM 1940 N TYR A 436 -9.947 -9.987 -13.217 1.00 41.20 N ATOM 1941 CA TYR A 436 -8.470 -9.938 -13.161 1.00 51.31 C ATOM 1942 C TYR A 436 -7.930 -8.510 -13.336 1.00 44.51 C ATOM 1943 O TYR A 436 -6.944 -8.150 -12.705 1.00 25.14 O ATOM 1944 CB TYR A 436 -7.834 -10.878 -14.215 1.00 22.30 C ATOM 1945 CG TYR A 436 -8.128 -12.365 -13.999 1.00 11.21 C ATOM 1946 CD1 TYR A 436 -8.129 -12.924 -12.713 1.00 23.05 C ATOM 1947 CD2 TYR A 436 -8.388 -13.217 -15.077 1.00 74.20 C ATOM 1948 CE1 TYR A 436 -8.380 -14.265 -12.520 1.00 1.34 C ATOM 1949 CE2 TYR A 436 -8.640 -14.558 -14.882 1.00 25.02 C ATOM 1950 CZ TYR A 436 -8.634 -15.076 -13.605 1.00 52.12 C ATOM 1951 OH TYR A 436 -8.886 -16.412 -13.406 1.00 64.15 O ATOM 0 H TYR A 436 -10.317 -10.513 -14.009 1.00 41.20 H new ATOM 0 HA TYR A 436 -8.187 -10.284 -12.167 1.00 51.31 H new ATOM 0 HB2 TYR A 436 -8.192 -10.590 -15.203 1.00 22.30 H new ATOM 0 HB3 TYR A 436 -6.754 -10.730 -14.211 1.00 22.30 H new ATOM 0 HD1 TYR A 436 -7.930 -12.293 -11.860 1.00 23.05 H new ATOM 0 HD2 TYR A 436 -8.391 -12.817 -16.080 1.00 74.20 H new ATOM 0 HE1 TYR A 436 -8.378 -14.679 -11.522 1.00 1.34 H new ATOM 0 HE2 TYR A 436 -8.841 -15.200 -15.727 1.00 25.02 H new ATOM 0 HH TYR A 436 -9.047 -16.847 -14.269 1.00 64.15 H new ATOM 1961 N LYS A 437 -8.603 -7.716 -14.185 1.00 50.21 N ATOM 1962 CA LYS A 437 -8.210 -6.325 -14.481 1.00 51.54 C ATOM 1963 C LYS A 437 -8.490 -5.415 -13.282 1.00 50.33 C ATOM 1964 O LYS A 437 -7.677 -4.545 -12.966 1.00 51.55 O ATOM 1965 CB LYS A 437 -8.937 -5.807 -15.753 1.00 45.30 C ATOM 1966 CG LYS A 437 -8.613 -4.345 -16.144 1.00 23.13 C ATOM 1967 CD LYS A 437 -9.256 -3.930 -17.489 1.00 70.02 C ATOM 1968 CE LYS A 437 -9.039 -2.444 -17.815 1.00 13.30 C ATOM 1969 NZ LYS A 437 -7.595 -2.089 -17.939 1.00 20.25 N ATOM 0 H LYS A 437 -9.437 -8.020 -14.687 1.00 50.21 H new ATOM 0 HA LYS A 437 -7.137 -6.307 -14.674 1.00 51.54 H new ATOM 0 HB2 LYS A 437 -8.679 -6.456 -16.590 1.00 45.30 H new ATOM 0 HB3 LYS A 437 -10.012 -5.896 -15.600 1.00 45.30 H new ATOM 0 HG2 LYS A 437 -8.963 -3.677 -15.357 1.00 23.13 H new ATOM 0 HG3 LYS A 437 -7.532 -4.222 -16.209 1.00 23.13 H new ATOM 0 HD2 LYS A 437 -8.837 -4.539 -18.291 1.00 70.02 H new ATOM 0 HD3 LYS A 437 -10.325 -4.138 -17.456 1.00 70.02 H new ATOM 0 HE2 LYS A 437 -9.550 -2.202 -18.747 1.00 13.30 H new ATOM 0 HE3 LYS A 437 -9.494 -1.834 -17.034 1.00 13.30 H new ATOM 0 HZ1 LYS A 437 -7.505 -1.084 -18.193 1.00 20.25 H new ATOM 0 HZ2 LYS A 437 -7.116 -2.261 -17.032 1.00 20.25 H new ATOM 0 HZ3 LYS A 437 -7.156 -2.673 -18.679 1.00 20.25 H new ATOM 1983 N ALA A 438 -9.633 -5.643 -12.602 1.00 34.15 N ATOM 1984 CA ALA A 438 -9.995 -4.878 -11.396 1.00 42.25 C ATOM 1985 C ALA A 438 -9.013 -5.167 -10.259 1.00 55.02 C ATOM 1986 O ALA A 438 -8.416 -4.239 -9.712 1.00 52.34 O ATOM 1987 CB ALA A 438 -11.431 -5.175 -10.955 1.00 22.33 C ATOM 0 H ALA A 438 -10.318 -6.350 -12.869 1.00 34.15 H new ATOM 0 HA ALA A 438 -9.936 -3.819 -11.646 1.00 42.25 H new ATOM 0 HB1 ALA A 438 -11.665 -4.594 -10.063 1.00 22.33 H new ATOM 0 HB2 ALA A 438 -12.120 -4.905 -11.755 1.00 22.33 H new ATOM 0 HB3 ALA A 438 -11.531 -6.237 -10.733 1.00 22.33 H new ATOM 1993 N GLN A 439 -8.816 -6.470 -9.950 1.00 52.02 N ATOM 1994 CA GLN A 439 -7.915 -6.904 -8.864 1.00 32.11 C ATOM 1995 C GLN A 439 -6.475 -6.423 -9.128 1.00 40.24 C ATOM 1996 O GLN A 439 -5.788 -5.961 -8.212 1.00 52.43 O ATOM 1997 CB GLN A 439 -7.934 -8.449 -8.697 1.00 5.25 C ATOM 1998 CG GLN A 439 -9.316 -9.081 -8.416 1.00 2.34 C ATOM 1999 CD GLN A 439 -10.058 -8.465 -7.231 1.00 54.22 C ATOM 2000 OE1 GLN A 439 -9.887 -8.883 -6.086 1.00 23.31 O ATOM 2001 NE2 GLN A 439 -10.912 -7.485 -7.505 1.00 21.22 N ATOM 