USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1234 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 48 MET CE :methyl -137:sc= -0.69 (180deg=-5.35!) USER MOD Set 1.2: A 52 THR OG1 : rot 120:sc= 0.184 USER MOD Set 1.3: A 460 GLN : amide:sc= 0.0939 K(o=-1.3,f=-2.5) USER MOD Set 1.4: A 464 MET CE :methyl -160:sc= -0.841 (180deg=-0.774) USER MOD Set 2.1: A 439 GLN :FLIP amide:sc= -0.166 X(o=-0.17,f=-0.17) USER MOD Set 2.2: A 442 GLN :FLIP amide:sc=-0.00406 F(o=-1,f=-0.17) USER MOD Set 3.1: A 79 LYS NZ :NH3+ -179:sc= 0.988 (180deg=-0.0121) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.862 K(o=1.8,f=-2.5) USER MOD Set 4.1: A 18 SER OG : rot -25:sc= 0.872 USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.273 F(o=-0.91,f=1.1) USER MOD Set 5.1: A 40 TYR OH : rot -3:sc= 0.563 USER MOD Set 5.2: A 71 THR OG1 : rot -140:sc= 0.922 USER MOD Set 6.1: A 3 SER OG : rot 180:sc= -0.0566 USER MOD Set 6.2: A 50 LYS NZ :NH3+ 149:sc= 0.0775 (180deg=-0.628) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc=0.000584 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.26) USER MOD Single : A 12 GLN : amide:sc= 0.103 K(o=0.1,f=-1.5) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 0.635 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.0067) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 39 SER OG : rot -7:sc= 0.169 USER MOD Single : A 42 GLN : amide:sc= -0.333 X(o=-0.33,f=0) USER MOD Single : A 43 SER OG : rot 81:sc= 0.724 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.036 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 165:sc= -2.52! (180deg=-3.14!) 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= -0.852 F(o=-2.4!,f=-0.85) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.329 X(o=-0.33,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 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.52) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 428 SER OG : rot 180:sc= 0 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+ 172:sc= -0.03 (180deg=-0.133) USER MOD Single : A 441 THR OG1 : rot 80:sc= 1.03 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -122:sc= -0.357 (180deg=-2.67!) USER MOD Single : A 447 MET CE :methyl -141:sc= -2.05 (180deg=-4.9!) USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 LYS NZ :NH3+ -152:sc= -2.24! (180deg=-4.21!) USER MOD Single : A 452 ASN :FLIP amide:sc=-0.00124 F(o=-1,f=-0.0012) USER MOD Single : A 453 THR OG1 : rot 148:sc= -1.12 USER MOD Single : A 454 SER OG : rot -87:sc= 0.727 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 462 THR OG1 : rot 71:sc= 0.766 USER MOD Single : A 465 ASN : amide:sc= 0.234 K(o=0.23,f=-0.84) USER MOD Single : A 466 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0401) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.000 22.544 19.601 1.00 15.11 N ATOM 2 CA MET A 1 -0.046 21.875 18.687 1.00 20.45 C ATOM 3 C MET A 1 -0.817 21.003 17.672 1.00 62.21 C ATOM 4 O MET A 1 -0.751 19.773 17.702 1.00 60.31 O ATOM 5 CB MET A 1 1.017 21.061 19.498 1.00 11.24 C ATOM 6 CG MET A 1 0.469 19.966 20.441 1.00 32.11 C ATOM 7 SD MET A 1 1.776 18.878 21.061 1.00 13.12 S ATOM 8 CE MET A 1 0.854 17.678 22.020 1.00 12.32 C ATOM 0 H1 MET A 1 -0.476 23.130 20.282 1.00 15.11 H new ATOM 0 H2 MET A 1 -1.644 23.147 19.050 1.00 15.11 H new ATOM 0 H3 MET A 1 -1.551 21.826 20.114 1.00 15.11 H new ATOM 0 HA MET A 1 0.505 22.626 18.120 1.00 20.45 H new ATOM 0 HB2 MET A 1 1.701 20.592 18.791 1.00 11.24 H new ATOM 0 HB3 MET A 1 1.604 21.762 20.092 1.00 11.24 H new ATOM 0 HG2 MET A 1 -0.040 20.436 21.283 1.00 32.11 H new ATOM 0 HG3 MET A 1 -0.275 19.371 19.911 1.00 32.11 H new ATOM 0 HE1 MET A 1 1.542 16.953 22.454 1.00 12.32 H new ATOM 0 HE2 MET A 1 0.313 18.188 22.817 1.00 12.32 H new ATOM 0 HE3 MET A 1 0.145 17.162 21.373 1.00 12.32 H new ATOM 20 N THR A 2 -1.548 21.675 16.763 1.00 61.33 N ATOM 21 CA THR A 2 -2.502 21.027 15.837 1.00 70.32 C ATOM 22 C THR A 2 -1.811 19.994 14.910 1.00 42.20 C ATOM 23 O THR A 2 -2.172 18.807 14.915 1.00 44.22 O ATOM 24 CB THR A 2 -3.257 22.115 15.001 1.00 64.33 C ATOM 25 OG1 THR A 2 -2.302 23.010 14.397 1.00 13.41 O ATOM 26 CG2 THR A 2 -4.239 22.932 15.868 1.00 13.54 C ATOM 0 H THR A 2 -1.495 22.687 16.648 1.00 61.33 H new ATOM 0 HA THR A 2 -3.224 20.473 16.437 1.00 70.32 H new ATOM 0 HB THR A 2 -3.834 21.598 14.234 1.00 64.33 H new ATOM 0 HG1 THR A 2 -2.776 23.689 13.873 1.00 13.41 H new ATOM 0 HG21 THR A 2 -4.741 23.675 15.248 1.00 13.54 H new ATOM 0 HG22 THR A 2 -4.981 22.264 16.305 1.00 13.54 H new ATOM 0 HG23 THR A 2 -3.690 23.435 16.664 1.00 13.54 H new ATOM 34 N SER A 3 -0.798 20.459 14.160 1.00 44.32 N ATOM 35 CA SER A 3 0.010 19.621 13.249 1.00 61.32 C ATOM 36 C SER A 3 0.739 18.474 13.996 1.00 11.23 C ATOM 37 O SER A 3 0.897 17.370 13.459 1.00 32.12 O ATOM 38 CB SER A 3 1.022 20.510 12.494 1.00 61.24 C ATOM 39 OG SER A 3 0.349 21.522 11.755 1.00 43.00 O ATOM 0 H SER A 3 -0.511 21.438 14.167 1.00 44.32 H new ATOM 0 HA SER A 3 -0.667 19.150 12.537 1.00 61.32 H new ATOM 0 HB2 SER A 3 1.711 20.968 13.203 1.00 61.24 H new ATOM 0 HB3 SER A 3 1.620 19.897 11.820 1.00 61.24 H new ATOM 0 HG SER A 3 1.007 22.076 11.285 1.00 43.00 H new ATOM 45 N THR A 4 1.141 18.746 15.242 1.00 71.11 N ATOM 46 CA THR A 4 1.904 17.803 16.075 1.00 41.43 C ATOM 47 C THR A 4 1.011 16.659 16.618 1.00 73.44 C ATOM 48 O THR A 4 1.425 15.496 16.624 1.00 73.20 O ATOM 49 CB THR A 4 2.579 18.578 17.247 1.00 61.44 C ATOM 50 OG1 THR A 4 3.346 19.669 16.712 1.00 14.53 O ATOM 51 CG2 THR A 4 3.493 17.694 18.113 1.00 72.33 C ATOM 0 H THR A 4 0.946 19.633 15.707 1.00 71.11 H new ATOM 0 HA THR A 4 2.671 17.340 15.454 1.00 41.43 H new ATOM 0 HB THR A 4 1.779 18.938 17.893 1.00 61.44 H new ATOM 0 HG1 THR A 4 3.771 20.161 17.445 1.00 14.53 H new ATOM 0 HG21 THR A 4 3.931 18.295 18.910 1.00 72.33 H new ATOM 0 HG22 THR A 4 2.909 16.884 18.549 1.00 72.33 H new ATOM 0 HG23 THR A 4 4.288 17.277 17.495 1.00 72.33 H new ATOM 59 N VAL A 5 -0.218 16.995 17.058 1.00 60.34 N ATOM 60 CA VAL A 5 -1.134 16.011 17.672 1.00 25.30 C ATOM 61 C VAL A 5 -1.736 15.078 16.594 1.00 45.04 C ATOM 62 O VAL A 5 -1.856 13.869 16.821 1.00 13.31 O ATOM 63 CB VAL A 5 -2.261 16.699 18.546 1.00 11.43 C ATOM 64 CG1 VAL A 5 -3.215 17.578 17.707 1.00 3.01 C ATOM 65 CG2 VAL A 5 -3.047 15.655 19.383 1.00 12.21 C ATOM 0 H VAL A 5 -0.600 17.939 17.000 1.00 60.34 H new ATOM 0 HA VAL A 5 -0.545 15.402 18.358 1.00 25.30 H new ATOM 0 HB VAL A 5 -1.748 17.368 19.237 1.00 11.43 H new ATOM 0 HG11 VAL A 5 -3.967 18.024 18.359 1.00 3.01 H new ATOM 0 HG12 VAL A 5 -2.646 18.368 17.217 1.00 3.01 H new ATOM 0 HG13 VAL A 5 -3.707 16.964 16.953 1.00 3.01 H new ATOM 0 HG21 VAL A 5 -3.812 16.162 19.971 1.00 12.21 H new ATOM 0 HG22 VAL A 5 -3.520 14.935 18.715 1.00 12.21 H new ATOM 0 HG23 VAL A 5 -2.362 15.134 20.052 1.00 12.21 H new ATOM 75 N GLU A 6 -2.063 15.637 15.401 1.00 24.11 N ATOM 76 CA GLU A 6 -2.561 14.834 14.257 1.00 71.30 C ATOM 77 C GLU A 6 -1.448 13.897 13.743 1.00 24.20 C ATOM 78 O GLU A 6 -1.714 12.762 13.358 1.00 0.53 O ATOM 79 CB GLU A 6 -3.086 15.756 13.118 1.00 42.11 C ATOM 80 CG GLU A 6 -2.017 16.668 12.486 1.00 13.11 C ATOM 81 CD GLU A 6 -2.552 17.690 11.469 1.00 30.25 C ATOM 82 OE1 GLU A 6 -3.165 18.694 11.891 1.00 74.20 O ATOM 83 OE2 GLU A 6 -2.337 17.524 10.245 1.00 71.55 O ATOM 0 H GLU A 6 -1.991 16.636 15.208 1.00 24.11 H new ATOM 0 HA GLU A 6 -3.397 14.223 14.598 1.00 71.30 H new ATOM 0 HB2 GLU A 6 -3.522 15.134 12.336 1.00 42.11 H new ATOM 0 HB3 GLU A 6 -3.888 16.379 13.514 1.00 42.11 H new ATOM 0 HG2 GLU A 6 -1.503 17.206 13.283 1.00 13.11 H new ATOM 0 HG3 GLU A 6 -1.273 16.042 11.993 1.00 13.11 H new ATOM 90 N PHE A 7 -0.200 14.404 13.759 1.00 73.14 N ATOM 91 CA PHE A 7 1.011 13.630 13.436 1.00 15.51 C ATOM 92 C PHE A 7 1.097 12.345 14.303 1.00 54.13 C ATOM 93 O PHE A 7 1.206 11.241 13.761 1.00 24.11 O ATOM 94 CB PHE A 7 2.228 14.564 13.644 1.00 23.50 C ATOM 95 CG PHE A 7 3.608 13.947 13.503 1.00 24.44 C ATOM 96 CD1 PHE A 7 4.216 13.814 12.256 1.00 40.15 C ATOM 97 CD2 PHE A 7 4.321 13.542 14.630 1.00 20.41 C ATOM 98 CE1 PHE A 7 5.489 13.293 12.153 1.00 5.40 C ATOM 99 CE2 PHE A 7 5.587 13.023 14.515 1.00 54.13 C ATOM 100 CZ PHE A 7 6.168 12.900 13.279 1.00 22.10 C ATOM 0 H PHE A 7 -0.004 15.376 14.000 1.00 73.14 H new ATOM 0 HA PHE A 7 0.989 13.288 12.401 1.00 15.51 H new ATOM 0 HB2 PHE A 7 2.150 15.384 12.930 1.00 23.50 H new ATOM 0 HB3 PHE A 7 2.153 15.000 14.640 1.00 23.50 H new ATOM 0 HD1 PHE A 7 3.688 14.121 11.365 1.00 40.15 H new ATOM 0 HD2 PHE A 7 3.871 13.638 15.607 1.00 20.41 H new ATOM 0 HE1 PHE A 7 5.953 13.194 11.183 1.00 5.40 H new ATOM 0 HE2 PHE A 7 6.125 12.712 15.398 1.00 54.13 H new ATOM 0 HZ PHE A 7 7.164 12.492 13.191 1.00 22.10 H new ATOM 110 N ILE A 8 0.988 12.514 15.640 1.00 72.11 N ATOM 111 CA ILE A 8 1.016 11.399 16.622 1.00 24.24 C ATOM 112 C ILE A 8 -0.069 10.337 16.310 1.00 73.31 C ATOM 113 O ILE A 8 0.236 9.156 16.077 1.00 60.21 O ATOM 114 CB ILE A 8 0.773 11.938 18.089 1.00 0.44 C ATOM 115 CG1 ILE A 8 1.867 12.963 18.513 1.00 30.31 C ATOM 116 CG2 ILE A 8 0.687 10.778 19.110 1.00 54.21 C ATOM 117 CD1 ILE A 8 1.580 13.693 19.821 1.00 35.03 C ATOM 0 H ILE A 8 0.878 13.431 16.073 1.00 72.11 H new ATOM 0 HA ILE A 8 2.002 10.940 16.548 1.00 24.24 H new ATOM 0 HB ILE A 8 -0.186 12.456 18.084 1.00 0.44 H new ATOM 0 HG12 ILE A 8 2.819 12.441 18.605 1.00 30.31 H new ATOM 0 HG13 ILE A 8 1.983 13.700 17.719 1.00 30.31 H new ATOM 0 HG21 ILE A 8 0.520 11.183 20.108 1.00 54.21 H new ATOM 0 HG22 ILE A 8 -0.139 10.119 18.843 1.00 54.21 H new ATOM 0 HG23 ILE A 8 1.620 10.214 19.099 1.00 54.21 H new ATOM 0 HD11 ILE A 8 2.394 14.385 20.037 1.00 35.03 H new ATOM 0 HD12 ILE A 8 0.646 14.247 19.731 1.00 35.03 H new ATOM 0 HD13 ILE A 8 1.495 12.969 20.631 1.00 35.03 H new ATOM 129 N ASN A 9 -1.327 10.806 16.305 1.00 72.04 N ATOM 130 CA ASN A 9 -2.536 9.952 16.239 1.00 32.24 C ATOM 131 C ASN A 9 -2.606 9.142 14.937 1.00 63.33 C ATOM 132 O ASN A 9 -2.957 7.953 14.946 1.00 50.11 O ATOM 133 CB ASN A 9 -3.807 10.828 16.371 1.00 53.31 C ATOM 134 CG ASN A 9 -3.863 11.640 17.667 1.00 32.22 C ATOM 135 OD1 ASN A 9 -3.338 11.234 18.706 1.00 22.41 O ATOM 136 ND2 ASN A 9 -4.500 12.799 17.613 1.00 2.04 N ATOM 0 H ASN A 9 -1.542 11.802 16.347 1.00 72.04 H new ATOM 0 HA ASN A 9 -2.478 9.245 17.066 1.00 32.24 H new ATOM 0 HB2 ASN A 9 -3.857 11.511 15.523 1.00 53.31 H new ATOM 0 HB3 ASN A 9 -4.687 10.187 16.316 1.00 53.31 H new ATOM 0 HD21 ASN A 9 -4.567 13.384 18.446 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -4.924 13.108 16.738 1.00 2.04 H new ATOM 143 N ARG A 10 -2.270 9.800 13.818 1.00 52.11 N ATOM 144 CA ARG A 10 -2.357 9.185 12.487 1.00 63.11 C ATOM 145 C ARG A 10 -1.188 8.231 12.252 1.00 74.31 C ATOM 146 O ARG A 10 -1.372 7.243 11.574 1.00 74.11 O ATOM 147 CB ARG A 10 -2.434 10.252 11.377 1.00 31.05 C ATOM 148 CG ARG A 10 -3.662 11.179 11.497 1.00 74.02 C ATOM 149 CD ARG A 10 -3.665 12.292 10.448 1.00 12.02 C ATOM 150 NE ARG A 10 -2.419 13.079 10.464 1.00 12.25 N ATOM 151 CZ ARG A 10 -2.246 14.266 9.870 1.00 12.22 C ATOM 152 NH1 ARG A 10 -3.234 14.866 9.208 1.00 65.30 N ATOM 153 NH2 ARG A 10 -1.068 14.868 9.939 1.00 72.50 N ATOM 0 H ARG A 10 -1.934 10.763 13.810 1.00 52.11 H new ATOM 0 HA ARG A 10 -3.280 8.606 12.449 1.00 63.11 H new ATOM 0 HB2 ARG A 10 -1.528 10.857 11.403 1.00 31.05 H new ATOM 0 HB3 ARG A 10 -2.458 9.755 10.407 1.00 31.05 H new ATOM 0 HG2 ARG A 10 -4.571 10.586 11.395 1.00 74.02 H new ATOM 0 HG3 ARG A 10 -3.681 11.623 12.492 1.00 74.02 H new ATOM 0 HD2 ARG A 10 -3.804 11.856 9.459 1.00 12.02 H new ATOM 0 HD3 ARG A 10 -4.513 12.954 10.626 1.00 12.02 H new ATOM 0 HE ARG A 10 -1.624 12.687 10.969 1.00 12.25 H new ATOM 0 HH11 ARG A 10 -4.150 14.421 9.145 1.00 65.30 H new ATOM 0 HH12 ARG A 10 -3.075 15.771 8.764 1.00 65.30 H new ATOM 0 HH21 ARG A 10 -0.299 14.427 10.443 1.00 72.50 H new ATOM 0 HH22 ARG A 10 -0.930 15.773 9.488 1.00 72.50 H new ATOM 167 N TRP A 11 0.004 8.517 12.827 1.00 53.12 N ATOM 168 CA TRP A 11 1.151 7.572 12.768 1.00 51.42 C ATOM 169 C TRP A 11 0.827 6.282 13.532 1.00 60.55 C ATOM 170 O TRP A 11 1.178 5.179 13.078 1.00 52.51 O ATOM 171 CB TRP A 11 2.476 8.207 13.293 1.00 33.21 C ATOM 172 CG TRP A 11 3.282 8.896 12.213 1.00 72.13 C ATOM 173 CD1 TRP A 11 3.629 10.212 12.141 1.00 23.25 C ATOM 174 CD2 TRP A 11 3.824 8.279 11.037 1.00 14.45 C ATOM 175 NE1 TRP A 11 4.355 10.452 11.004 1.00 20.35 N ATOM 176 CE2 TRP A 11 4.483 9.280 10.305 1.00 33.02 C ATOM 177 CE3 TRP A 11 3.818 6.971 10.535 1.00 55.32 C ATOM 178 CZ2 TRP A 11 5.123 9.016 9.100 1.00 12.21 C ATOM 179 CZ3 TRP A 11 4.447 6.713 9.337 1.00 21.00 C ATOM 180 CH2 TRP A 11 5.091 7.731 8.630 1.00 72.40 C ATOM 0 H TRP A 11 0.198 9.382 13.331 1.00 53.12 H new ATOM 0 HA TRP A 11 1.311 7.330 11.717 1.00 51.42 H new ATOM 0 HB2 TRP A 11 2.239 8.928 14.075 1.00 33.21 H new ATOM 0 HB3 TRP A 11 3.087 7.429 13.751 1.00 33.21 H new ATOM 0 HD1 TRP A 11 3.369 10.960 12.876 1.00 23.25 H new ATOM 0 HE1 TRP A 11 4.738 11.355 10.724 1.00 20.35 H new ATOM 0 HE3 TRP A 11 3.328 6.177 11.079 1.00 55.32 H new ATOM 0 HZ2 TRP A 11 5.628 9.798 8.553 1.00 12.21 H new ATOM 0 HZ3 TRP A 11 4.442 5.709 8.939 1.00 21.00 H new ATOM 0 HH2 TRP A 11 5.574 7.499 7.692 1.00 72.40 H new ATOM 191 N GLN A 12 0.152 6.440 14.690 1.00 55.24 N ATOM 192 CA GLN A 12 -0.407 5.314 15.454 1.00 72.30 C ATOM 193 C GLN A 12 -1.299 4.467 14.533 1.00 43.41 C ATOM 194 O GLN A 12 -1.126 3.253 14.441 1.00 0.51 O ATOM 195 CB GLN A 12 -1.207 5.834 16.682 1.00 41.33 C ATOM 196 CG GLN A 12 -1.900 4.740 17.520 1.00 52.12 C ATOM 197 CD GLN A 12 -2.739 5.283 18.684 1.00 45.42 C ATOM 198 OE1 GLN A 12 -3.280 6.389 18.620 1.00 43.43 O ATOM 199 NE2 GLN A 12 -2.881 4.497 19.740 1.00 61.51 N ATOM 0 H GLN A 12 -0.018 7.350 15.117 1.00 55.24 H new ATOM 0 HA GLN A 12 0.405 4.691 15.828 1.00 72.30 H new ATOM 0 HB2 GLN A 12 -0.529 6.391 17.329 1.00 41.33 H new ATOM 0 HB3 GLN A 12 -1.964 6.537 16.333 1.00 41.33 H new ATOM 0 HG2 GLN A 12 -2.543 4.149 16.867 1.00 52.12 H new ATOM 0 HG3 GLN A 12 -1.141 4.065 17.916 1.00 52.12 H new ATOM 0 HE21 GLN A 12 -2.421 3.587 19.764 1.00 61.51 H new ATOM 0 HE22 GLN A 12 -3.450 4.802 20.530 1.00 61.51 H new ATOM 208 N ARG A 13 -2.201 5.148 13.797 1.00 4.34 N ATOM 209 CA ARG A 13 -3.108 4.494 12.841 1.00 64.54 C ATOM 210 C ARG A 13 -2.345 3.822 11.681 1.00 54.35 C ATOM 211 O ARG A 13 -2.696 2.730 11.306 1.00 71.33 O ATOM 212 CB ARG A 13 -4.154 5.494 12.283 1.00 3.25 C ATOM 213 CG ARG A 13 -5.149 6.041 13.328 1.00 33.10 C ATOM 214 CD ARG A 13 -5.944 4.928 14.043 1.00 53.32 C ATOM 215 NE ARG A 13 -6.938 5.460 14.989 1.00 41.22 N ATOM 216 CZ ARG A 13 -6.669 5.983 16.201 1.00 13.12 C ATOM 217 NH1 ARG A 13 -5.418 6.068 16.657 1.00 62.32 N ATOM 218 NH2 ARG A 13 -7.666 6.400 16.959 1.00 35.35 N ATOM 0 H ARG A 13 -2.318 6.160 13.850 1.00 4.34 H new ATOM 0 HA ARG A 13 -3.630 3.713 13.393 1.00 64.54 H new ATOM 0 HB2 ARG A 13 -3.627 6.334 11.829 1.00 3.25 H new ATOM 0 HB3 ARG A 13 -4.716 5.004 11.488 1.00 3.25 H new ATOM 0 HG2 ARG A 13 -4.604 6.625 14.070 1.00 33.10 H new ATOM 0 HG3 ARG A 13 -5.846 6.720 12.837 1.00 33.10 H new ATOM 0 HD2 ARG A 13 -6.449 4.312 13.299 1.00 53.32 H new ATOM 0 HD3 ARG A 13 -5.251 4.278 14.577 1.00 53.32 H new ATOM 0 HE ARG A 13 -7.916 5.430 14.702 1.00 41.22 H new ATOM 0 HH11 ARG A 13 -4.643 5.733 16.085 1.00 62.32 H new ATOM 0 HH12 ARG A 13 -5.237 6.468 17.578 1.00 62.32 H new ATOM 0 HH21 ARG A 13 -8.627 6.324 16.625 1.00 35.35 H new ATOM 0 HH22 ARG A 13 -7.476 6.798 17.879 1.00 35.35 H new ATOM 232 N ILE A 14 -1.290 4.470 11.147 1.00 41.11 N ATOM 233 CA ILE A 14 -0.532 3.961 9.972 1.00 54.25 C ATOM 234 C ILE A 14 0.107 2.589 10.297 1.00 12.31 C ATOM 235 O ILE A 14 0.046 1.663 9.486 1.00 61.42 O ATOM 236 CB ILE A 14 0.560 5.010 9.494 1.00 21.31 C ATOM 237 CG1 ILE A 14 -0.118 6.302 8.941 1.00 42.23 C ATOM 238 CG2 ILE A 14 1.514 4.424 8.429 1.00 42.21 C ATOM 239 CD1 ILE A 14 0.828 7.460 8.646 1.00 61.42 C ATOM 0 H ILE A 14 -0.937 5.355 11.510 1.00 41.11 H new ATOM 0 HA ILE A 14 -1.230 3.823 9.147 1.00 54.25 H new ATOM 0 HB ILE A 14 1.156 5.260 10.371 1.00 21.31 H new ATOM 0 HG12 ILE A 14 -0.652 6.049 8.025 1.00 42.23 H new ATOM 0 HG13 ILE A 14 -0.863 6.638 9.662 1.00 42.23 H new ATOM 0 HG21 ILE A 14 2.241 5.181 8.136 1.00 42.21 H new ATOM 0 HG22 ILE A 14 2.035 3.561 8.843 1.00 42.21 H new ATOM 0 HG23 ILE A 14 0.939 4.116 7.556 1.00 42.21 H new ATOM 0 HD11 ILE A 14 0.258 8.308 8.267 1.00 61.42 H new ATOM 0 HD12 ILE A 14 1.345 7.750 9.561 1.00 61.42 H new ATOM 0 HD13 ILE A 14 1.559 7.151 7.899 1.00 61.42 H new ATOM 251 N ALA A 15 0.649 2.465 11.522 1.00 61.42 N ATOM 252 CA ALA A 15 1.272 1.216 12.007 1.00 64.43 C ATOM 253 C ALA A 15 0.220 0.115 12.299 1.00 60.43 C ATOM 254 O ALA A 15 0.429 -1.068 11.973 1.00 11.32 O ATOM 255 CB ALA A 15 2.103 1.513 13.255 1.00 3.43 C ATOM 0 H ALA A 15 0.669 3.224 12.203 1.00 61.42 H new ATOM 0 HA ALA A 15 1.920 0.832 11.219 1.00 64.43 H new ATOM 0 HB1 ALA A 15 2.563 0.592 13.614 1.00 3.43 H new ATOM 0 HB2 ALA A 15 2.881 2.236 13.010 1.00 3.43 H new ATOM 0 HB3 ALA A 15 1.458 1.923 14.032 1.00 3.43 H new ATOM 261 N LEU A 16 -0.908 0.520 12.923 1.00 13.33 N ATOM 262 CA LEU A 16 -2.021 -0.398 13.255 1.00 40.51 C ATOM 263 C LEU A 16 -2.673 -0.957 11.971 1.00 63.03 C ATOM 264 O LEU A 16 -2.965 -2.155 11.877 1.00 31.12 O ATOM 265 CB LEU A 16 -3.092 0.326 14.131 1.00 64.40 C ATOM 266 CG LEU A 16 -2.640 0.778 15.559 1.00 42.41 C ATOM 267 CD1 LEU A 16 -3.764 1.552 16.286 1.00 35.34 C ATOM 268 CD2 LEU A 16 -2.151 -0.417 16.403 1.00 40.21 C ATOM 0 H LEU A 16 -1.073 1.485 13.209 1.00 13.33 H new ATOM 0 HA LEU A 16 -1.610 -1.231 13.826 1.00 40.51 H new ATOM 0 HB2 LEU A 16 -3.437 1.206 13.589 1.00 64.40 H new ATOM 0 HB3 LEU A 16 -3.949 -0.338 14.239 1.00 64.40 H new