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 460 GLN : amide:sc= -0.748 K(o=-0.75,f=-5.1!) USER MOD Set 1.2: A 464 MET CE :methyl 151:sc= 0 (180deg=0) USER MOD Set 2.1: A 79 LYS NZ :NH3+ -175:sc= 1.01 (180deg=-0.0142) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.922 K(o=1.9,f=-2.6) USER MOD Set 3.1: A 18 SER OG : rot -74:sc= 0.225 USER MOD Set 3.2: A 40 TYR OH : rot 12:sc= 0.749 USER MOD Set 3.3: A 71 THR OG1 : rot 103:sc= 0.61 USER MOD Set 4.1: A 2 THR OG1 : rot 180:sc= -0.029 USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.468) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.571 X(o=-0.57,f=-0.3) USER MOD Single : A 12 GLN : amide:sc= -0.0805 K(o=-0.081,f=-1.8) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 0.69 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.046) USER MOD Single : A 36 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.5) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 43 SER OG : rot 72:sc= 0.933 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -166:sc= 0 (180deg=-0.166) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0.986 (180deg=0.896) USER MOD Single : A 51 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 59 SER OG : rot 180:sc= 0.286 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 170:sc= -1.83 (180deg=-2.16!) 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 F(o=-0.56,f=0) USER MOD Single : A 74 ASN : amide:sc= -3.31! X(o=-3.3!,f=-3.2) USER MOD Single : A 76 GLN :FLIP amide:sc=-0.000575 F(o=-0.76,f=-0.00057) USER MOD Single : A 83 GLN : amide:sc= -0.439 X(o=-0.44,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.467 X(o=-0.47,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=-0.00241 X(o=-0.0024,f=-0.0024) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0697 F(o=-0.62,f=-0.07) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 45:sc= 0.187 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 (180deg=-0.0707) USER MOD Single : A 439 GLN : amide:sc= -0.0655 X(o=-0.065,f=-0.065) USER MOD Single : A 441 THR OG1 : rot 85:sc= 0.889 USER MOD Single : A 442 GLN :FLIP amide:sc= -0.0168 F(o=-0.93,f=-0.017) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -126:sc= -0.28 (180deg=-3.35!) USER MOD Single : A 447 MET CE :methyl -126:sc= -0.838 (180deg=-3.52!) USER MOD Single : A 448 SER OG : rot -83:sc= 0.248 USER MOD Single : A 449 LYS NZ :NH3+ -179:sc= 0.65 (180deg=0.65) USER MOD Single : A 452 ASN :FLIP amide:sc=-0.00549 F(o=-0.79,f=-0.0055) USER MOD Single : A 453 THR OG1 : rot 150:sc= -1.14 USER MOD Single : A 454 SER OG : rot -83:sc= 1.01 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.0803 F(o=-2.4!,f=-0.08) USER MOD Single : A 462 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 465 ASN : amide:sc= 0.0717 K(o=0.072,f=-1.6!) USER MOD Single : A 466 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0956) USER MOD Single : A 467 SER OG : rot 14:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.900 21.387 22.038 1.00 5.31 N ATOM 2 CA MET A 1 -0.092 21.159 20.820 1.00 24.32 C ATOM 3 C MET A 1 -0.943 20.463 19.725 1.00 22.31 C ATOM 4 O MET A 1 -0.996 19.237 19.648 1.00 52.43 O ATOM 5 CB MET A 1 1.208 20.363 21.182 1.00 75.14 C ATOM 6 CG MET A 1 1.001 19.003 21.889 1.00 11.10 C ATOM 7 SD MET A 1 2.562 18.130 22.170 1.00 23.04 S ATOM 8 CE MET A 1 2.010 16.520 22.738 1.00 45.22 C ATOM 0 H1 MET A 1 -0.315 21.853 22.760 1.00 5.31 H new ATOM 0 H2 MET A 1 -1.713 21.993 21.807 1.00 5.31 H new ATOM 0 H3 MET A 1 -1.241 20.475 22.404 1.00 5.31 H new ATOM 0 HA MET A 1 0.224 22.116 20.404 1.00 24.32 H new ATOM 0 HB2 MET A 1 1.771 20.190 20.265 1.00 75.14 H new ATOM 0 HB3 MET A 1 1.827 20.991 21.822 1.00 75.14 H new ATOM 0 HG2 MET A 1 0.501 19.165 22.844 1.00 11.10 H new ATOM 0 HG3 MET A 1 0.342 18.379 21.286 1.00 11.10 H new ATOM 0 HE1 MET A 1 2.810 16.039 23.301 1.00 45.22 H new ATOM 0 HE2 MET A 1 1.136 16.640 23.379 1.00 45.22 H new ATOM 0 HE3 MET A 1 1.748 15.901 21.880 1.00 45.22 H new ATOM 20 N THR A 2 -1.621 21.273 18.883 1.00 4.51 N ATOM 21 CA THR A 2 -2.555 20.783 17.839 1.00 42.32 C ATOM 22 C THR A 2 -1.823 19.956 16.759 1.00 64.43 C ATOM 23 O THR A 2 -2.186 18.804 16.488 1.00 50.43 O ATOM 24 CB THR A 2 -3.303 21.985 17.165 1.00 12.13 C ATOM 25 OG1 THR A 2 -2.342 22.943 16.693 1.00 10.53 O ATOM 26 CG2 THR A 2 -4.289 22.678 18.129 1.00 0.33 C ATOM 0 H THR A 2 -1.537 22.289 18.906 1.00 4.51 H new ATOM 0 HA THR A 2 -3.279 20.134 18.331 1.00 42.32 H new ATOM 0 HB THR A 2 -3.884 21.585 16.334 1.00 12.13 H new ATOM 0 HG1 THR A 2 -2.809 23.694 16.270 1.00 10.53 H new ATOM 0 HG21 THR A 2 -4.781 23.503 17.615 1.00 0.33 H new ATOM 0 HG22 THR A 2 -5.038 21.959 18.462 1.00 0.33 H new ATOM 0 HG23 THR A 2 -3.745 23.061 18.992 1.00 0.33 H new ATOM 34 N SER A 3 -0.771 20.561 16.177 1.00 45.11 N ATOM 35 CA SER A 3 0.022 19.962 15.094 1.00 42.20 C ATOM 36 C SER A 3 0.743 18.682 15.574 1.00 22.41 C ATOM 37 O SER A 3 0.835 17.685 