0 H GLN A 439 -9.272 -7.239 -10.441 1.00 52.02 H new ATOM 0 HA GLN A 439 -8.276 -6.455 -7.939 1.00 32.11 H new ATOM 0 HB2 GLN A 439 -7.528 -8.898 -9.604 1.00 5.25 H new ATOM 0 HB3 GLN A 439 -7.262 -8.715 -7.881 1.00 5.25 H new ATOM 0 HG2 GLN A 439 -9.935 -8.984 -9.308 1.00 2.34 H new ATOM 0 HG3 GLN A 439 -9.185 -10.148 -8.233 1.00 2.34 H new ATOM 0 HE21 GLN A 439 -11.028 -7.164 -8.466 1.00 21.22 H new ATOM 0 HE22 GLN A 439 -11.451 -7.054 -6.754 1.00 21.22 H new ATOM 2010 N PHE A 440 -6.054 -6.506 -10.410 1.00 31.41 N ATOM 2011 CA PHE A 440 -4.736 -6.034 -10.854 1.00 51.01 C ATOM 2012 C PHE A 440 -4.581 -4.527 -10.569 1.00 3.52 C ATOM 2013 O PHE A 440 -3.754 -4.150 -9.753 1.00 11.32 O ATOM 2014 CB PHE A 440 -4.511 -6.344 -12.358 1.00 74.44 C ATOM 2015 CG PHE A 440 -3.138 -5.947 -12.887 1.00 74.22 C ATOM 2016 CD1 PHE A 440 -2.014 -6.716 -12.591 1.00 23.21 C ATOM 2017 CD2 PHE A 440 -2.963 -4.801 -13.668 1.00 44.31 C ATOM 2018 CE1 PHE A 440 -0.764 -6.354 -13.053 1.00 54.01 C ATOM 2019 CE2 PHE A 440 -1.713 -4.446 -14.130 1.00 4.22 C ATOM 2020 CZ PHE A 440 -0.612 -5.221 -13.822 1.00 2.44 C ATOM 0 H PHE A 440 -6.621 -6.902 -11.159 1.00 31.41 H new ATOM 0 HA PHE A 440 -3.972 -6.569 -10.289 1.00 51.01 H new ATOM 0 HB2 PHE A 440 -4.654 -7.412 -12.521 1.00 74.44 H new ATOM 0 HB3 PHE A 440 -5.274 -5.828 -12.940 1.00 74.44 H new ATOM 0 HD1 PHE A 440 -2.122 -7.608 -11.992 1.00 23.21 H new ATOM 0 HD2 PHE A 440 -3.817 -4.186 -13.913 1.00 44.31 H new ATOM 0 HE1 PHE A 440 0.096 -6.960 -12.811 1.00 54.01 H new ATOM 0 HE2 PHE A 440 -1.595 -3.559 -14.735 1.00 4.22 H new ATOM 0 HZ PHE A 440 0.366 -4.939 -14.183 1.00 2.44 H new ATOM 2030 N THR A 441 -5.455 -3.700 -11.190 1.00 14.23 N ATOM 2031 CA THR A 441 -5.388 -2.220 -11.120 1.00 73.13 C ATOM 2032 C THR A 441 -5.439 -1.692 -9.664 1.00 32.43 C ATOM 2033 O THR A 441 -4.738 -0.739 -9.328 1.00 43.11 O ATOM 2034 CB THR A 441 -6.547 -1.583 -11.963 1.00 41.02 C ATOM 2035 OG1 THR A 441 -6.455 -2.037 -13.327 1.00 74.42 O ATOM 2036 CG2 THR A 441 -6.524 -0.040 -11.949 1.00 11.31 C ATOM 0 H THR A 441 -6.231 -4.042 -11.757 1.00 14.23 H new ATOM 0 HA THR A 441 -4.426 -1.924 -11.538 1.00 73.13 H new ATOM 0 HB THR A 441 -7.483 -1.902 -11.505 1.00 41.02 H new ATOM 0 HG1 THR A 441 -6.831 -2.939 -13.397 1.00 74.42 H new ATOM 0 HG21 THR A 441 -7.350 0.342 -12.550 1.00 11.31 H new ATOM 0 HG22 THR A 441 -6.626 0.316 -10.924 1.00 11.31 H new ATOM 0 HG23 THR A 441 -5.580 0.314 -12.364 1.00 11.31 H new ATOM 2044 N GLN A 442 -6.245 -2.349 -8.815 1.00 22.34 N ATOM 2045 CA GLN A 442 -6.420 -1.964 -7.399 1.00 40.05 C ATOM 2046 C GLN A 442 -5.131 -2.207 -6.589 1.00 41.01 C ATOM 2047 O GLN A 442 -4.638 -1.301 -5.910 1.00 21.30 O ATOM 2048 CB GLN A 442 -7.621 -2.732 -6.794 1.00 42.23 C ATOM 2049 CG GLN A 442 -8.996 -2.276 -7.339 1.00 53.23 C ATOM 2050 CD GLN A 442 -10.153 -3.225 -6.992 1.00 30.43 C ATOM 2051 OE1 GLN A 442 -9.887 -4.530 -6.976 1.00 33.45 O flip ATOM 2052 NE2 GLN A 442 -11.292 -2.797 -6.793 1.00 33.42 N flip ATOM 0 H GLN A 442 -6.796 -3.163 -9.088 1.00 22.34 H new ATOM 0 HA GLN A 442 -6.629 -0.895 -7.350 1.00 40.05 H new ATOM 0 HB2 GLN A 442 -7.497 -3.796 -6.994 1.00 42.23 H new ATOM 0 HB3 GLN A 442 -7.611 -2.608 -5.711 1.00 42.23 H new ATOM 0 HG2 GLN A 442 -9.221 -1.286 -6.944 1.00 53.23 H new ATOM 0 HG3 GLN A 442 -8.932 -2.180 -8.423 1.00 53.23 H new ATOM 0 HE21 GLN A 442 -11.470 -1.793 -6.811 1.00 33.42 H new ATOM 0 HE22 GLN A 442 -12.057 -3.447 -6.611 1.00 33.42 H new ATOM 2061 N LEU A 443 -4.571 -3.426 -6.702 1.00 63.53 N ATOM 2062 CA LEU A 443 -3.306 -3.795 -6.019 1.00 73.33 C ATOM 2063 C LEU A 443 -2.080 -3.103 -6.690 1.00 10.11 C ATOM 2064 O LEU A 443 -1.013 -2.990 -6.074 1.00 63.35 O ATOM 2065 CB LEU A 443 -3.123 -5.349 -5.989 1.00 20.10 C ATOM 2066 CG LEU A 443 -3.959 -6.188 -4.945 1.00 1.14 C ATOM 2067 CD1 LEU A 443 -5.483 -6.032 -5.113 1.00 35.42 C ATOM 2068 CD2 LEU A 443 -3.562 -7.684 -5.017 1.00 61.43 C ATOM 0 H LEU A 443 -4.973 -4.178 -7.261 1.00 63.53 H new ATOM 0 HA LEU A 443 -3.366 -3.440 -4.990 1.00 73.33 H new ATOM 0 HB2 LEU A 443 -3.358 -5.729 -6.983 1.00 20.10 H new ATOM 0 HB3 LEU A 443 -2.068 -5.555 -5.810 1.00 20.10 H new ATOM 0 HG LEU A 443 -3.714 -5.787 -3.961 1.00 1.14 H new ATOM 0 HD11 LEU A 443 -5.995 -6.635 -4.364 1.00 35.42 H new ATOM 0 HD12 LEU A 443 -5.758 -4.985 -4.986 1.00 35.42 H new ATOM 0 HD13 LEU A 443 -5.775 -6.365 -6.109 1.00 35.42 H new ATOM 0 HD21 LEU A 443 -4.146 -8.251 -4.292 1.00 61.43 H new ATOM 0 HD22 LEU A 443 -3.759 -8.065 -6.019 1.00 61.43 H new ATOM 0 HD23 LEU A 443 -2.501 -7.790 -4.791 1.00 61.43 H new ATOM 2080 N ASP A 444 -2.263 -2.653 -7.951 1.00 51.31 N ATOM 2081 CA ASP A 444 -1.212 -2.003 -8.773 1.00 10.13 C ATOM 2082 C ASP A 444 -1.044 -0.526 -8.396 1.00 31.10 C ATOM 2083 O ASP A 444 0.085 -0.054 -8.218 1.00 63.45 O ATOM 2084 CB ASP A 444 -1.554 -2.139 -10.284 1.00 53.34 C ATOM 2085 CG ASP A 444 -0.555 -1.435 -11.216 1.00 12.12 C ATOM 2086 OD1 ASP A 444 -0.922 -0.442 -11.885 1.00 34.40 O ATOM 2087 OD2 ASP A 444 0.606 -1.873 -11.282 1.00 35.35 O ATOM 0 H ASP A 444 -3.157 -2.731 -8.436 1.00 51.31 H new ATOM 0 HA ASP A 444 -0.267 -2.508 -8.574 1.00 10.13 H new ATOM 0 HB2 ASP A 444 -1.594 -3.197 -10.543 1.00 53.34 H new ATOM 0 HB3 ASP A 444 -2.549 -1.730 -10.459 1.00 53.34 H new ATOM 2092 N THR A 445 -2.173 0.207 -8.287 1.00 14.52 N ATOM 2093 CA THR A 445 -2.160 1.605 -7.820 1.00 34.51 C ATOM 2094 C THR A 445 -1.739 1.653 -6.343 1.00 11.44 C ATOM 2095 O THR A 445 -1.054 2.599 -5.918 1.00 2.34 O ATOM 2096 CB THR A 445 -3.531 2.336 -8.037 1.00 34.23 C ATOM 2097 OG1 THR A 445 -3.428 3.725 -7.649 1.00 30.24 O ATOM 2098 CG2 THR A 445 -4.692 1.677 -7.274 1.00 21.31 C ATOM 0 H THR A 445 -3.102 -0.148 -8.516 1.00 14.52 H new ATOM 0 HA THR A 445 -1.432 2.145 -8.425 1.00 34.51 H new ATOM 0 HB THR A 445 -3.755 2.258 -9.101 1.00 34.23 H new ATOM 0 HG1 THR A 445 -4.290 4.169 -7.791 1.00 30.24 H new ATOM 0 HG21 THR A 445 -5.612 2.229 -7.465 1.00 21.31 H new ATOM 0 HG22 THR A 445 -4.810 0.647 -7.610 1.00 21.31 H new ATOM 0 HG23 THR A 445 -4.478 1.688 -6.205 1.00 21.31 H new ATOM 2106 N MET A 446 -2.129 0.594 -5.581 1.00 3.21 N ATOM 2107 CA MET A 446 -1.666 0.393 -4.209 1.00 3.20 C ATOM 2108 C MET A 446 -0.141 0.273 -4.186 1.00 32.51 C ATOM 2109 O MET A 446 0.504 0.933 -3.388 1.00 63.51 O ATOM 2110 CB MET A 446 -2.295 -0.868 -3.552 1.00 4.22 C ATOM 2111 CG MET A 446 -1.948 -1.014 -2.062 1.00 12.52 C ATOM 2112 SD MET A 446 -2.636 -2.495 -1.297 1.00 22.14 S ATOM 2113 CE MET A 446 -2.093 -2.287 0.403 1.00 44.31 C ATOM 0 H MET A 446 -2.768 -0.130 -5.911 1.00 3.21 H new ATOM 0 HA MET A 446 -1.984 1.261 -3.631 1.00 3.20 H new ATOM 0 HB2 MET A 446 -3.378 -0.825 -3.663 1.00 4.22 H new ATOM 0 HB3 MET A 446 -1.955 -1.755 -4.086 1.00 4.22 H new ATOM 0 HG2 MET A 446 -0.864 -1.029 -1.951 1.00 12.52 H new ATOM 0 HG3 MET A 446 -2.311 -0.137 -1.526 1.00 12.52 H new ATOM 0 HE1 MET A 446 -1.478 -3.138 0.695 1.00 44.31 H new ATOM 0 HE2 MET A 446 -1.508 -1.371 0.489 1.00 44.31 H new ATOM 0 HE3 MET A 446 -2.962 -2.225 1.058 1.00 44.31 H new ATOM 2123 N MET A 447 0.409 -0.551 -5.110 1.00 12.44 N ATOM 2124 CA MET A 447 1.854 -0.840 -5.181 1.00 14.02 C ATOM 2125 C MET A 447 2.683 0.395 -5.515 1.00 41.11 C ATOM 2126 O MET A 447 3.649 0.695 -4.809 1.00 72.12 O ATOM 2127 CB MET A 447 2.174 -1.966 -6.190 1.00 31.15 C ATOM 2128 