ATOM 0 HG LEU A 16 -1.797 1.457 15.433 1.00 42.41 H new ATOM 0 HD11 LEU A 16 -3.418 1.852 17.275 1.00 35.34 H new ATOM 0 HD12 LEU A 16 -4.027 2.439 15.709 1.00 35.34 H new ATOM 0 HD13 LEU A 16 -4.640 0.912 16.387 1.00 35.34 H new ATOM 0 HD21 LEU A 16 -1.845 -0.066 17.388 1.00 40.21 H new ATOM 0 HD22 LEU A 16 -2.959 -1.141 16.511 1.00 40.21 H new ATOM 0 HD23 LEU A 16 -1.303 -0.890 15.907 1.00 40.21 H new ATOM 280 N LEU A 17 -2.858 -0.066 10.979 1.00 1.25 N ATOM 281 CA LEU A 17 -3.508 -0.388 9.697 1.00 31.04 C ATOM 282 C LEU A 17 -2.610 -1.312 8.874 1.00 44.51 C ATOM 283 O LEU A 17 -3.080 -2.340 8.406 1.00 75.21 O ATOM 284 CB LEU A 17 -3.858 0.907 8.893 1.00 4.53 C ATOM 285 CG LEU A 17 -4.987 1.805 9.504 1.00 31.22 C ATOM 286 CD1 LEU A 17 -5.133 3.138 8.738 1.00 64.22 C ATOM 287 CD2 LEU A 17 -6.325 1.048 9.567 1.00 1.24 C ATOM 0 H LEU A 17 -2.557 0.906 11.047 1.00 1.25 H new ATOM 0 HA LEU A 17 -4.445 -0.903 9.909 1.00 31.04 H new ATOM 0 HB2 LEU A 17 -2.954 1.508 8.797 1.00 4.53 H new ATOM 0 HB3 LEU A 17 -4.156 0.617 7.885 1.00 4.53 H new ATOM 0 HG LEU A 17 -4.693 2.049 10.525 1.00 31.22 H new ATOM 0 HD11 LEU A 17 -5.926 3.733 9.191 1.00 64.22 H new ATOM 0 HD12 LEU A 17 -4.194 3.689 8.784 1.00 64.22 H new ATOM 0 HD13 LEU A 17 -5.383 2.934 7.697 1.00 64.22 H new ATOM 0 HD21 LEU A 17 -7.090 1.696 9.995 1.00 1.24 H new ATOM 0 HD22 LEU A 17 -6.623 0.751 8.561 1.00 1.24 H new ATOM 0 HD23 LEU A 17 -6.212 0.160 10.189 1.00 1.24 H new ATOM 299 N SER A 18 -1.306 -0.957 8.759 1.00 14.43 N ATOM 300 CA SER A 18 -0.315 -1.735 7.980 1.00 21.21 C ATOM 301 C SER A 18 -0.254 -3.196 8.460 1.00 20.33 C ATOM 302 O SER A 18 -0.222 -4.126 7.649 1.00 45.31 O ATOM 303 CB SER A 18 1.082 -1.082 8.073 1.00 70.11 C ATOM 304 OG SER A 18 1.527 -0.978 9.414 1.00 24.42 O ATOM 0 H SER A 18 -0.915 -0.126 9.203 1.00 14.43 H new ATOM 0 HA SER A 18 -0.634 -1.733 6.938 1.00 21.21 H new ATOM 0 HB2 SER A 18 1.797 -1.670 7.498 1.00 70.11 H new ATOM 0 HB3 SER A 18 1.050 -0.090 7.623 1.00 70.11 H new ATOM 0 HG SER A 18 0.753 -0.960 10.015 1.00 24.42 H new ATOM 310 N GLN A 19 -0.269 -3.363 9.797 1.00 12.13 N ATOM 311 CA GLN A 19 -0.345 -4.681 10.455 1.00 61.53 C ATOM 312 C GLN A 19 -1.618 -5.444 10.027 1.00 40.43 C ATOM 313 O GLN A 19 -1.534 -6.578 9.537 1.00 63.21 O ATOM 314 CB GLN A 19 -0.318 -4.480 11.994 1.00 61.32 C ATOM 315 CG GLN A 19 -0.577 -5.750 12.837 1.00 33.45 C ATOM 316 CD GLN A 19 -0.611 -5.497 14.351 1.00 71.11 C ATOM 317 OE1 GLN A 19 -1.072 -4.317 14.770 1.00 24.22 O flip ATOM 318 NE2 GLN A 19 -0.252 -6.369 15.146 1.00 34.11 N flip ATOM 0 H GLN A 19 -0.229 -2.583 10.453 1.00 12.13 H new ATOM 0 HA GLN A 19 0.512 -5.281 10.151 1.00 61.53 H new ATOM 0 HB2 GLN A 19 0.654 -4.072 12.272 1.00 61.32 H new ATOM 0 HB3 GLN A 19 -1.065 -3.731 12.258 1.00 61.32 H new ATOM 0 HG2 GLN A 19 -1.526 -6.190 12.531 1.00 33.45 H new ATOM 0 HG3 GLN A 19 0.199 -6.483 12.619 1.00 33.45 H new ATOM 0 HE21 GLN A 19 0.097 -7.263 14.799 1.00 34.11 H new ATOM 0 HE22 GLN A 19 -0.304 -6.196 16.150 1.00 34.11 H new ATOM 327 N SER A 20 -2.782 -4.783 10.186 1.00 73.34 N ATOM 328 CA SER A 20 -4.101 -5.393 9.936 1.00 65.43 C ATOM 329 C SER A 20 -4.255 -5.868 8.479 1.00 53.23 C ATOM 330 O SER A 20 -4.595 -7.029 8.234 1.00 11.44 O ATOM 331 CB SER A 20 -5.226 -4.401 10.299 1.00 25.53 C ATOM 332 OG SER A 20 -5.186 -4.067 11.676 1.00 75.22 O ATOM 0 H SER A 20 -2.833 -3.811 10.491 1.00 73.34 H new ATOM 0 HA SER A 20 -4.178 -6.274 10.573 1.00 65.43 H new ATOM 0 HB2 SER A 20 -5.125 -3.497 9.699 1.00 25.53 H new ATOM 0 HB3 SER A 20 -6.194 -4.839 10.056 1.00 25.53 H new ATOM 0 HG SER A 20 -4.452 -3.438 11.839 1.00 75.22 H new ATOM 338 N LEU A 21 -3.961 -4.974 7.519 1.00 55.40 N ATOM 339 CA LEU A 21 -4.140 -5.259 6.087 1.00 15.33 C ATOM 340 C LEU A 21 -3.095 -6.257 5.570 1.00 62.22 C ATOM 341 O LEU A 21 -3.357 -6.966 4.604 1.00 52.23 O ATOM 342 CB LEU A 21 -4.187 -3.940 5.253 1.00 63.23 C ATOM 343 CG LEU A 21 -2.996 -2.923 5.380 1.00 44.23 C ATOM 344 CD1 LEU A 21 -1.740 -3.370 4.628 1.00 41.33 C ATOM 345 CD2 LEU A 21 -3.417 -1.503 4.942 1.00 65.33 C ATOM 0 H LEU A 21 -3.596 -4.042 7.713 1.00 55.40 H new ATOM 0 HA LEU A 21 -5.107 -5.745 5.959 1.00 15.33 H new ATOM 0 HB2 LEU A 21 -4.275 -4.216 4.202 1.00 63.23 H new ATOM 0 HB3 LEU A 21 -5.102 -3.412 5.521 1.00 63.23 H new ATOM 0 HG LEU A 21 -2.736 -2.898 6.438 1.00 44.23 H new ATOM 0 HD11 LEU A 21 -0.955 -2.625 4.755 1.00 41.33 H new ATOM 0 HD12 LEU A 21 -1.400 -4.327 5.024 1.00 41.33 H new ATOM 0 HD13 LEU A 21 -1.970 -3.477 3.568 1.00 41.33 H new ATOM 0 HD21 LEU A 21 -2.569 -0.825 5.042 1.00 65.33 H new ATOM 0 HD22 LEU A 21 -3.743 -1.525 3.902 1.00 65.33 H new ATOM 0 HD23 LEU A 21 -4.236 -1.156 5.572 1.00 65.33 H new ATOM 357 N LEU A 22 -1.914 -6.304 6.226 1.00 33.33 N ATOM 358 CA LEU A 22 -0.885 -7.318 5.924 1.00 5.24 C ATOM 359 C LEU A 22 -1.424 -8.724 6.228 1.00 73.03 C ATOM 360 O LEU A 22 -1.225 -9.661 5.440 1.00 33.40 O ATOM 361 CB LEU A 22 0.402 -7.072 6.742 1.00 3.12 C ATOM 362 CG LEU A 22 1.554 -8.096 6.507 1.00 64.53 C ATOM 363 CD1 LEU A 22 2.101 -8.010 5.067 1.00 43.20 C ATOM 364 CD2 LEU A 22 2.665 -7.912 7.548 1.00 33.42 C ATOM 0 H LEU A 22 -1.652 -5.652 6.966 1.00 33.33 H new ATOM 0 HA LEU A 22 -0.641 -7.240 4.865 1.00 5.24 H new ATOM 0 HB2 LEU A 22 0.774 -6.074 6.510 1.00 3.12 H new ATOM 0 HB3 LEU A 22 0.145 -7.078 7.801 1.00 3.12 H new ATOM 0 HG LEU A 22 1.144 -9.098 6.632 1.00 64.53 H new ATOM 0 HD11 LEU A 22 2.903 -8.737 4.938 1.00 43.20 H new ATOM 0 HD12 LEU A 22 1.300 -8.224 4.360 1.00 43.20 H new ATOM 0 HD13 LEU A 22 2.488 -7.008 4.884 1.00 43.20 H new ATOM 0 HD21 LEU A 22 3.458 -8.637 7.365 1.00 33.42 H new ATOM 0 HD22 LEU A 22 3.071 -6.903 7.473 1.00 33.42 H new ATOM 0 HD23 LEU A 22 2.257 -8.065 8.547 1.00 33.42 H new ATOM 376 N GLU A 23 -2.112 -8.843 7.385 1.00 52.45 N ATOM 377 CA GLU A 23 -2.813 -10.076 7.778 1.00 22.41 C ATOM 378 C GLU A 23 -3.863 -10.442 6.712 1.00 31.53 C ATOM 379 O GLU A 23 -3.913 -11.576 6.264 1.00 64.35 O ATOM 380 CB GLU A 23 -3.474 -9.916 9.175 1.00 52.41 C ATOM 381 CG GLU A 23 -2.478 -9.657 10.328 1.00 21.01 C ATOM 382 CD GLU A 23 -3.168 -9.384 11.680 1.00 4.41 C ATOM 383 OE1 GLU A 23 -3.403 -10.344 12.451 1.00 62.14 O ATOM 384 OE2 GLU A 23 -3.484 -8.208 11.979 1.00 32.30 O ATOM 0 H GLU A 23 -2.194 -8.089 8.067 1.00 52.45 H new ATOM 0 HA GLU A 23 -2.087 -10.886 7.847 1.00 22.41 H new ATOM 0 HB2 GLU A 23 -4.186 -9.091 9.134 1.00 52.41 H new ATOM 0 HB3 GLU A 23 -4.044 -10.818 9.399 1.00 52.41 H new ATOM 0 HG2 GLU A 23 -1.820 -10.520 10.431 1.00 21.01 H new ATOM 0 HG3 GLU A 23 -1.848 -8.805 10.071 1.00 21.01 H new ATOM 391 N LEU A 24 -4.631 -9.438 6.260 1.00 63.03 N ATOM 392 CA LEU A 24 -5.710 -9.615 5.257 1.00 11.41 C ATOM 393 C LEU A 24 -5.151 -10.010 3.866 1.00 22.33 C ATOM 394 O LEU A 24 -5.807 -10.735 3.107 1.00 63.41 O ATOM 395 CB LEU A 24 -6.556 -8.312 5.183 1.00 22.12 C ATOM 396 CG LEU A 24 -7.171 -7.854 6.547 1.00 13.44 C ATOM 397 CD1 LEU A 24 -7.838 -6.469 6.444 1.00 5.31 C ATOM 398 CD2 LEU A 24 -8.145 -8.916 7.104 1.00 73.13 C ATOM 0 H LEU A 24 -4.526 -8.474 6.577 1.00 63.03 H new ATOM 0 HA LEU A 24 -6.349 -10.440 5.573 1.00 11.41 H new ATOM 0 HB2 LEU A 24 -5.929 -7.509 4.795 1.00 22.12 H new ATOM 0 HB3 LEU A 24 -7.364 -8.460 4.467 1.00 22.12 H new ATOM 0 HG LEU A 24 -6.349 -7.754 7.256 1.00 13.44 H new ATOM 0 HD11 LEU A 24 -8.251 -6.191 7.414 1.00 5.31 H new ATOM 0 HD12 LEU A 24 -7.097 -5.730 6.140 1.00 5.31 H new ATOM 0 HD13 LEU A 24 -8.639 -6.505 5.705 1.00 5.31 H new ATOM 0 HD21 LEU A 24 -8.557 -8.570 8.052 1.00 73.13 H new ATOM 0 HD22 LEU A 24 -8.956 -9.075 6.393 1.00 73.13 H new ATOM 0 HD23 LEU A 24 -7.611 -9.853 7.261 1.00 73.13 H new ATOM 410 N ALA A 25 -3.919 -9.554 3.569 1.00 33.24 N ATOM 411 CA ALA A 25 -3.218 -9.857 2.303 1.00 33.35 C ATOM 412 C ALA A 25 -2.718 -11.312 2.283 1.00 50.51 C ATOM 413 O ALA A 25 -2.856 -12.017 1.277 1.00 14.20 O ATOM 414 CB ALA A 25 -2.042 -8.884 2.098 1.00 71.14 C ATOM 0 H ALA A 25 -3.379 -8.963 4.201 1.00 33.24 H new ATOM 0 HA ALA A 25 -3.926 -9.731 1.484 1.00 33.35 H new ATOM 0 HB1 ALA A 25 -1.535 -9.118 1.162 1.00 71.14 H new ATOM 0 HB2 ALA A 25 -2.418 -7.862 2.061 1.00 71.14 H new ATOM 0 HB3 ALA A 25 -1.340 -8.982 2.926 1.00 71.14 H new ATOM 420 N GLN A 26 -2.138 -11.752 3.413 1.00 11.13 N ATOM 421 CA GLN A 26 -1.612 -13.126 3.562 1.00 51.24 C ATOM 422 C GLN A 26 -2.753 -14.128 3.865 1.00 40.12 C ATOM 423 O GLN A 26 -2.557 -15.342 3.767 1.00 25.40 O ATOM 424 CB GLN A 26 -0.510 -13.162 4.653 1.00 63.13 C ATOM 425 CG GLN A 26 -1.010 -12.925 6.092 1.00 44.44 C ATOM 426 CD GLN A 26 0.090 -12.816 7.149 1.00 34.15 C ATOM 427 OE1 GLN A 26 1.226 -12.222 6.798 1.00 50.15 O flip ATOM 428 NE2 GLN A 26 -0.101 -13.223 8.297 1.00 64.45 N flip ATOM 0 H GLN A 26 -2.020 -11.173 4.244 1.00 11.13 H new ATOM 0 HA GLN A 26 -1.160 -13.432 2.618 1.00 51.24 H new ATOM 0 HB2 GLN A 26 -0.011 -14.130 4.613 1.00 63.13 H new ATOM 0 HB3 GLN A 26 0.240 -12.407 4.416 1.00 63.13 H new ATOM 0 HG2 GLN A 26 -1.601 -12.009 6.109 1.00 44.44 H new ATOM 0 HG3 GLN A 26 -1.678 -13.741 6.367 1.00 44.44 H new ATOM 0 HE21 GLN A 26 -0.983 -13.675 8.538 1.00 64.45 H new ATOM 0 HE22 GLN A 26 0.623 -13.107 9.006 1.00 64.45 H new ATOM 437 N ARG A 27 -3.935 -13.599 4.250 1.00 4.41 N ATOM 438 CA ARG A 27 -5.195 -14.378 4.325 1.00 21.30 C ATOM 439 C ARG A 27 -5.783 -14.552 2.911 1.00 20.01 C ATOM 440 O ARG A 27 -6.533 -15.497 2.653 1.00 72.42 O ATOM 441 CB ARG A 27 -6.238 -13.686 5.259 1.00 71.41 C ATOM 442 CG ARG A 27 -5.950 -13.789 6.774 1.00 70.12 C ATOM 443 CD ARG A 27 -5.994 -15.229 7.296 1.00 14.33 C ATOM 444 NE ARG A 27 -7.319 -15.852 7.104 1.00 24.10 N ATOM 445 CZ ARG A 27 -7.538 -17.168 6.915 1.00 75.32 C ATOM 446 NH1 ARG A 27 -6.528 -18.036 6.893 1.00 62.42 N ATOM 447 NH2 ARG A 27 -8.776 -17.615 6.771 1.00 63.42 N ATOM 0 H ARG A 27 -4.045 -12.621 4.518 1.00 4.41 H new ATOM 0 HA ARG A 27 -4.966 -15.356 4.748 1.00 21.30 H new ATOM 0 HB2 ARG A 27 -6.297 -12.631 4.990 1.00 71.41 H new ATOM 0 HB3 ARG A 27 -7.218 -14.120 5.063 1.00 71.41 H new ATOM 0 HG2 ARG A 27 -4.968 -13.363 6.981 1.00 70.12 H new ATOM 0 HG3 ARG A 27 -6.679 -13.189 7.318 1.00 70.12 H new ATOM 0 HD2 ARG A 27 -5.238 -15.823 6.783 1.00 14.33 H new ATOM 0 HD3 ARG A 27 -5.741 -15.237 8.356 1.00 14.33 H new ATOM 0 HE ARG A 27 -8.133 -15.237 7.115 1.00 24.10 H new ATOM 0 HH11 ARG A 27 -5.571 -17.708 7.020 1.00 62.42 H new ATOM 0 HH12 ARG A 27 -6.712 -19.029 6.749 1.00 62.42 H new ATOM 0 HH21 ARG A 27 -9.560 -16.964 6.803 1.00 63.42 H new ATOM 0 HH22 ARG A 27 -8.945 -18.611 6.628 1.00 63.42 H new ATOM 461 N GLY A 28 -5.435 -13.611 2.010 1.00 22.10 N ATOM 462 CA GLY A 28 -5.835 -13.662 0.601 1.00 40.22 C ATOM 463 C GLY A 28 -7.058 -12.818 0.291 1.00 2.32 C ATOM 464 O GLY A 28 -7.450 -12.697 -0.877 1.00 4.20 O ATOM 0 H GLY A 28 -4.868 -12.796 2.245 1.00 22.10 H new ATOM 0 HA2 GLY A 28 -5.003 -13.324 -0.018 1.00 40.22 H new ATOM 0 HA3 GLY A 28 -6.038 -14.697 0.326 1.00 40.22 H new ATOM 468 N GLU A 29 -7.677 -12.245 1.335 1.00 72.41 N ATOM 469 CA GLU A 29 -8.828 -11.346 1.188 1.00 64.42 C ATOM 470 C GLU A 29 -8.347 -9.971 0.700 1.00 4.04 C ATOM 471 O GLU A 29 -8.031 -9.081 1.507 1.00 74.14 O ATOM 472 CB GLU A 29 -9.624 -11.230 2.520 1.00 41.33 C ATOM 473 CG GLU A 29 -10.553 -12.424 2.843 1.00 41.13 C ATOM 474 CD GLU A 29 -9.821 -13.766 3.002 1.00 4.34 C ATOM 475 OE1 GLU A 29 -9.793 -14.572 2.038 1.00 23.03 O ATOM 476 OE2 GLU A 29 -9.278 -14.025 4.098 1.00 72.45 O ATOM 0 H GLU A 29 -7.393 -12.393 2.303 1.00 72.41 H new ATOM 0 HA GLU A 29 -9.509 -11.761 0.445 1.00 64.42 H new ATOM 0 HB2 GLU A 29 -8.914 -11.112 3.339 1.00 41.33 H new ATOM 0 HB3 GLU A 29 -10.226 -10.322 2.486 1.00 41.33 H new ATOM 0 HG2 GLU A 29 -11.097 -12.208 3.763 1.00 41.13 H new ATOM 0 HG3 GLU A 29 -11.294 -12.519 2.049 1.00 41.13 H new ATOM 483 N TRP A 30 -8.265 -9.837 -0.636 1.00 13.41 N ATOM 484 CA TRP A 30 -7.830 -8.597 -1.300 1.00 71.23 C ATOM 485 C TRP A 30 -8.828 -7.482 -1.022 1.00 65.44 C ATOM 486 O TRP A 30 -8.448 -6.363 -0.781 1.00 70.13 O ATOM 487 CB TRP A 30 -7.656 -8.819 -2.829 1.00 51.23 C ATOM 488 CG TRP A 30 -6.791 -10.019 -3.162 1.00 13.13 C ATOM 489 CD1 TRP A 30 -7.101 -11.056 -4.001 1.00 54.43 C ATOM 490 CD2 TRP A 30 -5.492 -10.324 -2.621 1.00 70.41 C ATOM 491 NE1 TRP A 30 -6.083 -11.973 -4.013 1.00 55.35 N ATOM 492 CE2 TRP A 30 -5.089 -11.548 -3.177 1.00 60.55 C ATOM 493 CE3 TRP A 30 -4.629 -9.680 -1.727 1.00 24.41 C ATOM 494 CZ2 TRP A 30 -3.876 -12.142 -2.863 1.00 1.53 C ATOM 495 CZ3 TRP A 30 -3.427 -10.268 -1.417 1.00 40.44 C ATOM 496 CH2 TRP A 30 -3.058 -11.490 -1.983 1.00 12.20 C ATOM 0 H TRP A 30 -8.499 -10.587 -1.286 1.00 13.41 H new ATOM 0 HA TRP A 30 -6.861 -8.305 -0.896 1.00 71.23 H new ATOM 0 HB2 TRP A 30 -8.637 -8.949 -3.285 1.00 51.23 H new ATOM 0 HB3 TRP A 30 -7.214 -7.926 -3.272 1.00 51.23 H new ATOM 0 HD1 TRP A 30 -8.015 -11.139 -4.570 1.00 54.43 H new ATOM 0 HE1 TRP A 30 -6.069 -12.835 -4.558 1.00 55.35 H new ATOM 0 HE3 TRP A 30 -4.905 -8.733 -1.287 1.00 24.41 H new ATOM 0 HZ2 TRP A 30 -3.587 -13.087 -3.299 1.00 1.53 H new ATOM 0 HZ3 TRP A 30 -2.758 -9.778 -0.725 1.00 40.44 H new ATOM 0 HH2 TRP A 30 -2.107 -11.929 -1.720 1.00 12.20 H new ATOM 507 N ASP A 31 -10.107 -7.849 -1.001 1.00 24.54 N ATOM 508 CA ASP A 31 -11.230 -6.934 -0.740 1.00 3.50 C ATOM 509 C ASP A 31 -11.060 -6.181 0.600 1.00 25.23 C ATOM 510 O ASP A 31 -11.249 -4.957 0.669 1.00 11.23 O ATOM 511 CB ASP A 31 -12.540 -7.753 -0.749 1.00 30.34 C ATOM 512 CG ASP A 31 -12.768 -8.460 -2.096 1.00 44.24 C ATOM 513 OD1 ASP A 31 -12.330 -9.622 -2.252 1.00 1.32 O ATOM 514 OD2 ASP A 31 -13.346 -7.840 -3.013 1.00 64.35 O ATOM 0 H ASP A 31 -10.405 -8.810 -1.168 1.00 24.54 H new ATOM 0 HA ASP A 31 -11.259 -6.174 -1.521 1.00 3.50 H new ATOM 0 HB2 ASP A 31 -12.509 -8.495 0.049 1.00 30.34 H new ATOM 0 HB3 ASP A 31 -13.382 -7.093 -0.539 1.00 30.34 H new ATOM 519 N LEU A 32 -10.658 -6.928 1.644 1.00 72.42 N ATOM 520 CA LEU A 32 -10.424 -6.375 2.991 1.00 50.33 C ATOM 521 C LEU A 32 -9.134 -5.520 3.016 1.00 74.21 C ATOM 522 O LEU A 32 -9.092 -4.465 3.650 1.00 0.43 O ATOM 523 CB LEU A 32 -10.362 -7.524 4.034 1.00 10.45 C ATOM 524 CG LEU A 32 -11.645 -8.409 4.173 1.00 41.20 C ATOM 525 CD1 LEU A 32 -11.466 -9.496 5.257 1.00 42.44 C ATOM 526 CD2 LEU A 32 -12.898 -7.550 4.453 1.00 50.20 C ATOM 0 H LEU A 32 -10.486 -7.931 1.578 1.00 72.42 H new ATOM 0 HA LEU A 32 -11.255 -5.721 3.253 1.00 50.33 H new ATOM 0 HB2 LEU A 32 -9.525 -8.174 3.777 1.00 10.45 H new ATOM 0 HB3 LEU A 32 -10.140 -7.089 5.008 1.00 10.45 H new ATOM 0 HG LEU A 32 -11.795 -8.912 3.218 1.00 41.20 H new ATOM 0 HD11 LEU A 32 -12.375 -10.093 5.328 1.00 42.44 H new ATOM 0 HD12 LEU A 32 -10.629 -10.141 4.991 1.00 42.44 H new ATOM 0 HD13 LEU A 32 -11.268 -9.022 6.218 1.00 42.44 H new ATOM 0 HD21 LEU A 32 -13.770 -8.197 4.544 1.00 50.20 H new ATOM 0 HD22 LEU A 32 -12.759 -6.996 5.381 1.00 50.20 H new ATOM 0 HD23 LEU A 32 -13.050 -6.850 3.632 1.00 50.20 H new ATOM 538 N LEU A 33 -8.098 -6.002 2.304 1.00 14.23 N ATOM 539 CA LEU A 33 -6.812 -5.285 2.106 1.00 24.41 C ATOM 540 C LEU A 33 -7.033 -3.887 1.469 1.00 75.53 C ATOM 541 O LEU A 33 -6.486 -2.882 1.934 1.00 61.55 O ATOM 542 CB LEU A 33 -5.894 -6.154 1.198 1.00 54.13 C ATOM 543 CG LEU A 33 -4.547 -5.517 0.717 1.00 74.12 C ATOM 544 CD1 LEU A 33 -3.547 -5.356 1.872 1.00 1.31 C ATOM 545 CD2 LEU A 33 -3.937 -6.324 -0.442 1.00 73.42 C ATOM 0 H LEU A 33 -8.125 -6.911 1.842 1.00 14.23 H new ATOM 0 HA LEU A 33 -6.341 -5.127 3.076 1.00 24.41 H new ATOM 0 HB2 LEU A 33 -5.659 -7.072 1.736 1.00 54.13 H new ATOM 0 HB3 LEU A 33 -6.466 -6.439 0.315 1.00 54.13 H new ATOM 0 HG LEU A 33 -4.773 -4.517 0.347 1.00 74.12 H new ATOM 0 HD11 LEU A 33 -2.626 -4.911 1.496 1.00 1.31 H new ATOM 0 HD12 LEU A 33 -3.976 -4.710 2.638 1.00 1.31 H new ATOM 0 HD13 LEU A 33 -3.328 -6.333 2.303 1.00 1.31 H new ATOM 0 HD21 LEU A 33 -3.002 -5.860 -0.756 1.00 73.42 H new ATOM 0 HD22 LEU A 33 -3.742 -7.344 -0.112 1.00 73.42 H new ATOM 0 HD23 LEU A 33 -4.634 -6.341 -1.280 1.00 73.42 H new ATOM 557 N LEU A 34 -7.874 -3.857 0.420 1.00 15.25 N ATOM 558 CA LEU A 34 -8.151 -2.655 -0.399 1.00 63.24 C ATOM 559 C LEU A 34 -9.110 -1.699 0.335 1.00 11.40 C ATOM 560 O LEU A 34 -9.139 -0.493 0.063 1.00 54.33 O ATOM 561 CB LEU A 34 -8.743 -3.095 -1.765 1.00 32.33 C ATOM 562 CG LEU A 34 -7.842 -4.052 -2.615 1.00 51.13 C ATOM 563 CD1 LEU A 34 -8.616 -4.645 -3.810 1.00 4.43 C ATOM 564 CD2 LEU A 34 -6.541 -3.363 -3.064 1.00 10.25 C ATOM 0 H LEU A 34 -8.391 -4.680 0.109 1.00 15.25 H new ATOM 0 HA LEU A 34 -7.220 -2.114 -0.570 1.00 63.24 H new ATOM 0 HB2 LEU A 34 -9.698 -3.589 -1.585 1.00 32.33 H new ATOM 0 HB3 LEU A 34 -8.952 -2.202 -2.355 1.00 32.33 H new ATOM 0 HG LEU A 34 -7.556 -4.883 -1.970 1.00 51.13 H new ATOM 0 HD11 LEU A 34 -7.959 -5.304 -4.378 1.00 4.43 H new ATOM 0 HD12 LEU A 34 -9.472 -5.212 -3.444 1.00 4.43 H new ATOM 0 HD13 LEU A 34 -8.965 -3.838 -4.454 1.00 4.43 H new ATOM 0 HD21 LEU A 34 -5.944 -4.061 -3.651 1.00 10.25 H new ATOM 0 HD22 LEU A 34 -6.782 -2.491 -3.672 1.00 10.25 H new ATOM 0 HD23 LEU A 34 -5.974 -3.049 -2.187 1.00 10.25 H new ATOM 576 N GLN A 35 -9.905 -2.262 1.262 1.00 65.42 N ATOM 577 CA GLN A 35 -10.755 -1.475 2.173 1.00 32.33 C ATOM 578 C GLN A 35 -9.877 -0.680 3.163 1.00 24.41 C ATOM 579 O GLN A 35 -10.181 0.472 3.497 1.00 4.23 O ATOM 580 CB GLN A 35 -11.723 -2.421 2.930 1.00 33.11 C ATOM 581 CG GLN A 35 -12.745 -1.730 3.866 1.00 52.44 C ATOM 582 CD GLN A 35 -13.697 -0.741 3.171 1.00 1.44 C ATOM 583 OE1 GLN A 35 -14.127 0.244 3.773 1.00 72.21 O ATOM 584 NE2 GLN A 35 -14.059 -0.995 1.916 1.00 4.10 N ATOM 0 H GLN A 35 -9.976 -3.270 1.400 1.00 65.42 H new ATOM 0 HA GLN A 35 -11.345 -0.764 1.595 1.00 32.33 H new ATOM 0 HB2 GLN A 35 -12.272 -3.011 2.196 1.00 33.11 H new ATOM 0 HB3 GLN A 35 -11.131 -3.119 3.522 1.00 