14.847 1.00 13.02 O ATOM 38 CB SER A 3 1.030 21.011 14.566 1.00 50.43 C ATOM 39 OG SER A 3 0.368 22.205 14.164 1.00 23.21 O ATOM 0 H SER A 3 -0.447 21.489 16.450 1.00 45.11 H new ATOM 0 HA SER A 3 -0.643 19.666 14.282 1.00 42.20 H new ATOM 0 HB2 SER A 3 1.760 21.241 15.342 1.00 50.43 H new ATOM 0 HB3 SER A 3 1.582 20.596 13.722 1.00 50.43 H new ATOM 0 HG SER A 3 1.028 22.851 13.836 1.00 23.21 H new ATOM 45 N THR A 4 1.203 18.718 16.826 1.00 72.15 N ATOM 46 CA THR A 4 1.992 17.640 17.414 1.00 24.02 C ATOM 47 C THR A 4 1.098 16.439 17.828 1.00 71.21 C ATOM 48 O THR A 4 1.522 15.291 17.697 1.00 54.34 O ATOM 49 CB THR A 4 2.810 18.180 18.627 1.00 25.44 C ATOM 50 OG1 THR A 4 3.425 19.436 18.271 1.00 4.14 O ATOM 51 CG2 THR A 4 3.898 17.192 19.078 1.00 63.24 C ATOM 0 H THR A 4 1.037 19.499 17.461 1.00 72.15 H new ATOM 0 HA THR A 4 2.688 17.273 16.659 1.00 24.02 H new ATOM 0 HB THR A 4 2.117 18.315 19.458 1.00 25.44 H new ATOM 0 HG1 THR A 4 3.938 19.777 19.033 1.00 4.14 H new ATOM 0 HG21 THR A 4 4.441 17.611 19.925 1.00 63.24 H new ATOM 0 HG22 THR A 4 3.435 16.251 19.374 1.00 63.24 H new ATOM 0 HG23 THR A 4 4.590 17.013 18.255 1.00 63.24 H new ATOM 59 N VAL A 5 -0.151 16.699 18.296 1.00 63.43 N ATOM 60 CA VAL A 5 -1.072 15.612 18.718 1.00 54.11 C ATOM 61 C VAL A 5 -1.621 14.852 17.487 1.00 63.11 C ATOM 62 O VAL A 5 -1.657 13.620 17.501 1.00 63.53 O ATOM 63 CB VAL A 5 -2.259 16.102 19.653 1.00 34.05 C ATOM 64 CG1 VAL A 5 -3.265 17.018 18.921 1.00 25.15 C ATOM 65 CG2 VAL A 5 -2.985 14.897 20.314 1.00 43.21 C ATOM 0 H VAL A 5 -0.539 17.638 18.390 1.00 63.43 H new ATOM 0 HA VAL A 5 -0.475 14.932 19.326 1.00 54.11 H new ATOM 0 HB VAL A 5 -1.802 16.706 20.437 1.00 34.05 H new ATOM 0 HG11 VAL A 5 -4.052 17.320 19.612 1.00 25.15 H new ATOM 0 HG12 VAL A 5 -2.748 17.903 18.551 1.00 25.15 H new ATOM 0 HG13 VAL A 5 -3.705 16.478 18.083 1.00 25.15 H new ATOM 0 HG21 VAL A 5 -3.793 15.262 20.948 1.00 43.21 H new ATOM 0 HG22 VAL A 5 -3.396 14.250 19.539 1.00 43.21 H new ATOM 0 HG23 VAL A 5 -2.276 14.332 20.919 1.00 43.21 H new ATOM 75 N GLU A 6 -2.008 15.591 16.409 1.00 2.33 N ATOM 76 CA GLU A 6 -2.489 14.971 15.149 1.00 35.42 C ATOM 77 C GLU A 6 -1.360 14.143 14.498 1.00 21.34 C ATOM 78 O GLU A 6 -1.609 13.092 13.919 1.00 12.22 O ATOM 79 CB GLU A 6 -3.030 16.040 14.153 1.00 5.10 C ATOM 80 CG GLU A 6 -1.990 17.094 13.725 1.00 4.43 C ATOM 81 CD GLU A 6 -2.437 18.027 12.590 1.00 12.14 C ATOM 82 OE1 GLU A 6 -3.458 18.719 12.743 1.00 22.04 O ATOM 83 OE2 GLU A 6 -1.738 18.103 11.556 1.00 3.34 O ATOM 0 H GLU A 6 -1.995 16.611 16.391 1.00 2.33 H new ATOM 0 HA GLU A 6 -3.317 14.307 15.397 1.00 35.42 H new ATOM 0 HB2 GLU A 6 -3.404 15.534 13.263 1.00 5.10 H new ATOM 0 HB3 GLU A 6 -3.878 16.549 14.610 1.00 5.10 H new ATOM 0 HG2 GLU A 6 -1.732 17.701 14.593 1.00 4.43 H new ATOM 0 HG3 GLU A 6 -1.081 16.579 13.415 1.00 4.43 H new ATOM 90 N PHE A 7 -0.119 14.654 14.613 1.00 43.12 N ATOM 91 CA PHE A 7 1.109 13.941 14.227 1.00 62.44 C ATOM 92 C PHE A 7 1.186 12.538 14.898 1.00 52.43 C ATOM 93 O PHE A 7 1.261 11.523 14.196 1.00 40.13 O ATOM 94 CB PHE A 7 2.314 14.844 14.598 1.00 44.53 C ATOM 95 CG PHE A 7 3.701 14.239 14.439 1.00 31.43 C ATOM 96 CD1 PHE A 7 4.339 14.213 13.205 1.00 51.33 C ATOM 97 CD2 PHE A 7 4.381 13.712 15.538 1.00 42.05 C ATOM 98 CE1 PHE A 7 5.610 13.694 13.081 1.00 3.43 C ATOM 99 CE2 PHE A 7 5.650 13.192 15.402 1.00 12.22 C ATOM 100 CZ PHE A 7 6.261 13.180 14.174 1.00 53.21 C ATOM 0 H PHE A 7 0.059 15.588 14.983 1.00 43.12 H new ATOM 0 HA PHE A 7 1.118 13.750 13.154 1.00 62.44 H new ATOM 0 HB2 PHE A 7 2.264 15.745 13.986 1.00 44.53 H new ATOM 0 HB3 PHE A 7 2.197 15.157 15.636 1.00 44.53 H new ATOM 0 HD1 PHE A 7 3.834 14.603 12.334 1.00 51.33 H new ATOM 0 HD2 PHE A 7 3.906 13.712 16.508 1.00 42.05 H new ATOM 0 HE1 PHE A 7 6.097 13.692 12.117 1.00 3.43 H new ATOM 0 HE2 PHE A 7 6.164 12.793 16.264 1.00 12.22 H new ATOM 0 HZ PHE A 7 7.253 12.767 14.068 1.00 53.21 H new ATOM 110 N ILE A 8 1.105 12.506 16.251 1.00 5.33 N ATOM 111 CA ILE A 8 1.175 11.253 17.051 1.00 60.31 C ATOM 112 C ILE A 8 0.062 10.263 16.650 1.00 54.33 C ATOM 113 O ILE A 8 0.334 9.091 16.360 1.00 44.03 O ATOM 114 CB ILE A 8 1.032 11.553 18.593 1.00 61.11 C ATOM 115 CG1 ILE A 8 2.122 12.552 19.080 1.00 1.21 C ATOM 116 CG2 ILE A 8 1.070 10.246 19.426 1.00 64.21 C ATOM 117 CD1 ILE A 8 1.920 13.090 20.491 1.00 15.42 C ATOM 0 H ILE A 8 0.990 13.345 16.820 1.00 5.33 H new ATOM 0 HA ILE A 8 2.150 10.810 16.847 1.00 60.31 H new ATOM 0 HB ILE A 8 0.059 12.020 18.745 1.00 61.11 H new ATOM 0 HG12 ILE A 8 3.093 12.059 19.031 1.00 1.21 H new ATOM 0 HG13 ILE A 8 2.157 13.394 18.388 1.00 1.21 H new ATOM 0 HG21 ILE A 8 0.969 10.486 20.484 1.00 64.21 H new ATOM 0 HG22 ILE A 8 0.249 9.596 19.121 1.00 64.21 H new ATOM 0 HG23 ILE A 8 2.018 9.735 19.259 1.00 64.21 H new ATOM 0 HD11 ILE A 8 2.730 13.777 20.738 1.00 15.42 H new ATOM 0 HD12 ILE A 8 0.968 13.617 20.547 1.00 15.42 H new ATOM 0 HD13 ILE A 8 