CG MET A 447 3.689 -2.202 -6.405 1.00 21.13 C ATOM 2129 SD MET A 447 4.036 -3.792 -7.148 1.00 31.53 S ATOM 2130 CE MET A 447 3.445 -4.856 -5.845 1.00 40.34 C ATOM 0 H MET A 447 -0.139 -1.031 -5.824 1.00 12.44 H new ATOM 0 HA MET A 447 2.131 -1.176 -4.182 1.00 14.02 H new ATOM 0 HB2 MET A 447 1.717 -2.893 -5.843 1.00 31.15 H new ATOM 0 HB3 MET A 447 1.714 -1.724 -7.148 1.00 31.15 H new ATOM 0 HG2 MET A 447 4.090 -1.412 -7.041 1.00 21.13 H new ATOM 0 HG3 MET A 447 4.204 -2.132 -5.447 1.00 21.13 H new ATOM 0 HE1 MET A 447 3.859 -5.856 -5.976 1.00 40.34 H new ATOM 0 HE2 MET A 447 3.758 -4.457 -4.880 1.00 40.34 H new ATOM 0 HE3 MET A 447 2.357 -4.906 -5.882 1.00 40.34 H new ATOM 2140 N SER A 448 2.308 1.092 -6.596 1.00 74.12 N ATOM 2141 CA SER A 448 3.028 2.284 -7.069 1.00 2.51 C ATOM 2142 C SER A 448 3.103 3.357 -5.970 1.00 51.32 C ATOM 2143 O SER A 448 4.164 3.962 -5.738 1.00 22.14 O ATOM 2144 CB SER A 448 2.335 2.835 -8.323 1.00 40.12 C ATOM 2145 OG SER A 448 0.951 3.023 -8.094 1.00 24.34 O ATOM 0 H SER A 448 1.499 0.847 -7.167 1.00 74.12 H new ATOM 0 HA SER A 448 4.050 2.002 -7.320 1.00 2.51 H new ATOM 0 HB2 SER A 448 2.792 3.782 -8.609 1.00 40.12 H new ATOM 0 HB3 SER A 448 2.480 2.146 -9.156 1.00 40.12 H new ATOM 0 HG SER A 448 0.530 3.376 -8.906 1.00 24.34 H new ATOM 2151 N LYS A 449 1.970 3.552 -5.271 1.00 65.23 N ATOM 2152 CA LYS A 449 1.892 4.491 -4.152 1.00 53.42 C ATOM 2153 C LYS A 449 2.645 3.965 -2.921 1.00 43.24 C ATOM 2154 O LYS A 449 3.343 4.739 -2.291 1.00 35.23 O ATOM 2155 CB LYS A 449 0.419 4.830 -3.819 1.00 4.02 C ATOM 2156 CG LYS A 449 -0.285 5.640 -4.933 1.00 62.32 C ATOM 2157 CD LYS A 449 -1.752 5.988 -4.604 1.00 53.53 C ATOM 2158 CE LYS A 449 -1.901 6.875 -3.360 1.00 1.30 C ATOM 2159 NZ LYS A 449 -3.313 7.296 -3.143 1.00 32.14 N ATOM 0 H LYS A 449 1.095 3.066 -5.468 1.00 65.23 H new ATOM 0 HA LYS A 449 2.385 5.415 -4.456 1.00 53.42 H new ATOM 0 HB2 LYS A 449 -0.131 3.904 -3.649 1.00 4.02 H new ATOM 0 HB3 LYS A 449 0.384 5.397 -2.889 1.00 4.02 H new ATOM 0 HG2 LYS A 449 0.269 6.562 -5.107 1.00 62.32 H new ATOM 0 HG3 LYS A 449 -0.254 5.070 -5.861 1.00 62.32 H new ATOM 0 HD2 LYS A 449 -2.198 6.495 -5.459 1.00 53.53 H new ATOM 0 HD3 LYS A 449 -2.312 5.065 -4.453 1.00 53.53 H new ATOM 0 HE2 LYS A 449 -1.545 6.334 -2.484 1.00 1.30 H new ATOM 0 HE3 LYS A 449 -1.271 7.758 -3.467 1.00 1.30 H new ATOM 0 HZ1 LYS A 449 -3.376 7.865 -2.275 1.00 32.14 H new ATOM 0 HZ2 LYS A 449 -3.634 7.863 -3.953 1.00 32.14 H new ATOM 0 HZ3 LYS A 449 -3.916 6.454 -3.049 1.00 32.14 H new ATOM 2173 N LEU A 450 2.553 2.647 -2.613 1.00 23.24 N ATOM 2174 CA LEU A 450 3.191 2.083 -1.389 1.00 45.23 C ATOM 2175 C LEU A 450 4.721 2.012 -1.543 1.00 35.22 C ATOM 2176 O LEU A 450 5.453 1.997 -0.554 1.00 13.41 O ATOM 2177 CB LEU A 450 2.557 0.712 -0.933 1.00 75.33 C ATOM 2178 CG LEU A 450 2.848 -0.624 -1.724 1.00 53.11 C ATOM 2179 CD1 LEU A 450 4.256 -1.217 -1.473 1.00 24.14 C ATOM 2180 CD2 LEU A 450 1.770 -1.689 -1.405 1.00 72.01 C ATOM 0 H LEU A 450 2.054 1.963 -3.181 1.00 23.24 H new ATOM 0 HA LEU A 450 2.979 2.775 -0.574 1.00 45.23 H new ATOM 0 HB2 LEU A 450 2.866 0.545 0.099 1.00 75.33 H new ATOM 0 HB3 LEU A 450 1.476 0.848 -0.924 1.00 75.33 H new ATOM 0 HG LEU A 450 2.813 -0.351 -2.779 1.00 53.11 H new ATOM 0 HD11 LEU A 450 4.374 -2.132 -2.053 1.00 24.14 H new ATOM 0 HD12 LEU A 450 5.014 -0.495 -1.776 1.00 24.14 H new ATOM 0 HD13 LEU A 450 4.372 -1.442 -0.413 1.00 24.14 H new ATOM 0 HD21 LEU A 450 1.986 -2.603 -1.959 1.00 72.01 H new ATOM 0 HD22 LEU A 450 1.775 -1.903 -0.336 1.00 72.01 H new ATOM 0 HD23 LEU A 450 0.789 -1.312 -1.696 1.00 72.01 H new ATOM 2192 N ASN A 451 5.186 1.969 -2.798 1.00 63.20 