33.11 H new ATOM 0 HG2 GLN A 35 -13.340 -2.498 4.360 1.00 52.44 H new ATOM 0 HG3 GLN A 35 -12.200 -1.199 4.646 1.00 52.44 H new ATOM 0 HE21 GLN A 35 -13.691 -1.816 1.435 1.00 4.10 H new ATOM 0 HE22 GLN A 35 -14.704 -0.369 1.435 1.00 4.10 H new ATOM 593 N GLN A 36 -8.775 -1.311 3.610 1.00 71.33 N ATOM 594 CA GLN A 36 -7.806 -0.689 4.532 1.00 1.42 C ATOM 595 C GLN A 36 -6.794 0.200 3.771 1.00 74.43 C ATOM 596 O GLN A 36 -6.172 1.073 4.377 1.00 2.31 O ATOM 597 CB GLN A 36 -7.048 -1.779 5.326 1.00 74.42 C ATOM 598 CG GLN A 36 -7.923 -2.739 6.153 1.00 51.34 C ATOM 599 CD GLN A 36 -8.717 -2.071 7.275 1.00 61.31 C ATOM 600 OE1 GLN A 36 -8.311 -1.048 7.829 1.00 61.31 O ATOM 601 NE2 GLN A 36 -9.841 -2.662 7.643 1.00 24.41 N ATOM 0 H GLN A 36 -8.532 -2.265 3.343 1.00 71.33 H new ATOM 0 HA GLN A 36 -8.364 -0.057 5.223 1.00 1.42 H new ATOM 0 HB2 GLN A 36 -6.459 -2.369 4.624 1.00 74.42 H new ATOM 0 HB3 GLN A 36 -6.345 -1.288 5.999 1.00 74.42 H new ATOM 0 HG2 GLN A 36 -8.620 -3.243 5.483 1.00 51.34 H new ATOM 0 HG3 GLN A 36 -7.285 -3.509 6.586 1.00 51.34 H new ATOM 0 HE21 GLN A 36 -10.152 -3.508 7.166 1.00 24.41 H new ATOM 0 HE22 GLN A 36 -10.397 -2.272 8.404 1.00 24.41 H new ATOM 610 N GLU A 37 -6.631 -0.057 2.451 1.00 42.32 N ATOM 611 CA GLU A 37 -5.725 0.705 1.554 1.00 23.31 C ATOM 612 C GLU A 37 -5.964 2.215 1.669 1.00 62.30 C ATOM 613 O GLU A 37 -5.027 2.995 1.900 1.00 24.43 O ATOM 614 CB GLU A 37 -5.969 0.296 0.075 1.00 44.43 C ATOM 615 CG GLU A 37 -5.135 1.075 -0.965 1.00 55.10 C ATOM 616 CD GLU A 37 -5.597 0.871 -2.418 1.00 3.54 C ATOM 617 OE1 GLU A 37 -5.916 1.876 -3.094 1.00 71.15 O ATOM 618 OE2 GLU A 37 -5.655 -0.276 -2.882 1.00 22.11 O ATOM 0 H GLU A 37 -7.130 -0.807 1.973 1.00 42.32 H new ATOM 0 HA GLU A 37 -4.703 0.474 1.856 1.00 23.31 H new ATOM 0 HB2 GLU A 37 -5.754 -0.767 -0.032 1.00 44.43 H new ATOM 0 HB3 GLU A 37 -7.026 0.432 -0.154 1.00 44.43 H new ATOM 0 HG2 GLU A 37 -5.177 2.138 -0.727 1.00 55.10 H new ATOM 0 HG3 GLU A 37 -4.092 0.771 -0.880 1.00 55.10 H new ATOM 625 N VAL A 38 -7.241 2.598 1.499 1.00 32.14 N ATOM 626 CA VAL A 38 -7.655 4.000 1.402 1.00 74.31 C ATOM 627 C VAL A 38 -7.304 4.786 2.683 1.00 22.33 C ATOM 628 O VAL A 38 -6.717 5.858 2.595 1.00 21.10 O ATOM 629 CB VAL A 38 -9.184 4.135 1.041 1.00 75.44 C ATOM 630 CG1 VAL A 38 -9.473 3.510 -0.346 1.00 44.21 C ATOM 631 CG2 VAL A 38 -10.099 3.510 2.120 1.00 44.14 C ATOM 0 H VAL A 38 -8.015 1.938 1.425 1.00 32.14 H new ATOM 0 HA VAL A 38 -7.090 4.445 0.582 1.00 74.31 H new ATOM 0 HB VAL A 38 -9.412 5.200 1.004 1.00 75.44 H new ATOM 0 HG11 VAL A 38 -10.533 3.613 -0.578 1.00 44.21 H new ATOM 0 HG12 VAL A 38 -8.884 4.023 -1.106 1.00 44.21 H new ATOM 0 HG13 VAL A 38 -9.206 2.453 -0.332 1.00 44.21 H new ATOM 0 HG21 VAL A 38 -11.142 3.628 1.826 1.00 44.14 H new ATOM 0 HG22 VAL A 38 -9.869 2.449 2.222 1.00 44.14 H new ATOM 0 HG23 VAL A 38 -9.932 4.011 3.073 1.00 44.14 H new ATOM 641 N SER A 39 -7.595 4.197 3.858 1.00 15.21 N ATOM 642 CA SER A 39 -7.358 4.838 5.167 1.00 72.43 C ATOM 643 C SER A 39 -5.848 4.946 5.464 1.00 11.32 C ATOM 644 O SER A 39 -5.364 5.974 5.955 1.00 41.24 O ATOM 645 CB SER A 39 -8.082 4.022 6.263 1.00 71.20 C ATOM 646 OG SER A 39 -7.716 2.649 6.216 1.00 5.40 O ATOM 0 H SER A 39 -8.001 3.264 3.928 1.00 15.21 H new ATOM 0 HA SER A 39 -7.756 5.852 5.150 1.00 72.43 H new ATOM 0 HB2 SER A 39 -7.839 4.431 7.244 1.00 71.20 H new ATOM 0 HB3 SER A 39 -9.160 4.117 6.136 1.00 71.20 H new ATOM 0 HG SER A 39 -7.161 2.485 5.425 1.00 5.40 H new ATOM 652 N TYR A 40 -5.129 3.867 5.124 1.00 53.13 N ATOM 653 CA TYR A 40 -3.685 3.711 5.352 1.00 65.41 C ATOM 654 C TYR A 40 -2.869 4.770 4.587 1.00 14.21 C ATOM 655 O TYR A 40 -2.201 5.628 5.204 1.00 31.11 O ATOM 656 CB TYR A 40 -3.301 2.275 4.922 1.00 62.53 C ATOM 657 CG TYR A 40 -1.812 1.932 4.951 1.00 10.44 C ATOM 658 CD1 TYR A 40 -1.057 2.083 6.112 1.00 62.13 C ATOM 659 CD2 TYR A 40 -1.170 1.417 3.817 1.00 24.34 C ATOM 660 CE1 TYR A 40 0.274 1.739 6.138 1.00 52.11 C ATOM 661 CE2 TYR A 40 0.164 1.076 3.844 1.00 61.43 C ATOM 662 CZ TYR A 40 0.880 1.235 5.007 1.00 73.45 C ATOM 663 OH TYR A 40 2.205 0.880 5.045 1.00 41.51 O ATOM 0 H TYR A 40 -5.548 3.055 4.670 1.00 53.13 H new ATOM 0 HA TYR A 40 -3.453 3.863 6.406 1.00 65.41 H new ATOM 0 HB2 TYR A 40 -3.826 1.573 5.569 1.00 62.53 H new ATOM 0 HB3 TYR A 40 -3.670 2.112 3.909 1.00 62.53 H new ATOM 0 HD1 TYR A 40 -1.523 2.476 7.004 1.00 62.13 H new ATOM 0 HD2 TYR A 40 -1.732 1.285 2.904 1.00 24.34 H new ATOM 0 HE1 TYR A 40 0.846 1.864 7.046 1.00 52.11 H new ATOM 0 HE2 TYR A 40 0.644 0.687 2.958 1.00 61.43 H new ATOM 0 HH TYR A 40 2.575 1.092 5.927 1.00 41.51 H new ATOM 673 N LEU A 41 -2.953 4.712 3.245 1.00 50.43 N ATOM 674 CA LEU A 41 -2.217 5.617 2.353 1.00 75.40 C ATOM 675 C LEU A 41 -2.624 7.085 2.607 1.00 12.12 C ATOM 676 O LEU A 41 -1.762 7.957 2.660 1.00 74.24 O ATOM 677 CB LEU A 41 -2.444 5.217 0.868 1.00 14.23 C ATOM 678 CG LEU A 41 -1.924 3.799 0.443 1.00 53.51 C ATOM 679 CD1 LEU A 41 -2.310 3.474 -1.020 1.00 3.55 C ATOM 680 CD2 LEU A 41 -0.395 3.667 0.658 1.00 5.31 C ATOM 0 H LEU A 41 -3.534 4.035 2.752 1.00 50.43 H new ATOM 0 HA LEU A 41 -1.152 5.527 2.567 1.00 75.40 H new ATOM 0 HB2 LEU A 41 -3.513 5.266 0.660 1.00 14.23 H new ATOM 0 HB3 LEU A 41 -1.962 5.962 0.235 1.00 14.23 H new ATOM 0 HG LEU A 41 -2.412 3.067 1.087 1.00 53.51 H new ATOM 0 HD11 LEU A 41 -1.935 2.485 -1.284 1.00 3.55 H new ATOM 0 HD12 LEU A 41 -3.395 3.490 -1.122 1.00 3.55 H new ATOM 0 HD13 LEU A 41 -1.872 4.218 -1.686 1.00 3.55 H new ATOM 0 HD21 LEU A 41 -0.069 2.672 0.353 1.00 5.31 H new ATOM 0 HD22 LEU A 41 0.123 4.417 0.060 1.00 5.31 H new ATOM 0 HD23 LEU A 41 -0.161 3.818 1.712 1.00 5.31 H new ATOM 692 N GLN A 42 -3.942 7.329 2.824 1.00 33.51 N ATOM 693 CA GLN A 42 -4.481 8.680 3.139 1.00 42.10 C ATOM 694 C GLN A 42 -3.740 9.308 4.333 1.00 72.11 C ATOM 695 O GLN A 42 -3.298 10.459 4.262 1.00 32.34 O ATOM 696 CB GLN A 42 -5.988 8.586 3.473 1.00 70.53 C ATOM 697 CG GLN A 42 -6.708 9.923 3.747 1.00 60.44 C ATOM 698 CD GLN A 42 -8.149 9.761 4.269 1.00 45.43 C ATOM 699 OE1 GLN A 42 -8.642 10.599 5.026 1.00 42.41 O ATOM 700 NE2 GLN A 42 -8.839 8.695 3.869 1.00 54.15 N ATOM 0 H GLN A 42 -4.657 6.602 2.786 1.00 33.51 H new ATOM 0 HA GLN A 42 -4.334 9.310 2.262 1.00 42.10 H new ATOM 0 HB2 GLN A 42 -6.492 8.088 2.645 1.00 70.53 H new ATOM 0 HB3 GLN A 42 -6.106 7.947 4.348 1.00 70.53 H new ATOM 0 HG2 GLN A 42 -6.130 10.493 4.475 1.00 60.44 H new ATOM 0 HG3 GLN A 42 -6.729 10.508 2.828 1.00 60.44 H new ATOM 0 HE21 GLN A 42 -8.409 8.015 3.242 1.00 54.15 H new ATOM 0 HE22 GLN A 42 -9.798 8.558 4.190 1.00 54.15 H new ATOM 709 N SER A 43 -3.598 8.507 5.415 1.00 14.42 N ATOM 710 CA SER A 43 -2.912 8.931 6.645 1.00 51.12 C ATOM 711 C SER A 43 -1.425 9.263 6.380 1.00 1.24 C ATOM 712 O SER A 43 -0.884 10.218 6.969 1.00 21.21 O ATOM 713 CB SER A 43 -3.061 7.860 7.746 1.00 74.13 C ATOM 714 OG SER A 43 -4.423 7.674 8.103 1.00 24.35 O ATOM 0 H SER A 43 -3.957 7.553 5.454 1.00 14.42 H new ATOM 0 HA SER A 43 -3.388 9.847 6.996 1.00 51.12 H new ATOM 0 HB2 SER A 43 -2.642 6.916 7.397 1.00 74.13 H new ATOM 0 HB3 SER A 43 -2.489 8.157 8.625 1.00 74.13 H new ATOM 0 HG SER A 43 -4.857 7.091 7.446 1.00 24.35 H new ATOM 720 N ILE A 44 -0.782 8.487 5.479 1.00 10.22 N ATOM 721 CA ILE A 44 0.615 8.738 5.065 1.00 31.51 C ATOM 722 C ILE A 44 0.740 10.109 4.350 1.00 74.12 C ATOM 723 O ILE A 44 1.575 10.937 4.731 1.00 51.30 O ATOM 724 CB ILE A 44 1.179 7.589 4.141 1.00 52.11 C ATOM 725 CG1 ILE A 44 1.079 6.196 4.854 1.00 22.41 C ATOM 726 CG2 ILE A 44 2.638 7.889 3.720 1.00 75.33 C ATOM 727 CD1 ILE A 44 1.521 5.003 4.010 1.00 34.34 C ATOM 0 H ILE A 44 -1.210 7.680 5.024 1.00 10.22 H new ATOM 0 HA ILE A 44 1.216 8.754 5.974 1.00 31.51 H new ATOM 0 HB ILE A 44 0.567 7.550 3.240 1.00 52.11 H new ATOM 0 HG12 ILE A 44 1.685 6.225 5.760 1.00 22.41 H new ATOM 0 HG13 ILE A 44 0.047 6.038 5.166 1.00 22.41 H new ATOM 0 HG21 ILE A 44 3.006 7.084 3.084 1.00 75.33 H new ATOM 0 HG22 ILE A 44 2.672 8.830 3.171 1.00 75.33 H new ATOM 0 HG23 ILE A 44 3.265 7.965 4.609 1.00 75.33 H new ATOM 0 HD11 ILE A 44 1.415 4.087 4.591 1.00 34.34 H new ATOM 0 HD12 ILE A 44 0.901 4.940 3.116 1.00 34.34 H new ATOM 0 HD13 ILE A 44 2.564 5.129 3.720 1.00 34.34 H new ATOM 739 N GLU A 45 -0.114 10.359 3.337 1.00 23.25 N ATOM 740 CA GLU A 45 -0.080 11.626 2.573 1.00 62.14 C ATOM 741 C GLU A 45 -0.442 12.852 3.440 1.00 74.03 C ATOM 742 O GLU A 45 0.060 13.940 3.175 1.00 5.23 O ATOM 743 CB GLU A 45 -0.994 11.594 1.306 1.00 63.22 C ATOM 744 CG GLU A 45 -0.418 10.841 0.079 1.00 25.15 C ATOM 745 CD GLU A 45 -0.589 9.321 0.139 1.00 12.43 C ATOM 746 OE1 GLU A 45 -1.733 8.854 -0.057 1.00 21.00 O ATOM 747 OE2 GLU A 45 0.406 8.588 0.325 1.00 33.40 O ATOM 0 H GLU A 45 -0.833 9.705 3.029 1.00 23.25 H new ATOM 0 HA GLU A 45 0.955 11.728 2.245 1.00 62.14 H new ATOM 0 HB2 GLU A 45 -1.944 11.134 1.578 1.00 63.22 H new ATOM 0 HB3 GLU A 45 -1.210 12.621 1.010 1.00 63.22 H new ATOM 0 HG2 GLU A 45 -0.903 11.215 -0.823 1.00 25.15 H new ATOM 0 HG3 GLU A 45 0.643 11.073 -0.010 1.00 25.15 H new ATOM 754 N THR A 46 -1.318 12.685 4.457 1.00 11.24 N ATOM 755 CA THR A 46 -1.803 13.833 5.262 1.00 61.21 C ATOM 756 C THR A 46 -0.823 14.199 6.411 1.00 24.53 C ATOM 757 O THR A 46 -0.828 15.349 6.877 1.00 4.22 O ATOM 758 CB THR A 46 -3.268 13.611 5.785 1.00 42.40 C ATOM 759 OG1 THR A 46 -3.789 14.817 6.370 1.00 50.33 O ATOM 760 CG2 THR A 46 -3.364 12.477 6.807 1.00 45.21 C ATOM 0 H THR A 46 -1.700 11.782 4.738 1.00 11.24 H new ATOM 0 HA THR A 46 -1.835 14.692 4.592 1.00 61.21 H new ATOM 0 HB THR A 46 -3.863 13.331 4.915 1.00 42.40 H new ATOM 0 HG1 THR A 46 -4.702 14.658 6.688 1.00 50.33 H new ATOM 0 HG21 THR A 46 -4.398 12.368 7.134 1.00 45.21 H new ATOM 0 HG22 THR A 46 -3.028 11.546 6.350 1.00 45.21 H new ATOM 0 HG23 THR A 46 -2.734 12.707 7.666 1.00 45.21 H new ATOM 768 N VAL A 47 0.024 13.238 6.875 1.00 11.31 N ATOM 769 CA VAL A 47 1.155 13.581 7.786 1.00 13.31 C ATOM 770 C VAL A 47 2.314 14.204 6.975 1.00 24.20 C ATOM 771 O VAL A 47 3.019 15.101 7.458 1.00 61.42 O ATOM 772 CB VAL A 47 1.684 12.365 8.659 1.00 11.33 C ATOM 773 CG1 VAL A 47 0.582 11.809 9.587 1.00 44.52 C ATOM 774 CG2 VAL A 47 2.294 11.237 7.800 1.00 71.24 C ATOM 0 H VAL A 47 -0.050 12.248 6.642 1.00 11.31 H new ATOM 0 HA VAL A 47 0.759 14.303 8.499 1.00 13.31 H new ATOM 0 HB VAL A 47 2.485 12.765 9.281 1.00 11.33 H new ATOM 0 HG11 VAL A 47 0.981 10.978 10.169 1.00 44.52 H new ATOM 0 HG12 VAL A 47 0.244 12.595 10.262 1.00 44.52 H new ATOM 0 HG13 VAL A 47 -0.258 11.461 8.986 1.00 44.52 H new ATOM 0 HG21 VAL A 47 2.639 10.432 8.449 1.00 71.24 H new ATOM 0 HG22 VAL A 47 1.539 10.852 7.115 1.00 71.24 H new ATOM 0 HG23 VAL A 47 3.136 11.629 7.229 1.00 71.24 H new ATOM 784 N MET A 48 2.473 13.734 5.718 1.00 63.04 N ATOM 785 CA MET A 48 3.546 14.185 4.803 1.00 53.23 C ATOM 786 C MET A 48 3.119 15.366 3.924 1.00 63.05 C ATOM 787 O MET A 48 3.902 15.842 3.101 1.00 34.31 O ATOM 788 CB MET A 48 4.040 13.005 3.946 1.00 55.31 C ATOM 789 CG MET A 48 4.758 11.942 4.772 1.00 70.14 C ATOM 790 SD MET A 48 6.124 12.648 5.714 1.00 72.11 S ATOM 791 CE MET A 48 6.706 11.211 6.588 1.00 53.11 C ATOM 0 H MET A 48 1.860 13.030 5.308 1.00 63.04 H new ATOM 0 HA MET A 48 4.368 14.547 5.420 1.00 53.23 H new ATOM 0 HB2 MET A 48 3.191 12.551 3.435 1.00 55.31 H new ATOM 0 HB3 MET A 48 4.714 13.378 3.175 1.00 55.31 H new ATOM 0 HG2 MET A 48 4.050 11.470 5.454 1.00 70.14 H new ATOM 0 HG3 MET A 48 5.135 11.160 4.112 1.00 70.14 H new ATOM 0 HE1 MET A 48 6.919 11.477 7.623 1.00 53.11 H new ATOM 0 HE2 MET A 48 5.941 10.435 6.563 1.00 53.11 H new ATOM 0 HE3 MET A 48 7.615 10.840 6.114 1.00 53.11 H new ATOM 801 N GLU A 49 1.874 15.823 4.092 1.00 3.30 N ATOM 802 CA GLU A 49 1.408 17.102 3.522 1.00 21.15 C ATOM 803 C GLU A 49 2.075 18.272 4.273 1.00 60.42 C ATOM 804 O GLU A 49 2.320 19.342 3.710 1.00 54.42 O ATOM 805 CB GLU A 49 -0.143 17.195 3.595 1.00 34.34 C ATOM 806 CG GLU A 49 -0.764 18.394 2.841 1.00 23.00 C ATOM 807 CD GLU A 49 -0.391 18.424 1.341 1.00 20.32 C ATOM 808 OE1 GLU A 49 -0.977 17.643 0.556 1.00 51.42 O ATOM 809 OE2 GLU A 49 0.491 19.221 0.942 1.00 14.30 O ATOM 0 H GLU A 49 1.160 15.324 4.623 1.00 3.30 H new ATOM 0 HA GLU A 49 1.692 17.157 2.471 1.00 21.15 H new ATOM 0 HB2 GLU A 49 -0.566 16.274 3.193 1.00 34.34 H new ATOM 0 HB3 GLU A 49 -0.439 17.251 4.642 1.00 34.34 H new ATOM 0 HG2 GLU A 49 -1.849 18.355 2.939 1.00 23.00 H new ATOM 0 HG3 GLU A 49 -0.435 19.321 3.310 1.00 23.00 H new ATOM 816 N LYS A 50 2.367 18.038 5.564 1.00 42.24 N ATOM 817 CA LYS A 50 3.097 18.985 6.427 1.00 5.23 C ATOM 818 C LYS A 50 4.554 18.518 6.652 1.00 64.24 C ATOM 819 O LYS A 50 5.341 19.232 7.286 1.00 34.43 O ATOM 820 CB LYS A 50 2.322 19.155 7.763 1.00 20.14 C ATOM 821 CG LYS A 50 0.897 19.730 7.561 1.00 20.44 C ATOM 822 CD LYS A 50 0.091 19.857 8.870 1.00 15.51 C ATOM 823 CE LYS A 50 -1.276 20.529 8.651 1.00 12.04 C ATOM 824 NZ LYS A 50 -2.070 20.615 9.903 1.00 64.53 N ATOM 0 H LYS A 50 2.101 17.178 6.043 1.00 42.24 H new ATOM 0 HA LYS A 50 3.157 19.957 5.938 1.00 5.23 H new ATOM 0 HB2 LYS A 50 2.252 18.189 8.263 1.00 20.14 H new ATOM 0 HB3 LYS A 50 2.885 19.815 8.423 1.00 20.14 H new ATOM 0 HG2 LYS A 50 0.973 20.712 7.094 1.00 20.44 H new ATOM 0 HG3 LYS A 50 0.351 19.090 6.868 1.00 20.44 H new ATOM 0 HD2 LYS A 50 -0.058 18.866 9.300 1.00 15.51 H new ATOM 0 HD3 LYS A 50 0.666 20.435 9.593 1.00 15.51 H new ATOM 0 HE2 LYS A 50 -1.125 21.531 8.250 1.00 12.04 H new ATOM 0 HE3 LYS A 50 -1.839 19.968 7.905 1.00 12.04 H new ATOM 0 HZ1 LYS A 50 -2.672 21.462 9.874 1.00 64.53 H new ATOM 0 HZ2 LYS A 50 -2.667 19.768 9.994 1.00 64.53 H new ATOM 0 HZ3 LYS A 50 -1.427 20.675 10.718 1.00 64.53 H new ATOM 838 N GLN A 51 4.878 17.304 6.127 1.00 34.12 N ATOM 839 CA GLN A 51 6.252 16.734 6.073 1.00 55.10 C ATOM 840 C GLN A 51 6.933 16.685 7.460 1.00 73.13 C ATOM 841 O GLN A 51 8.158 16.856 7.549 1.00 73.23 O ATOM 842 CB GLN A 51 7.125 17.525 5.045 1.00 4.25 C ATOM 843 CG GLN A 51 6.627 17.473 3.588 1.00 14.41 C ATOM 844 CD GLN A 51 7.471 18.320 2.628 1.00 72.30 C ATOM 845 OE1 GLN A 51 8.446 17.840 2.043 1.00 63.31 O ATOM 846 NE2 GLN A 51 7.118 19.589 2.478 1.00 11.42 N ATOM 0 H GLN A 51 4.177 16.683 5.722 1.00 34.12 H new ATOM 0 HA GLN A 51 6.161 15.700 5.740 1.00 55.10 H new ATOM 0 HB2 GLN A 51 7.173 18.568 5.359 1.00 4.25 H new ATOM 0 HB3 GLN A 51 8.142 17.134 5.079 1.00 4.25 H new ATOM 0 HG2 GLN A 51 6.630 16.438 3.247 1.00 14.41 H new ATOM 0 HG3 GLN A 51 5.593 17.817 3.552 1.00 14.41 H new ATOM 0 HE21 GLN A 51 6.306 19.955 2.976 1.00 11.42 H new ATOM 0 HE22 GLN A 51 7.658 20.199 1.865 1.00 11.42 H new ATOM 855 N THR A 52 6.122 16.406 8.513 1.00 53.02 N ATOM 856 CA THR A 52 6.555 16.421 9.930 1.00 63.44 C ATOM 857 C THR A 52 6.840 17.878 10.407 1.00 33.33 C ATOM 858 O THR A 52 7.782 18.509 9.915 1.00 45.24 O ATOM 859 CB THR A 52 7.809 15.502 10.184 1.00 11.01 C ATOM 860 OG1 THR A 52 7.506 14.155 9.780 1.00 23.25 O ATOM 861 CG2 THR A 52 8.258 15.506 11.655 1.00 34.24 C ATOM 0 H THR A 52 5.138 16.162 8.398 1.00 53.02 H new ATOM 0 HA THR A 52 5.732 16.012 10.516 1.00 63.44 H new ATOM 0 HB THR A 52 8.631 15.905 9.592 1.00 11.01 H new ATOM 0 HG1 THR A 52 8.130 13.876 9.077 1.00 23.25 H new ATOM 0 HG21 THR A 52 9.125 14.856 11.772 1.00 34.24 H new ATOM 0 HG22 THR A 52 8.522 16.521 11.952 1.00 34.24 H new ATOM 0 HG23 THR A 52 7.445 15.144 12.284 1.00 34.24 H new ATOM 869 N PRO A 53 6.016 18.448 11.355 1.00 52.24 N ATOM 870 CA PRO A 53 6.275 19.798 11.928 1.00 62.23 C ATOM 871 C PRO A 53 7.619 19.840 12.720 1.00 75.43 C ATOM 872 O PRO A 53 7.979 18.856 13.357 1.00 32.42 O ATOM 873 CB PRO A 53 5.050 20.041 12.856 1.00 55.45 C ATOM 874 CG PRO A 53 4.516 18.673 13.164 1.00 54.03 C ATOM 875 CD PRO A 53 4.779 17.839 11.930 1.00 51.24 C ATOM 0 HA PRO A 53 6.381 20.567 11.163 1.00 62.23 H new ATOM 0 HB2 PRO A 53 5.343 20.564 13.766 1.00 55.45 H new ATOM 0 HB3 PRO A 53 4.297 20.656 12.363 1.00 55.45 H new ATOM 0 HG2 PRO A 53 5.012 18.247 14.036 1.00 54.03 H new ATOM 0 HG3 PRO A 53 3.450 18.711 13.390 1.00 54.03 H new ATOM 0 HD2 PRO A 53 4.928 16.788 12.180 1.00 51.24 H new ATOM 0 HD3 PRO A 53 3.946 17.885 11.229 1.00 51.24 H new ATOM 883 N PRO A 54 8.381 20.979 12.694 1.00 54.44 N ATOM 884 CA PRO A 54 9.715 21.086 13.371 1.00 20.21 C ATOM 885 C PRO A 54 9.662 21.108 14.923 1.00 0.41 C ATOM 886 O PRO A 54 10.706 21.258 15.573 1.00 4.42 O ATOM 887 CB PRO A 54 10.272 22.421 12.818 1.00 22.33 C ATOM 888 CG PRO A 54 9.054 23.231 12.499 1.00 42.40 C ATOM 889 CD PRO A 54 8.045 22.238 11.965 1.00 40.43 C ATOM 0 HA PRO A 54 10.329 20.210 13.163 1.00 20.21 H new ATOM 0 HB2 PRO A 54 10.902 22.923 13.553 1.00 22.33 H new ATOM 0 HB3 PRO A 54 10.884 22.259 11.931 1.00 22.33 H new ATOM 0 HG2 PRO A 54 8.675 23.738 13.386 1.00 42.40 H new ATOM 0 HG3 PRO A 54 9.276 24.002 11.761 1.00 42.40 H new ATOM 0 HD2 PRO A 54 7.022 22.557 12.165 1.00 40.43 H new ATOM 0 HD3 PRO A 54 8.135 22.114 10.886 1.00 40.43 H new ATOM 897 N GLY A 55 8.459 20.969 15.508 1.00 51.35 N ATOM 898 CA GLY A 55 8.285 20.976 16.967 1.00 45.01 C ATOM 899 C GLY A 55 8.029 19.594 17.551 1.00 32.31 C ATOM 900 O GLY A 55 7.367 19.467 18.588 1.00 23.20 O ATOM 0 H GLY A 55 7.590 20.850 14.987 1.00 51.35 H new ATOM 0 HA2 GLY A 55 9.177 21.399 17.430 1.00 45.01 H new ATOM 0 HA3 GLY A 55 7.452 21.631 17.223 1.00 45.01 H new ATOM 904 N ILE A 56 8.546 18.553 16.877 1.00 64.14 N ATOM 905 CA ILE A 56 8.459 17.166 17.355 1.00 72.31 C ATOM 906 C ILE A 56 9.565 16.906 18.396 1.00 32.14 C ATOM 907 O ILE A 56 10.749 16.826 18.055 1.00 74.23 O ATOM 908 CB ILE A 56 8.550 16.147 16.150 1.00 12.12 C ATOM 909 CG1 ILE A 56 7.381 16.384 15.146 1.00 61.31 C ATOM 910 CG2 ILE A 56 8.575 14.672 16.617 1.00 31.23 C ATOM 911 CD1 ILE A 56 5.993 16.372 15.756 1.00 65.44 C ATOM 