1.918 12.262 21.199 1.00 15.42 H new ATOM 129 N ASN A 9 -1.188 10.776 16.656 1.00 64.02 N ATOM 130 CA ASN A 9 -2.409 9.988 16.398 1.00 42.14 C ATOM 131 C ASN A 9 -2.341 9.282 15.042 1.00 11.41 C ATOM 132 O ASN A 9 -2.553 8.075 14.962 1.00 74.25 O ATOM 133 CB ASN A 9 -3.673 10.890 16.428 1.00 54.11 C ATOM 134 CG ASN A 9 -3.943 11.555 17.776 1.00 12.15 C ATOM 135 OD1 ASN A 9 -3.647 11.009 18.835 1.00 51.11 O ATOM 136 ND2 ASN A 9 -4.513 12.749 17.743 1.00 21.42 N ATOM 0 H ASN A 9 -1.377 11.761 16.843 1.00 64.02 H new ATOM 0 HA ASN A 9 -2.475 9.241 17.189 1.00 42.14 H new ATOM 0 HB2 ASN A 9 -3.569 11.665 15.669 1.00 54.11 H new ATOM 0 HB3 ASN A 9 -4.540 10.289 16.153 1.00 54.11 H new ATOM 0 HD21 ASN A 9 -4.718 13.241 18.613 1.00 21.42 H new ATOM 0 HD22 ASN A 9 -4.748 13.178 16.848 1.00 21.42 H new ATOM 143 N ARG A 10 -2.016 10.053 13.989 1.00 3.34 N ATOM 144 CA ARG A 10 -2.021 9.556 12.605 1.00 14.32 C ATOM 145 C ARG A 10 -0.905 8.529 12.383 1.00 35.05 C ATOM 146 O ARG A 10 -1.157 7.511 11.762 1.00 62.01 O ATOM 147 CB ARG A 10 -1.916 10.721 11.589 1.00 54.12 C ATOM 148 CG ARG A 10 -3.129 11.680 11.611 1.00 61.20 C ATOM 149 CD ARG A 10 -2.958 12.873 10.653 1.00 71.43 C ATOM 150 NE ARG A 10 -1.744 13.654 10.957 1.00 2.14 N ATOM 151 CZ ARG A 10 -1.554 14.949 10.661 1.00 25.22 C ATOM 152 NH1 ARG A 10 -2.495 15.666 10.048 1.00 61.23 N ATOM 153 NH2 ARG A 10 -0.413 15.530 11.001 1.00 12.42 N ATOM 0 H ARG A 10 -1.744 11.032 14.074 1.00 3.34 H new ATOM 0 HA ARG A 10 -2.974 9.055 12.437 1.00 14.32 H new ATOM 0 HB2 ARG A 10 -1.010 11.291 11.796 1.00 54.12 H new ATOM 0 HB3 ARG A 10 -1.810 10.308 10.586 1.00 54.12 H new ATOM 0 HG2 ARG A 10 -4.029 11.128 11.341 1.00 61.20 H new ATOM 0 HG3 ARG A 10 -3.276 12.051 12.625 1.00 61.20 H new ATOM 0 HD2 ARG A 10 -2.908 12.510 9.626 1.00 71.43 H new ATOM 0 HD3 ARG A 10 -3.832 13.520 10.720 1.00 71.43 H new ATOM 0 HE ARG A 10 -0.984 13.168 11.433 1.00 2.14 H new ATOM 0 HH11 ARG A 10 -3.382 15.232 9.794 1.00 61.23 H new ATOM 0 HH12 ARG A 10 -2.328 16.649 9.833 1.00 61.23 H new ATOM 0 HH21 ARG A 10 0.309 14.994 11.482 1.00 12.42 H new ATOM 0 HH22 ARG A 10 -0.256 16.514 10.782 1.00 12.42 H new ATOM 167 N TRP A 11 0.310 8.780 12.923 1.00 31.24 N ATOM 168 CA TRP A 11 1.420 7.801 12.836 1.00 5.13 C ATOM 169 C TRP A 11 1.068 6.491 13.564 1.00 10.20 C ATOM 170 O TRP A 11 1.393 5.399 13.074 1.00 72.34 O ATOM 171 CB TRP A 11 2.752 8.380 13.378 1.00 42.24 C ATOM 172 CG TRP A 11 3.457 9.313 12.420 1.00 25.22 C ATOM 173 CD1 TRP A 11 3.718 10.637 12.591 1.00 31.21 C ATOM 174 CD2 TRP A 11 3.996 8.972 11.130 1.00 13.34 C ATOM 175 NE1 TRP A 11 4.378 11.140 11.503 1.00 2.12 N ATOM 176 CE2 TRP A 11 4.562 10.140 10.597 1.00 53.22 C ATOM 177 CE3 TRP A 11 4.050 7.794 10.376 1.00 22.04 C ATOM 178 CZ2 TRP A 11 5.172 10.175 9.352 1.00 21.42 C ATOM 179 CZ3 TRP A 11 4.661 7.826 9.139 1.00 21.20 C ATOM 180 CH2 TRP A 11 5.216 9.014 8.641 1.00 74.33 C ATOM 0 H TRP A 11 0.546 9.640 13.418 1.00 31.24 H new ATOM 0 HA TRP A 11 1.562 7.581 11.778 1.00 5.13 H new ATOM 0 HB2 TRP A 11 2.552 8.914 14.307 1.00 42.24 H new ATOM 0 HB3 TRP A 11 3.421 7.555 13.623 1.00 42.24 H new ATOM 0 HD1 TRP A 11 3.443 11.211 13.463 1.00 31.21 H new ATOM 0 HE1 TRP A 11 4.683 12.107 11.389 1.00 2.12 H new ATOM 0 HE3 TRP A 11 3.622 6.878 10.755 1.00 22.04 H new ATOM 0 HZ2 TRP A 11 5.596 11.088 8.961 1.00 21.42 H new ATOM 0 HZ3 TRP A 11 4.712 6.924 8.547 1.00 21.20 H new ATOM 0 HH2 TRP A 11 5.690 9.008 7.670 1.00 74.33 H new ATOM 191 N GLN A 12 0.395 6.615 14.730 1.00 71.54 N ATOM 192 CA GLN A 12 -0.151 5.459 15.462 1.00 63.45 C ATOM 193 C GLN A 12 -1.098 4.659 14.557 1.00 54.13 C ATOM 194 O GLN A 12 -0.948 3.444 14.424 1.00 75.42 O ATOM 195 CB GLN A 12 -0.891 5.913 16.749 1.00 11.32 C ATOM 196 CG GLN A 12 -1.484 4.755 17.577 1.00 24.53 C ATOM 197 CD GLN A 12 -2.327 5.202 18.771 1.00 31.11 C ATOM 198 OE1 GLN A 12 -2.946 6.265 18.750 1.00 72.23 O ATOM 199 NE2 GLN A 12 -2.389 4.382 19.803 1.00 32.02 N ATOM 0 H GLN A 12 0.218 7.512 15.183 1.00 71.54 H new ATOM 0 HA GLN A 12 0.681 4.820 15.758 1.00 63.45 H new ATOM 0 HB2 GLN A 12 -0.197 6.475 17.375 1.00 11.32 H new ATOM 0 HB3 GLN A 12 -1.694 6.595 16.472 1.00 11.32 H new ATOM 0 HG2 GLN A 12 -2.099 4.135 16.925 1.00 24.53 H new ATOM 0 HG3 GLN A 12 -0.669 4.127 17.937 1.00 24.53 H new ATOM 0 HE21 GLN A 12 -1.864 3.507 19.792 1.00 32.02 H new ATOM 0 HE22 GLN A 12 -2.962 4.623 20.612 1.00 32.02 H new ATOM 208 N ARG A 13 -2.028 5.377 13.891 1.00 61.45 N ATOM 209 CA ARG A 13 -2.998 4.772 12.969 1.00 64.54 C ATOM 210 C ARG A 13 -2.275 4.072 11.794 1.00 34.13 C ATOM 211 O ARG A 13 -2.642 2.978 11.429 1.00 23.34 O ATOM 212 CB ARG A 13 -3.997 5.831 12.419 1.00 71.13 C ATOM 213 CG ARG A 13 -4.887 6.544 13.471 1.00 41.11 C ATOM 214 CD ARG A 13 -5.718 5.576 14.328 1.00 45.10 C ATOM 215 NE ARG A 13 -6.599 6.282 15.283 1.00 70.33 N ATOM 216 CZ ARG A 13 -6.363 6.429 16.602 1.00 71.33 C ATOM 217 NH1 ARG A 13 -5.268 5.926 17.163 1.00 