N ATOM 2193 CA ASN A 451 6.618 1.949 -3.128 1.00 32.42 C ATOM 2194 C ASN A 451 7.182 3.384 -3.038 1.00 44.04 C ATOM 2195 O ASN A 451 8.300 3.594 -2.543 1.00 64.10 O ATOM 2196 CB ASN A 451 6.824 1.322 -4.537 1.00 30.04 C ATOM 2197 CG ASN A 451 8.292 1.053 -4.876 1.00 11.12 C ATOM 2198 OD1 ASN A 451 8.833 -0.007 -4.544 1.00 40.13 O ATOM 2199 ND2 ASN A 451 8.942 1.997 -5.540 1.00 3.12 N ATOM 0 H ASN A 451 4.578 1.947 -3.617 1.00 63.20 H new ATOM 0 HA ASN A 451 7.164 1.331 -2.415 1.00 32.42 H new ATOM 0 HB2 ASN A 451 6.269 0.386 -4.594 1.00 30.04 H new ATOM 0 HB3 ASN A 451 6.402 1.989 -5.288 1.00 30.04 H new ATOM 0 HD21 ASN A 451 9.921 1.861 -5.793 1.00 3.12 H new ATOM 0 HD22 ASN A 451 8.464 2.860 -5.798 1.00 3.12 H new ATOM 2206 N ASN A 452 6.369 4.364 -3.503 1.00 51.05 N ATOM 2207 CA ASN A 452 6.672 5.807 -3.386 1.00 4.24 C ATOM 2208 C ASN A 452 6.692 6.232 -1.907 1.00 62.04 C ATOM 2209 O ASN A 452 7.582 6.990 -1.477 1.00 15.54 O ATOM 2210 CB ASN A 452 5.613 6.650 -4.159 1.00 23.44 C ATOM 2211 CG ASN A 452 5.849 8.171 -4.092 1.00 4.23 C ATOM 2212 OD1 ASN A 452 6.989 8.651 -4.075 1.00 14.00 O ATOM 2213 ND2 ASN A 452 4.776 8.936 -4.034 1.00 43.43 N ATOM 0 H ASN A 452 5.483 4.173 -3.971 1.00 51.05 H new ATOM 0 HA ASN A 452 7.655 5.986 -3.822 1.00 4.24 H new ATOM 0 HB2 ASN A 452 5.609 6.339 -5.204 1.00 23.44 H new ATOM 0 HB3 ASN A 452 4.624 6.428 -3.757 1.00 23.44 H new ATOM 0 HD21 ASN A 452 4.875 9.949 -3.973 1.00 43.43 H new ATOM 0 HD22 ASN A 452 3.847 8.514 -4.050 1.00 43.43 H new ATOM 2220 N THR A 453 5.709 5.726 -1.132 1.00 62.12 N ATOM 2221 CA THR A 453 5.578 6.052 0.283 1.00 62.23 C ATOM 2222 C THR A 453 6.784 5.509 1.046 1.00 3.00 C ATOM 2223 O THR A 453 7.547 6.306 1.569 1.00 61.41 O ATOM 2224 CB THR A 453 4.244 5.537 0.913 1.00 24.32 C ATOM 2225 OG1 THR A 453 4.116 4.164 0.659 1.00 10.23 O ATOM 2226 CG2 THR A 453 2.998 6.268 0.373 1.00 60.45 C ATOM 0 H THR A 453 4.994 5.085 -1.477 1.00 62.12 H new ATOM 0 HA THR A 453 5.547 7.139 0.364 1.00 62.23 H new ATOM 0 HB THR A 453 4.296 5.738 1.983 1.00 24.32 H new ATOM 0 HG1 THR A 453 3.575 3.750 1.363 1.00 10.23 H new ATOM 0 HG21 THR A 453 2.104 5.865 0.849 1.00 60.45 H new ATOM 0 HG22 THR A 453 3.077 7.333 0.593 1.00 60.45 H new ATOM 0 HG23 THR A 453 2.931 6.124 -0.705 1.00 60.45 H new ATOM 2234 N SER A 454 6.998 4.167 1.015 1.00 0.24 N ATOM 2235 CA SER A 454 8.122 3.497 1.714 1.00 13.41 C ATOM 2236 C SER A 454 9.486 4.125 1.369 1.00 32.45 C ATOM 2237 O SER A 454 10.385 4.143 2.216 1.00 62.45 O ATOM 2238 CB SER A 454 8.141 1.988 1.401 1.00 70.50 C ATOM 2239 OG SER A 454 8.202 1.750 0.005 1.00 11.45 O ATOM 0 H SER A 454 6.395 3.522 0.504 1.00 0.24 H new ATOM 0 HA SER A 454 7.956 3.639 2.782 1.00 13.41 H new ATOM 0 HB2 SER A 454 8.999 1.525 1.888 1.00 70.50 H new ATOM 0 HB3 SER A 454 7.248 1.518 1.813 1.00 70.50 H new ATOM 0 HG SER A 454 7.300 1.797 -0.375 1.00 11.45 H new ATOM 2245 N SER A 455 9.613 4.653 0.132 1.00 62.10 N ATOM 2246 CA SER A 455 10.778 5.451 -0.285 1.00 24.31 C ATOM 2247 C SER A 455 10.968 6.686 0.633 1.00 65.52 C ATOM 2248 O SER A 455 11.923 6.736 1.425 1.00 63.23 O ATOM 2249 CB SER A 455 10.626 5.882 -1.760 1.00 40.42 C ATOM 2250 OG SER A 455 11.733 6.652 -2.210 1.00 3.42 O ATOM 0 H SER A 455 8.912 4.537 -0.600 1.00 62.10 H new ATOM 0 HA SER A 455 11.670 4.831 -0.192 1.00 24.31 H new ATOM 0 HB2 SER A 455 10.522 4.996 -2.387 1.00 40.42 H new ATOM 0 HB3 SER A 455 9.711 6.463 -1.875 1.00 40.42 H new ATOM 0 HG SER A 455 11.598 6.902 -3.148 1.00 3.42 H new ATOM 2256 N TYR A 456 10.025 7.661 0.578 1.00 73.21 N ATOM 2257 CA TYR A 456 10.157 8.906 1.373 1.00 65.35 C ATOM 2258 C TYR A 456 9.972 8.670 2.889 1.00 14.42 C