0 H ILE A 56 9.035 18.651 15.987 1.00 64.14 H new ATOM 0 HA ILE A 56 7.491 17.015 17.833 1.00 72.31 H new ATOM 0 HB ILE A 56 9.498 16.335 15.646 1.00 12.12 H new ATOM 0 HG12 ILE A 56 7.536 17.344 14.653 1.00 61.31 H new ATOM 0 HG13 ILE A 56 7.427 15.618 14.372 1.00 61.31 H new ATOM 0 HG21 ILE A 56 8.638 14.016 15.748 1.00 31.23 H new ATOM 0 HG22 ILE A 56 9.441 14.508 17.259 1.00 31.23 H new ATOM 0 HG23 ILE A 56 7.664 14.451 17.173 1.00 31.23 H new ATOM 0 HD11 ILE A 56 5.251 16.546 14.976 1.00 65.44 H new ATOM 0 HD12 ILE A 56 5.809 15.404 16.223 1.00 65.44 H new ATOM 0 HD13 ILE A 56 5.919 17.157 16.508 1.00 65.44 H new ATOM 923 N THR A 57 9.165 16.819 19.677 1.00 20.32 N ATOM 924 CA THR A 57 10.085 16.531 20.791 1.00 61.54 C ATOM 925 C THR A 57 10.460 15.028 20.799 1.00 52.14 C ATOM 926 O THR A 57 9.790 14.221 20.146 1.00 34.40 O ATOM 927 CB THR A 57 9.463 16.972 22.158 1.00 24.22 C ATOM 928 OG1 THR A 57 10.418 16.798 23.215 1.00 42.21 O ATOM 929 CG2 THR A 57 8.167 16.205 22.493 1.00 74.31 C ATOM 0 H THR A 57 8.196 16.946 19.969 1.00 20.32 H new ATOM 0 HA THR A 57 10.998 17.108 20.648 1.00 61.54 H new ATOM 0 HB THR A 57 9.202 18.026 22.064 1.00 24.22 H new ATOM 0 HG1 THR A 57 10.020 17.078 24.065 1.00 42.21 H new ATOM 0 HG21 THR A 57 7.778 16.550 23.451 1.00 74.31 H new ATOM 0 HG22 THR A 57 7.426 16.385 21.714 1.00 74.31 H new ATOM 0 HG23 THR A 57 8.381 15.138 22.551 1.00 74.31 H new ATOM 937 N ARG A 58 11.495 14.658 21.580 1.00 53.51 N ATOM 938 CA ARG A 58 12.163 13.335 21.466 1.00 22.42 C ATOM 939 C ARG A 58 11.258 12.151 21.902 1.00 35.41 C ATOM 940 O ARG A 58 11.482 11.020 21.458 1.00 40.13 O ATOM 941 CB ARG A 58 13.520 13.304 22.245 1.00 13.21 C ATOM 942 CG ARG A 58 13.424 13.330 23.796 1.00 10.04 C ATOM 943 CD ARG A 58 13.117 14.718 24.400 1.00 71.41 C ATOM 944 NE ARG A 58 12.785 14.618 25.833 1.00 74.21 N ATOM 945 CZ ARG A 58 12.425 15.641 26.634 1.00 54.34 C ATOM 946 NH1 ARG A 58 12.353 16.893 26.177 1.00 64.25 N ATOM 947 NH2 ARG A 58 12.093 15.391 27.894 1.00 11.04 N ATOM 0 H ARG A 58 11.892 15.258 22.303 1.00 53.51 H new ATOM 0 HA ARG A 58 12.368 13.201 20.404 1.00 22.42 H new ATOM 0 HB2 ARG A 58 14.063 12.406 21.951 1.00 13.21 H new ATOM 0 HB3 ARG A 58 14.118 14.157 21.925 1.00 13.21 H new ATOM 0 HG2 ARG A 58 12.648 12.632 24.110 1.00 10.04 H new ATOM 0 HG3 ARG A 58 14.365 12.968 24.211 1.00 10.04 H new ATOM 0 HD2 ARG A 58 13.979 15.372 24.269 1.00 71.41 H new ATOM 0 HD3 ARG A 58 12.286 15.175 23.863 1.00 71.41 H new ATOM 0 HE ARG A 58 12.832 13.691 26.257 1.00 74.21 H new ATOM 0 HH11 ARG A 58 12.573 17.093 25.201 1.00 64.25 H new ATOM 0 HH12 ARG A 58 12.078 17.650 26.803 1.00 64.25 H new ATOM 0 HH21 ARG A 58 12.112 14.434 28.246 1.00 11.04 H new ATOM 0 HH22 ARG A 58 11.819 16.156 28.511 1.00 11.04 H new ATOM 961 N SER A 59 10.238 12.415 22.749 1.00 43.51 N ATOM 962 CA SER A 59 9.240 11.389 23.139 1.00 13.43 C ATOM 963 C SER A 59 8.322 11.051 21.947 1.00 21.32 C ATOM 964 O SER A 59 8.121 9.878 21.619 1.00 51.11 O ATOM 965 CB SER A 59 8.398 11.879 24.340 1.00 1.31 C ATOM 966 OG SER A 59 7.382 10.949 24.692 1.00 14.34 O ATOM 0 H SER A 59 10.083 13.328 23.176 1.00 43.51 H new ATOM 0 HA SER A 59 9.774 10.486 23.436 1.00 13.43 H new ATOM 0 HB2 SER A 59 9.051 12.045 25.197 1.00 1.31 H new ATOM 0 HB3 SER A 59 7.942 12.839 24.096 1.00 1.31 H new ATOM 0 HG SER A 59 6.873 11.294 25.455 1.00 14.34 H new ATOM 972 N ILE A 60 7.797 12.110 21.295 1.00 70.12 N ATOM 973 CA ILE A 60 6.911 11.990 20.119 1.00 35.53 C ATOM 974 C ILE A 60 7.675 11.353 18.948 1.00 71.41 C ATOM 975 O ILE A 60 7.155 10.483 18.248 1.00 62.21 O ATOM 976 CB ILE A 60 6.336 13.399 19.705 1.00 72.23 C ATOM 977 CG1 ILE A 60 5.481 13.994 20.870 1.00 64.12 C ATOM 978 CG2 ILE A 60 5.517 13.325 18.389 1.00 14.21 C ATOM 979 CD1 ILE A 60 4.953 15.394 20.620 1.00 15.33 C ATOM 0 H ILE A 60 7.977 13.075 21.571 1.00 70.12 H new ATOM 0 HA ILE A 60 6.071 11.347 20.381 1.00 35.53 H new ATOM 0 HB ILE A 60 7.179 14.064 19.515 1.00 72.23 H new ATOM 0 HG12 ILE A 60 4.637 13.331 21.058 1.00 64.12 H new ATOM 0 HG13 ILE A 60 6.086 14.005 21.777 1.00 64.12 H new ATOM 0 HG21 ILE A 60 5.139 14.316 18.140 1.00 14.21 H new ATOM 0 HG22 ILE A 60 6.156 12.967 17.582 1.00 14.21 H new ATOM 0 HG23 ILE A 60 4.680 12.640 18.520 1.00 14.21 H new ATOM 0 HD11 ILE A 60 4.372 15.723 21.482 1.00 15.33 H new ATOM 0 HD12 ILE A 60 5.789 16.076 20.464 1.00 15.33 H new ATOM 0 HD13 ILE A 60 4.318 15.390 19.734 1.00 15.33 H new ATOM 991 N GLN A 61 8.930 11.786 18.807 1.00 25.44 N ATOM 992 CA GLN A 61 9.874 11.309 17.791 1.00 12.41 C ATOM 993 C GLN A 61 10.149 9.801 17.953 1.00 41.33 C ATOM 994 O GLN A 61 10.227 9.079 16.963 1.00 31.24 O ATOM 995 CB GLN A 61 11.175 12.139 17.921 1.00 1.43 C ATOM 996 CG GLN A 61 12.326 11.728 17.001 1.00 75.22 C ATOM 997 CD GLN A 61 13.586 12.554 17.250 1.00 45.41 C ATOM 998 OE1 GLN A 61 14.411 12.204 18.096 1.00 73.15 O ATOM 999 NE2 GLN A 61 13.744 13.648 16.521 1.00 32.15 N ATOM 0 H GLN A 61 9.331 12.500 19.415 1.00 25.44 H new ATOM 0 HA GLN A 61 9.451 11.441 16.795 1.00 12.41 H new ATOM 0 HB2 GLN A 61 10.936 13.185 17.727 1.00 1.43 H new ATOM 0 HB3 GLN A 61 11.521 12.077 18.953 1.00 1.43 H new ATOM 0 HG2 GLN A 61 12.550 10.672 17.152 1.00 75.22 H new ATOM 0 HG3 GLN A 61 12.017 11.843 15.962 1.00 75.22 H new ATOM 0 HE21 GLN A 61 13.040 13.906 15.830 1.00 32.15 H new ATOM 0 HE22 GLN A 61 14.570 14.232 16.651 1.00 32.15 H new ATOM 1008 N ASP A 62 10.273 9.345 19.217 1.00 73.12 N ATOM 1009 CA ASP A 62 10.520 7.923 19.544 1.00 2.01 C ATOM 1010 C ASP A 62 9.283 7.060 19.219 1.00 34.11 C ATOM 1011 O ASP A 62 9.416 5.951 18.674 1.00 71.24 O ATOM 1012 CB ASP A 62 10.904 7.773 21.040 1.00 42.51 C ATOM 1013 CG ASP A 62 11.287 6.328 21.433 1.00 62.01 C ATOM 1014 OD1 ASP A 62 10.404 5.554 21.885 1.00 52.33 O ATOM 1015 OD2 ASP A 62 12.473 5.955 21.285 1.00 2.43 O ATOM 0 H ASP A 62 10.205 9.948 20.037 1.00 73.12 H new ATOM 0 HA ASP A 62 11.350 7.572 18.931 1.00 2.01 H new ATOM 0 HB2 ASP A 62 11.741 8.436 21.261 1.00 42.51 H new ATOM 0 HB3 ASP A 62 10.067 8.100 21.657 1.00 42.51 H new ATOM 1020 N MET A 63 8.082 7.590 19.557 1.00 21.32 N ATOM 1021 CA MET A 63 6.799 6.904 19.296 1.00 51.11 C ATOM 1022 C MET A 63 6.627 6.666 17.798 1.00 71.00 C ATOM 1023 O MET A 63 6.454 5.524 17.350 1.00 3.43 O ATOM 1024 CB MET A 63 5.577 7.707 19.830 1.00 72.20 C ATOM 1025 CG MET A 63 5.531 7.904 21.345 1.00 50.50 C ATOM 1026 SD MET A 63 3.952 8.593 21.906 1.00 12.43 S ATOM 1027 CE MET A 63 3.811 10.105 20.942 1.00 43.33 C ATOM 0 H MET A 63 7.979 8.496 20.014 1.00 21.32 H new ATOM 0 HA MET A 63 6.833 5.954 19.829 1.00 51.11 H new ATOM 0 HB2 MET A 63 5.572 8.687 19.353 1.00 72.20 H new ATOM 0 HB3 MET A 63 4.665 7.197 19.520 1.00 72.20 H new ATOM 0 HG2 MET A 63 5.702 6.947 21.838 1.00 50.50 H new ATOM 0 HG3 MET A 63 6.341 8.568 21.647 1.00 50.50 H new ATOM 0 HE1 MET A 63 2.787 10.474 20.992 1.00 43.33 H new ATOM 0 HE2 MET A 63 4.488 10.858 21.345 1.00 43.33 H new ATOM 0 HE3 MET A 63 4.073 9.900 19.904 1.00 43.33 H new ATOM 1037 N VAL A 64 6.719 7.757 17.027 1.00 22.42 N ATOM 1038 CA VAL A 64 6.470 7.715 15.589 1.00 2.42 C ATOM 1039 C VAL A 64 7.592 6.991 14.846 1.00 74.31 C ATOM 1040 O VAL A 64 7.325 6.387 13.838 1.00 33.35 O ATOM 1041 CB VAL A 64 6.203 9.128 14.979 1.00 64.34 C ATOM 1042 CG1 VAL A 64 4.996 9.798 15.687 1.00 74.31 C ATOM 1043 CG2 VAL A 64 7.463 10.016 15.018 1.00 44.31 C ATOM 0 H VAL A 64 6.965 8.681 17.381 1.00 22.42 H new ATOM 0 HA VAL A 64 5.553 7.141 15.454 1.00 2.42 H new ATOM 0 HB VAL A 64 5.949 9.003 13.926 1.00 64.34 H new ATOM 0 HG11 VAL A 64 4.820 10.782 15.253 1.00 74.31 H new ATOM 0 HG12 VAL A 64 4.108 9.180 15.556 1.00 74.31 H new ATOM 0 HG13 VAL A 64 5.211 9.904 16.750 1.00 74.31 H new ATOM 0 HG21 VAL A 64 7.235 10.990 14.585 1.00 44.31 H new ATOM 0 HG22 VAL A 64 7.785 10.145 16.051 1.00 44.31 H new ATOM 0 HG23 VAL A 64 8.260 9.542 14.446 1.00 44.31 H new ATOM 1053 N ALA A 65 8.832 7.015 15.382 1.00 53.21 N ATOM 1054 CA ALA A 65 9.950 6.216 14.827 1.00 10.24 C ATOM 1055 C ALA A 65 9.613 4.714 14.897 1.00 43.52 C ATOM 1056 O ALA A 65 9.889 3.959 13.958 1.00 2.32 O ATOM 1057 CB ALA A 65 11.264 6.512 15.560 1.00 63.32 C ATOM 0 H ALA A 65 9.085 7.576 16.195 1.00 53.21 H new ATOM 0 HA ALA A 65 10.085 6.498 13.783 1.00 10.24 H new ATOM 0 HB1 ALA A 65 12.064 5.910 15.129 1.00 63.32 H new ATOM 0 HB2 ALA A 65 11.509 7.569 15.456 1.00 63.32 H new ATOM 0 HB3 ALA A 65 11.154 6.267 16.617 1.00 63.32 H new ATOM 1063 N GLY A 66 8.984 4.307 16.023 1.00 45.14 N ATOM 1064 CA GLY A 66 8.431 2.960 16.167 1.00 41.03 C ATOM 1065 C GLY A 66 7.385 2.655 15.096 1.00 42.32 C ATOM 1066 O GLY A 66 7.465 1.625 14.425 1.00 53.23 O ATOM 0 H GLY A 66 8.851 4.901 16.842 1.00 45.14 H new ATOM 0 HA2 GLY A 66 9.237 2.229 16.106 1.00 41.03 H new ATOM 0 HA3 GLY A 66 7.981 2.856 17.154 1.00 41.03 H new ATOM 1070 N TYR A 67 6.447 3.606 14.894 1.00 64.54 N ATOM 1071 CA TYR A 67 5.333 3.455 13.932 1.00 24.33 C ATOM 1072 C TYR A 67 5.825 3.409 12.463 1.00 20.33 C ATOM 1073 O TYR A 67 5.265 2.664 11.645 1.00 2.52 O ATOM 1074 CB TYR A 67 4.299 4.599 14.106 1.00 10.14 C ATOM 1075 CG TYR A 67 3.633 4.679 15.499 1.00 13.22 C ATOM 1076 CD1 TYR A 67 3.473 5.907 16.155 1.00 45.35 C ATOM 1077 CD2 TYR A 67 3.162 3.536 16.155 1.00 74.02 C ATOM 1078 CE1 TYR A 67 2.878 5.991 17.398 1.00 41.43 C ATOM 1079 CE2 TYR A 67 2.562 3.622 17.400 1.00 24.14 C ATOM 1080 CZ TYR A 67 2.426 4.850 18.017 1.00 65.44 C ATOM 1081 OH TYR A 67 1.834 4.930 19.258 1.00 43.12 O ATOM 0 H TYR A 67 6.440 4.497 15.391 1.00 64.54 H new ATOM 0 HA TYR A 67 4.856 2.500 14.151 1.00 24.33 H new ATOM 0 HB2 TYR A 67 4.794 5.549 13.903 1.00 10.14 H new ATOM 0 HB3 TYR A 67 3.519 4.479 13.354 1.00 10.14 H new ATOM 0 HD1 TYR A 67 3.824 6.810 15.677 1.00 45.35 H new ATOM 0 HD2 TYR A 67 3.268 2.571 15.682 1.00 74.02 H new ATOM 0 HE1 TYR A 67 2.768 6.950 17.882 1.00 41.43 H new ATOM 0 HE2 TYR A 67 2.201 2.729 17.888 1.00 24.14 H new ATOM 0 HH TYR A 67 1.570 4.033 19.553 1.00 43.12 H new ATOM 1091 N ILE A 68 6.878 4.196 12.140 1.00 62.43 N ATOM 1092 CA ILE A 68 7.435 4.265 10.773 1.00 12.25 C ATOM 1093 C ILE A 68 8.162 2.947 10.457 1.00 33.30 C ATOM 1094 O ILE A 68 8.013 2.400 9.376 1.00 42.52 O ATOM 1095 CB ILE A 68 8.424 5.485 10.543 1.00 0.52 C ATOM 1096 CG1 ILE A 68 7.754 6.849 10.890 1.00 23.32 C ATOM 1097 CG2 ILE A 68 8.927 5.515 9.075 1.00 75.14 C ATOM 1098 CD1 ILE A 68 8.689 8.051 10.876 1.00 12.25 C ATOM 0 H ILE A 68 7.359 4.793 12.812 1.00 62.43 H new ATOM 0 HA ILE A 68 6.593 4.423 10.100 1.00 12.25 H new ATOM 0 HB ILE A 68 9.270 5.339 11.214 1.00 0.52 H new ATOM 0 HG12 ILE A 68 6.945 7.029 10.182 1.00 23.32 H new ATOM 0 HG13 ILE A 68 7.301 6.772 11.878 1.00 23.32 H new ATOM 0 HG21 ILE A 68 9.603 6.359 8.939 1.00 75.14 H new ATOM 0 HG22 ILE A 68 9.455 4.588 8.852 1.00 75.14 H new ATOM 0 HG23 ILE A 68 8.077 5.620 8.401 1.00 75.14 H new ATOM 0 HD11 ILE A 68 8.129 8.951 11.130 1.00 12.25 H new ATOM 0 HD12 ILE A 68 9.485 7.901 11.606 1.00 12.25 H new ATOM 0 HD13 ILE A 68 9.124 8.162 9.883 1.00 12.25 H new ATOM 1110 N LYS A 69 8.917 2.433 11.439 1.00 54.52 N ATOM 1111 CA LYS A 69 9.658 1.161 11.310 1.00 23.33 C ATOM 1112 C LYS A 69 8.681 -0.010 11.046 1.00 13.11 C ATOM 1113 O LYS A 69 8.937 -0.863 10.177 1.00 73.15 O ATOM 1114 CB LYS A 69 10.516 0.945 12.593 1.00 10.41 C ATOM 1115 CG LYS A 69 11.497 -0.268 12.590 1.00 4.44 C ATOM 1116 CD LYS A 69 10.873 -1.597 13.088 1.00 61.44 C ATOM 1117 CE LYS A 69 10.328 -1.498 14.527 1.00 70.34 C ATOM 1118 NZ LYS A 69 9.810 -2.806 15.017 1.00 61.13 N ATOM 0 H LYS A 69 9.034 2.884 12.346 1.00 54.52 H new ATOM 0 HA LYS A 69 10.332 1.201 10.454 1.00 23.33 H new ATOM 0 HB2 LYS A 69 11.097 1.850 12.769 1.00 10.41 H new ATOM 0 HB3 LYS A 69 9.838 0.831 13.439 1.00 10.41 H new ATOM 0 HG2 LYS A 69 11.872 -0.414 11.577 1.00 4.44 H new ATOM 0 HG3 LYS A 69 12.356 -0.027 13.216 1.00 4.44 H new ATOM 0 HD2 LYS A 69 10.064 -1.887 12.417 1.00 61.44 H new ATOM 0 HD3 LYS A 69 11.624 -2.386 13.042 1.00 61.44 H new ATOM 0 HE2 LYS A 69 11.119 -1.149 15.191 1.00 70.34 H new ATOM 0 HE3 LYS A 69 9.531 -0.756 14.563 1.00 70.34 H new ATOM 0 HZ1 LYS A 69 9.453 -2.696 15.988 1.00 61.13 H new ATOM 0 HZ2 LYS A 69 9.038 -3.127 14.398 1.00 61.13 H new ATOM 0 HZ3 LYS A 69 10.577 -3.509 15.007 1.00 61.13 H new ATOM 1132 N GLN A 70 7.546 -0.013 11.781 1.00 4.32 N ATOM 1133 CA GLN A 70 6.481 -1.023 11.610 1.00 5.21 C ATOM 1134 C GLN A 70 5.896 -0.960 10.198 1.00 22.10 C ATOM 1135 O GLN A 70 5.803 -1.985 9.510 1.00 30.15 O ATOM 1136 CB GLN A 70 5.337 -0.820 12.631 1.00 75.35 C ATOM 1137 CG GLN A 70 5.728 -1.022 14.098 1.00 4.15 C ATOM 1138 CD GLN A 70 4.562 -0.833 15.075 1.00 40.42 C ATOM 1139 OE1 GLN A 70 3.355 -1.235 14.681 1.00 44.02 O flip ATOM 1140 NE2 GLN A 70 4.751 -0.364 16.193 1.00 4.24 N flip ATOM 0 H GLN A 70 7.345 0.679 12.503 1.00 4.32 H new ATOM 0 HA GLN A 70 6.938 -1.998 11.778 1.00 5.21 H new ATOM 0 HB2 GLN A 70 4.941 0.189 12.513 1.00 75.35 H new ATOM 0 HB3 GLN A 70 4.529 -1.510 12.389 1.00 75.35 H new ATOM 0 HG2 GLN A 70 6.136 -2.025 14.222 1.00 4.15 H new ATOM 0 HG3 GLN A 70 6.523 -0.321 14.353 1.00 4.15 H new ATOM 0 HE21 GLN A 70 5.686 -0.064 16.469 1.00 4.24 H new ATOM 0 HE22 GLN A 70 3.973 -0.274 16.847 1.00 4.24 H new ATOM 1149 N THR A 71 5.521 0.261 9.776 1.00 42.12 N ATOM 1150 CA THR A 71 4.817 0.466 8.514 1.00 21.13 C ATOM 1151 C THR A 71 5.741 0.166 7.322 1.00 35.22 C ATOM 1152 O THR A 71 5.289 -0.385 6.347 1.00 60.12 O ATOM 1153 CB THR A 71 4.174 1.895 8.412 1.00 62.22 C ATOM 1154 OG1 THR A 71 3.168 1.906 7.401 1.00 1.32 O ATOM 1155 CG2 THR A 71 5.174 3.018 8.102 1.00 40.44 C ATOM 0 H THR A 71 5.698 1.119 10.299 1.00 42.12 H new ATOM 0 HA THR A 71 3.988 -0.241 8.484 1.00 21.13 H new ATOM 0 HB THR A 71 3.759 2.095 9.400 1.00 62.22 H new ATOM 0 HG1 THR A 71 3.217 2.747 6.900 1.00 1.32 H new ATOM 0 HG21 THR A 71 4.647 3.970 8.049 1.00 40.44 H new ATOM 0 HG22 THR A 71 5.926 3.063 8.890 1.00 40.44 H new ATOM 0 HG23 THR A 71 5.660 2.819 7.147 1.00 40.44 H new ATOM 1163 N LEU A 72 7.054 0.467 7.459 1.00 74.11 N ATOM 1164 CA LEU A 72 8.069 0.172 6.420 1.00 43.12 C ATOM 1165 C LEU A 72 8.222 -1.340 6.216 1.00 4.11 C ATOM 1166 O LEU A 72 8.335 -1.809 5.085 1.00 41.33 O ATOM 1167 CB LEU A 72 9.455 0.780 6.790 1.00 10.51 C ATOM 1168 CG LEU A 72 9.570 2.331 6.718 1.00 11.53 C ATOM 1169 CD1 LEU A 72 10.925 2.815 7.284 1.00 42.15 C ATOM 1170 CD2 LEU A 72 9.344 2.833 5.278 1.00 72.10 C ATOM 0 H LEU A 72 7.438 0.919 8.289 1.00 74.11 H new ATOM 0 HA LEU A 72 7.719 0.628 5.494 1.00 43.12 H new ATOM 0 HB2 LEU A 72 9.707 0.465 7.803 1.00 10.51 H new ATOM 0 HB3 LEU A 72 10.205 0.350 6.126 1.00 10.51 H new ATOM 0 HG LEU A 72 8.785 2.759 7.342 1.00 11.53 H new ATOM 0 HD11 LEU A 72 10.978 3.902 7.221 1.00 42.15 H new ATOM 0 HD12 LEU A 72 11.015 2.507 8.326 1.00 42.15 H new ATOM 0 HD13 LEU A 72 11.738 2.378 6.705 1.00 42.15 H new ATOM 0 HD21 LEU A 72 9.429 3.919 5.254 1.00 72.10 H new ATOM 0 HD22 LEU A 72 10.093 2.395 4.618 1.00 72.10 H new ATOM 0 HD23 LEU A 72 8.349 2.540 4.942 1.00 72.10 H new ATOM 1182 N ASP A 73 8.241 -2.080 7.337 1.00 72.43 N ATOM 1183 CA ASP A 73 8.398 -3.543 7.340 1.00 21.32 C ATOM 1184 C ASP A 73 7.180 -4.221 6.677 1.00 64.51 C ATOM 1185 O ASP A 73 7.341 -5.068 5.789 1.00 42.33 O ATOM 1186 CB ASP A 73 8.589 -4.046 8.794 1.00 10.41 C ATOM 1187 CG ASP A 73 8.798 -5.571 8.888 1.00 41.12 C ATOM 1188 OD1 ASP A 73 7.805 -6.317 9.066 1.00 3.10 O ATOM 1189 OD2 ASP A 73 9.957 -6.031 8.775 1.00 74.42 O ATOM 0 H ASP A 73 8.147 -1.678 8.270 1.00 72.43 H new ATOM 0 HA ASP A 73 9.283 -3.807 6.760 1.00 21.32 H new ATOM 0 HB2 ASP A 73 9.447 -3.540 9.236 1.00 10.41 H new ATOM 0 HB3 ASP A 73 7.716 -3.769 9.385 1.00 10.41 H new ATOM 1194 N ASN A 74 5.970 -3.810 7.099 1.00 74.44 N ATOM 1195 CA ASN A 74 4.699 -4.371 6.590 1.00 14.34 C ATOM 1196 C ASN A 74 4.493 -4.014 5.105 1.00 70.33 C ATOM 1197 O ASN A 74 4.067 -4.851 4.316 1.00 53.31 O ATOM 1198 CB ASN A 74 3.495 -3.860 7.429 1.00 12.45 C ATOM 1199 CG ASN A 74 3.511 -4.290 8.907 1.00 11.33 C ATOM 1200 OD1 ASN A 74 4.003 -5.490 9.206 1.00 74.42 O flip ATOM 1201 ND2 ASN A 74 3.063 -3.550 9.782 1.00 23.04 N flip ATOM 0 H ASN A 74 5.843 -3.081 7.801 1.00 74.44 H new ATOM 0 HA ASN A 74 4.756 -5.456 6.682 1.00 14.34 H new ATOM 0 HB2 ASN A 74 3.473 -2.771 7.382 1.00 12.45 H new ATOM 0 HB3 ASN A 74 2.573 -4.217 6.971 1.00 12.45 H new ATOM 0 HD21 ASN A 74 2.690 -2.634 9.533 1.00 23.04 H new ATOM 0 HD22 ASN A 74 3.065 -3.853 10.756 1.00 23.04 H new ATOM 1208 N GLU A 75 4.836 -2.768 4.750 1.00 52.25 N ATOM 1209 CA GLU A 75 4.663 -2.206 3.389 1.00 13.23 C ATOM 1210 C GLU A 75 5.712 -2.775 2.415 1.00 34.41 C ATOM 1211 O GLU A 75 5.477 -2.853 1.205 1.00 2.31 O ATOM 1212 CB GLU A 75 4.714 -0.662 3.507 1.00 51.24 C ATOM 1213 CG GLU A 75 4.491 0.161 2.237 1.00 52.44 C ATOM 1214 CD GLU A 75 4.263 1.658 2.544 1.00 33.13 C ATOM 1215 OE1 GLU A 75 3.120 2.146 2.385 1.00 21.02 O ATOM 1216 OE2 GLU A 75 5.206 2.340 2.994 1.00 42.52 O ATOM 0 H GLU A 75 5.249 -2.105 5.406 1.00 52.25 H new ATOM 0 HA GLU A 75 3.699 -2.494 2.969 1.00 13.23 H new ATOM 0 HB2 GLU A 75 3.965 -0.358 4.238 1.00 51.24 H new ATOM 0 HB3 GLU A 75 5.687 -0.390 3.915 1.00 51.24 H new ATOM 0 HG2 GLU A 75 5.354 0.054 1.580 1.00 52.44 H new ATOM 0 HG3 GLU A 75 3.630 -0.233 1.698 1.00 52.44 H new ATOM 1223 N GLN A 76 6.857 -3.205 2.971 1.00 24.21 N ATOM 1224 CA GLN A 76 7.892 -3.956 2.229 1.00 22.41 C ATOM 1225 C GLN A 76 7.362 -5.362 1.884 1.00 63.11 C ATOM 1226 O GLN A 76 7.552 -5.856 0.768 1.00 44.32 O ATOM 1227 CB GLN A 76 9.178 -4.054 3.085 1.00 53.24 C ATOM 1228 CG GLN A 76 10.365 -4.782 2.425 1.00 12.12 C ATOM 1229 CD GLN A 76 11.565 -4.991 3.358 1.00 33.33 C ATOM 1230 OE1 GLN A 76 11.308 -5.222 4.643 1.00 32.45 O flip ATOM 1231 NE2 GLN A 76 12.716 -4.981 