1.53 N ATOM 218 NH2 ARG A 13 -7.234 7.080 17.360 1.00 42.34 N ATOM 0 H ARG A 13 -2.123 6.389 13.981 1.00 61.45 H new ATOM 0 HA ARG A 13 -3.562 4.029 13.532 1.00 64.54 H new ATOM 0 HB2 ARG A 13 -3.430 6.589 11.880 1.00 71.13 H new ATOM 0 HB3 ARG A 13 -4.648 5.344 11.693 1.00 71.13 H new ATOM 0 HG2 ARG A 13 -4.254 7.143 14.125 1.00 41.11 H new ATOM 0 HG3 ARG A 13 -5.559 7.233 12.960 1.00 41.11 H new ATOM 0 HD2 ARG A 13 -6.324 4.947 13.676 1.00 45.10 H new ATOM 0 HD3 ARG A 13 -5.048 4.914 14.877 1.00 45.10 H new ATOM 0 HE ARG A 13 -7.457 6.692 14.913 1.00 70.33 H new ATOM 0 HH11 ARG A 13 -4.590 5.419 16.594 1.00 1.53 H new ATOM 0 HH12 ARG A 13 -5.106 6.047 18.163 1.00 1.53 H new ATOM 0 HH21 ARG A 13 -8.081 7.469 16.945 1.00 42.34 H new ATOM 0 HH22 ARG A 13 -7.057 7.192 18.358 1.00 42.34 H new ATOM 232 N ILE A 14 -1.214 4.709 11.259 1.00 32.05 N ATOM 233 CA ILE A 14 -0.436 4.201 10.103 1.00 23.50 C ATOM 234 C ILE A 14 0.185 2.816 10.417 1.00 33.33 C ATOM 235 O ILE A 14 0.082 1.889 9.608 1.00 41.12 O ATOM 236 CB ILE A 14 0.665 5.268 9.686 1.00 11.22 C ATOM 237 CG1 ILE A 14 -0.014 6.531 9.065 1.00 30.53 C ATOM 238 CG2 ILE A 14 1.725 4.695 8.719 1.00 74.01 C ATOM 239 CD1 ILE A 14 0.903 7.727 8.836 1.00 31.44 C ATOM 0 H ILE A 14 -0.867 5.599 11.618 1.00 32.05 H new ATOM 0 HA ILE A 14 -1.106 4.059 9.255 1.00 23.50 H new ATOM 0 HB ILE A 14 1.194 5.548 10.597 1.00 11.22 H new ATOM 0 HG12 ILE A 14 -0.459 6.250 8.111 1.00 30.53 H new ATOM 0 HG13 ILE A 14 -0.829 6.841 9.718 1.00 30.53 H new ATOM 0 HG21 ILE A 14 2.449 5.471 8.471 1.00 74.01 H new ATOM 0 HG22 ILE A 14 2.238 3.859 9.195 1.00 74.01 H new ATOM 0 HG23 ILE A 14 1.237 4.350 7.808 1.00 74.01 H new ATOM 0 HD11 ILE A 14 0.330 8.547 8.402 1.00 31.44 H new ATOM 0 HD12 ILE A 14 1.330 8.046 9.787 1.00 31.44 H new ATOM 0 HD13 ILE A 14 1.706 7.445 8.154 1.00 31.44 H new ATOM 251 N ALA A 15 0.765 2.671 11.623 1.00 72.24 N ATOM 252 CA ALA A 15 1.380 1.397 12.063 1.00 74.53 C ATOM 253 C ALA A 15 0.317 0.315 12.352 1.00 3.22 C ATOM 254 O ALA A 15 0.511 -0.863 12.014 1.00 0.41 O ATOM 255 CB ALA A 15 2.261 1.628 13.293 1.00 72.43 C ATOM 0 H ALA A 15 0.822 3.419 12.314 1.00 72.24 H new ATOM 0 HA ALA A 15 2.002 1.032 11.246 1.00 74.53 H new ATOM 0 HB1 ALA A 15 2.706 0.683 13.605 1.00 72.43 H new ATOM 0 HB2 ALA A 15 3.051 2.337 13.047 1.00 72.43 H new ATOM 0 HB3 ALA A 15 1.654 2.029 14.105 1.00 72.43 H new ATOM 261 N LEU A 16 -0.806 0.727 12.978 1.00 1.11 N ATOM 262 CA LEU A 16 -1.913 -0.188 13.334 1.00 74.25 C ATOM 263 C LEU A 16 -2.618 -0.725 12.074 1.00 64.32 C ATOM 264 O LEU A 16 -2.946 -1.914 11.994 1.00 41.12 O ATOM 265 CB LEU A 16 -2.942 0.534 14.257 1.00 75.51 C ATOM 266 CG LEU A 16 -2.419 0.985 15.661 1.00 11.33 C ATOM 267 CD1 LEU A 16 -3.500 1.778 16.434 1.00 21.04 C ATOM 268 CD2 LEU A 16 -1.902 -0.218 16.479 1.00 3.22 C ATOM 0 H LEU A 16 -0.971 1.696 13.250 1.00 1.11 H new ATOM 0 HA LEU A 16 -1.487 -1.034 13.873 1.00 74.25 H new ATOM 0 HB2 LEU A 16 -3.314 1.414 13.732 1.00 75.51 H new ATOM 0 HB3 LEU A 16 -3.793 -0.131 14.407 1.00 75.51 H new ATOM 0 HG LEU A 16 -1.575 1.656 15.501 1.00 11.33 H new ATOM 0 HD11 LEU A 16 -3.107 2.077 17.405 1.00 21.04 H new ATOM 0 HD12 LEU A 16 -3.776 2.666 15.865 1.00 21.04 H new ATOM 0 HD13 LEU A 16 -4.379 1.150 16.577 1.00 21.04 H new ATOM 0 HD21 LEU A 16 -1.546 0.128 17.449 1.00 3.22 H new ATOM 0 HD22 LEU A 16 -2.711 -0.934 16.624 1.00 3.22 H new ATOM 0 HD23 LEU A 16 -1.084 -0.698 15.942 1.00 3.22 H new ATOM 280 N LEU A 17 -2.814 0.171 11.088 1.00 21.45 N ATOM 281 CA LEU A 17 -3.512 -0.142 9.833 1.00 73.34 C ATOM 282 C LEU A 17 -2.646 -1.067 8.979 1.00 10.24 C ATOM 283 O LEU A 17 -3.133 -2.106 8.553 1.00 4.04 O ATOM 284 CB LEU A 17 -3.891 1.161 9.054 1.00 44.14 C ATOM 285 CG LEU A 17 -4.998 2.059 9.714 1.00 64.03 C ATOM 286 CD1 LEU A 17 -5.180 3.391 8.948 1.00 11.15 C ATOM 287 CD2 LEU A 17 -6.329 1.293 9.837 1.00 71.43 C ATOM 0 H LEU A 17 -2.490 1.136 11.143 1.00 21.45 H new ATOM 0 HA LEU A 17 -4.444 -0.655 10.070 1.00 73.34 H new ATOM 0 HB2 LEU A 17 -2.990 1.762 8.930 1.00 44.14 H new ATOM 0 HB3 LEU A 17 -4.227 0.880 8.056 1.00 44.14 H new ATOM 0 HG LEU A 17 -4.664 2.310 10.721 1.00 64.03 H new ATOM 0 HD11 LEU A 17 -5.954 3.987 9.433 1.00 11.15 H new ATOM 0 HD12 LEU A 17 -4.241 3.944 8.951 1.00 11.15 H new ATOM 0 HD13 LEU A 17 -5.474 3.182 7.919 1.00 11.15 H new ATOM 0 HD21 LEU A 17 -7.078 1.937 10.297 1.00 71.43 H new ATOM 0 HD22 LEU A 17 -6.668 0.992 8.846 1.00 71.43 H new ATOM 0 HD23 LEU A 17 -6.183 0.407 10.455 1.00 71.43 H new ATOM 299 N SER A 18 -1.346 -0.711 8.799 1.00 43.15 N ATOM 300 CA SER A 18 -0.386 -1.516 8.004 1.00 43.10 C ATOM 301 C SER A 18 -0.288 -2.954 8.530 1.00 35.41 C ATOM 302 O SER A 18 -0.233 -3.897 7.750 1.00 65.12 O ATOM 303 CB SER A 18 1.019 -0.880 8.010 1.00 53.12 C ATOM 304 OG SER A 18 1.504 -0.690 9.328 1.00 43.15 O ATOM 0 H SER A 18 -0.939 0.135 9.198 1.00 43.15 H new ATOM 0 HA SER A 18 -0.766 -1.536 6.982 1.00 43.10 H new