ATOM 2259 O TYR A 456 10.402 9.493 3.699 1.00 12.52 O ATOM 2260 CB TYR A 456 9.270 10.075 0.837 1.00 51.50 C ATOM 2261 CG TYR A 456 7.744 9.855 0.723 1.00 63.54 C ATOM 2262 CD1 TYR A 456 6.942 9.604 1.843 1.00 51.30 C ATOM 2263 CD2 TYR A 456 7.088 9.982 -0.512 1.00 24.45 C ATOM 2264 CE1 TYR A 456 5.571 9.490 1.732 1.00 75.15 C ATOM 2265 CE2 TYR A 456 5.716 9.855 -0.620 1.00 62.13 C ATOM 2266 CZ TYR A 456 4.964 9.615 0.504 1.00 64.41 C ATOM 2267 OH TYR A 456 3.594 9.515 0.399 1.00 10.31 O ATOM 0 H TYR A 456 9.183 7.611 0.004 1.00 73.21 H new ATOM 0 HA TYR A 456 11.189 9.230 1.238 1.00 65.35 H new ATOM 0 HB2 TYR A 456 9.433 10.937 1.484 1.00 51.50 H new ATOM 0 HB3 TYR A 456 9.640 10.344 -0.152 1.00 51.50 H new ATOM 0 HD1 TYR A 456 7.405 9.498 2.813 1.00 51.30 H new ATOM 0 HD2 TYR A 456 7.670 10.184 -1.399 1.00 24.45 H new ATOM 0 HE1 TYR A 456 4.973 9.302 2.612 1.00 75.15 H new ATOM 0 HE2 TYR A 456 5.237 9.944 -1.584 1.00 62.13 H new ATOM 0 HH TYR A 456 3.329 9.628 -0.538 1.00 10.31 H new ATOM 2277 N LEU A 457 9.337 7.543 3.259 1.00 62.40 N ATOM 2278 CA LEU A 457 9.120 7.160 4.663 1.00 53.43 C ATOM 2279 C LEU A 457 10.439 6.731 5.313 1.00 64.35 C ATOM 2280 O LEU A 457 10.722 7.137 6.435 1.00 41.41 O ATOM 2281 CB LEU A 457 8.072 6.014 4.802 1.00 11.22 C ATOM 2282 CG LEU A 457 6.585 6.377 4.510 1.00 52.34 C ATOM 2283 CD1 LEU A 457 5.670 5.143 4.678 1.00 65.11 C ATOM 2284 CD2 LEU A 457 6.122 7.543 5.389 1.00 75.13 C ATOM 0 H LEU A 457 8.960 6.872 2.590 1.00 62.40 H new ATOM 0 HA LEU A 457 8.728 8.038 5.176 1.00 53.43 H new ATOM 0 HB2 LEU A 457 8.362 5.206 4.130 1.00 11.22 H new ATOM 0 HB3 LEU A 457 8.132 5.621 5.817 1.00 11.22 H new ATOM 0 HG LEU A 457 6.513 6.700 3.471 1.00 52.34 H new ATOM 0 HD11 LEU A 457 4.638 5.424 4.468 1.00 65.11 H new ATOM 0 HD12 LEU A 457 5.981 4.362 3.984 1.00 65.11 H new ATOM 0 HD13 LEU A 457 5.744 4.771 5.700 1.00 65.11 H new ATOM 0 HD21 LEU A 457 5.081 7.776 5.165 1.00 75.13 H new ATOM 0 HD22 LEU A 457 6.214 7.266 6.439 1.00 75.13 H new ATOM 0 HD23 LEU A 457 6.741 8.418 5.189 1.00 75.13 H new ATOM 2296 N THR A 458 11.237 5.906 4.596 1.00 21.14 N ATOM 2297 CA THR A 458 12.521 5.401 5.124 1.00 75.40 C ATOM 2298 C THR A 458 13.585 6.510 5.148 1.00 52.11 C ATOM 2299 O THR A 458 14.456 6.510 6.019 1.00 20.44 O ATOM 2300 CB THR A 458 13.045 4.146 4.344 1.00 2.35 C ATOM 2301 OG1 THR A 458 14.122 3.528 5.073 1.00 13.22 O ATOM 2302 CG2 THR A 458 13.521 4.468 2.915 1.00 24.12 C ATOM 0 H THR A 458 11.014 5.579 3.656 1.00 21.14 H new ATOM 0 HA THR A 458 12.329 5.080 6.148 1.00 75.40 H new ATOM 0 HB THR A 458 12.198 3.466 4.255 1.00 2.35 H new ATOM 0 HG1 THR A 458 14.443 2.744 4.580 1.00 13.22 H new ATOM 0 HG21 THR A 458 13.870 3.555 2.433 1.00 24.12 H new ATOM 0 HG22 THR A 458 12.694 4.887 2.342 1.00 24.12 H new ATOM 0 HG23 THR A 458 14.336 5.190 2.957 1.00 24.12 H new ATOM 2310 N GLN A 459 13.498 7.452 4.185 1.00 24.32 N ATOM 2311 CA GLN A 459 14.371 8.644 4.154 1.00 42.21 C ATOM 2312 C GLN A 459 14.091 9.546 5.376 1.00 74.55 C ATOM 2313 O GLN A 459 15.018 9.935 6.111 1.00 2.35 O ATOM 2314 CB GLN A 459 14.162 9.424 2.832 1.00 41.51 C ATOM 2315 CG GLN A 459 14.499 8.621 1.560 1.00 54.04 C ATOM 2316 CD GLN A 459 14.198 9.362 0.248 1.00 22.11 C ATOM 2317 OE1 GLN A 459 13.167 10.203 0.234 1.00 4.30 O flip ATOM 2318 NE2 GLN A 459 14.881 9.165 -0.760 1.00 52.34 N flip ATOM 0 H GLN A 459 12.829 7.409 3.416 1.00 24.32 H new ATOM 0 HA GLN A 459 15.411 8.322 4.201 1.00 42.21 H new ATOM 0 HB2 GLN A 459 13.123 9.750 2.777 1.00 41.51 H new ATOM 0 HB3 GLN A 459 14.778 10.323 2.853 1.00 41.51 H new ATOM 0 HG2 GLN A 459 15.556 8.357 1.580 1.00 54.04 H new ATOM 0 HG3 GLN A 459 13.937 