2.923 1.00 65.32 N flip ATOM 0 H GLN A 76 7.094 -3.043 3.950 1.00 24.21 H new ATOM 0 HA GLN A 76 8.130 -3.435 1.302 1.00 22.41 H new ATOM 0 HB2 GLN A 76 9.495 -3.045 3.348 1.00 53.24 H new ATOM 0 HB3 GLN A 76 8.935 -4.565 4.017 1.00 53.24 H new ATOM 0 HG2 GLN A 76 10.027 -5.752 2.062 1.00 12.12 H new ATOM 0 HG3 GLN A 76 10.689 -4.212 1.555 1.00 12.12 H new ATOM 0 HE21 GLN A 76 12.886 -4.801 1.933 1.00 65.32 H new ATOM 0 HE22 GLN A 76 13.500 -5.152 3.552 1.00 65.32 H new ATOM 1240 N LEU A 77 6.687 -5.985 2.870 1.00 65.25 N ATOM 1241 CA LEU A 77 6.022 -7.288 2.705 1.00 20.42 C ATOM 1242 C LEU A 77 4.850 -7.202 1.712 1.00 22.23 C ATOM 1243 O LEU A 77 4.584 -8.162 1.005 1.00 64.45 O ATOM 1244 CB LEU A 77 5.540 -7.815 4.082 1.00 51.11 C ATOM 1245 CG LEU A 77 6.670 -8.193 5.082 1.00 65.12 C ATOM 1246 CD1 LEU A 77 6.115 -8.494 6.488 1.00 44.23 C ATOM 1247 CD2 LEU A 77 7.513 -9.366 4.534 1.00 1.40 C ATOM 0 H LEU A 77 6.589 -5.595 3.807 1.00 65.25 H new ATOM 0 HA LEU A 77 6.746 -7.990 2.291 1.00 20.42 H new ATOM 0 HB2 LEU A 77 4.909 -7.055 4.543 1.00 51.11 H new ATOM 0 HB3 LEU A 77 4.914 -8.692 3.918 1.00 51.11 H new ATOM 0 HG LEU A 77 7.327 -7.329 5.186 1.00 65.12 H new ATOM 0 HD11 LEU A 77 6.937 -8.754 7.156 1.00 44.23 H new ATOM 0 HD12 LEU A 77 5.600 -7.614 6.872 1.00 44.23 H new ATOM 0 HD13 LEU A 77 5.416 -9.328 6.432 1.00 44.23 H new ATOM 0 HD21 LEU A 77 8.298 -9.615 5.248 1.00 1.40 H new ATOM 0 HD22 LEU A 77 6.872 -10.235 4.382 1.00 1.40 H new ATOM 0 HD23 LEU A 77 7.965 -9.077 3.585 1.00 1.40 H new ATOM 1259 N LEU A 78 4.160 -6.046 1.675 1.00 74.14 N ATOM 1260 CA LEU A 78 3.093 -5.783 0.685 1.00 12.53 C ATOM 1261 C LEU A 78 3.698 -5.702 -0.721 1.00 21.21 C ATOM 1262 O LEU A 78 3.181 -6.291 -1.657 1.00 44.41 O ATOM 1263 CB LEU A 78 2.349 -4.462 1.004 1.00 63.14 C ATOM 1264 CG LEU A 78 1.592 -4.403 2.360 1.00 54.31 C ATOM 1265 CD1 LEU A 78 1.080 -2.974 2.634 1.00 41.43 C ATOM 1266 CD2 LEU A 78 0.447 -5.444 2.412 1.00 23.32 C ATOM 0 H LEU A 78 4.322 -5.274 2.322 1.00 74.14 H new ATOM 0 HA LEU A 78 2.376 -6.603 0.732 1.00 12.53 H new ATOM 0 HB2 LEU A 78 3.074 -3.648 0.982 1.00 63.14 H new ATOM 0 HB3 LEU A 78 1.633 -4.272 0.205 1.00 63.14 H new ATOM 0 HG LEU A 78 2.293 -4.662 3.153 1.00 54.31 H new ATOM 0 HD11 LEU A 78 0.553 -2.953 3.588 1.00 41.43 H new ATOM 0 HD12 LEU A 78 1.924 -2.286 2.671 1.00 41.43 H new ATOM 0 HD13 LEU A 78 0.400 -2.672 1.837 1.00 41.43 H new ATOM 0 HD21 LEU A 78 -0.062 -5.377 3.373 1.00 23.32 H new ATOM 0 HD22 LEU A 78 -0.263 -5.244 1.610 1.00 23.32 H new ATOM 0 HD23 LEU A 78 0.860 -6.445 2.289 1.00 23.32 H new ATOM 1278 N LYS A 79 4.818 -4.967 -0.831 1.00 2.03 N ATOM 1279 CA LYS A 79 5.562 -4.799 -2.089 1.00 40.34 C ATOM 1280 C LYS A 79 5.929 -6.179 -2.694 1.00 65.21 C ATOM 1281 O LYS A 79 5.603 -6.458 -3.847 1.00 43.13 O ATOM 1282 CB LYS A 79 6.825 -3.930 -1.823 1.00 62.23 C ATOM 1283 CG LYS A 79 7.743 -3.693 -3.043 1.00 1.21 C ATOM 1284 CD LYS A 79 8.988 -2.843 -2.682 1.00 12.44 C ATOM 1285 CE LYS A 79 10.038 -2.806 -3.807 1.00 71.04 C ATOM 1286 NZ LYS A 79 9.480 -2.292 -5.087 1.00 55.02 N ATOM 0 H LYS A 79 5.234 -4.470 -0.044 1.00 2.03 H new ATOM 0 HA LYS A 79 4.938 -4.286 -2.821 1.00 40.34 H new ATOM 0 HB2 LYS A 79 6.503 -2.962 -1.440 1.00 62.23 H new ATOM 0 HB3 LYS A 79 7.412 -4.405 -1.037 1.00 62.23 H new ATOM 0 HG2 LYS A 79 8.065 -4.653 -3.445 1.00 1.21 H new ATOM 0 HG3 LYS A 79 7.178 -3.192 -3.829 1.00 1.21 H new ATOM 0 HD2 LYS A 79 8.672 -1.825 -2.454 1.00 12.44 H new ATOM 0 HD3 LYS A 79 9.446 -3.245 -1.778 1.00 12.44 H new ATOM 0 HE2 LYS A 79 10.874 -2.177 -3.500 1.00 71.04 H new ATOM 0 HE3 LYS A 79 10.434 -3.809 -3.963 1.00 71.04 H new ATOM 0 HZ1 LYS A 79 10.220 -2.302 -5.817 1.00 55.02 H new ATOM 0 HZ2 LYS A 79 8.688 -2.896 -5.388 1.00 55.02 H new ATOM 0 HZ3 LYS A 79 9.141 -1.318 -4.952 1.00 55.02 H new ATOM 1300 N GLY A 80 6.531 -7.057 -1.866 1.00 10.34 N ATOM 1301 CA GLY A 80 6.920 -8.407 -2.300 1.00 41.42 C ATOM 1302 C GLY A 80 5.727 -9.316 -2.628 1.00 73.00 C ATOM 1303 O GLY A 80 5.649 -9.889 -3.730 1.00 14.44 O ATOM 0 H GLY A 80 6.757 -6.851 -0.893 1.00 10.34 H new ATOM 0 HA2 GLY A 80 7.557 -8.327 -3.181 1.00 41.42 H new ATOM 0 HA3 GLY A 80 7.517 -8.874 -1.516 1.00 41.42 H new ATOM 1307 N LEU A 81 4.784 -9.409 -1.669 1.00 15.41 N ATOM 1308 CA LEU A 81 3.610 -10.308 -1.743 1.00 53.44 C ATOM 1309 C LEU A 81 2.744 -9.953 -2.963 1.00 11.11 C ATOM 1310 O LEU A 81 2.528 -10.798 -3.850 1.00 23.11 O ATOM 1311 CB LEU A 81 2.809 -10.210 -0.398 1.00 62.42 C ATOM 1312 CG LEU A 81 1.710 -11.294 -0.078 1.00 63.01 C ATOM 1313 CD1 LEU A 81 1.339 -11.265 1.424 1.00 32.24 C ATOM 1314 CD2 LEU A 81 0.432 -11.118 -0.928 1.00 31.14 C ATOM 0 H LEU A 81 4.815 -8.857 -0.812 1.00 15.41 H new ATOM 0 HA LEU A 81 3.932 -11.341 -1.874 1.00 53.44 H new ATOM 0 HB2 LEU A 81 3.533 -10.226 0.417 1.00 62.42 H new ATOM 0 HB3 LEU A 81 2.324 -9.234 -0.375 1.00 62.42 H new ATOM 0 HG LEU A 81 2.145 -12.260 -0.334 1.00 63.01 H new ATOM 0 HD11 LEU A 81 0.579 -12.020 1.626 1.00 32.24 H new ATOM 0 HD12 LEU A 81 2.226 -11.474 2.022 1.00 32.24 H new ATOM 0 HD13 LEU A 81 0.950 -10.280 1.684 1.00 32.24 H new ATOM 0 HD21 LEU A 81 -0.289 -11.892 -0.665 1.00 31.14 H new ATOM 0 HD22 LEU A 81 -0.002 -10.137 -0.734 1.00 31.14 H new ATOM 0 HD23 LEU A 81 0.684 -11.201 -1.985 1.00 31.14 H new ATOM 1326 N LEU A 82 2.288 -8.686 -3.009 1.00 53.21 N ATOM 1327 CA LEU A 82 1.410 -8.192 -4.077 1.00 33.45 C ATOM 1328 C LEU A 82 2.117 -8.241 -5.446 1.00 71.21 C ATOM 1329 O LEU A 82 1.448 -8.415 -6.438 1.00 13.14 O ATOM 1330 CB LEU A 82 0.893 -6.753 -3.787 1.00 23.24 C ATOM 1331 CG LEU A 82 0.136 -6.539 -2.437 1.00 65.11 C ATOM 1332 CD1 LEU A 82 -0.322 -5.069 -2.283 1.00 21.53 C ATOM 1333 CD2 LEU A 82 -1.041 -7.521 -2.290 1.00 62.24 C ATOM 0 H LEU A 82 2.519 -7.982 -2.308 1.00 53.21 H new ATOM 0 HA LEU A 82 0.546 -8.856 -4.108 1.00 33.45 H new ATOM 0 HB2 LEU A 82 1.745 -6.074 -3.811 1.00 23.24 H new ATOM 0 HB3 LEU A 82 0.229 -6.460 -4.600 1.00 23.24 H new ATOM 0 HG LEU A 82 0.833 -6.751 -1.627 1.00 65.11 H new ATOM 0 HD11 LEU A 82 -0.846 -4.949 -1.335 1.00 21.53 H new ATOM 0 HD12 LEU A 82 0.548 -4.413 -2.303 1.00 21.53 H new ATOM 0 HD13 LEU A 82 -0.991 -4.809 -3.103 1.00 21.53 H new ATOM 0 HD21 LEU A 82 -1.546 -7.345 -1.340 1.00 62.24 H new ATOM 0 HD22 LEU A 82 -1.745 -7.370 -3.108 1.00 62.24 H new ATOM 0 HD23 LEU A 82 -0.667 -8.544 -2.317 1.00 62.24 H new ATOM 1345 N GLN A 83 3.467 -8.088 -5.489 1.00 55.25 N ATOM 1346 CA GLN A 83 4.240 -8.203 -6.759 1.00 45.23 C ATOM 1347 C GLN A 83 4.104 -9.602 -7.372 1.00 32.41 C ATOM 1348 O GLN A 83 3.937 -9.743 -8.587 1.00 12.33 O ATOM 1349 CB GLN A 83 5.732 -7.860 -6.530 1.00 74.13 C ATOM 1350 CG GLN A 83 6.629 -7.967 -7.779 1.00 54.22 C ATOM 1351 CD GLN A 83 8.019 -7.345 -7.611 1.00 73.31 C ATOM 1352 OE1 GLN A 83 8.600 -6.832 -8.570 1.00 14.40 O ATOM 1353 NE2 GLN A 83 8.580 -7.400 -6.410 1.00 34.42 N ATOM 0 H GLN A 83 4.039 -7.887 -4.669 1.00 55.25 H new ATOM 0 HA GLN A 83 3.822 -7.483 -7.463 1.00 45.23 H new ATOM 0 HB2 GLN A 83 5.799 -6.844 -6.140 1.00 74.13 H new ATOM 0 HB3 GLN A 83 6.127 -8.524 -5.761 1.00 74.13 H new ATOM 0 HG2 GLN A 83 6.744 -9.019 -8.041 1.00 54.22 H new ATOM 0 HG3 GLN A 83 6.126 -7.483 -8.616 1.00 54.22 H new ATOM 0 HE21 GLN A 83 8.079 -7.830 -5.632 1.00 34.42 H new ATOM 0 HE22 GLN A 83 9.512 -7.013 -6.264 1.00 34.42 H new ATOM 1362 N GLN A 84 4.176 -10.628 -6.508 1.00 53.32 N ATOM 1363 CA GLN A 84 3.955 -12.027 -6.917 1.00 2.11 C ATOM 1364 C GLN A 84 2.534 -12.199 -7.482 1.00 65.31 C ATOM 1365 O GLN A 84 2.352 -12.777 -8.563 1.00 64.13 O ATOM 1366 CB GLN A 84 4.186 -12.975 -5.717 1.00 1.33 C ATOM 1367 CG GLN A 84 5.599 -12.867 -5.109 1.00 42.31 C ATOM 1368 CD GLN A 84 5.820 -13.727 -3.862 1.00 55.24 C ATOM 1369 OE1 GLN A 84 6.571 -13.345 -2.967 1.00 42.11 O ATOM 1370 NE2 GLN A 84 5.209 -14.907 -3.805 1.00 15.32 N ATOM 0 H GLN A 84 4.387 -10.515 -5.516 1.00 53.32 H new ATOM 0 HA GLN A 84 4.668 -12.283 -7.701 1.00 2.11 H new ATOM 0 HB2 GLN A 84 3.449 -12.756 -4.944 1.00 1.33 H new ATOM 0 HB3 GLN A 84 4.015 -14.003 -6.038 1.00 1.33 H new ATOM 0 HG2 GLN A 84 6.329 -13.152 -5.866 1.00 42.31 H new ATOM 0 HG3 GLN A 84 5.793 -11.825 -4.855 1.00 42.31 H new ATOM 0 HE21 GLN A 84 4.591 -15.198 -4.562 1.00 15.32 H new ATOM 0 HE22 GLN A 84 5.358 -15.521 -3.004 1.00 15.32 H new ATOM 1379 N ARG A 85 1.545 -11.630 -6.760 1.00 44.21 N ATOM 1380 CA ARG A 85 0.118 -11.718 -7.127 1.00 62.44 C ATOM 1381 C ARG A 85 -0.151 -11.042 -8.484 1.00 74.35 C ATOM 1382 O ARG A 85 -0.808 -11.616 -9.344 1.00 72.10 O ATOM 1383 CB ARG A 85 -0.774 -11.077 -6.028 1.00 41.54 C ATOM 1384 CG ARG A 85 -0.491 -11.541 -4.580 1.00 34.34 C ATOM 1385 CD ARG A 85 -0.730 -13.045 -4.314 1.00 43.13 C ATOM 1386 NE ARG A 85 0.320 -13.935 -4.858 1.00 40.45 N ATOM 1387 CZ ARG A 85 1.011 -14.852 -4.152 1.00 2.42 C ATOM 1388 NH1 ARG A 85 0.785 -15.036 -2.846 1.00 55.10 N ATOM 1389 NH2 ARG A 85 1.892 -15.623 -4.773 1.00 70.43 N ATOM 0 H ARG A 85 1.715 -11.097 -5.907 1.00 44.21 H new ATOM 0 HA ARG A 85 -0.135 -12.775 -7.214 1.00 62.44 H new ATOM 0 HB2 ARG A 85 -0.653 -9.995 -6.073 1.00 41.54 H new ATOM 0 HB3 ARG A 85 -1.817 -11.291 -6.261 1.00 41.54 H new ATOM 0 HG2 ARG A 85 0.545 -11.305 -4.335 1.00 34.34 H new ATOM 0 HG3 ARG A 85 -1.119 -10.964 -3.901 1.00 34.34 H new ATOM 0 HD2 ARG A 85 -0.803 -13.204 -3.238 1.00 43.13 H new ATOM 0 HD3 ARG A 85 -1.690 -13.330 -4.744 1.00 43.13 H new ATOM 0 HE ARG A 85 0.539 -13.847 -5.850 1.00 40.45 H new ATOM 0 HH11 ARG A 85 0.079 -14.477 -2.367 1.00 55.10 H new ATOM 0 HH12 ARG A 85 1.319 -15.735 -2.330 1.00 55.10 H new ATOM 0 HH21 ARG A 85 2.042 -15.520 -5.777 1.00 70.43 H new ATOM 0 HH22 ARG A 85 2.420 -16.320 -4.247 1.00 70.43 H new ATOM 1403 N LEU A 86 0.407 -9.829 -8.654 1.00 2.31 N ATOM 1404 CA LEU A 86 0.236 -9.004 -9.864 1.00 75.52 C ATOM 1405 C LEU A 86 0.848 -9.690 -11.092 1.00 13.22 C ATOM 1406 O LEU A 86 0.279 -9.630 -12.169 1.00 0.11 O ATOM 1407 CB LEU A 86 0.878 -7.595 -9.669 1.00 20.13 C ATOM 1408 CG LEU A 86 0.169 -6.644 -8.655 1.00 41.55 C ATOM 1409 CD1 LEU A 86 0.950 -5.324 -8.473 1.00 41.11 C ATOM 1410 CD2 LEU A 86 -1.284 -6.378 -9.079 1.00 62.45 C ATOM 0 H LEU A 86 0.996 -9.389 -7.947 1.00 2.31 H new ATOM 0 HA LEU A 86 -0.834 -8.884 -10.032 1.00 75.52 H new ATOM 0 HB2 LEU A 86 1.910 -7.732 -9.345 1.00 20.13 H new ATOM 0 HB3 LEU A 86 0.911 -7.098 -10.638 1.00 20.13 H new ATOM 0 HG LEU A 86 0.152 -7.145 -7.687 1.00 41.55 H new ATOM 0 HD11 LEU A 86 0.427 -4.687 -7.760 1.00 41.11 H new ATOM 0 HD12 LEU A 86 1.950 -5.542 -8.099 1.00 41.11 H new ATOM 0 HD13 LEU A 86 1.025 -4.810 -9.432 1.00 41.11 H new ATOM 0 HD21 LEU A 86 -1.758 -5.713 -8.357 1.00 62.45 H new ATOM 0 HD22 LEU A 86 -1.296 -5.912 -10.064 1.00 62.45 H new ATOM 0 HD23 LEU A 86 -1.830 -7.320 -9.117 1.00 62.45 H new ATOM 1422 N ASP A 87 2.007 -10.340 -10.892 1.00 53.15 N ATOM 1423 CA ASP A 87 2.735 -11.065 -11.954 1.00 52.45 C ATOM 1424 C ASP A 87 1.876 -12.217 -12.500 1.00 41.24 C ATOM 1425 O ASP A 87 1.741 -12.392 -13.718 1.00 75.05 O ATOM 1426 CB ASP A 87 4.084 -11.602 -11.403 1.00 61.30 C ATOM 1427 CG ASP A 87 4.953 -12.289 -12.479 1.00 41.34 C ATOM 1428 OD1 ASP A 87 5.593 -11.582 -13.283 1.00 61.11 O ATOM 1429 OD2 ASP A 87 5.012 -13.535 -12.518 1.00 3.21 O ATOM 0 H ASP A 87 2.470 -10.379 -9.984 1.00 53.15 H new ATOM 0 HA ASP A 87 2.943 -10.376 -12.773 1.00 52.45 H new ATOM 0 HB2 ASP A 87 4.645 -10.776 -10.966 1.00 61.30 H new ATOM 0 HB3 ASP A 87 3.884 -12.311 -10.600 1.00 61.30 H new ATOM 1434 N GLU A 88 1.270 -12.969 -11.567 1.00 74.31 N ATOM 1435 CA GLU A 88 0.387 -14.101 -11.887 1.00 30.45 C ATOM 1436 C GLU A 88 -0.879 -13.615 -12.613 1.00 71.24 C ATOM 1437 O GLU A 88 -1.229 -14.145 -13.672 1.00 33.20 O ATOM 1438 CB GLU A 88 0.035 -14.865 -10.591 1.00 72.45 C ATOM 1439 CG GLU A 88 1.264 -15.476 -9.890 1.00 30.32 C ATOM 1440 CD GLU A 88 0.950 -16.036 -8.496 1.00 11.22 C ATOM 1441 OE1 GLU A 88 0.739 -17.261 -8.363 1.00 23.02 O ATOM 1442 OE2 GLU A 88 0.899 -15.246 -7.528 1.00 30.24 O ATOM 0 H GLU A 88 1.380 -12.808 -10.566 1.00 74.31 H new ATOM 0 HA GLU A 88 0.906 -14.782 -12.561 1.00 30.45 H new ATOM 0 HB2 GLU A 88 -0.467 -14.186 -9.902 1.00 72.45 H new ATOM 0 HB3 GLU A 88 -0.672 -15.660 -10.827 1.00 72.45 H new ATOM 0 HG2 GLU A 88 1.669 -16.274 -10.512 1.00 30.32 H new ATOM 0 HG3 GLU A 88 2.040 -14.715 -9.802 1.00 30.32 H new ATOM 1449 N LEU A 89 -1.526 -12.562 -12.055 1.00 31.22 N ATOM 1450 CA LEU A 89 -2.727 -11.938 -12.657 1.00 3.01 C ATOM 1451 C LEU A 89 -2.407 -11.388 -14.061 1.00 44.41 C ATOM 1452 O LEU A 89 -3.220 -11.493 -14.958 1.00 35.13 O ATOM 1453 CB LEU A 89 -3.292 -10.801 -11.748 1.00 14.22 C ATOM 1454 CG LEU A 89 -3.799 -11.230 -10.332 1.00 1.52 C ATOM 1455 CD1 LEU A 89 -4.262 -10.007 -9.508 1.00 1.42 C ATOM 1456 CD2 LEU A 89 -4.915 -12.296 -10.429 1.00 74.10 C ATOM 0 H LEU A 89 -1.231 -12.125 -11.182 1.00 31.22 H new ATOM 0 HA LEU A 89 -3.491 -12.710 -12.747 1.00 3.01 H new ATOM 0 HB2 LEU A 89 -2.514 -10.049 -11.619 1.00 14.22 H new ATOM 0 HB3 LEU A 89 -4.116 -10.320 -12.275 1.00 14.22 H new ATOM 0 HG LEU A 89 -2.958 -11.684 -9.807 1.00 1.52 H new ATOM 0 HD11 LEU A 89 -4.609 -10.338 -8.529 1.00 1.42 H new ATOM 0 HD12 LEU A 89 -3.429 -9.316 -9.383 1.00 1.42 H new ATOM 0 HD13 LEU A 89 -5.076 -9.504 -10.030 1.00 1.42 H new ATOM 0 HD21 LEU A 89 -5.244 -12.571 -9.427 1.00 74.10 H new ATOM 0 HD22 LEU A 89 -5.758 -11.891 -10.989 1.00 74.10 H new ATOM 0 HD23 LEU A 89 -4.531 -13.179 -10.940 1.00 74.10 H new ATOM 1468 N SER A 90 -1.186 -10.858 -14.230 1.00 20.12 N ATOM 1469 CA SER A 90 -0.714 -10.254 -15.494 1.00 22.51 C ATOM 1470 C SER A 90 -0.528 -11.331 -16.577 1.00 74.15 C ATOM 1471 O SER A 90 -0.753 -11.074 -17.764 1.00 42.11 O ATOM 1472 CB SER A 90 0.613 -9.499 -15.240 1.00 22.32 C ATOM 1473 OG SER A 90 1.048 -8.776 -16.376 1.00 73.34 O ATOM 0 H SER A 90 -0.488 -10.835 -13.487 1.00 20.12 H new ATOM 0 HA SER A 90 -1.463 -9.548 -15.852 1.00 22.51 H new ATOM 0 HB2 SER A 90 0.483 -8.812 -14.404 1.00 22.32 H new ATOM 0 HB3 SER A 90 1.384 -10.213 -14.950 1.00 22.32 H new ATOM 0 HG SER A 90 1.887 -8.315 -16.169 1.00 73.34 H new ATOM 1479 N SER A 91 -0.110 -12.539 -16.145 1.00 64.44 N ATOM 1480 CA SER A 91 0.023 -13.709 -17.028 1.00 42.21 C ATOM 1481 C SER A 91 -1.366 -14.191 -17.486 1.00 53.15 C ATOM 1482 O SER A 91 -1.540 -14.604 -18.638 1.00 23.25 O ATOM 1483 CB SER A 91 0.787 -14.841 -16.304 1.00 22.00 C ATOM 1484 OG SER A 91 0.909 -16.006 -17.113 1.00 65.45 O ATOM 0 H SER A 91 0.144 -12.727 -15.175 1.00 64.44 H new ATOM 0 HA SER A 91 0.594 -13.422 -17.911 1.00 42.21 H new ATOM 0 HB2 SER A 91 1.780 -14.488 -16.026 1.00 22.00 H new ATOM 0 HB3 SER A 91 0.268 -15.095 -15.380 1.00 22.00 H new ATOM 0 HG SER A 91 1.399 -16.697 -16.620 1.00 65.45 H new ATOM 1490 N LEU A 92 -2.353 -14.115 -16.567 1.00 4.21 N ATOM 1491 CA LEU A 92 -3.747 -14.490 -16.856 1.00 71.30 C ATOM 1492 C LEU A 92 -4.353 -13.510 -17.888 1.00 32.44 C ATOM 1493 O LEU A 92 -4.778 -13.924 -18.970 1.00 23.43 O ATOM 1494 CB LEU A 92 -4.589 -14.513 -15.541 1.00 2.23 C ATOM 1495 CG LEU A 92 -4.055 -15.446 -14.402 1.00 24.32 C ATOM 1496 CD1 LEU A 92 -4.979 -15.426 -13.165 1.00 32.40 C ATOM 1497 CD2 LEU A 92 -3.820 -16.888 -14.910 1.00 34.32 C ATOM 0 H LEU A 92 -2.203 -13.794 -15.611 1.00 4.21 H new ATOM 0 HA LEU A 92 -3.765 -15.493 -17.282 1.00 71.30 H new ATOM 0 HB2 LEU A 92 -4.649 -13.496 -15.153 1.00 2.23 H new ATOM 0 HB3 LEU A 92 -5.605 -14.820 -15.789 1.00 2.23 H new ATOM 0 HG LEU A 92 -3.089 -15.049 -14.090 1.00 24.32 H new ATOM 0 HD11 LEU A 92 -4.574 -16.086 -12.398 1.00 32.40 H new ATOM 0 HD12 LEU A 92 -5.042 -14.410 -12.774 1.00 32.40 H new ATOM 0 HD13 LEU A 92 -5.974 -15.768 -13.449 1.00 32.40 H new ATOM 0 HD21 LEU A 92 -3.450 -17.506 -14.092 1.00 34.32 H new ATOM 0 HD22 LEU A 92 -4.758 -17.301 -15.281 1.00 34.32 H new ATOM 0 HD23 LEU A 92 -3.086 -16.875 -15.716 1.00 34.32 H new ATOM 1509 N ILE A 93 -4.297 -12.206 -17.548 1.00 15.35 N ATOM 1510 CA ILE A 93 -4.856 -11.093 -18.352 1.00 64.40 C ATOM 1511 C ILE A 93 -4.229 -11.048 -19.760 1.00 13.51 C ATOM 1512 O ILE A 93 -4.932 -10.866 -20.750 1.00 1.54 O ATOM 1513 CB ILE A 93 -4.618 -9.711 -17.622 1.00 35.42 C ATOM 1514 CG1 ILE A 93 -5.333 -9.674 -16.238 1.00 35.35 C ATOM 1515 CG2 ILE A 93 -5.071 -8.506 -18.484 1.00 51.43 C ATOM 1516 CD1 ILE A 93 -4.936 -8.489 -15.380 1.00 14.13 C ATOM 0 H ILE A 93 -3.852 -11.887 -16.687 1.00 15.35 H new ATOM 0 HA ILE A 93 -5.927 -11.268 -18.456 1.00 64.40 H new ATOM 0 HB ILE A 93 -3.543 -9.624 -17.467 1.00 35.42 H new ATOM 0 HG12 ILE A 93 -6.411 -9.652 -16.396 1.00 35.35 H new ATOM 0 HG13 ILE A 93 -5.109 -10.594 -15.698 1.00 35.35 H new ATOM 0 HG21 ILE A 93 -4.887 -7.580 -17.940 1.00 51.43 H new ATOM 0 HG22 ILE A 93 -4.510 -8.495 -19.418 1.00 51.43 H new ATOM 0 HG23 ILE A 93 -6.135 -8.594 -18.701 1.00 51.43 H new ATOM 0 HD11 ILE A 93 -5.473 -8.530 -14.432 1.00 14.13 H new ATOM 0 HD12 ILE A 93 -3.863 -8.520 -15.190 1.00 14.13 H new ATOM 0 HD13 ILE A 93 -5.186 -7.564 -15.899 1.00 14.13 H new ATOM 1528 N GLY A 94 -2.903 -11.245 -19.825 1.00 34.34 N ATOM 1529 CA GLY A 94 -2.173 -11.218 -21.094 1.00 4.44 C ATOM 1530 C GLY A 94 -2.687 -12.236 -22.118 1.00 3.24 C ATOM 1531 O GLY A 94 -2.698 -11.964 -23.319 1.00 33.31 O ATOM 0 H GLY A 94 -2.317 -11.425 -19.010 1.00 34.34 H new ATOM 0 HA2 GLY A 94 -2.242 -10.218 -21.522 1.00 4.44 H new ATOM 0 HA3 GLY A 94 -1.118 -11.410 -20.901 1.00 4.44 H new ATOM 1535 N GLN A 95 -3.142 -13.401 -21.626 1.00 44.33 N ATOM 1536 CA GLN A 95 -3.664 -14.484 -22.481 1.00 61.21 C ATOM 1537 C GLN A 95 -5.174 -14.294 -22.772 1.00 23.11 C ATOM 1538 O GLN A 95 -5.618 -14.447 -23.920 1.00 23.22 O ATOM 1539 CB GLN A 95 -3.419 -15.869 -21.810 1.00 14.21 C ATOM 1540 CG GLN A 95 -1.944 -16.176 -21.462 1.00 14.25 C ATOM 1541 CD GLN A 95 -0.997 -16.201 -22.672 