ATOM 0 HB2 SER A 18 1.709 -1.517 7.457 1.00 53.12 H new ATOM 0 HB3 SER A 18 0.986 0.079 7.493 1.00 53.12 H new ATOM 0 HG SER A 18 1.038 0.066 9.742 1.00 43.15 H new ATOM 310 N GLN A 19 -0.271 -3.074 9.867 1.00 62.04 N ATOM 311 CA GLN A 19 -0.253 -4.359 10.584 1.00 34.11 C ATOM 312 C GLN A 19 -1.497 -5.208 10.255 1.00 0.44 C ATOM 313 O GLN A 19 -1.376 -6.364 9.823 1.00 65.44 O ATOM 314 CB GLN A 19 -0.175 -4.051 12.096 1.00 21.23 C ATOM 315 CG GLN A 19 -0.072 -5.265 13.031 1.00 42.13 C ATOM 316 CD GLN A 19 -0.040 -4.875 14.515 1.00 15.21 C ATOM 317 OE1 GLN A 19 -0.764 -3.820 14.890 1.00 75.04 O flip ATOM 318 NE2 GLN A 19 0.607 -5.530 15.327 1.00 33.13 N flip ATOM 0 H GLN A 19 -0.269 -2.267 10.491 1.00 62.04 H new ATOM 0 HA GLN A 19 0.611 -4.946 10.272 1.00 34.11 H new ATOM 0 HB2 GLN A 19 0.689 -3.410 12.271 1.00 21.23 H new ATOM 0 HB3 GLN A 19 -1.059 -3.478 12.375 1.00 21.23 H new ATOM 0 HG2 GLN A 19 -0.919 -5.927 12.853 1.00 42.13 H new ATOM 0 HG3 GLN A 19 0.829 -5.828 12.789 1.00 42.13 H new ATOM 0 HE21 GLN A 19 1.153 -6.333 15.015 1.00 33.13 H new ATOM 0 HE22 GLN A 19 0.598 -5.271 16.314 1.00 33.13 H new ATOM 327 N SER A 20 -2.682 -4.589 10.422 1.00 73.35 N ATOM 328 CA SER A 20 -3.978 -5.261 10.214 1.00 43.30 C ATOM 329 C SER A 20 -4.137 -5.736 8.751 1.00 32.10 C ATOM 330 O SER A 20 -4.484 -6.898 8.501 1.00 55.33 O ATOM 331 CB SER A 20 -5.142 -4.320 10.608 1.00 54.53 C ATOM 332 OG SER A 20 -5.051 -3.933 11.973 1.00 11.11 O ATOM 0 H SER A 20 -2.767 -3.612 10.704 1.00 73.35 H new ATOM 0 HA SER A 20 -4.006 -6.142 10.855 1.00 43.30 H new ATOM 0 HB2 SER A 20 -5.127 -3.433 9.974 1.00 54.53 H new ATOM 0 HB3 SER A 20 -6.094 -4.821 10.432 1.00 54.53 H new ATOM 0 HG SER A 20 -4.368 -3.237 12.071 1.00 11.11 H new ATOM 338 N LEU A 21 -3.827 -4.835 7.792 1.00 25.44 N ATOM 339 CA LEU A 21 -3.972 -5.115 6.355 1.00 73.51 C ATOM 340 C LEU A 21 -2.845 -6.022 5.836 1.00 20.11 C ATOM 341 O LEU A 21 -2.999 -6.647 4.794 1.00 70.40 O ATOM 342 CB LEU A 21 -4.148 -3.794 5.529 1.00 13.34 C ATOM 343 CG LEU A 21 -2.995 -2.725 5.549 1.00 30.43 C ATOM 344 CD1 LEU A 21 -1.804 -3.110 4.666 1.00 24.51 C ATOM 345 CD2 LEU A 21 -3.516 -1.323 5.169 1.00 73.01 C ATOM 0 H LEU A 21 -3.472 -3.901 7.995 1.00 25.44 H new ATOM 0 HA LEU A 21 -4.892 -5.681 6.211 1.00 73.51 H new ATOM 0 HB2 LEU A 21 -4.318 -4.076 4.490 1.00 13.34 H new ATOM 0 HB3 LEU A 21 -5.057 -3.305 5.880 1.00 13.34 H new ATOM 0 HG LEU A 21 -2.634 -2.697 6.577 1.00 30.43 H new ATOM 0 HD11 LEU A 21 -1.043 -2.332 4.723 1.00 24.51 H new ATOM 0 HD12 LEU A 21 -1.384 -4.054 5.012 1.00 24.51 H new ATOM 0 HD13 LEU A 21 -2.136 -3.218 3.634 1.00 24.51 H new ATOM 0 HD21 LEU A 21 -2.692 -0.610 5.193 1.00 73.01 H new ATOM 0 HD22 LEU A 21 -3.941 -1.352 4.166 1.00 73.01 H new ATOM 0 HD23 LEU A 21 -4.283 -1.015 5.879 1.00 73.01 H new ATOM 357 N LEU A 22 -1.717 -6.096 6.570 1.00 31.41 N ATOM 358 CA LEU A 22 -0.627 -7.048 6.259 1.00 2.25 C ATOM 359 C LEU A 22 -1.127 -8.481 6.471 1.00 0.32 C ATOM 360 O LEU A 22 -0.903 -9.367 5.635 1.00 53.34 O ATOM 361 CB LEU A 22 0.614 -6.790 7.149 1.00 61.43 C ATOM 362 CG LEU A 22 1.829 -7.739 6.919 1.00 21.43 C ATOM 363 CD1 LEU A 22 2.426 -7.563 5.510 1.00 0.22 C ATOM 364 CD2 LEU A 22 2.894 -7.534 8.003 1.00 4.21 C ATOM 0 H LEU A 22 -1.535 -5.508 7.383 1.00 31.41 H new ATOM 0 HA LEU A 22 -0.333 -6.907 5.219 1.00 2.25 H new ATOM 0 HB2 LEU A 22 0.944 -5.764 6.989 1.00 61.43 H new ATOM 0 HB3 LEU A 22 0.310 -6.868 8.193 1.00 61.43 H new ATOM 0 HG LEU A 22 1.467 -8.765 6.991 1.00 21.43 H new ATOM 0 HD11 LEU A 22 3.271 -8.240 5.386 1.00 0.22 H new ATOM 0 HD12 LEU A 22 1.666 -7.789 4.762 1.00 0.22 H new ATOM 0 HD13 LEU A 22 2.764 -6.534 5.384 1.00 0.22 H new ATOM 0 HD21 LEU A 22 3.732 -8.207 7.822 1.00 4.21 H new ATOM 0 HD22 LEU A 22 3.245 -6.502 7.978 1.00 4.21 H new ATOM 0 HD23 LEU A 22 2.463 -7.747 8.981 1.00 4.21 H new ATOM 376 N GLU A 23 -1.825 -8.667 7.610 1.00 60.22 N ATOM 377 CA GLU A 23 -2.500 -9.924 7.957 1.00 51.52 C ATOM 378 C GLU A 23 -3.571 -10.271 6.900 1.00 4.35 C ATOM 379 O GLU A 23 -3.696 -11.427 6.496 1.00 20.34 O ATOM 380 CB GLU A 23 -3.128 -9.801 9.368 1.00 23.40 C ATOM 381 CG GLU A 23 -2.100 -9.529 10.491 1.00 50.14 C ATOM 382 CD GLU A 23 -2.742 -9.162 11.836 1.00 24.21 C ATOM 383 OE1 GLU A 23 -3.172 -10.075 12.576 1.00 42.53 O ATOM 384 OE2 GLU A 23 -2.820 -7.959 12.172 1.00 50.55 O ATOM 0 H GLU A 23 -1.934 -7.940 8.317 1.00 60.22 H new ATOM 0 HA GLU A 23 -1.771 -10.734 7.968 1.00 51.52 H new ATOM 0 HB2 GLU A 23 -3.863 -8.996 9.359 1.00 23.40 H new ATOM 0 HB3 GLU A 23 -3.666 -10.721 9.597 1.00 23.40 H new ATOM 0 HG2 GLU A 23 -1.478 -10.414 10.624 1.00 50.14 H new ATOM 0 HG3 GLU A 23 -1.440 -8.719 10.180 1.00 50.14 H new ATOM 391 N LEU A 24 -4.302 -9.235 6.437 1.00 11.55 N ATOM 392 CA LEU A 24 -5.326 -9.369 5.380 1.00 32.11 C ATOM 393 C LEU A 24 -4.691 -9.776 4.020 1.00 55.34 C ATOM 394 O LEU A 24 -5.242 -10.605 3.304 1.00 55.24 O ATOM 395 CB LEU A 24 -6.137 -8.044 5.245 