7.687 1.574 1.00 54.04 H new ATOM 0 HE21 GLN A 459 15.667 8.515 -0.725 1.00 52.34 H new ATOM 0 HE22 GLN A 459 14.660 9.652 -1.629 1.00 52.34 H new ATOM 2327 N GLN A 460 12.790 9.837 5.586 1.00 25.04 N ATOM 2328 CA GLN A 460 12.298 10.593 6.751 1.00 42.10 C ATOM 2329 C GLN A 460 12.581 9.830 8.060 1.00 15.12 C ATOM 2330 O GLN A 460 12.836 10.447 9.078 1.00 23.42 O ATOM 2331 CB GLN A 460 10.776 10.884 6.597 1.00 33.50 C ATOM 2332 CG GLN A 460 10.105 11.620 7.786 1.00 2.54 C ATOM 2333 CD GLN A 460 10.663 13.025 8.059 1.00 40.11 C ATOM 2334 OE1 GLN A 460 11.655 13.120 8.928 1.00 34.22 O flip ATOM 2335 NE2 GLN A 460 10.190 14.019 7.509 1.00 15.44 N flip ATOM 0 H GLN A 460 12.049 9.551 4.946 1.00 25.04 H new ATOM 0 HA GLN A 460 12.830 11.543 6.798 1.00 42.10 H new ATOM 0 HB2 GLN A 460 10.629 11.480 5.696 1.00 33.50 H new ATOM 0 HB3 GLN A 460 10.258 9.937 6.442 1.00 33.50 H new ATOM 0 HG2 GLN A 460 9.035 11.699 7.592 1.00 2.54 H new ATOM 0 HG3 GLN A 460 10.222 11.015 8.685 1.00 2.54 H new ATOM 0 HE21 GLN A 460 9.425 13.917 6.842 1.00 15.44 H new ATOM 0 HE22 GLN A 460 10.563 14.945 7.720 1.00 15.44 H new ATOM 2344 N PHE A 461 12.556 8.486 8.011 1.00 1.45 N ATOM 2345 CA PHE A 461 12.824 7.638 9.189 1.00 50.12 C ATOM 2346 C PHE A 461 14.276 7.804 9.648 1.00 13.40 C ATOM 2347 O PHE A 461 14.522 8.077 10.815 1.00 54.44 O ATOM 2348 CB PHE A 461 12.517 6.147 8.887 1.00 61.11 C ATOM 2349 CG PHE A 461 12.825 5.177 10.032 1.00 63.23 C ATOM 2350 CD1 PHE A 461 12.348 5.417 11.325 1.00 34.04 C ATOM 2351 CD2 PHE A 461 13.593 4.026 9.822 1.00 21.13 C ATOM 2352 CE1 PHE A 461 12.638 4.552 12.359 1.00 22.14 C ATOM 2353 CE2 PHE A 461 13.874 3.160 10.862 1.00 54.23 C ATOM 2354 CZ PHE A 461 13.398 3.423 12.130 1.00 30.33 C ATOM 0 H PHE A 461 12.351 7.960 7.162 1.00 1.45 H new ATOM 0 HA PHE A 461 12.164 7.961 9.994 1.00 50.12 H new ATOM 0 HB2 PHE A 461 11.463 6.054 8.626 1.00 61.11 H new ATOM 0 HB3 PHE A 461 13.090 5.844 8.010 1.00 61.11 H new ATOM 0 HD1 PHE A 461 11.744 6.292 11.516 1.00 34.04 H new ATOM 0 HD2 PHE A 461 13.971 3.811 8.833 1.00 21.13 H new ATOM 0 HE1 PHE A 461 12.269 4.759 13.353 1.00 22.14 H new ATOM 0 HE2 PHE A 461 14.467 2.276 10.682 1.00 54.23 H new ATOM 0 HZ PHE A 461 13.620 2.746 12.942 1.00 30.33 H new ATOM 2364 N THR A 462 15.215 7.667 8.698 1.00 2.31 N ATOM 2365 CA THR A 462 16.657 7.755 8.971 1.00 54.23 C ATOM 2366 C THR A 462 17.045 9.152 9.503 1.00 25.15 C ATOM 2367 O THR A 462 17.895 9.271 10.390 1.00 13.44 O ATOM 2368 CB THR A 462 17.473 7.424 7.681 1.00 43.14 C ATOM 2369 OG1 THR A 462 17.002 6.187 7.126 1.00 33.04 O ATOM 2370 CG2 THR A 462 18.982 7.300 7.950 1.00 12.12 C ATOM 0 H THR A 462 14.994 7.492 7.718 1.00 2.31 H new ATOM 0 HA THR A 462 16.897 7.023 9.743 1.00 54.23 H new ATOM 0 HB THR A 462 17.325 8.251 6.986 1.00 43.14 H new ATOM 0 HG1 THR A 462 16.145 6.336 6.675 1.00 33.04 H new ATOM 0 HG21 THR A 462 19.500 7.069 7.019 1.00 12.12 H new ATOM 0 HG22 THR A 462 19.359 8.241 8.351 1.00 12.12 H new ATOM 0 HG23 THR A 462 19.159 6.502 8.671 1.00 12.12 H new ATOM 2378 N ALA A 463 16.397 10.199 8.958 1.00 62.32 N ATOM 2379 CA ALA A 463 16.635 11.591 9.381 1.00 60.44 C ATOM 2380 C ALA A 463 16.021 11.870 10.772 1.00 62.32 C ATOM 2381 O ALA A 463 16.720 12.313 11.689 1.00 71.02 O ATOM 2382 CB ALA A 463 16.073 12.560 8.330 1.00 21.23 C ATOM 0 H ALA A 463 15.700 10.105 8.219 1.00 62.32 H new ATOM 0 HA ALA A 463 17.711 11.746 9.464 1.00 60.44 H new ATOM 0 HB1 ALA A 463 16.252 13.587 8.649 1.00 21.23 H new ATOM 0 HB2 ALA A 463 16.566 12.386 7.374 1.00 21.23 H new ATOM 0 HB3 ALA A 463 15.001 12.396 8.220 1.00 21.23 H new ATOM 2388 N MET A 464 14.717 11.549 10.923 1.00 24.10 N ATOM 2389 