1.00 3.31 C ATOM 1542 OE1 GLN A 95 -0.409 -15.182 -23.044 1.00 31.43 O ATOM 1543 NE2 GLN A 95 -0.838 -17.365 -23.293 1.00 52.32 N ATOM 0 H GLN A 95 -3.159 -13.619 -20.630 1.00 44.33 H new ATOM 0 HA GLN A 95 -3.129 -14.447 -23.430 1.00 61.21 H new ATOM 0 HB2 GLN A 95 -4.011 -15.923 -20.896 1.00 14.21 H new ATOM 0 HB3 GLN A 95 -3.789 -16.649 -22.476 1.00 14.21 H new ATOM 0 HG2 GLN A 95 -1.588 -15.429 -20.753 1.00 14.25 H new ATOM 0 HG3 GLN A 95 -1.896 -17.142 -20.959 1.00 14.25 H new ATOM 0 HE21 GLN A 95 -1.337 -18.191 -22.963 1.00 52.32 H new ATOM 0 HE22 GLN A 95 -0.217 -17.432 -24.099 1.00 52.32 H new ATOM 1552 N VAL A 96 -5.956 -13.945 -21.726 1.00 74.34 N ATOM 1553 CA VAL A 96 -7.440 -13.995 -21.771 1.00 51.24 C ATOM 1554 C VAL A 96 -8.079 -12.674 -22.256 1.00 2.33 C ATOM 1555 O VAL A 96 -9.174 -12.690 -22.837 1.00 25.12 O ATOM 1556 CB VAL A 96 -8.047 -14.415 -20.381 1.00 33.14 C ATOM 1557 CG1 VAL A 96 -7.480 -15.782 -19.927 1.00 15.23 C ATOM 1558 CG2 VAL A 96 -7.842 -13.324 -19.297 1.00 62.03 C ATOM 0 H VAL A 96 -5.583 -13.623 -20.833 1.00 74.34 H new ATOM 0 HA VAL A 96 -7.686 -14.759 -22.508 1.00 51.24 H new ATOM 0 HB VAL A 96 -9.124 -14.521 -20.513 1.00 33.14 H new ATOM 0 HG11 VAL A 96 -7.913 -16.054 -18.964 1.00 15.23 H new ATOM 0 HG12 VAL A 96 -7.731 -16.543 -20.665 1.00 15.23 H new ATOM 0 HG13 VAL A 96 -6.396 -15.713 -19.831 1.00 15.23 H new ATOM 0 HG21 VAL A 96 -8.278 -13.660 -18.356 1.00 62.03 H new ATOM 0 HG22 VAL A 96 -6.776 -13.144 -19.159 1.00 62.03 H new ATOM 0 HG23 VAL A 96 -8.328 -12.401 -19.613 1.00 62.03 H new ATOM 1568 N LEU A 97 -7.418 -11.534 -21.985 1.00 12.34 N ATOM 1569 CA LEU A 97 -7.855 -10.216 -22.486 1.00 63.45 C ATOM 1570 C LEU A 97 -7.380 -10.079 -23.938 1.00 1.22 C ATOM 1571 O LEU A 97 -6.172 -10.043 -24.207 1.00 54.32 O ATOM 1572 CB LEU A 97 -7.301 -9.062 -21.576 1.00 21.53 C ATOM 1573 CG LEU A 97 -7.853 -7.595 -21.797 1.00 41.42 C ATOM 1574 CD1 LEU A 97 -7.571 -6.704 -20.563 1.00 13.43 C ATOM 1575 CD2 LEU A 97 -7.277 -6.916 -23.061 1.00 35.42 C ATOM 0 H LEU A 97 -6.572 -11.499 -21.417 1.00 12.34 H new ATOM 0 HA LEU A 97 -8.942 -10.138 -22.454 1.00 63.45 H new ATOM 0 HB2 LEU A 97 -7.494 -9.336 -20.539 1.00 21.53 H new ATOM 0 HB3 LEU A 97 -6.219 -9.031 -21.702 1.00 21.53 H new ATOM 0 HG LEU A 97 -8.929 -7.700 -21.939 1.00 41.42 H new ATOM 0 HD11 LEU A 97 -7.960 -5.702 -20.741 1.00 13.43 H new ATOM 0 HD12 LEU A 97 -8.058 -7.132 -19.686 1.00 13.43 H new ATOM 0 HD13 LEU A 97 -6.496 -6.650 -20.391 1.00 13.43 H new ATOM 0 HD21 LEU A 97 -7.694 -5.913 -23.157 1.00 35.42 H new ATOM 0 HD22 LEU A 97 -6.192 -6.852 -22.977 1.00 35.42 H new ATOM 0 HD23 LEU A 97 -7.539 -7.504 -23.941 1.00 35.42 H new ATOM 1587 N PHE A 98 -8.338 -10.042 -24.865 1.00 4.33 N ATOM 1588 CA PHE A 98 -8.076 -9.789 -26.282 1.00 52.04 C ATOM 1589 C PHE A 98 -8.385 -8.311 -26.566 1.00 53.53 C ATOM 1590 O PHE A 98 -9.542 -7.889 -26.480 1.00 60.33 O ATOM 1591 CB PHE A 98 -8.937 -10.737 -27.155 1.00 73.51 C ATOM 1592 CG PHE A 98 -8.732 -12.216 -26.832 1.00 51.45 C ATOM 1593 CD1 PHE A 98 -7.584 -12.885 -27.256 1.00 71.14 C ATOM 1594 CD2 PHE A 98 -9.673 -12.927 -26.084 1.00 20.02 C ATOM 1595 CE1 PHE A 98 -7.389 -14.219 -26.952 1.00 31.34 C ATOM 1596 CE2 PHE A 98 -9.475 -14.259 -25.784 1.00 32.11 C ATOM 1597 CZ PHE A 98 -8.332 -14.903 -26.213 1.00 3.34 C ATOM 0 H PHE A 98 -9.325 -10.188 -24.652 1.00 4.33 H new ATOM 0 HA PHE A 98 -7.033 -9.987 -26.528 1.00 52.04 H new ATOM 0 HB2 PHE A 98 -9.989 -10.486 -27.021 1.00 73.51 H new ATOM 0 HB3 PHE A 98 -8.700 -10.566 -28.205 1.00 73.51 H new ATOM 0 HD1 PHE A 98 -6.838 -12.354 -27.829 1.00 71.14 H new ATOM 0 HD2 PHE A 98 -10.566 -12.428 -25.736 1.00 20.02 H new ATOM 0 HE1 PHE A 98 -6.498 -14.726 -27.293 1.00 31.34 H new ATOM 0 HE2 PHE A 98 -10.216 -14.799 -25.213 1.00 32.11 H new ATOM 0 HZ PHE A 98 -8.176 -15.944 -25.970 1.00 3.34 H new ATOM 1607 N GLN A 99 -7.336 -7.521 -26.840 1.00 31.40 N ATOM 1608 CA GLN A 99 -7.459 -6.078 -27.125 1.00 4.03 C ATOM 1609 C GLN A 99 -7.252 -5.780 -28.618 1.00 62.04 C ATOM 1610 O GLN A 99 -7.496 -4.653 -29.054 1.00 14.14 O ATOM 1611 CB GLN A 99 -6.474 -5.252 -26.225 1.00 44.32 C ATOM 1612 CG GLN A 99 -5.009 -5.767 -26.147 1.00 53.30 C ATOM 1613 CD GLN A 99 -4.159 -5.526 -27.404 1.00 20.20 C ATOM 1614 OE1 GLN A 99 -4.350 -4.549 -28.131 1.00 62.44 O ATOM 1615 NE2 GLN A 99 -3.217 -6.413 -27.672 1.00 61.13 N ATOM 0 H GLN A 99 -6.375 -7.863 -26.871 1.00 31.40 H new ATOM 0 HA GLN A 99 -8.475 -5.769 -26.879 1.00 4.03 H new ATOM 0 HB2 GLN A 99 -6.456 -4.226 -26.592 1.00 44.32 H new ATOM 0 HB3 GLN A 99 -6.880 -5.222 -25.214 1.00 44.32 H new ATOM 0 HG2 GLN A 99 -4.518 -5.289 -25.300 1.00 53.30 H new ATOM 0 HG3 GLN A 99 -5.028 -6.837 -25.942 1.00 53.30 H new ATOM 0 HE21 GLN A 99 -3.079 -7.213 -27.054 1.00 61.13 H new ATOM 0 HE22 GLN A 99 -2.628 -6.298 -28.497 1.00 61.13 H new ATOM 1624 N GLY A 100 -6.812 -6.789 -29.393 1.00 54.41 N ATOM 1625 CA GLY A 100 -6.533 -6.599 -30.815 1.00 2.30 C ATOM 1626 C GLY A 100 -6.262 -7.914 -31.546 1.00 71.15 C ATOM 1627 O GLY A 100 -7.118 -8.379 -32.307 1.00 32.12 O ATOM 0 H GLY A 100 -6.645 -7.736 -29.054 1.00 54.41 H new ATOM 0 HA2 GLY A 100 -7.380 -6.096 -31.283 1.00 2.30 H new ATOM 0 HA3 GLY A 100 -5.671 -5.942 -30.927 1.00 2.30 H new ATOM 1631 N PRO A 101 -5.064 -8.548 -31.350 1.00 31.42 N ATOM 1632 CA PRO A 101 -4.728 -9.838 -31.995 1.00 43.53 C ATOM 1633 C PRO A 101 -5.288 -11.056 -31.225 1.00 21.21 C ATOM 1634 O PRO A 101 -6.044 -10.897 -30.253 1.00 72.42 O ATOM 1635 CB PRO A 101 -3.182 -9.811 -31.983 1.00 61.22 C ATOM 1636 CG PRO A 101 -2.837 -9.093 -30.714 1.00 4.54 C ATOM 1637 CD PRO A 101 -3.927 -8.051 -30.513 1.00 73.23 C ATOM 0 HA PRO A 101 -5.162 -9.944 -32.989 1.00 43.53 H new ATOM 0 HB2 PRO A 101 -2.766 -10.818 -31.996 1.00 61.22 H new ATOM 0 HB3 PRO A 101 -2.786 -9.291 -32.855 1.00 61.22 H new ATOM 0 HG2 PRO A 101 -2.798 -9.785 -29.872 1.00 4.54 H new ATOM 0 HG3 PRO A 101 -1.856 -8.623 -30.786 1.00 4.54 H new ATOM 0 HD2 PRO A 101 -4.211 -7.968 -29.464 1.00 73.23 H new ATOM 0 HD3 PRO A 101 -3.598 -7.063 -30.834 1.00 73.23 H new ATOM 1645 N SER A 102 -4.913 -12.266 -31.701 1.00 72.13 N ATOM 1646 CA SER A 102 -5.278 -13.565 -31.087 1.00 23.02 C ATOM 1647 C SER A 102 -6.808 -13.822 -31.105 1.00 51.24 C ATOM 1648 O SER A 102 -7.326 -14.648 -30.340 1.00 13.14 O ATOM 1649 CB SER A 102 -4.680 -13.666 -29.661 1.00 74.23 C ATOM 1650 OG SER A 102 -3.272 -13.460 -29.689 1.00 23.43 O ATOM 0 H SER A 102 -4.338 -12.369 -32.537 1.00 72.13 H new ATOM 0 HA SER A 102 -4.843 -14.358 -31.695 1.00 23.02 H new ATOM 0 HB2 SER A 102 -5.148 -12.926 -29.012 1.00 74.23 H new ATOM 0 HB3 SER A 102 -4.901 -14.646 -29.238 1.00 74.23 H new ATOM 0 HG SER A 102 -2.914 -13.526 -28.779 1.00 23.43 H new ATOM 1656 N ALA A 103 -7.505 -13.146 -32.037 1.00 61.01 N ATOM 1657 CA ALA A 103 -8.963 -13.262 -32.218 1.00 71.21 C ATOM 1658 C ALA A 103 -9.313 -13.174 -33.712 1.00 10.52 C ATOM 1659 O ALA A 103 -8.607 -12.497 -34.479 1.00 73.24 O ATOM 1660 CB ALA A 103 -9.689 -12.168 -31.412 1.00 34.24 C ATOM 0 H ALA A 103 -7.067 -12.498 -32.692 1.00 61.01 H new ATOM 0 HA ALA A 103 -9.295 -14.231 -31.845 1.00 71.21 H new ATOM 0 HB1 ALA A 103 -10.765 -12.265 -31.554 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -9.452 -12.278 -30.354 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -9.364 -11.186 -31.757 1.00 34.24 H new ATOM 1666 N GLY A 104 -10.383 -13.891 -34.119 1.00 23.34 N ATOM 1667 CA GLY A 104 -10.877 -13.843 -35.498 1.00 23.45 C ATOM 1668 C GLY A 104 -11.473 -12.484 -35.841 1.00 5.23 C ATOM 1669 O GLY A 104 -11.148 -11.888 -36.879 1.00 20.24 O ATOM 0 H GLY A 104 -10.916 -14.508 -33.506 1.00 23.34 H new ATOM 0 HA2 GLY A 104 -10.060 -14.065 -36.184 1.00 23.45 H new ATOM 0 HA3 GLY A 104 -11.631 -14.617 -35.640 1.00 23.45 H new ATOM 1673 N LEU A 105 -12.351 -11.996 -34.946 1.00 23.11 N ATOM 1674 CA LEU A 105 -12.874 -10.619 -34.995 1.00 73.15 C ATOM 1675 C LEU A 105 -11.833 -9.630 -34.431 1.00 4.24 C ATOM 1676 O LEU A 105 -10.806 -10.052 -33.883 1.00 44.02 O ATOM 1677 CB LEU A 105 -14.254 -10.529 -34.248 1.00 41.45 C ATOM 1678 CG LEU A 105 -14.376 -11.166 -32.810 1.00 14.42 C ATOM 1679 CD1 LEU A 105 -13.637 -10.361 -31.715 1.00 55.24 C ATOM 1680 CD2 LEU A 105 -15.860 -11.375 -32.425 1.00 12.33 C ATOM 0 H LEU A 105 -12.718 -12.545 -34.169 1.00 23.11 H new ATOM 0 HA LEU A 105 -13.054 -10.339 -36.033 1.00 73.15 H new ATOM 0 HB2 LEU A 105 -14.518 -9.475 -34.167 1.00 41.45 H new ATOM 0 HB3 LEU A 105 -15.006 -10.998 -34.883 1.00 41.45 H new ATOM 0 HG LEU A 105 -13.880 -12.135 -32.865 1.00 14.42 H new ATOM 0 HD11 LEU A 105 -13.763 -10.856 -30.752 1.00 55.24 H new ATOM 0 HD12 LEU A 105 -12.576 -10.305 -31.958 1.00 55.24 H new ATOM 0 HD13 LEU A 105 -14.051 -9.354 -31.662 1.00 55.24 H new ATOM 0 HD21 LEU A 105 -15.919 -11.815 -31.430 1.00 12.33 H new ATOM 0 HD22 LEU A 105 -16.375 -10.415 -32.428 1.00 12.33 H new ATOM 0 HD23 LEU A 105 -16.332 -12.043 -33.146 1.00 12.33 H new ATOM 1692 N VAL A 106 -12.086 -8.319 -34.598 1.00 41.34 N ATOM 1693 CA VAL A 106 -11.308 -7.259 -33.936 1.00 0.15 C ATOM 1694 C VAL A 106 -11.967 -6.960 -32.567 1.00 10.40 C ATOM 1695 O VAL A 106 -13.032 -6.331 -32.523 1.00 54.22 O ATOM 1696 CB VAL A 106 -11.237 -5.940 -34.799 1.00 31.33 C ATOM 1697 CG1 VAL A 106 -10.387 -4.849 -34.094 1.00 24.01 C ATOM 1698 CG2 VAL A 106 -10.696 -6.235 -36.219 1.00 4.42 C ATOM 0 H VAL A 106 -12.834 -7.966 -35.195 1.00 41.34 H new ATOM 0 HA VAL A 106 -10.283 -7.607 -33.809 1.00 0.15 H new ATOM 0 HB VAL A 106 -12.252 -5.554 -34.899 1.00 31.33 H new ATOM 0 HG11 VAL A 106 -10.358 -3.953 -34.714 1.00 24.01 H new ATOM 0 HG12 VAL A 106 -10.833 -4.608 -33.129 1.00 24.01 H new ATOM 0 HG13 VAL A 106 -9.373 -5.219 -33.943 1.00 24.01 H new ATOM 0 HG21 VAL A 106 -10.657 -5.309 -36.793 1.00 4.42 H new ATOM 0 HG22 VAL A 106 -9.695 -6.659 -36.146 1.00 4.42 H new ATOM 0 HG23 VAL A 106 -11.355 -6.945 -36.719 1.00 4.42 H new ATOM 1708 N PRO A 107 -11.384 -7.460 -31.433 1.00 15.41 N ATOM 1709 CA PRO A 107 -11.942 -7.241 -30.085 1.00 3.04 C ATOM 1710 C PRO A 107 -11.617 -5.828 -29.555 1.00 33.03 C ATOM 1711 O PRO A 107 -10.451 -5.396 -29.532 1.00 51.41 O ATOM 1712 CB PRO A 107 -11.269 -8.350 -29.250 1.00 74.12 C ATOM 1713 CG PRO A 107 -9.934 -8.554 -29.902 1.00 62.42 C ATOM 1714 CD PRO A 107 -10.143 -8.281 -31.376 1.00 23.44 C ATOM 0 HA PRO A 107 -13.030 -7.292 -30.054 1.00 3.04 H new ATOM 0 HB2 PRO A 107 -11.160 -8.051 -28.208 1.00 74.12 H new ATOM 0 HB3 PRO A 107 -11.859 -9.266 -29.259 1.00 74.12 H new ATOM 0 HG2 PRO A 107 -9.188 -7.879 -29.482 1.00 62.42 H new ATOM 0 HG3 PRO A 107 -9.572 -9.570 -29.741 1.00 62.42 H new ATOM 0 HD2 PRO A 107 -9.295 -7.748 -31.805 1.00 23.44 H new ATOM 0 HD3 PRO A 107 -10.254 -9.208 -31.939 1.00 23.44 H new ATOM 1722 N ARG A 108 -12.667 -5.109 -29.151 1.00 40.51 N ATOM 1723 CA ARG A 108 -12.559 -3.741 -28.628 1.00 74.53 C ATOM 1724 C ARG A 108 -13.760 -3.484 -27.708 1.00 64.20 C ATOM 1725 O ARG A 108 -14.413 -2.426 -27.755 1.00 63.25 O ATOM 1726 CB ARG A 108 -12.479 -2.731 -29.813 1.00 35.42 C ATOM 1727 CG ARG A 108 -11.902 -1.341 -29.467 1.00 24.53 C ATOM 1728 CD ARG A 108 -10.490 -1.418 -28.843 1.00 4.01 C ATOM 1729 NE ARG A 108 -9.585 -2.335 -29.580 1.00 60.33 N ATOM 1730 CZ ARG A 108 -8.727 -1.983 -30.553 1.00 74.10 C ATOM 1731 NH1 ARG A 108 -8.605 -0.719 -30.951 1.00 75.33 N ATOM 1732 NH2 ARG A 108 -7.967 -2.913 -31.109 1.00 42.45 N ATOM 0 H ARG A 108 -13.624 -5.461 -29.177 1.00 40.51 H new ATOM 0 HA ARG A 108 -11.648 -3.609 -28.043 1.00 74.53 H new ATOM 0 HB2 ARG A 108 -11.869 -3.172 -30.602 1.00 35.42 H new ATOM 0 HB3 ARG A 108 -13.481 -2.597 -30.221 1.00 35.42 H new ATOM 0 HG2 ARG A 108 -11.862 -0.734 -30.371 1.00 24.53 H new ATOM 0 HG3 ARG A 108 -12.574 -0.836 -28.773 1.00 24.53 H new ATOM 0 HD2 ARG A 108 -10.052 -0.420 -28.823 1.00 4.01 H new ATOM 0 HD3 ARG A 108 -10.573 -1.750 -27.808 1.00 4.01 H new ATOM 0 HE ARG A 108 -9.617 -3.322 -29.325 1.00 60.33 H new ATOM 0 HH11 ARG A 108 -9.170 0.010 -30.515 1.00 75.33 H new ATOM 0 HH12 ARG A 108 -7.946 -0.479 -31.692 1.00 75.33 H new ATOM 0 HH21 ARG A 108 -8.037 -3.882 -30.798 1.00 42.45 H new ATOM 0 HH22 ARG A 108 -7.311 -2.661 -31.848 1.00 42.45 H new ATOM 1746 N GLY A 109 -14.030 -4.500 -26.860 1.00 53.31 N ATOM 1747 CA GLY A 109 -15.065 -4.432 -25.838 1.00 60.22 C ATOM 1748 C GLY A 109 -14.832 -3.306 -24.843 1.00 42.24 C ATOM 1749 O GLY A 109 -15.788 -2.798 -24.257 1.00 11.53 O ATOM 0 H GLY A 109 -13.528 -5.388 -26.875 1.00 53.31 H new ATOM 0 HA2 GLY A 109 -16.034 -4.294 -26.317 1.00 60.22 H new ATOM 0 HA3 GLY A 109 -15.106 -5.381 -25.304 1.00 60.22 H new ATOM 1753 N SER A 110 -13.534 -2.937 -24.662 1.00 32.44 N ATOM 1754 CA SER A 110 -13.079 -1.799 -23.822 1.00 31.45 C ATOM 1755 C SER A 110 -13.677 -1.852 -22.392 1.00 2.10 C ATOM 1756 O SER A 110 -13.886 -0.821 -21.744 1.00 1.35 O ATOM 1757 CB SER A 110 -13.359 -0.437 -24.544 1.00 51.24 C ATOM 1758 OG SER A 110 -14.727 -0.269 -24.886 1.00 23.42 O ATOM 0 H SER A 110 -12.761 -3.434 -25.106 1.00 32.44 H new ATOM 0 HA SER A 110 -12.000 -1.885 -23.693 1.00 31.45 H new ATOM 0 HB2 SER A 110 -13.047 0.383 -23.897 1.00 51.24 H new ATOM 0 HB3 SER A 110 -12.753 -0.378 -25.448 1.00 51.24 H new ATOM 0 HG SER A 110 -14.849 0.595 -25.332 1.00 23.42 H new ATOM 1764 N GLY A 111 -13.891 -3.092 -21.902 1.00 13.11 N ATOM 1765 CA GLY A 111 -14.547 -3.338 -20.616 1.00 14.12 C ATOM 1766 C GLY A 111 -16.066 -3.432 -20.761 1.00 0.13 C ATOM 1767 O GLY A 111 -16.815 -2.837 -19.974 1.00 30.21 O ATOM 0 H GLY A 111 -13.612 -3.943 -22.391 1.00 13.11 H new ATOM 0 HA2 GLY A 111 -14.165 -4.263 -20.185 1.00 14.12 H new ATOM 0 HA3 GLY A 111 -14.297 -2.536 -19.922 1.00 14.12 H new ATOM 1771 N GLY A 112 -16.510 -4.190 -21.784 1.00 51.22 N ATOM 1772 CA GLY A 112 -17.929 -4.363 -22.080 1.00 22.34 C ATOM 1773 C GLY A 112 -18.148 -5.343 -23.227 1.00 45.05 C ATOM 1774 O GLY A 112 -18.629 -4.962 -24.299 1.00 14.41 O ATOM 0 H GLY A 112 -15.891 -4.693 -22.420 1.00 51.22 H new ATOM 0 HA2 GLY A 112 -18.446 -4.722 -21.190 1.00 22.34 H new ATOM 0 HA3 GLY A 112 -18.368 -3.399 -22.336 1.00 22.34 H new ATOM 1778 N ILE A 113 -17.767 -6.613 -22.998 1.00 61.21 N ATOM 1779 CA ILE A 113 -17.872 -7.696 -24.001 1.00 42.54 C ATOM 1780 C ILE A 113 -19.118 -8.564 -23.678 1.00 50.33 C ATOM 1781 O ILE A 113 -19.500 -8.676 -22.514 1.00 42.21 O ATOM 1782 CB ILE A 113 -16.570 -8.617 -24.027 1.00 40.12 C ATOM 1783 CG1 ILE A 113 -15.235 -7.789 -24.145 1.00 33.25 C ATOM 1784 CG2 ILE A 113 -16.653 -9.656 -25.178 1.00 22.33 C ATOM 1785 CD1 ILE A 113 -14.721 -7.167 -22.848 1.00 23.53 C ATOM 0 H ILE A 113 -17.375 -6.921 -22.108 1.00 61.21 H new ATOM 0 HA ILE A 113 -17.968 -7.238 -24.985 1.00 42.54 H new ATOM 0 HB ILE A 113 -16.543 -9.137 -23.069 1.00 40.12 H new ATOM 0 HG12 ILE A 113 -14.459 -8.442 -24.545 1.00 33.25 H new ATOM 0 HG13 ILE A 113 -15.387 -6.992 -24.873 1.00 33.25 H new ATOM 0 HG21 ILE A 113 -15.755 -10.273 -25.177 1.00 22.33 H new ATOM 0 HG22 ILE A 113 -17.528 -10.289 -25.034 1.00 22.33 H new ATOM 0 HG23 ILE A 113 -16.734 -9.136 -26.132 1.00 22.33 H new ATOM 0 HD11 ILE A 113 -13.799 -6.621 -23.047 1.00 23.53 H new ATOM 0 HD12 ILE A 113 -15.470 -6.481 -22.451 1.00 23.53 H new ATOM 0 HD13 ILE A 113 -14.527 -7.954 -22.119 1.00 23.53 H new ATOM 1797 N GLU A 114 -19.755 -9.166 -24.702 1.00 53.33 N ATOM 1798 CA GLU A 114 -20.907 -10.078 -24.500 1.00 71.13 C ATOM 1799 C GLU A 114 -20.406 -11.525 -24.261 1.00 70.22 C ATOM 1800 O GLU A 114 -19.893 -12.189 -25.171 1.00 43.10 O ATOM 1801 CB GLU A 114 -21.948 -9.998 -25.677 1.00 11.30 C ATOM 1802 CG GLU A 114 -21.456 -10.361 -27.102 1.00 53.52 C ATOM 1803 CD GLU A 114 -20.445 -9.362 -27.688 1.00 32.55 C ATOM 1804 OE1 GLU A 114 -19.222 -9.615 -27.621 1.00 31.20 O ATOM 1805 OE2 GLU A 114 -20.867 -8.296 -28.184 1.00 61.32 O ATOM 0 H GLU A 114 -19.493 -9.039 -25.680 1.00 53.33 H new ATOM 0 HA GLU A 114 -21.442 -9.751 -23.609 1.00 71.13 H new ATOM 0 HB2 GLU A 114 -22.782 -10.656 -25.432 1.00 11.30 H new ATOM 0 HB3 GLU A 114 -22.342 -8.982 -25.707 1.00 11.30 H new ATOM 0 HG2 GLU A 114 -21.000 -11.351 -27.077 1.00 53.52 H new ATOM 0 HG3 GLU A 114 -22.317 -10.423 -27.768 1.00 53.52 H new ATOM 1812 N GLY A 115 -20.497 -11.972 -22.997 1.00 55.22 N ATOM 1813 CA GLY A 115 -20.136 -13.340 -22.608 1.00 32.04 C ATOM 1814 C GLY A 115 -19.532 -13.398 -21.212 1.00 32.12 C ATOM 1815 O GLY A 115 -19.415 -12.366 -20.529 1.00 2.11 O ATOM 0 H GLY A 115 -20.822 -11.395 -22.221 1.00 55.22 H new ATOM 0 HA2 GLY A 115 -21.023 -13.973 -22.645 1.00 32.04 H new ATOM 0 HA3 GLY A 115 -19.424 -13.745 -23.327 1.00 32.04 H new ATOM 1819 N SER A 428 -19.142 -14.617 -20.799 1.00 74.53 N ATOM 1820 CA SER A 428 -18.435 -14.862 -19.525 1.00 40.14 C ATOM 1821 C SER A 428 -16.980 -14.343 -19.610 1.00 11.20 C ATOM 1822 O SER A 428 -16.337 -14.113 -18.581 1.00 40.45 O ATOM 1823 CB SER A 428 -18.464 -16.377 -19.184 1.00 43.30 C ATOM 1824 OG SER A 428 -17.924 -16.652 -17.896 1.00 64.02 O ATOM 0 H SER A 428 -19.308 -15.465 -21.341 1.00 74.53 H new ATOM 0 HA SER A 428 -18.942 -14.320 -18.727 1.00 40.14 H new ATOM 0 HB2 SER A 428 -19.492 -16.738 -19.229 1.00 43.30 H new ATOM 0 HB3 SER A 428 -17.900 -16.927 -19.937 1.00 43.30 H new ATOM 0 HG SER A 428 -17.964 -17.616 -17.724 1.00 64.02 H new ATOM 1830 N ILE A 429 -16.487 -14.170 -20.861 1.00 63.41 N ATOM 1831 CA ILE A 429 -15.159 -13.594 -21.153 1.00 14.32 C ATOM 1832 C ILE A 429 -15.011 -12.198 -20.510 1.00 75.51 C ATOM 1833 O ILE A 429 -13.985 -11.917 -19.895 1.00 61.23 O ATOM 1834 CB ILE A 429 -14.876 -13.574 -22.721 1.00 20.44 C ATOM 1835 CG1 ILE A 429 -13.463 -12.968 -23.115 1.00 45.22 C ATOM 1836 CG2 ILE A 429 -16.020 -12.886 -23.498 1.00 15.21 C ATOM 1837 CD1 ILE A 429 -13.378 -11.448 -23.310 1.00 51.20 C ATOM 0 H ILE A 429 -17.007 -14.430 -21.699 1.00 