1.00 45.52 C ATOM 396 CG LEU A 24 -6.925 -7.589 6.524 1.00 34.22 C ATOM 397 CD1 LEU A 24 -7.567 -6.198 6.332 1.00 15.23 C ATOM 398 CD2 LEU A 24 -7.974 -8.639 6.936 1.00 41.33 C ATOM 0 H LEU A 24 -4.199 -8.282 6.786 1.00 11.55 H new ATOM 0 HA LEU A 24 -6.010 -10.167 5.669 1.00 32.11 H new ATOM 0 HB2 LEU A 24 -5.449 -7.247 4.963 1.00 45.52 H new ATOM 0 HB3 LEU A 24 -6.847 -8.157 4.426 1.00 45.52 H new ATOM 0 HG LEU A 24 -6.205 -7.503 7.338 1.00 34.22 H new ATOM 0 HD11 LEU A 24 -8.104 -5.917 7.238 1.00 15.23 H new ATOM 0 HD12 LEU A 24 -6.788 -5.463 6.129 1.00 15.23 H new ATOM 0 HD13 LEU A 24 -8.263 -6.231 5.494 1.00 15.23 H new ATOM 0 HD21 LEU A 24 -8.503 -8.295 7.825 1.00 41.33 H new ATOM 0 HD22 LEU A 24 -8.685 -8.781 6.122 1.00 41.33 H new ATOM 0 HD23 LEU A 24 -7.477 -9.584 7.153 1.00 41.33 H new ATOM 410 N ALA A 25 -3.505 -9.221 3.710 1.00 25.41 N ATOM 411 CA ALA A 25 -2.795 -9.470 2.430 1.00 52.24 C ATOM 412 C ALA A 25 -2.311 -10.926 2.326 1.00 20.10 C ATOM 413 O ALA A 25 -2.496 -11.582 1.293 1.00 63.10 O ATOM 414 CB ALA A 25 -1.608 -8.502 2.278 1.00 31.42 C ATOM 0 H ALA A 25 -3.008 -8.587 4.335 1.00 25.41 H new ATOM 0 HA ALA A 25 -3.503 -9.295 1.620 1.00 52.24 H new ATOM 0 HB1 ALA A 25 -1.098 -8.697 1.335 1.00 31.42 H new ATOM 0 HB2 ALA A 25 -1.973 -7.475 2.287 1.00 31.42 H new ATOM 0 HB3 ALA A 25 -0.912 -8.647 3.104 1.00 31.42 H new ATOM 420 N GLN A 26 -1.702 -11.422 3.419 1.00 74.51 N ATOM 421 CA GLN A 26 -1.173 -12.800 3.487 1.00 3.41 C ATOM 422 C GLN A 26 -2.305 -13.821 3.697 1.00 23.13 C ATOM 423 O GLN A 26 -2.121 -15.010 3.431 1.00 3.44 O ATOM 424 CB GLN A 26 -0.086 -12.910 4.589 1.00 44.30 C ATOM 425 CG GLN A 26 -0.577 -12.646 6.027 1.00 61.43 C ATOM 426 CD GLN A 26 0.536 -12.588 7.080 1.00 74.34 C ATOM 427 OE1 GLN A 26 1.709 -12.082 6.714 1.00 51.54 O flip ATOM 428 NE2 GLN A 26 0.331 -12.963 8.235 1.00 55.43 N flip ATOM 0 H GLN A 26 -1.563 -10.885 4.275 1.00 74.51 H new ATOM 0 HA GLN A 26 -0.704 -13.036 2.532 1.00 3.41 H new ATOM 0 HB2 GLN A 26 0.349 -13.909 4.549 1.00 44.30 H new ATOM 0 HB3 GLN A 26 0.713 -12.205 4.360 1.00 44.30 H new ATOM 0 HG2 GLN A 26 -1.124 -11.703 6.043 1.00 61.43 H new ATOM 0 HG3 GLN A 26 -1.283 -13.429 6.306 1.00 61.43 H new ATOM 0 HE21 GLN A 26 -0.578 -13.348 8.492 1.00 55.43 H new ATOM 0 HE22 GLN A 26 1.070 -12.888 8.934 1.00 55.43 H new ATOM 437 N ARG A 27 -3.472 -13.342 4.180 1.00 61.50 N ATOM 438 CA ARG A 27 -4.713 -14.153 4.261 1.00 25.43 C ATOM 439 C ARG A 27 -5.420 -14.216 2.886 1.00 12.23 C ATOM 440 O ARG A 27 -6.247 -15.106 2.651 1.00 61.04 O ATOM 441 CB ARG A 27 -5.696 -13.580 5.350 1.00 45.51 C ATOM 442 CG ARG A 27 -5.967 -14.512 6.553 1.00 72.23 C ATOM 443 CD ARG A 27 -6.528 -15.883 6.131 1.00 20.34 C ATOM 444 NE ARG A 27 -7.733 -15.762 5.279 1.00 5.54 N ATOM 445 CZ ARG A 27 -8.349 -16.782 4.653 1.00 5.33 C ATOM 446 NH1 ARG A 27 -7.902 -18.029 4.768 1.00 21.01 N ATOM 447 NH2 ARG A 27 -9.402 -16.537 3.890 1.00 22.43 N ATOM 0 H ARG A 27 -3.583 -12.388 4.524 1.00 61.50 H new ATOM 0 HA ARG A 27 -4.428 -15.164 4.554 1.00 25.43 H new ATOM 0 HB2 ARG A 27 -5.289 -12.640 5.724 1.00 45.51 H new ATOM 0 HB3 ARG A 27 -6.647 -13.347 4.871 1.00 45.51 H new ATOM 0 HG2 ARG A 27 -5.041 -14.659 7.109 1.00 72.23 H new ATOM 0 HG3 ARG A 27 -6.672 -14.029 7.230 1.00 72.23 H new ATOM 0 HD2 ARG A 27 -5.759 -16.437 5.592 1.00 20.34 H new ATOM 0 HD3 ARG A 27 -6.773 -16.462 7.021 1.00 20.34 H new ATOM 0 HE ARG A 27 -8.128 -14.830 5.157 1.00 5.54 H new ATOM 0 HH11 ARG A 27 -7.079 -18.225 5.338 1.00 21.01 H new ATOM 0 HH12 ARG A 27 -8.382 -18.789 4.286 1.00 21.01 H new ATOM 0 HH21 ARG A 27 -9.741 -15.581 3.780 1.00 22.43 H new ATOM 0 HH22 ARG A 27 -9.875 -17.304 3.412 1.00 22.43 H new ATOM 461 N GLY A 28 -5.103 -13.253 1.997 1.00 44.50 N ATOM 462 CA GLY A 28 -5.742 -13.156 0.681 1.00 32.30 C ATOM 463 C GLY A 28 -7.047 -12.372 0.705 1.00 40.24 C ATOM 464 O GLY A 28 -7.805 -12.392 -0.270 1.00 44.34 O ATOM 0 H GLY A 28 -4.404 -12.531 2.174 1.00 44.50 H new ATOM 0 HA2 GLY A 28 -5.053 -12.680 -0.016 1.00 32.30 H new ATOM 0 HA3 GLY A 28 -5.936 -14.160 0.303 1.00 32.30 H new ATOM 468 N GLU A 29 -7.311 -11.690 1.829 1.00 51.21 N ATOM 469 CA GLU A 29 -8.447 -10.768 1.971 1.00 1.34 C ATOM 470 C GLU A 29 -8.200 -9.506 1.120 1.00 51.44 C ATOM 471 O GLU A 29 -7.708 -8.500 1.635 1.00 33.32 O ATOM 472 CB GLU A 29 -8.642 -10.360 3.459 1.00 13.51 C ATOM 473 CG GLU A 29 -8.740 -11.524 4.456 1.00 63.20 C ATOM 474 CD GLU A 29 -9.889 -12.491 4.148 1.00 44.14 C ATOM 475 OE1 GLU A 29 -11.065 -12.066 4.203 1.00 44.34 O ATOM 476 OE2 GLU A 29 -9.623 -13.679 3.869 1.00 34.32 O ATOM 0 H GLU A 29 -6.739 -11.763 2.670 1.00 51.21 H new ATOM 0 HA GLU A 29 -9.349 -11.274 1.627 1.00 1.34 H new ATOM 0 HB2 GLU A 29 -7.810 -9.721 3.754 1.00 13.51 H new ATOM 0 HB3 GLU A 29 -9.549 -9.760 3.537 1.00 13.51 H new ATOM 0 HG2 GLU A 29 -7.800 -12.075 4.454 1.00 63.20 H new ATOM 0 HG3 GLU A 29 -8.872 -11.123 5.461 1.00 63.20 H new ATOM 483 N TRP A 30 -8.496 -9.586 -0.189 1.00 1.13 N ATOM 484 CA TRP A 30 -8.223 -8.479 -1.129 1.00 64.53 C ATOM 485 C TRP A 30 -9.224 -7.341 -0.933 1.00 40.23 C ATOM 486 O TRP A 30 -8.840 -6.181 -0.915 1.00 23.14 O ATOM 487 CB TRP A 30 -8.218 -8.976 -2.601 1.00 3.03 C ATOM 488 CG TRP A 30 -7.284 -10.152 -2.841 1.00 1.44 C ATOM 489 CD1 TRP A 30 -7.584 -11.323 -3.486 1.00 1.22 C ATOM 490 CD2 TRP A 30 -5.909 -10.281 -2.414 1.00 53.11 C ATOM 491 NE1 TRP A 30 -6.500 -12.160 -3.475 1.00 41.04 N ATOM 492 CE2 TRP A 30 -5.463 -11.547 -2.833 1.00 12.24 C ATOM 493 CE3 TRP A 30 -5.012 -9.453 -1.727 1.00 43.53 C ATOM 494 CZ2 TRP A 30 -4.178 -12.001 -2.584 1.00 2.03 C ATOM 495 CZ3 TRP A 30 -3.735 -9.910 -1.477 1.00 3.23 C ATOM 496 CH2 TRP A 30 -3.328 -11.173 -1.906 1.00 1.45 C ATOM 0 H TRP A 30 -8.924 -10.404 -0.622 1.00 1.13 H new ATOM 0 HA TRP A 30 -7.227 -8.093 -0.911 1.00 64.53 H new ATOM 0 HB2 TRP A 30 -9.231 -9.263 -2.883 1.00 3.03 H new ATOM 0 HB3 TRP A 30 -7.927 -8.152 -3.253 1.00 3.03 H new ATOM 0 HD1 TRP A 30 -8.538 -11.553 -3.938 1.00 1.22 H new ATOM 0 HE1 TRP A 30 -6.472 -13.095 -3.883 1.00 41.04 H new ATOM 0 HE3 TRP A 30 -5.316 -8.470 -1.398 1.00 43.53 H new ATOM 0 HZ2 TRP A 30 -3.858 -12.978 -2.915 1.00 2.03 H new ATOM 0 HZ3 TRP A 30 -3.040 -9.281 -0.941 1.00 3.23 H new ATOM 0 HH2 TRP A 30 -2.321 -11.503 -1.698 1.00 1.45 H new ATOM 507 N ASP A 31 -10.499 -7.705 -0.733 1.00 35.22 N ATOM 508 CA ASP A 31 -11.602 -6.755 -0.477 1.00 44.21 C ATOM 509 C ASP A 31 -11.269 -5.843 0.720 1.00 3.54 C ATOM 510 O ASP A 31 -11.321 -4.608 0.631 1.00 11.40 O ATOM 511 CB ASP A 31 -12.899 -7.545 -0.167 1.00 42.30 C ATOM 512 CG ASP A 31 -13.334 -8.481 -1.306 1.00 23.40 C ATOM 513 OD1 ASP A 31 -14.223 -8.099 -2.099 1.00 52.20 O ATOM 514 OD2 ASP A 31 -12.785 -9.604 -1.416 1.00 0.10 O ATOM 0 H ASP A 31 -10.802 -8.679 -0.744 1.00 35.22 H new ATOM 0 HA ASP A 31 -11.741 -6.136 -1.364 1.00 44.21 H new ATOM 0 HB2 ASP A 31 -12.749 -8.133 0.739 1.00 42.30 H new ATOM 0 HB3 ASP A 31 -13.704 -6.840 0.040 1.00 42.30 H new ATOM 519 N LEU A 32 -10.866 -6.504 1.816 1.00 72.23 N ATOM 520 CA LEU A 32 -10.543 -5.858 3.088 1.00 25.23 C ATOM 521 C LEU A 32 -9.222 -5.061 2.980 1.00 51.13 C ATOM 522 O LEU A 32 -9.124 -3.962 3.511 1.00 65.12 O ATOM 523 CB LEU A 32 -10.480 -6.938 4.202 1.00 54.34 C ATOM 524 CG LEU A 32 -11.769 -7.812 4.383 1.00 62.33 C ATOM 525 CD1 LEU A 32 -11.588 -8.817 5.540 1.00 55.13 C ATOM 526 CD2 LEU A 32 -13.031 -6.938 4.579 1.00 20.34 C ATOM 0 H LEU A 32 -10.755 -7.518 1.839 1.00 72.23 H new ATOM 0 HA LEU A 32 -11.322 -5.140 3.345 1.00 25.23 H new ATOM 0 HB2 LEU A 32 -9.641 -7.602 3.991 1.00 54.34 H new ATOM 0 HB3 LEU A 32 -10.264 -6.443 5.149 1.00 54.34 H new ATOM 0 HG LEU A 32 -11.919 -8.380 3.465 1.00 62.33 H new ATOM 0 HD11 LEU A 32 -12.494 -9.414 5.649 1.00 55.13 H new ATOM 0 HD12 LEU A 32 -10.745 -9.473 5.323 1.00 55.13 H new ATOM 0 HD13 LEU A 32 -11.397 -8.275 6.466 1.00 55.13 H new ATOM 0 HD21 LEU A 32 -13.903 -7.580 4.701 1.00 20.34 H new ATOM 0 HD22 LEU A 32 -12.910 -6.318 5.467 1.00 20.34 H new ATOM 0 HD23 LEU A 32 -13.170 -6.299 3.707 1.00 20.34 H new ATOM 538 N LEU A 33 -8.240 -5.620 2.239 1.00 15.13 N ATOM 539 CA LEU A 33 -6.914 -4.985 2.004 1.00 44.11 C ATOM 540 C LEU A 33 -7.061 -3.618 1.298 1.00 13.42 C ATOM 541 O LEU A 33 -6.465 -2.618 1.713 1.00 54.43 O ATOM 542 CB LEU A 33 -6.026 -5.928 1.139 1.00 1.41 C ATOM 543 CG LEU A 33 -4.583 -5.427 0.820 1.00 53.42 C ATOM 544 CD1 LEU A 33 -3.744 -5.294 2.103 1.00 0.45 C ATOM 545 CD2 LEU A 33 -3.889 -6.340 -0.206 1.00 15.31 C ATOM 0 H LEU A 33 -8.340 -6.527 1.783 1.00 15.13 H new ATOM 0 HA LEU A 33 -6.443 -4.818 2.973 1.00 44.11 H new ATOM 0 HB2 LEU A 33 -5.949 -6.888 1.650 1.00 1.41 H new ATOM 0 HB3 LEU A 33 -6.540 -6.110 0.195 1.00 1.41 H new ATOM 0 HG LEU A 33 -4.669 -4.436 0.375 1.00 53.42 H new ATOM 0 HD11 LEU A 33 -2.744 -4.943 1.849 1.00 0.45 H new ATOM 0 HD12 LEU A 33 -4.219 -4.580 2.776 1.00 0.45 H new ATOM 0 HD13 LEU A 33 -3.674 -6.264 2.594 1.00 0.45 H new ATOM 0 HD21 LEU A 33 -2.886 -5.964 -0.407 1.00 15.31 H new ATOM 0 HD22 LEU A 33 -3.824 -7.352 0.193 1.00 15.31 H new ATOM 0 HD23 LEU A 33 -4.465 -6.351 -1.131 1.00 15.31 H new ATOM 557 N LEU A 34 -7.893 -3.607 0.249 1.00 53.41 N ATOM 558 CA LEU A 34 -8.152 -2.427 -0.599 1.00 15.32 C ATOM 559 C LEU A 34 -9.063 -1.419 0.120 1.00 61.51 C ATOM 560 O LEU A 34 -9.009 -0.214 -0.150 1.00 45.11 O ATOM 561 CB LEU A 34 -8.797 -2.907 -1.922 1.00 10.05 C ATOM 562 CG LEU A 34 -7.929 -3.903 -2.753 1.00 72.33 C ATOM 563 CD1 LEU A 34 -8.742 -4.533 -3.907 1.00 14.43 C ATOM 564 CD2 LEU A 34 -6.635 -3.229 -3.248 1.00 2.21 C ATOM 0 H LEU A 34 -8.417 -4.432 -0.043 1.00 53.41 H new ATOM 0 HA LEU A 34 -7.213 -1.916 -0.810 1.00 15.32 H new ATOM 0 HB2 LEU A 34 -9.750 -3.383 -1.693 1.00 10.05 H new ATOM 0 HB3 LEU A 34 -9.016 -2.036 -2.540 1.00 10.05 H new ATOM 0 HG LEU A 34 -7.632 -4.721 -2.097 1.00 72.33 H new ATOM 0 HD11 LEU A 34 -8.108 -5.221 -4.465 1.00 14.43 H new ATOM 0 