CA MET A 464 13.942 11.802 12.170 1.00 30.34 C ATOM 2390 C MET A 464 14.539 11.029 13.363 1.00 5.12 C ATOM 2391 O MET A 464 14.560 11.528 14.487 1.00 72.41 O ATOM 2392 CB MET A 464 12.450 11.389 11.976 1.00 54.52 C ATOM 2393 CG MET A 464 11.540 11.564 13.207 1.00 52.40 C ATOM 2394 SD MET A 464 9.889 10.861 12.970 1.00 15.42 S ATOM 2395 CE MET A 464 9.193 11.906 11.689 1.00 62.22 C ATOM 0 H MET A 464 14.167 11.107 10.187 1.00 24.10 H new ATOM 0 HA MET A 464 13.998 12.869 12.384 1.00 30.34 H new ATOM 0 HB2 MET A 464 12.035 11.973 11.155 1.00 54.52 H new ATOM 0 HB3 MET A 464 12.419 10.343 11.671 1.00 54.52 H new ATOM 0 HG2 MET A 464 12.010 11.092 14.070 1.00 52.40 H new ATOM 0 HG3 MET A 464 11.448 12.626 13.436 1.00 52.40 H new ATOM 0 HE1 MET A 464 8.247 12.324 12.034 1.00 62.22 H new ATOM 0 HE2 MET A 464 9.887 12.716 11.463 1.00 62.22 H new ATOM 0 HE3 MET A 464 9.021 11.314 10.790 1.00 62.22 H new ATOM 2405 N ASN A 465 15.051 9.821 13.079 1.00 30.12 N ATOM 2406 CA ASN A 465 15.680 8.951 14.087 1.00 54.21 C ATOM 2407 C ASN A 465 17.098 9.484 14.393 1.00 71.02 C ATOM 2408 O ASN A 465 17.366 9.928 15.516 1.00 13.05 O ATOM 2409 CB ASN A 465 15.707 7.477 13.578 1.00 43.13 C ATOM 2410 CG ASN A 465 16.096 6.432 14.630 1.00 75.20 C ATOM 2411 OD1 ASN A 465 16.806 6.709 15.596 1.00 43.43 O ATOM 2412 ND2 ASN A 465 15.663 5.201 14.420 1.00 65.54 N ATOM 0 H ASN A 465 15.041 9.419 12.142 1.00 30.12 H new ATOM 0 HA ASN A 465 15.103 8.962 15.011 1.00 54.21 H new ATOM 0 HB2 ASN A 465 14.721 7.226 13.187 1.00 43.13 H new ATOM 0 HB3 ASN A 465 16.407 7.409 12.745 1.00 43.13 H new ATOM 0 HD21 ASN A 465 15.916 4.454 15.067 1.00 65.54 H new ATOM 0 HD22 ASN A 465 15.075 4.998 13.611 1.00 65.54 H new ATOM 2419 N LYS A 466 17.994 9.462 13.377 1.00 71.14 N ATOM 2420 CA LYS A 466 19.380 9.965 13.513 1.00 15.45 C ATOM 2421 C LYS A 466 19.700 11.073 12.473 1.00 42.13 C ATOM 2422 O LYS A 466 20.282 10.816 11.412 1.00 24.43 O ATOM 2423 CB LYS A 466 20.421 8.790 13.471 1.00 12.33 C ATOM 2424 CG LYS A 466 20.366 7.845 12.233 1.00 33.12 C ATOM 2425 CD LYS A 466 19.277 6.746 12.314 1.00 45.44 C ATOM 2426 CE LYS A 466 19.538 5.725 13.437 1.00 63.35 C ATOM 2427 NZ LYS A 466 20.829 5.008 13.260 1.00 55.55 N ATOM 0 H LYS A 466 17.778 9.098 12.449 1.00 71.14 H new ATOM 0 HA LYS A 466 19.464 10.431 14.495 1.00 15.45 H new ATOM 0 HB2 LYS A 466 21.421 9.220 13.525 1.00 12.33 H new ATOM 0 HB3 LYS A 466 20.285 8.184 14.367 1.00 12.33 H new ATOM 0 HG2 LYS A 466 20.193 8.446 11.340 1.00 33.12 H new ATOM 0 HG3 LYS A 466 21.338 7.368 12.112 1.00 33.12 H new ATOM 0 HD2 LYS A 466 18.306 7.215 12.475 1.00 45.44 H new ATOM 0 HD3 LYS A 466 19.224 6.223 11.359 1.00 45.44 H new ATOM 0 HE2 LYS A 466 19.539 6.238 14.399 1.00 63.35 H new ATOM 0 HE3 LYS A 466 18.724 5.001 13.463 1.00 63.35 H new ATOM 0 HZ1 LYS A 466 20.891 4.230 13.947 1.00 55.55 H new ATOM 0 HZ2 LYS A 466 20.883 4.623 12.295 1.00 55.55 H new ATOM 0 HZ3 LYS A 466 21.617 5.669 13.413 1.00 55.55 H new ATOM 2441 N SER A 467 19.222 12.299 12.757 1.00 25.41 N ATOM 2442 CA SER A 467 19.725 13.532 12.112 1.00 41.31 C ATOM 2443 C SER A 467 21.280 13.625 12.219 1.00 13.13 C ATOM 2444 O SER A 467 21.799 13.708 13.354 1.00 52.11 O ATOM 2445 CB SER A 467 19.059 14.780 12.757 1.00 55.13 C ATOM 2446 OG SER A 467 17.647 14.697 12.712 1.00 25.42 O ATOM 2447 OXT SER A 467 21.966 13.605 11.178 1.00 37.29 O ATOM 0 H SER A 467 18.480 12.465 13.436 1.00 25.41 H new ATOM 0 HA SER A 467 19.463 13.499 11.054 1.00 41.31 H new ATOM 0 HB2 SER A 467 19.386 14.874 13.793 1.00 55.13 H new ATOM 0 HB3 SER A 467 19.388 15.679 12.236 1.00 55.13 H new ATOM 0 HG SER A 467 17.382 13.865 12.266 1.00 25.42 H new