63.41 H new ATOM 0 HA ILE A 429 -14.399 -14.233 -20.704 1.00 14.32 H new ATOM 0 HB ILE A 429 -14.840 -14.622 -23.020 1.00 20.44 H new ATOM 0 HG12 ILE A 429 -12.748 -13.249 -22.342 1.00 45.22 H new ATOM 0 HG13 ILE A 429 -13.137 -13.445 -24.039 1.00 45.22 H new ATOM 0 HG21 ILE A 429 -15.791 -12.892 -24.564 1.00 15.21 H new ATOM 0 HG22 ILE A 429 -16.952 -13.423 -23.324 1.00 15.21 H new ATOM 0 HG23 ILE A 429 -16.125 -11.857 -23.155 1.00 15.21 H new ATOM 0 HD11 ILE A 429 -12.358 -11.172 -23.576 1.00 51.20 H new ATOM 0 HD12 ILE A 429 -14.056 -11.145 -24.108 1.00 51.20 H new ATOM 0 HD13 ILE A 429 -13.660 -10.946 -22.385 1.00 51.20 H new ATOM 1849 N ASP A 430 -16.067 -11.363 -20.616 1.00 60.54 N ATOM 1850 CA ASP A 430 -16.087 -10.001 -20.039 1.00 44.52 C ATOM 1851 C ASP A 430 -15.828 -10.041 -18.533 1.00 65.11 C ATOM 1852 O ASP A 430 -14.954 -9.344 -18.034 1.00 22.11 O ATOM 1853 CB ASP A 430 -17.450 -9.318 -20.298 1.00 73.12 C ATOM 1854 CG ASP A 430 -17.589 -7.930 -19.623 1.00 22.12 C ATOM 1855 OD1 ASP A 430 -16.914 -6.975 -20.065 1.00 40.55 O ATOM 1856 OD2 ASP A 430 -18.389 -7.787 -18.663 1.00 55.42 O ATOM 0 H ASP A 430 -16.928 -11.613 -21.103 1.00 60.54 H new ATOM 0 HA ASP A 430 -15.296 -9.429 -20.523 1.00 44.52 H new ATOM 0 HB2 ASP A 430 -17.592 -9.205 -21.373 1.00 73.12 H new ATOM 0 HB3 ASP A 430 -18.247 -9.969 -19.938 1.00 73.12 H new ATOM 1861 N GLU A 431 -16.588 -10.907 -17.851 1.00 23.43 N ATOM 1862 CA GLU A 431 -16.603 -11.001 -16.388 1.00 44.20 C ATOM 1863 C GLU A 431 -15.251 -11.487 -15.846 1.00 3.23 C ATOM 1864 O GLU A 431 -14.642 -10.792 -15.032 1.00 75.51 O ATOM 1865 CB GLU A 431 -17.774 -11.918 -15.949 1.00 52.41 C ATOM 1866 CG GLU A 431 -19.165 -11.337 -16.291 1.00 74.34 C ATOM 1867 CD GLU A 431 -20.306 -12.360 -16.199 1.00 43.53 C ATOM 1868 OE1 GLU A 431 -20.711 -12.907 -17.248 1.00 25.40 O ATOM 1869 OE2 GLU A 431 -20.801 -12.628 -15.082 1.00 72.41 O ATOM 0 H GLU A 431 -17.217 -11.569 -18.306 1.00 23.43 H new ATOM 0 HA GLU A 431 -16.762 -10.010 -15.963 1.00 44.20 H new ATOM 0 HB2 GLU A 431 -17.665 -12.890 -16.430 1.00 52.41 H new ATOM 0 HB3 GLU A 431 -17.712 -12.086 -14.874 1.00 52.41 H new ATOM 0 HG2 GLU A 431 -19.378 -10.508 -15.616 1.00 74.34 H new ATOM 0 HG3 GLU A 431 -19.138 -10.927 -17.301 1.00 74.34 H new ATOM 1876 N THR A 432 -14.758 -12.642 -16.341 1.00 63.01 N ATOM 1877 CA THR A 432 -13.503 -13.247 -15.841 1.00 0.23 C ATOM 1878 C THR A 432 -12.280 -12.327 -16.095 1.00 52.11 C ATOM 1879 O THR A 432 -11.409 -12.178 -15.218 1.00 62.13 O ATOM 1880 CB THR A 432 -13.267 -14.681 -16.434 1.00 42.04 C ATOM 1881 OG1 THR A 432 -12.119 -15.290 -15.818 1.00 12.22 O ATOM 1882 CG2 THR A 432 -13.088 -14.672 -17.967 1.00 34.13 C ATOM 0 H THR A 432 -15.208 -13.174 -17.085 1.00 63.01 H new ATOM 0 HA THR A 432 -13.614 -13.355 -14.762 1.00 0.23 H new ATOM 0 HB THR A 432 -14.163 -15.262 -16.215 1.00 42.04 H new ATOM 0 HG1 THR A 432 -11.982 -16.184 -16.194 1.00 12.22 H new ATOM 0 HG21 THR A 432 -12.928 -15.691 -18.321 1.00 34.13 H new ATOM 0 HG22 THR A 432 -13.982 -14.261 -18.435 1.00 34.13 H new ATOM 0 HG23 THR A 432 -12.227 -14.058 -18.229 1.00 34.13 H new ATOM 1890 N VAL A 433 -12.250 -11.669 -17.277 1.00 34.54 N ATOM 1891 CA VAL A 433 -11.211 -10.679 -17.613 1.00 40.42 C ATOM 1892 C VAL A 433 -11.314 -9.464 -16.675 1.00 32.32 C ATOM 1893 O VAL A 433 -10.313 -9.035 -16.114 1.00 53.52 O ATOM 1894 CB VAL A 433 -11.307 -10.230 -19.123 1.00 60.12 C ATOM 1895 CG1 VAL A 433 -10.420 -9.001 -19.428 1.00 32.03 C ATOM 1896 CG2 VAL A 433 -10.949 -11.404 -20.067 1.00 44.32 C ATOM 0 H VAL A 433 -12.940 -11.810 -18.015 1.00 34.54 H new ATOM 0 HA VAL A 433 -10.238 -11.150 -17.474 1.00 40.42 H new ATOM 0 HB VAL A 433 -12.341 -9.934 -19.302 1.00 60.12 H new ATOM 0 HG11 VAL A 433 -10.521 -8.731 -20.479 1.00 32.03 H new ATOM 0 HG12 VAL A 433 -10.734 -8.162 -18.806 1.00 32.03 H new ATOM 0 HG13 VAL A 433 -9.379 -9.242 -19.214 1.00 32.03 H new ATOM 0 HG21 VAL A 433 -11.021 -11.073 -21.103 1.00 44.32 H new ATOM 0 HG22 VAL A 433 -9.932 -11.738 -19.863 1.00 44.32 H new ATOM 0 HG23 VAL A 433 -11.642 -12.229 -19.900 1.00 44.32 H new ATOM 1906 N ALA A 434 -12.550 -8.967 -16.474 1.00 2.13 N ATOM 1907 CA ALA A 434 -12.830 -7.784 -15.634 1.00 70.45 C ATOM 1908 C ALA A 434 -12.468 -8.031 -14.164 1.00 3.22 C ATOM 1909 O ALA A 434 -12.107 -7.095 -13.449 1.00 35.43 O ATOM 1910 CB ALA A 434 -14.306 -7.380 -15.749 1.00 1.30 C ATOM 0 H ALA A 434 -13.386 -9.376 -16.891 1.00 2.13 H new ATOM 0 HA ALA A 434 -12.205 -6.970 -16.001 1.00 70.45 H new ATOM 0 HB1 ALA A 434 -14.494 -6.507 -15.124 1.00 1.30 H new ATOM 0 HB2 ALA A 434 -14.538 -7.140 -16.787 1.00 1.30 H new ATOM 0 HB3 ALA A 434 -14.936 -8.206 -15.418 1.00 1.30 H new ATOM 1916 N ARG A 435 -12.579 -9.298 -13.724 1.00 52.33 N ATOM 1917 CA ARG A 435 -12.237 -9.694 -12.352 1.00 73.54 C ATOM 1918 C ARG A 435 -10.724 -9.601 -12.143 1.00 34.34 C ATOM 1919 O ARG A 435 -10.265 -8.887 -11.252 1.00 33.34 O ATOM 1920 CB ARG A 435 -12.747 -11.128 -12.042 1.00 50.45 C ATOM 1921 CG ARG A 435 -14.285 -11.275 -11.997 1.00 70.25 C ATOM 1922 CD ARG A 435 -14.953 -10.347 -10.963 1.00 45.44 C ATOM 1923 NE ARG A 435 -16.426 -10.417 -11.023 1.00 22.12 N ATOM 1924 CZ ARG A 435 -17.226 -9.546 -11.671 1.00 41.22 C ATOM 1925 NH1 ARG A 435 -16.714 -8.511 -12.333 1.00 53.42 N ATOM 1926 NH2 ARG A 435 -18.536 -9.706 -11.636 1.00 1.44 N ATOM 0 H ARG A 435 -12.906 -10.068 -14.307 1.00 52.33 H new ATOM 0 HA ARG A 435 -12.730 -9.010 -11.662 1.00 73.54 H new ATOM 0 HB2 ARG A 435 -12.353 -11.809 -12.796 1.00 50.45 H new ATOM 0 HB3 ARG A 435 -12.338 -11.444 -11.082 1.00 50.45 H new ATOM 0 HG2 ARG A 435 -14.693 -11.061 -12.985 1.00 70.25 H new ATOM 0 HG3 ARG A 435 -14.538 -12.309 -11.765 1.00 70.25 H new ATOM 0 HD2 ARG A 435 -14.618 -10.620 -9.962 1.00 45.44 H new ATOM 0 HD3 ARG A 435 -14.632 -9.320 -11.138 1.00 45.44 H new ATOM 0 HE ARG A 435 -16.877 -11.189 -10.533 1.00 22.12 H new ATOM 0 HH11 ARG A 435 -15.704 -8.369 -12.355 1.00 53.42 H new ATOM 0 HH12 ARG A 435 -17.331 -7.860 -12.819 1.00 53.42 H new ATOM 0 HH21 ARG A 435 -18.941 -10.487 -11.120 1.00 1.44 H new ATOM 0 HH22 ARG A 435 -19.143 -9.049 -12.125 1.00 1.44 H new ATOM 1940 N TYR A 436 -9.954 -10.301 -12.998 1.00 4.04 N ATOM 1941 CA TYR A 436 -8.479 -10.314 -12.900 1.00 24.42 C ATOM 1942 C TYR A 436 -7.875 -8.927 -13.206 1.00 72.55 C ATOM 1943 O TYR A 436 -6.840 -8.570 -12.645 1.00 74.34 O ATOM 1944 CB TYR A 436 -7.873 -11.407 -13.822 1.00 31.44 C ATOM 1945 CG TYR A 436 -8.273 -12.839 -13.423 1.00 12.23 C ATOM 1946 CD1 TYR A 436 -8.087 -13.299 -12.114 1.00 54.51 C ATOM 1947 CD2 TYR A 436 -8.833 -13.730 -14.343 1.00 52.41 C ATOM 1948 CE1 TYR A 436 -8.446 -14.581 -11.744 1.00 23.10 C ATOM 1949 CE2 TYR A 436 -9.191 -15.013 -13.971 1.00 33.34 C ATOM 1950 CZ TYR A 436 -8.996 -15.432 -12.672 1.00 15.33 C ATOM 1951 OH TYR A 436 -9.354 -16.712 -12.302 1.00 1.33 O ATOM 0 H TYR A 436 -10.326 -10.864 -13.763 1.00 4.04 H new ATOM 0 HA TYR A 436 -8.219 -10.558 -11.870 1.00 24.42 H new ATOM 0 HB2 TYR A 436 -8.191 -11.222 -14.848 1.00 31.44 H new ATOM 0 HB3 TYR A 436 -6.786 -11.324 -13.805 1.00 31.44 H new ATOM 0 HD1 TYR A 436 -7.654 -12.638 -11.378 1.00 54.51 H new ATOM 0 HD2 TYR A 436 -8.989 -13.411 -15.363 1.00 52.41 H new ATOM 0 HE1 TYR A 436 -8.295 -14.913 -10.728 1.00 23.10 H new ATOM 0 HE2 TYR A 436 -9.623 -15.686 -14.697 1.00 33.34 H new ATOM 0 HH TYR A 436 -9.729 -17.183 -13.075 1.00 1.33 H new ATOM 1961 N LYS A 437 -8.558 -8.146 -14.071 1.00 61.41 N ATOM 1962 CA LYS A 437 -8.104 -6.799 -14.481 1.00 72.02 C ATOM 1963 C LYS A 437 -8.319 -5.792 -13.344 1.00 33.25 C ATOM 1964 O LYS A 437 -7.439 -4.975 -13.064 1.00 31.34 O ATOM 1965 CB LYS A 437 -8.830 -6.336 -15.779 1.00 65.14 C ATOM 1966 CG LYS A 437 -8.370 -4.963 -16.325 1.00 32.52 C ATOM 1967 CD LYS A 437 -9.016 -4.606 -17.685 1.00 13.22 C ATOM 1968 CE LYS A 437 -8.558 -3.234 -18.220 1.00 53.52 C ATOM 1969 NZ LYS A 437 -7.069 -3.137 -18.346 1.00 3.23 N ATOM 0 H LYS A 437 -9.437 -8.430 -14.504 1.00 61.41 H new ATOM 0 HA LYS A 437 -7.037 -6.849 -14.697 1.00 72.02 H new ATOM 0 HB2 LYS A 437 -8.677 -7.089 -16.552 1.00 65.14 H new ATOM 0 HB3 LYS A 437 -9.902 -6.293 -15.584 1.00 65.14 H new ATOM 0 HG2 LYS A 437 -8.615 -4.189 -15.598 1.00 32.52 H new ATOM 0 HG3 LYS A 437 -7.285 -4.966 -16.434 1.00 32.52 H new ATOM 0 HD2 LYS A 437 -8.767 -5.377 -18.414 1.00 13.22 H new ATOM 0 HD3 LYS A 437 -10.101 -4.606 -17.578 1.00 13.22 H new ATOM 0 HE2 LYS A 437 -9.014 -3.056 -19.194 1.00 53.52 H new ATOM 0 HE3 LYS A 437 -8.915 -2.450 -17.553 1.00 53.52 H new ATOM 0 HZ1 LYS A 437 -6.819 -2.253 -18.834 1.00 3.23 H new ATOM 0 HZ2 LYS A 437 -6.639 -3.144 -17.399 1.00 3.23 H new ATOM 0 HZ3 LYS A 437 -6.713 -3.947 -18.893 1.00 3.23 H new ATOM 1983 N ALA A 438 -9.492 -5.868 -12.683 1.00 4.33 N ATOM 1984 CA ALA A 438 -9.821 -4.992 -11.543 1.00 74.12 C ATOM 1985 C ALA A 438 -8.890 -5.276 -10.356 1.00 33.23 C ATOM 1986 O ALA A 438 -8.303 -4.352 -9.795 1.00 0.02 O ATOM 1987 CB ALA A 438 -11.290 -5.155 -11.126 1.00 71.42 C ATOM 0 H ALA A 438 -10.230 -6.531 -12.922 1.00 4.33 H new ATOM 0 HA ALA A 438 -9.673 -3.960 -11.860 1.00 74.12 H new ATOM 0 HB1 ALA A 438 -11.504 -4.497 -10.284 1.00 71.42 H new ATOM 0 HB2 ALA A 438 -11.937 -4.894 -11.964 1.00 71.42 H new ATOM 0 HB3 ALA A 438 -11.473 -6.189 -10.834 1.00 71.42 H new ATOM 1993 N GLN A 439 -8.737 -6.576 -10.010 1.00 44.32 N ATOM 1994 CA GLN A 439 -7.869 -7.010 -8.895 1.00 71.42 C ATOM 1995 C GLN A 439 -6.409 -6.601 -9.141 1.00 71.52 C ATOM 1996 O GLN A 439 -5.717 -6.168 -8.214 1.00 61.43 O ATOM 1997 CB GLN A 439 -7.955 -8.543 -8.669 1.00 44.21 C ATOM 1998 CG GLN A 439 -9.336 -9.068 -8.232 1.00 14.35 C ATOM 1999 CD GLN A 439 -9.931 -8.326 -7.037 1.00 30.42 C ATOM 2000 OE1 GLN A 439 -10.788 -7.353 -7.304 1.00 20.22 O flip ATOM 2001 NE2 GLN A 439 -9.658 -8.655 -5.882 1.00 4.32 N flip ATOM 0 H GLN A 439 -9.206 -7.343 -10.491 1.00 44.32 H new ATOM 0 HA GLN A 439 -8.229 -6.510 -7.996 1.00 71.42 H new ATOM 0 HB2 GLN A 439 -7.669 -9.046 -9.593 1.00 44.21 H new ATOM 0 HB3 GLN A 439 -7.222 -8.824 -7.913 1.00 44.21 H new ATOM 0 HG2 GLN A 439 -10.025 -8.993 -9.073 1.00 14.35 H new ATOM 0 HG3 GLN A 439 -9.250 -10.126 -7.984 1.00 14.35 H new ATOM 0 HE21 GLN A 439 -8.993 -9.409 -5.710 1.00 4.32 H new ATOM 0 HE22 GLN A 439 -10.097 -8.173 -5.097 1.00 4.32 H new ATOM 2010 N PHE A 440 -5.959 -6.736 -10.407 1.00 33.44 N ATOM 2011 CA PHE A 440 -4.626 -6.282 -10.827 1.00 4.15 C ATOM 2012 C PHE A 440 -4.481 -4.780 -10.535 1.00 24.01 C ATOM 2013 O PHE A 440 -3.659 -4.390 -9.722 1.00 53.13 O ATOM 2014 CB PHE A 440 -4.387 -6.574 -12.333 1.00 34.44 C ATOM 2015 CG PHE A 440 -2.993 -6.197 -12.844 1.00 10.43 C ATOM 2016 CD1 PHE A 440 -1.913 -7.062 -12.675 1.00 70.01 C ATOM 2017 CD2 PHE A 440 -2.760 -4.975 -13.485 1.00 53.34 C ATOM 2018 CE1 PHE A 440 -0.652 -6.719 -13.126 1.00 3.30 C ATOM 2019 CE2 PHE A 440 -1.496 -4.638 -13.935 1.00 13.43 C ATOM 2020 CZ PHE A 440 -0.445 -5.511 -13.754 1.00 53.23 C ATOM 0 H PHE A 440 -6.507 -7.159 -11.156 1.00 33.44 H new ATOM 0 HA PHE A 440 -3.873 -6.831 -10.262 1.00 4.15 H new ATOM 0 HB2 PHE A 440 -4.550 -7.636 -12.514 1.00 34.44 H new ATOM 0 HB3 PHE A 440 -5.132 -6.033 -12.917 1.00 34.44 H new ATOM 0 HD1 PHE A 440 -2.063 -8.013 -12.185 1.00 70.01 H new ATOM 0 HD2 PHE A 440 -3.578 -4.285 -13.630 1.00 53.34 H new ATOM 0 HE1 PHE A 440 0.174 -7.401 -12.985 1.00 3.30 H new ATOM 0 HE2 PHE A 440 -1.333 -3.691 -14.428 1.00 13.43 H new ATOM 0 HZ PHE A 440 0.542 -5.248 -14.105 1.00 53.23 H new ATOM 2030 N THR A 441 -5.372 -3.979 -11.139 1.00 51.30 N ATOM 2031 CA THR A 441 -5.317 -2.504 -11.106 1.00 35.13 C ATOM 2032 C THR A 441 -5.389 -1.932 -9.665 1.00 52.31 C ATOM 2033 O THR A 441 -4.755 -0.921 -9.369 1.00 2.02 O ATOM 2034 CB THR A 441 -6.469 -1.925 -11.994 1.00 52.43 C ATOM 2035 OG1 THR A 441 -6.322 -2.420 -13.335 1.00 3.23 O ATOM 2036 CG2 THR A 441 -6.492 -0.385 -12.032 1.00 24.14 C ATOM 0 H THR A 441 -6.163 -4.340 -11.672 1.00 51.30 H new ATOM 0 HA THR A 441 -4.351 -2.197 -11.506 1.00 35.13 H new ATOM 0 HB THR A 441 -7.409 -2.251 -11.548 1.00 52.43 H new ATOM 0 HG1 THR A 441 -6.679 -3.331 -13.388 1.00 3.23 H new ATOM 0 HG21 THR A 441 -7.314 -0.049 -12.664 1.00 24.14 H new ATOM 0 HG22 THR A 441 -6.630 0.002 -11.022 1.00 24.14 H new ATOM 0 HG23 THR A 441 -5.549 -0.017 -12.436 1.00 24.14 H new ATOM 2044 N GLN A 442 -6.133 -2.615 -8.781 1.00 11.11 N ATOM 2045 CA GLN A 442 -6.321 -2.200 -7.371 1.00 24.31 C ATOM 2046 C GLN A 442 -5.064 -2.491 -6.525 1.00 41.31 C ATOM 2047 O GLN A 442 -4.576 -1.611 -5.816 1.00 24.25 O ATOM 2048 CB GLN A 442 -7.574 -2.898 -6.788 1.00 55.45 C ATOM 2049 CG GLN A 442 -8.904 -2.409 -7.412 1.00 34.25 C ATOM 2050 CD GLN A 442 -10.136 -3.252 -7.043 1.00 14.13 C ATOM 2051 OE1 GLN A 442 -9.962 -4.562 -6.900 1.00 14.45 O flip ATOM 2052 NE2 GLN A 442 -11.253 -2.733 -6.946 1.00 64.35 N flip ATOM 0 H GLN A 442 -6.626 -3.476 -9.020 1.00 11.11 H new ATOM 0 HA GLN A 442 -6.476 -1.122 -7.340 1.00 24.31 H new ATOM 0 HB2 GLN A 442 -7.485 -3.973 -6.941 1.00 55.45 H new ATOM 0 HB3 GLN A 442 -7.605 -2.731 -5.711 1.00 55.45 H new ATOM 0 HG2 GLN A 442 -9.079 -1.379 -7.100 1.00 34.25 H new ATOM 0 HG3 GLN A 442 -8.799 -2.400 -8.497 1.00 34.25 H new ATOM 0 HE21 GLN A 442 -11.359 -1.725 -7.060 1.00 64.35 H new ATOM 0 HE22 GLN A 442 -12.070 -3.313 -6.752 1.00 64.35 H new ATOM 2061 N LEU A 443 -4.523 -3.720 -6.632 1.00 4.11 N ATOM 2062 CA LEU A 443 -3.258 -4.102 -5.949 1.00 0.31 C ATOM 2063 C LEU A 443 -2.045 -3.359 -6.591 1.00 42.34 C ATOM 2064 O LEU A 443 -1.001 -3.189 -5.950 1.00 51.51 O ATOM 2065 CB LEU A 443 -3.047 -5.658 -5.987 1.00 33.35 C ATOM 2066 CG LEU A 443 -3.856 -6.544 -4.964 1.00 32.11 C ATOM 2067 CD1 LEU A 443 -5.381 -6.352 -5.069 1.00 13.53 C ATOM 2068 CD2 LEU A 443 -3.486 -8.044 -5.129 1.00 51.11 C ATOM 0 H LEU A 443 -4.938 -4.471 -7.184 1.00 4.11 H new ATOM 0 HA LEU A 443 -3.329 -3.801 -4.904 1.00 0.31 H new ATOM 0 HB2 LEU A 443 -3.291 -6.003 -6.992 1.00 33.35 H new ATOM 0 HB3 LEU A 443 -1.986 -5.854 -5.831 1.00 33.35 H new ATOM 0 HG LEU A 443 -3.567 -6.207 -3.968 1.00 32.11 H new ATOM 0 HD11 LEU A 443 -5.879 -6.990 -4.339 1.00 13.53 H new ATOM 0 HD12 LEU A 443 -5.631 -5.310 -4.871 1.00 13.53 H new ATOM 0 HD13 LEU A 443 -5.713 -6.621 -6.072 1.00 13.53 H new ATOM 0 HD21 LEU A 443 -4.054 -8.640 -4.415 1.00 51.11 H new ATOM 0 HD22 LEU A 443 -3.724 -8.368 -6.142 1.00 51.11 H new ATOM 0 HD23 LEU A 443 -2.420 -8.178 -4.946 1.00 51.11 H new ATOM 2080 N ASP A 444 -2.222 -2.907 -7.854 1.00 24.35 N ATOM 2081 CA ASP A 444 -1.186 -2.196 -8.649 1.00 33.22 C ATOM 2082 C ASP A 444 -1.115 -0.709 -8.275 1.00 34.44 C ATOM 2083 O ASP A 444 -0.020 -0.149 -8.153 1.00 32.24 O ATOM 2084 CB ASP A 444 -1.478 -2.361 -10.171 1.00 3.24 C ATOM 2085 CG ASP A 444 -0.557 -1.545 -11.094 1.00 42.32 C ATOM 2086 OD1 ASP A 444 -1.049 -0.637 -11.813 1.00 74.21 O ATOM 2087 OD2 ASP A 444 0.663 -1.799 -11.100 1.00 0.42 O ATOM 0 H ASP A 444 -3.100 -3.026 -8.359 1.00 24.35 H new ATOM 0 HA ASP A 444 -0.218 -2.641 -8.420 1.00 33.22 H new ATOM 0 HB2 ASP A 444 -1.389 -3.416 -10.432 1.00 3.24 H new ATOM 0 HB3 ASP A 444 -2.511 -2.071 -10.362 1.00 3.24 H new ATOM 2092 N THR A 445 -2.286 -0.064 -8.108 1.00 34.40 N ATOM 2093 CA THR A 445 -2.343 1.350 -7.696 1.00 3.35 C ATOM 2094 C THR A 445 -1.917 1.467 -6.227 1.00 25.31 C ATOM 2095 O THR A 445 -1.218 2.420 -5.854 1.00 21.20 O ATOM 2096 CB THR A 445 -3.746 2.013 -7.939 1.00 73.21 C ATOM 2097 OG1 THR A 445 -3.688 3.424 -7.648 1.00 51.45 O ATOM 2098 CG2 THR A 445 -4.877 1.367 -7.119 1.00 25.12 C ATOM 0 H THR A 445 -3.198 -0.497 -8.251 1.00 34.40 H new ATOM 0 HA THR A 445 -1.648 1.905 -8.326 1.00 3.35 H new ATOM 0 HB THR A 445 -3.981 1.851 -8.991 1.00 73.21 H new ATOM 0 HG1 THR A 445 -4.568 3.827 -7.805 1.00 51.45 H new ATOM 0 HG21 THR A 445 -5.818 1.873 -7.335 1.00 25.12 H new ATOM 0 HG22 THR A 445 -4.963 0.313 -7.384 1.00 25.12 H new ATOM 0 HG23 THR A 445 -4.653 1.456 -6.056 1.00 25.12 H new ATOM 2106 N MET A 446 -2.296 0.447 -5.419 1.00 11.34 N ATOM 2107 CA MET A 446 -1.830 0.314 -4.038 1.00 3.41 C ATOM 2108 C MET A 446 -0.300 0.224 -4.021 1.00 42.44 C ATOM 2109 O MET A 446 0.343 0.923 -3.249 1.00 21.00 O ATOM 2110 CB MET A 446 -2.427 -0.940 -3.341 1.00 51.01 C ATOM 2111 CG MET A 446 -2.092 -1.017 -1.845 1.00 74.14 C ATOM 2112 SD MET A 446 -2.722 -2.495 -1.026 1.00 43.24 S ATOM 2113 CE MET A 446 -2.198 -2.184 0.664 1.00 13.15 C ATOM 0 H MET A 446 -2.929 -0.296 -5.714 1.00 11.34 H new ATOM 0 HA MET A 446 -2.166 1.194 -3.489 1.00 3.41 H new ATOM 0 HB2 MET A 446 -3.510 -0.935 -3.464 1.00 51.01 H new ATOM 0 HB3 MET A 446 -2.053 -1.836 -3.837 1.00 51.01 H new ATOM 0 HG2 MET A 446 -1.009 -0.981 -1.723 1.00 74.14 H new ATOM 0 HG3 MET A 446 -2.498 -0.137 -1.347 1.00 74.14 H new ATOM 0 HE1 MET A 446 -1.562 -3.001 1.004 1.00 13.15 H new ATOM 0 HE2 MET A 446 -1.640 -1.248 0.706 1.00 13.15 H new ATOM 0 HE3 MET A 446 -3.074 -2.113 1.309 1.00 13.15 H new ATOM 2123 N MET A 447 0.251 -0.623 -4.922 1.00 12.30 N ATOM 2124 CA MET A 447 1.700 -0.882 -5.017 1.00 35.23 C ATOM 2125 C MET A 447 2.504 0.378 -5.351 1.00 42.41 C ATOM 2126 O MET A 447 3.445 0.704 -4.635 1.00 10.45 O ATOM 2127 CB MET A 447 2.012 -1.995 -6.047 1.00 35.24 C ATOM 2128 CG MET A 447 3.518 -2.201 -6.326 1.00 44.54 C ATOM 2129 SD MET A 447 3.900 -3.850 -6.926 1.00 40.33 S ATOM 2130 CE MET A 447 3.431 -4.797 -5.485 1.00 72.44 C ATOM 0 H MET A 447 -0.301 -1.145 -5.603 1.00 12.30 H new ATOM 0 HA MET A 447 2.009 -1.220 -4.028 1.00 35.23 H new ATOM 0 HB2 MET A 447 1.589 -2.934 -5.689 1.00 35.24 H new ATOM 0 HB3 MET A 447 1.510 -1.757 -6.985 1.00 35.24 H new ATOM 0 HG2 MET A 447 3.850 -1.467 -7.060 1.00 44.54 H new ATOM 0 HG3 MET A 447 4.081 -2.014 -5.411 1.00 44.54 H new ATOM 0 HE1 MET A 447 4.143 -5.609 -5.335 1.00 72.44 H new ATOM 0 HE2 MET A 447 3.430 -4.149 -4.608 1.00 72.44 H new ATOM 0 HE3 MET A 447 2.434 -5.212 -5.631 1.00 72.44 H new ATOM 2140 N SER A 448 2.133 1.064 -6.446 1.00 64.31 N ATOM 2141 CA SER A 448 2.847 2.268 -6.920 1.00 63.21 C ATOM 2142 C SER A 448 2.868 3.361 -5.841 1.00 33.11 C ATOM 2143 O SER A 448 3.891 4.031 -5.631 1.00 3.15 O ATOM 2144 CB SER A 448 2.185 2.792 -8.205 1.00 41.44 C ATOM 2145 OG SER A 448 0.790 2.966 -8.027 1.00 21.43 O ATOM 0 H SER A 448 1.335 0.804 -7.026 1.00 64.31 H new ATOM 0 HA SER A 448 3.880 1.995 -7.135 1.00 63.21 H new ATOM 0 HB2 SER A 448 2.639 3.741 -8.491 1.00 41.44 H new ATOM 0 HB3 SER A 448 2.366 2.093 -9.022 1.00 41.44 H new ATOM 0 HG SER A 448 0.393 3.301 -8.858 1.00 21.43 H new ATOM 2151 N LYS A 449 1.728 3.506 -5.143 1.00 42.25 N ATOM 2152 CA LYS A 449 1.602 4.461 -4.042 1.00 14.01 C ATOM 2153 C LYS A 449 2.440 4.032 -2.827 1.00 62.21 C ATOM 2154 O LYS A 449 3.183 4.846 -2.290 1.00 13.24 O ATOM 2155 CB LYS A 449 0.121 4.674 -3.661 1.00 42.44 C ATOM 2156 CG LYS A 449 -0.715 5.345 -4.778 1.00 30.51 C ATOM 2157 CD LYS A 449 -2.103 5.848 -4.313 1.00 51.13 C ATOM 2158 CE LYS A 449 -2.041 7.132 -3.464 1.00 62.21 C ATOM 2159 NZ LYS A 449 -1.371 6.931 -2.146 1.00 20.14 N ATOM 0 H LYS A 449 0.881 2.969 -5.327 1.00 42.25 H new ATOM 0 HA LYS A 449 1.997 5.417 -4.385 1.00 14.01 H new ATOM 0 HB2 LYS A 449 -0.324 3.710 -3.414 1.00 42.44 H new ATOM 0 HB3 LYS A 449 0.070 5.288 -2.762 1.00 42.44 H new ATOM 0 HG2 LYS A 449 -0.152 6.186 -5.182 1.00 30.51 H new ATOM 0 HG3 LYS A 449 -0.852 4.633 -5.592 1.00 30.51 H new ATOM 0 HD2 LYS A 449 -2.726 6.031 -5.189 1.00 51.13 H new ATOM 0 HD3 LYS A 449 -2.590 5.063 -3.734 1.00 51.13 H new ATOM 0 HE2 LYS A 449 -1.509 7.903 -4.021 1.00 62.21 H new ATOM 0 HE3 LYS A 449 -3.054 7.500 -3.298 1.00 62.21 H new ATOM 0 HZ1 LYS A 449 -1.749 7.612 -1.457 1.00 20.14 H new ATOM 0 HZ2 LYS A 449 -1.550 5.963 -1.810 1.00 20.14 H new ATOM 0 HZ3 LYS A 449 -0.347 7.077 -2.251 1.00 20.14 H new ATOM 2173 N LEU A 450 2.363 2.735 -2.442 1.00 14.24 N ATOM 2174 CA LEU A 450 3.072 2.226 -1.243 1.00 53.04 C ATOM 2175 C LEU A 450 4.593 2.141 -1.493 1.00 61.41 C ATOM 2176 O LEU A 450 5.378 2.101 -0.551 1.00 0.01 O ATOM 2177 CB LEU A 450 2.454 0.879 -0.709 1.00 53.52 C ATOM 2178 CG LEU A 450 2.659 -0.470 -1.505 1.00 44.35 C ATOM 2179 CD1 LEU A 450 4.070 -1.090 -1.340 1.00 40.24 C ATOM 2180 CD2 LEU A 450 1.582 -1.504 -1.105 1.00 1.41 C ATOM 0 H LEU A 450 1.822 2.028 -2.940 1.00 14.24 H new ATOM 0 HA LEU A 450 2.926 2.948 -0.439 1.00 53.04 H new ATOM 0 HB2 LEU A 450 2.846 0.722 0.296 1.00 53.52 H new ATOM 0 HB3 LEU A 450 1.380 1.035 -0.612 1.00 53.52 H new ATOM 0 HG LEU A 450 2.557 -0.209 -2.559 1.00 44.35 H new ATOM 0 HD11 LEU A 450 4.131 -2.013 -1.916 1.00 40.24 H new ATOM 0 HD12 LEU A 450 4.821 -0.387 -1.700 1.00 40.24 H new ATOM 0 HD13 LEU A 450 4.251 -1.307 -0.287 1.00 40.24 H new ATOM 0 HD21 LEU A 450 1.739 -2.427 -1.663 1.00 1.41 H new ATOM 0 HD22 LEU A 450 1.654 -1.709 -0.037 1.00 1.41 H new ATOM 0 HD23 LEU A 450 0.593 -1.106 -1.333 1.00 1.41 H new ATOM 2192 N ASN A 451 4.983 2.120 -2.779 1.00 43.30 N ATOM 2193 CA ASN A 451 6.395 2.118 -3.211 1.00 11.22 C ATOM 2194 C ASN A 451 6.983 3.528 -3.042 1.00 54.04 C ATOM 2195 O ASN A 451 8.076 3.708 -2.479 1.00 64.33 O ATOM 2196 CB ASN A 451 6.492 1.655 -4.692 1.00 51.50 C ATOM 2197 CG ASN A 451 7.930 1.492 -5.190 1.00 33.24 C ATOM 2198 OD1 ASN A 451 8.519 0.419 -5.064 1.00 20.11 O ATOM 2199 ND2 ASN A 451 8.503 2.547 -5.753 1.00 62.22 N ATOM 0 H ASN A 451 4.323 2.104 -3.556 1.00 43.30 H new ATOM 0 HA ASN A 451 6.967 1.423 -2.596 1.00 11.22 H new ATOM 0 HB2 ASN A 451 5.968 0.705 -4.802 1.00 51.50 H new ATOM 0 HB3 ASN A 451 5.977 2.378 -5.324 1.00 51.50 H new ATOM 0 HD21 ASN A 451 9.461 2.484 -6.098 1.00 62.22 H new ATOM 0 HD22 ASN A 451 7.986 3.422 -5.842 1.00 62.22 H new ATOM 2206 N ASN A 452 6.217 4.522 -3.542 1.00 71.20 N ATOM 2207 CA ASN A 452 6.557 5.957 -3.458 1.00 2.13 C ATOM 2208 C ASN A 452 6.650 6.377 -1.978 1.00 55.11 C ATOM 2209 O ASN A 452 7.601 7.079 -1.570 1.00 51.45 O ATOM 2210 CB ASN A 452 5.478 6.786 -4.231 1.00 74.43 C ATOM 2211 CG ASN A 452 5.813 8.276 -4.517 1.00 71.24 C ATOM 2212 OD1 ASN A 452 6.373 9.012 -3.562 1.00 34.21 O flip ATOM 2213 ND2 ASN A 452 5.510 8.782 -5.601 1.00 64.15 N flip ATOM 0 H ASN A 452 5.334 4.347 -4.021 1.00 71.20 H new ATOM 0 HA ASN A 452 7.526 6.148 -3.920 1.00 2.13 H new ATOM 0 HB2 ASN A 452 5.288 6.292 -5.184 1.00 74.43 H new ATOM 0 HB3 ASN A 452 4.549 6.750 -3.662 1.00 74.43 H new ATOM 0 HD21 ASN A 452 5.081 8.210 -6.328 1.00 64.15 H new ATOM 0 HD22 ASN A 452 5.689 9.772 -5.770 1.00 64.15 H new ATOM 2220 N THR A 453 5.671 5.918 -1.173 1.00 62.13 N ATOM 2221 CA THR A 453 5.609 6.233 0.255 1.00 61.30 C ATOM 2222 C THR A 453 6.812 5.635 0.984 1.00 12.42 C ATOM 2223 O THR A 453 7.609 6.393 1.506 1.00 5.55 O ATOM 2224 CB THR A 453 4.278 5.766 0.924 1.00 43.04 C ATOM 2225 OG1 THR A 453 4.097 4.376 0.711 1.00 33.13 O ATOM 2226 CG2 THR A 453 3.065 6.531 0.375 1.00 63.15 C ATOM 0 H THR A 453 4.909 5.323 -1.498 1.00 62.13 H new ATOM 0 HA THR A 453 5.637 7.319 0.339 1.00 61.30 H new ATOM 0 HB THR A 453 4.352 5.975 1.991 1.00 43.04 H new ATOM 0 HG1 THR A 453 3.628 3.986 1.478 1.00 33.13 H new ATOM 0 HG21 THR A 453 2.159 6.177 0.866 1.00 63.15 H new ATOM 0 HG22 THR A 453 3.189 7.597 0.568 1.00 63.15 H new ATOM 0 HG23 THR A 453 2.985 6.364 -0.699 1.00 63.15 H new ATOM 2234 N SER A 454 6.970 4.288 0.945 1.00 55.24 N ATOM 2235 CA SER A 454 8.066 3.571 1.647 1.00 73.44 C ATOM 2236 C SER A 454 9.454 4.155 1.314 1.00 43.12 C ATOM 2237 O SER A 454 10.361 4.113 2.148 1.00 61.22 O ATOM 2238 CB SER A 454 8.033 2.064 1.320 1.00 43.32 C ATOM 2239 OG SER A 454 8.175 1.837 -0.072 1.00 60.00 O ATOM 0 H SER A 454 6.344 3.670 0.428 1.00 55.24 H new ATOM 0 HA SER A 454 7.899 3.708 2.715 1.00 73.44 H new ATOM 0 HB2 SER A 454 8.833 1.555 1.857 1.00 43.32 H new ATOM 0 HB3 SER A 454 7.093 1.635 1.667 1.00 43.32 H new ATOM 0 HG SER A 454 7.295 1.877 -0.501 1.00 60.00 H new ATOM 2245 N SER A 455 9.595 4.700 0.085 1.00 50.13 N ATOM 2246 CA SER A 455 10.793 5.438 -0.328 1.00 30.34 C ATOM 2247 C SER A 455 11.008 6.678 0.585 1.00 22.43 C ATOM 2248 O SER A 455 11.973 6.720 1.366 1.00 14.01 O ATOM 2249 CB SER A 455 10.678 5.843 -1.817 1.00 42.44 C ATOM 2250 OG SER A 455 11.844 6.502 -2.279 1.00 4.11 O ATOM 0 H SER A 455 8.881 4.637 -0.640 1.00 50.13 H new ATOM 0 HA SER A 455 11.666 4.794 -0.220 1.00 30.34 H new ATOM 0 HB2 SER A 455 10.500 4.954 -2.422 1.00 42.44 H new ATOM 0 HB3 SER A 455 9.816 6.496 -1.950 1.00 42.44 H new ATOM 0 HG SER A 455 11.733 6.740 -3.223 1.00 4.11 H new ATOM 2256 N TYR A 456 10.076 7.664 0.537 1.00 3.54 N ATOM 2257 CA TYR A 456 10.246 8.920 1.311 1.00 53.43 C ATOM 2258 C TYR A 456 10.067 8.706 2.836 1.00 14.54 C ATOM 2259 O TYR A 456 10.543 9.519 3.628 1.00 20.13 O ATOM 2260 CB TYR A 456 9.376 10.097 0.764 1.00 64.22 C ATOM 2261 CG TYR A 456 7.834 9.962 0.797 1.00 33.12 C ATOM 2262 CD1 TYR A 456 7.117 9.952 1.998 1.00 42.02 C ATOM 2263 CD2 TYR A 456 7.087 9.917 -0.387 1.00 51.43 C ATOM 2264 CE1 TYR A 456 5.733 9.908 2.012 1.00 12.43 C ATOM 2265 CE2 TYR A 456 5.702 9.864 -0.371 1.00 52.42 C ATOM 2266 CZ TYR A 456 5.032 9.857 0.831 1.00 31.53 C ATOM 2267 OH TYR A 456 3.650 9.826 0.855 1.00 35.24 O ATOM 0 H TYR A 456 9.220 7.617 -0.015 1.00 3.54 H new ATOM 0 HA TYR A 456 11.282 9.224 1.163 1.00 53.43 H new ATOM 0 HB2 TYR A 456 9.641 10.992 1.326 1.00 64.22 H new ATOM 0 HB3 TYR A 456 9.670 10.272 -0.271 1.00 64.22 H new ATOM 0 HD1 TYR A 456 7.654 9.979 2.934 1.00 42.02 H new ATOM 0 HD2 TYR A 456 7.603 9.924 -1.336 1.00 51.43 H new ATOM 0 HE1 TYR A 456 5.203 9.914 2.953 1.00 12.43 H new ATOM 0 HE2 TYR A 456 5.150 9.828 -1.299 1.00 52.42 H new ATOM 0 HH TYR A 456 3.308 9.792 -0.063 1.00 35.24 H new ATOM 2277 N LEU A 457 9.390 7.609 3.230 1.00 31.34 N ATOM 2278 CA LEU A 457 9.162 7.250 4.646 1.00 24.43 C ATOM 2279 C LEU A 457 10.449 6.682 5.269 1.00 11.32 C ATOM 2280 O LEU A 457 10.736 6.946 6.437 1.00 13.33 O ATOM 2281 CB LEU A 457 8.012 6.207 4.814 1.00 55.14 C ATOM 2282 CG LEU A 457 6.561 6.651 4.442 1.00 44.43 C ATOM 2283 CD1 LEU A 457 5.539 5.527 4.747 1.00 63.15 C ATOM 2284 CD2 LEU A 457 6.179 7.967 5.137 1.00 73.02 C ATOM 0 H LEU A 457 8.984 6.943 2.573 1.00 31.34 H new ATOM 0 HA LEU A 457 8.869 8.166 5.159 1.00 24.43 H new ATOM 0 HB2 LEU A 457 8.260 5.335 4.209 1.00 55.14 H new ATOM 0 HB3 LEU A 457 8.006 5.881 5.854 1.00 55.14 H new ATOM 0 HG LEU A 457 6.536 6.836 3.368 1.00 44.43 H new ATOM 0 HD11 LEU A 457 4.538 5.863 4.479 1.00 63.15 H new ATOM 0 HD12 LEU A 457 5.791 4.639 4.168 1.00 63.15 H new ATOM 0 HD13 LEU A 457 5.568 5.287 5.810 1.00 63.15 H new ATOM 0 HD21 LEU A 457 5.164 8.246 4.855 1.00 73.02 H new ATOM 0 HD22 LEU A 457 6.233 7.837 6.218 1.00 73.02 H new ATOM 0 HD23 LEU A 457 6.869 8.753 4.831 1.00 73.02 H new ATOM 2296 N THR A 458 11.213 5.882 4.489 1.00 43.00 N ATOM 2297 CA THR A 458 12.452 5.256 4.990 1.00 71.31 C ATOM 2298 C THR A 458 13.571 6.311 5.107 1.00 30.52 C ATOM 2299 O THR A 458 14.375 6.270 6.042 1.00 2.23 O ATOM 2300 CB THR A 458 12.898 4.013 4.125 1.00 34.24 C ATOM 2301 OG1 THR A 458 13.757 3.163 4.897 1.00 12.32 O ATOM 2302 CG2 THR A 458 13.620 4.388 2.816 1.00 0.50 C ATOM 0 H THR A 458 10.993 5.658 3.519 1.00 43.00 H new ATOM 0 HA THR A 458 12.245 4.863 5.985 1.00 71.31 H new ATOM 0 HB THR A 458 11.978 3.499 3.847 1.00 34.24 H new ATOM 0 HG1 THR A 458 14.029 2.393 4.355 1.00 12.32 H new ATOM 0 HG21 THR A 458 13.894 3.480 2.279 1.00 0.50 H new ATOM 0 HG22 THR A 458 12.958 4.991 2.195 1.00 0.50 H new ATOM 0 HG23 THR A 458 14.520 4.958 3.047 1.00 0.50 H new ATOM 2310 N GLN A 459 13.578 7.283 4.164 1.00 14.22 N ATOM 2311 CA GLN A 459 14.495 8.443 4.213 1.00 33.21 C ATOM 2312 C GLN A 459 14.168 9.328 5.440 1.00 31.23 C ATOM 2313 O GLN A 459 15.070 9.762 6.186 1.00 31.01 O ATOM 2314 CB GLN A 459 14.389 9.262 2.900 1.00 61.44 C ATOM 2315 CG GLN A 459 14.673 8.461 1.611 1.00 72.31 C ATOM 2316 CD GLN A 459 14.450 9.254 0.312 1.00 33.15 C ATOM 2317 OE1 GLN A 459 13.488 10.176 0.305 1.00 13.24 O flip ATOM 2318 NE2 GLN A 459 15.131 9.026 -0.690 1.00 4.32 N flip ATOM 0 H GLN A 459 12.955 7.285 3.357 1.00 14.22 H new ATOM 0 HA GLN A 459 15.519 8.083 4.312 1.00 33.21 H new ATOM 0 HB2 GLN A 459 13.387 9.687 2.833 1.00 61.44 H new ATOM 0 HB3 GLN A 459 15.087 10.098 2.953 1.00 61.44 H new ATOM 0 HG2 GLN A 459 15.704 8.109 1.636 1.00 72.31 H new ATOM 0 HG3 GLN A 459 14.035 7.578 1.598 1.00 72.31 H new ATOM 0 HE21 GLN A 459 15.862 8.315 -0.659 1.00 4.32 H new ATOM 0 HE22 GLN A 459 14.964 9.548 -1.550 1.00 4.32 H new ATOM 2327 N GLN A 460 12.850 9.549 5.642 1.00 72.35 N ATOM 2328 CA GLN A 460 12.301 10.279 6.801 1.00 34.54 C ATOM 2329 C GLN A 460 12.730 9.614 8.111 1.00 51.45 C ATOM 2330 O GLN A 460 13.136 10.288 9.053 1.00 52.54 O ATOM 2331 CB GLN A 460 10.750 10.323 6.717 1.00 14.50 C ATOM 2332 CG GLN A 460 10.033 10.919 7.949 1.00 24.34 C ATOM 2333 CD GLN A 460 10.259 12.422 8.126 1.00 2.34 C ATOM 2334 OE1 GLN A 460 9.505 13.244 7.599 1.00 23.52 O ATOM 2335 NE2 GLN A 460 11.286 12.790 8.870 1.00 33.20 N ATOM 0 H GLN A 460 12.132 9.221 4.996 1.00 72.35 H new ATOM 0 HA GLN A 460 12.692 11.296 6.782 1.00 34.54 H new ATOM 0 HB2 GLN A 460 10.468 10.903 5.838 1.00 14.50 H new ATOM 0 HB3 GLN A 460 10.383 9.309 6.561 1.00 14.50 H new ATOM 0 HG2 GLN A 460 8.963 10.729 7.862 1.00 24.34 H new ATOM 0 HG3 GLN A 460 10.377 10.401 8.844 1.00 24.34 H new ATOM 0 HE21 GLN A 460 11.890 12.084 9.291 1.00 33.20 H new ATOM 0 HE22 GLN A 460 11.476 13.780 9.024 1.00 33.20 H new ATOM 2344 N PHE A 461 12.643 8.278 8.132 1.00 34.14 N ATOM 2345 CA PHE A 461 12.984 7.462 9.301 1.00 54.23 C ATOM 2346 C PHE A 461 14.476 7.595 9.643 1.00 13.33 C ATOM 2347 O PHE A 461 14.829 7.659 10.813 1.00 15.23 O ATOM 2348 CB PHE A 461 12.599 5.981 9.040 1.00 40.21 C ATOM 2349 CG PHE A 461 12.847 5.027 10.212 1.00 14.34 C ATOM 2350 CD1 PHE A 461 12.343 5.303 11.484 1.00 62.12 C ATOM 2351 CD2 PHE A 461 13.578 3.852 10.040 1.00 61.14 C ATOM 2352 CE1 PHE A 461 12.574 4.438 12.537 1.00 73.11 C ATOM 2353 CE2 PHE A 461 13.804 2.990 11.095 1.00 14.21 C ATOM 2354 CZ PHE A 461 13.302 3.283 12.342 1.00 3.23 C ATOM 0 H PHE A 461 12.331 7.730 7.330 1.00 34.14 H new ATOM 0 HA PHE A 461 12.417 7.821 10.160 1.00 54.23 H new ATOM 0 HB2 PHE A 461 11.543 5.938 8.775 1.00 40.21 H new ATOM 0 HB3 PHE A 461 13.159 5.623 8.176 1.00 40.21 H new ATOM 0 HD1 PHE A 461 11.767 6.202 11.647 1.00 62.12 H new ATOM 0 HD2 PHE A 461 13.974 3.612 9.065 1.00 61.14 H new ATOM 0 HE1 PHE A 461 12.183 4.668 13.517 1.00 73.11 H new ATOM 0 HE2 PHE A 461 14.375 2.086 10.941 1.00 14.21 H new ATOM 0 HZ PHE A 461 13.478 2.609 13.167 1.00 3.23 H new ATOM 2364 N THR A 462 15.333 7.667 8.607 1.00 14.34 N ATOM 2365 CA THR A 462 16.790 7.784 8.793 1.00 11.15 C ATOM 2366 C THR A 462 17.149 9.101 9.516 1.00 13.11 C ATOM 2367 O THR A 462 17.917 9.092 10.486 1.00 42.03 O ATOM 2368 CB THR A 462 17.550 7.695 7.427 1.00 1.33 C ATOM 2369 OG1 THR A 462 16.977 6.658 6.618 1.00 64.32 O ATOM 2370 CG2 THR A 462 19.049 7.390 7.623 1.00 42.44 C ATOM 0 H THR A 462 15.039 7.646 7.630 1.00 14.34 H new ATOM 0 HA THR A 462 17.107 6.946 9.414 1.00 11.15 H new ATOM 0 HB THR A 462 17.452 8.664 6.938 1.00 1.33 H new ATOM 0 HG1 THR A 462 16.090 6.937 6.309 1.00 64.32 H new ATOM 0 HG21 THR A 462 19.540 7.337 6.651 1.00 42.44 H new ATOM 0 HG22 THR A 462 19.507 8.181 8.217 1.00 42.44 H new ATOM 0 HG23 THR A 462 19.162 6.437 8.139 1.00 42.44 H new ATOM 2378 N ALA A 463 16.555 10.218 9.050 1.00 42.44 N ATOM 2379 CA ALA A 463 16.799 11.555 9.638 1.00 43.41 C ATOM 2380 C ALA A 463 16.153 11.694 11.037 1.00 21.11 C ATOM 2381 O ALA A 463 16.831 12.041 12.018 1.00 73.11 O ATOM 2382 CB ALA A 463 16.276 12.646 8.690 1.00 63.05 C ATOM 0 H ALA A 463 15.901 10.223 8.267 1.00 42.44 H new ATOM 0 HA ALA A 463 17.875 11.675 9.766 1.00 43.41 H new ATOM 0 HB1 ALA A 463 16.459 13.627 9.128 1.00 63.05 H new ATOM 0 HB2 ALA A 463 16.793 12.574 7.733 1.00 63.05 H new ATOM 0 HB3 ALA A 463 15.205 12.511 8.536 1.00 63.05 H new ATOM 2388 N MET A 464 14.850 11.375 11.120 1.00 42.12 N ATOM 2389 CA MET A 464 14.043 11.558 12.350 1.00 73.51 C ATOM 2390 C MET A 464 14.582 10.703 13.516 1.00 22.21 C ATOM 2391 O MET A 464 14.581 11.143 14.669 1.00 42.14 O ATOM 2392 CB MET A 464 12.559 11.188 12.068 1.00 11.13 C ATOM 2393 CG MET A 464 11.608 11.331 13.269 1.00 62.32 C ATOM 2394 SD MET A 464 9.951 10.698 12.937 1.00 3.32 S ATOM 2395 CE MET A 464 9.346 11.832 11.689 1.00 1.04 C ATOM 0 H MET A 464 14.322 10.983 10.340 1.00 42.12 H new ATOM 0 HA MET A 464 14.112 12.606 12.642 1.00 73.51 H new ATOM 0 HB2 MET A 464 12.192 11.818 11.258 1.00 11.13 H new ATOM 0 HB3 MET A 464 12.519 10.158 11.714 1.00 11.13 H new ATOM 0 HG2 MET A 464 12.029 10.801 14.123 1.00 62.32 H new ATOM 0 HG3 MET A 464 11.540 12.382 13.548 1.00 62.32 H new ATOM 0 HE1 MET A 464 8.257 11.788 11.654 1.00 1.04 H new ATOM 0 HE2 MET A 464 9.661 12.846 11.936 1.00 1.04 H new ATOM 0 HE3 MET A 464 9.751 11.553 10.716 1.00 1.04 H new ATOM 2405 N ASN A 465 15.080 9.501 13.192 1.00 23.32 N ATOM 2406 CA ASN A 465 15.623 8.570 14.197 1.00 51.43 C ATOM 2407 C ASN A 465 17.053 9.010 14.570 1.00 4.45 C ATOM 2408 O ASN A 465 17.331 9.276 15.746 1.00 24.01 O ATOM 2409 CB ASN A 465 15.599 7.115 13.657 1.00 11.02 C ATOM 2410 CG ASN A 465 15.832 6.023 14.706 1.00 44.42 C ATOM 2411 OD1 ASN A 465 16.335 6.264 15.804 1.00 5.53 O ATOM 2412 ND2 ASN A 465 15.546 4.790 14.324 1.00 22.42 N ATOM 0 H ASN A 465 15.119 9.147 12.236 1.00 23.32 H new ATOM 0 HA ASN A 465 15.004 8.593 15.094 1.00 51.43 H new ATOM 0 HB2 ASN A 465 14.635 6.938 13.180 1.00 11.02 H new ATOM 0 HB3 ASN A 465 16.360 7.020 12.882 1.00 11.02 H new ATOM 0 HD21 ASN A 465 15.742 4.005 14.945 1.00 22.42 H new ATOM 0 HD22 ASN A 465 15.130 4.624 13.408 1.00 22.42 H new ATOM 2419 N LYS A 466 17.970 9.053 13.567 1.00 33.13 N ATOM 2420 CA LYS A 466 19.359 9.525 13.775 1.00 30.12 C ATOM 2421 C LYS A 466 19.805 10.619 12.748 1.00 53.11 C ATOM 2422 O LYS A 466 20.437 10.310 11.733 1.00 61.33 O ATOM 2423 CB LYS A 466 20.368 8.318 13.849 1.00 2.34 C ATOM 2424 CG LYS A 466 20.508 7.407 12.588 1.00 42.51 C ATOM 2425 CD LYS A 466 19.307 6.461 12.330 1.00 2.14 C ATOM 2426 CE LYS A 466 19.093 5.427 13.452 1.00 33.04 C ATOM 2427 NZ LYS A 466 20.284 4.562 13.687 1.00 24.42 N ATOM 0 H LYS A 466 17.769 8.766 12.609 1.00 33.13 H new ATOM 0 HA LYS A 466 19.374 10.024 14.744 1.00 30.12 H new ATOM 0 HB2 LYS A 466 21.354 8.720 14.083 1.00 2.34 H new ATOM 0 HB3 LYS A 466 20.074 7.687 14.687 1.00 2.34 H new ATOM 0 HG2 LYS A 466 20.647 8.042 11.713 1.00 42.51 H new ATOM 0 HG3 LYS A 466 21.411 6.805 12.691 1.00 42.51 H new ATOM 0 HD2 LYS A 466 18.402 7.057 12.218 1.00 2.14 H new ATOM 0 HD3 LYS A 466 19.463 5.937 11.387 1.00 2.14 H new ATOM 0 HE2 LYS A 466 18.843 5.949 14.376 1.00 33.04 H new ATOM 0 HE3 LYS A 466 18.239 4.798 13.200 1.00 33.04 H new ATOM 0 HZ1 LYS A 466 20.051 3.834 14.392 1.00 24.42 H new ATOM 0 HZ2 LYS A 466 20.562 4.104 12.795 1.00 24.42 H new ATOM 0 HZ3 LYS A 466 21.072 5.144 14.038 1.00 24.42 H new ATOM 2441 N SER A 467 19.424 11.899 12.965 1.00 50.42 N ATOM 2442 CA SER A 467 20.104 13.044 12.296 1.00 71.45 C ATOM 2443 C SER A 467 21.179 13.634 13.251 1.00 13.11 C ATOM 2444 O SER A 467 20.815 14.386 14.190 1.00 1.14 O ATOM 2445 CB SER A 467 19.085 14.132 11.847 1.00 73.21 C ATOM 2446 OG SER A 467 19.698 15.142 11.049 1.00 13.20 O ATOM 2447 OXT SER A 467 22.382 13.334 13.071 1.00 38.33 O ATOM 0 H SER A 467 18.662 12.168 13.587 1.00 50.42 H new ATOM 0 HA SER A 467 20.593 12.682 11.392 1.00 71.45 H new ATOM 0 HB2 SER A 467 18.279 13.663 11.282 1.00 73.21 H new ATOM 0 HB3 SER A 467 18.633 14.590 12.727 1.00 73.21 H new ATOM 0 HG SER A 467 19.025 15.804 10.786 1.00 13.20 H new TER 2453 SER A 467