HD12 LEU A 34 -9.594 -5.076 -3.498 1.00 14.43 H new ATOM 0 HD13 LEU A 34 -9.098 -3.747 -4.573 1.00 14.43 H new ATOM 0 HD21 LEU A 34 -6.049 -3.945 -3.824 1.00 2.21 H new ATOM 0 HD22 LEU A 34 -6.887 -2.376 -3.878 1.00 2.21 H new ATOM 0 HD23 LEU A 34 -6.052 -2.888 -2.392 1.00 2.21 H new ATOM 576 N GLN A 35 -9.906 -1.925 1.030 1.00 33.42 N ATOM 577 CA GLN A 35 -10.738 -1.079 1.898 1.00 15.25 C ATOM 578 C GLN A 35 -9.848 -0.336 2.923 1.00 45.21 C ATOM 579 O GLN A 35 -10.123 0.809 3.291 1.00 5.30 O ATOM 580 CB GLN A 35 -11.814 -1.945 2.613 1.00 74.25 C ATOM 581 CG GLN A 35 -12.889 -1.148 3.388 1.00 35.03 C ATOM 582 CD GLN A 35 -13.690 -0.152 2.530 1.00 35.34 C ATOM 583 OE1 GLN A 35 -14.112 0.898 3.019 1.00 74.14 O ATOM 584 NE2 GLN A 35 -13.941 -0.476 1.261 1.00 30.15 N ATOM 0 H GLN A 35 -10.031 -2.925 1.185 1.00 33.42 H new ATOM 0 HA GLN A 35 -11.251 -0.334 1.290 1.00 15.25 H new ATOM 0 HB2 GLN A 35 -12.311 -2.567 1.868 1.00 74.25 H new ATOM 0 HB3 GLN A 35 -11.313 -2.619 3.308 1.00 74.25 H new ATOM 0 HG2 GLN A 35 -13.583 -1.851 3.848 1.00 35.03 H new ATOM 0 HG3 GLN A 35 -12.405 -0.602 4.198 1.00 35.03 H new ATOM 0 HE21 GLN A 35 -13.582 -1.350 0.877 1.00 30.15 H new ATOM 0 HE22 GLN A 35 -14.492 0.150 0.674 1.00 30.15 H new ATOM 593 N GLN A 36 -8.764 -1.008 3.349 1.00 35.25 N ATOM 594 CA GLN A 36 -7.772 -0.458 4.290 1.00 65.32 C ATOM 595 C GLN A 36 -6.732 0.433 3.568 1.00 4.03 C ATOM 596 O GLN A 36 -6.108 1.283 4.209 1.00 3.51 O ATOM 597 CB GLN A 36 -7.063 -1.620 5.030 1.00 3.14 C ATOM 598 CG GLN A 36 -7.964 -2.446 5.968 1.00 1.55 C ATOM 599 CD GLN A 36 -8.460 -1.673 7.187 1.00 13.30 C ATOM 600 OE1 GLN A 36 -7.760 -0.810 7.719 1.00 32.53 O ATOM 601 NE2 GLN A 36 -9.673 -1.957 7.631 1.00 1.23 N ATOM 0 H GLN A 36 -8.550 -1.958 3.046 1.00 35.25 H new ATOM 0 HA GLN A 36 -8.296 0.171 5.010 1.00 65.32 H new ATOM 0 HB2 GLN A 36 -6.627 -2.289 4.289 1.00 3.14 H new ATOM 0 HB3 GLN A 36 -6.239 -1.209 5.613 1.00 3.14 H new ATOM 0 HG2 GLN A 36 -8.824 -2.807 5.404 1.00 1.55 H new ATOM 0 HG3 GLN A 36 -7.413 -3.323 6.306 1.00 1.55 H new ATOM 0 HE21 GLN A 36 -10.229 -2.677 7.170 1.00 1.23 H new ATOM 0 HE22 GLN A 36 -10.052 -1.456 8.435 1.00 1.23 H new ATOM 610 N GLU A 37 -6.560 0.212 2.240 1.00 60.42 N ATOM 611 CA GLU A 37 -5.658 1.000 1.356 1.00 62.22 C ATOM 612 C GLU A 37 -5.891 2.506 1.534 1.00 13.11 C ATOM 613 O GLU A 37 -4.964 3.260 1.850 1.00 24.23 O ATOM 614 CB GLU A 37 -5.929 0.626 -0.131 1.00 30.30 C ATOM 615 CG GLU A 37 -5.149 1.447 -1.184 1.00 54.11 C ATOM 616 CD GLU A 37 -5.653 1.248 -2.627 1.00 41.00 C ATOM 617 OE1 GLU A 37 -5.711 0.096 -3.091 1.00 34.21 O ATOM 618 OE2 GLU A 37 -5.997 2.256 -3.298 1.00 64.55 O ATOM 0 H GLU A 37 -7.052 -0.531 1.743 1.00 60.42 H new ATOM 0 HA GLU A 37 -4.628 0.766 1.627 1.00 62.22 H new ATOM 0 HB2 GLU A 37 -5.690 -0.428 -0.270 1.00 30.30 H new ATOM 0 HB3 GLU A 37 -6.995 0.740 -0.326 1.00 30.30 H new ATOM 0 HG2 GLU A 37 -5.216 2.505 -0.929 1.00 54.11 H new ATOM 0 HG3 GLU A 37 -4.095 1.173 -1.136 1.00 54.11 H new ATOM 625 N VAL A 38 -7.164 2.904 1.352 1.00 53.45 N ATOM 626 CA VAL A 38 -7.575 4.309 1.352 1.00 40.22 C ATOM 627 C VAL A 38 -7.252 4.997 2.694 1.00 13.54 C ATOM 628 O VAL A 38 -6.708 6.090 2.701 1.00 64.42 O ATOM 629 CB VAL A 38 -9.101 4.473 0.993 1.00 53.13 C ATOM 630 CG1 VAL A 38 -9.397 3.925 -0.419 1.00 11.35 C ATOM 631 CG2 VAL A 38 -10.026 3.808 2.040 1.00 34.01 C ATOM 0 H VAL A 38 -7.935 2.253 1.201 1.00 53.45 H new ATOM 0 HA VAL A 38 -6.996 4.805 0.573 1.00 40.22 H new ATOM 0 HB VAL A 38 -9.316 5.542 1.006 1.00 53.13 H new ATOM 0 HG11 VAL A 38 -10.456 4.050 -0.643 1.00 11.35 H new ATOM 0 HG12 VAL A 38 -8.804 4.471 -1.153 1.00 11.35 H new ATOM 0 HG13 VAL A 38 -9.140 2.867 -0.460 1.00 11.35 H new ATOM 0 HG21 VAL A 38 -11.067 3.949 1.748 1.00 34.01 H new ATOM 0 HG22 VAL A 38 -9.806 2.742 2.095 1.00 34.01 H new ATOM 0 HG23 VAL A 38 -9.858 4.264 3.016 1.00 34.01 H new ATOM 641 N SER A 39 -7.537 4.306 3.812 1.00 62.13 N ATOM 642 CA SER A 39 -7.350 4.838 5.172 1.00 52.41 C ATOM 643 C SER A 39 -5.853 5.042 5.478 1.00 1.31 C ATOM 644 O SER A 39 -5.406 6.144 5.832 1.00 2.24 O ATOM 645 CB SER A 39 -7.974 3.844 6.184 1.00 3.52 C ATOM 646 OG SER A 39 -9.302 3.510 5.809 1.00 34.34 O ATOM 0 H SER A 39 -7.906 3.355 3.796 1.00 62.13 H new ATOM 0 HA SER A 39 -7.842 5.807 5.252 1.00 52.41 H new ATOM 0 HB2 SER A 39 -7.367 2.940 6.234 1.00 3.52 H new ATOM 0 HB3 SER A 39 -7.973 4.284 7.181 1.00 3.52 H new ATOM 0 HG SER A 39 -9.677 2.880 6.460 1.00 34.34 H new ATOM 652 N TYR A 40 -5.108 3.952 5.276 1.00 43.14 N ATOM 653 CA TYR A 40 -3.678 3.836 5.578 1.00 22.42 C ATOM 654 C TYR A 40 -2.839 4.864 4.799 1.00 55.22 C ATOM 655 O TYR A 40 -2.129 5.701 5.401 1.00 72.51 O ATOM 656 CB TYR A 40 -3.249 2.381 5.251 1.00 52.54 C ATOM 657 CG TYR A 40 -1.746 2.105 5.274 1.00 34.23 C ATOM 658 CD1 TYR A 40 -0.968 2.432 6.382 1.00 53.12 C ATOM 659 CD2 TYR A 40 -1.109 1.504 4.184 1.00 23.32 C ATOM 660 CE1 TYR A 40 0.381 2.173 6.398 1.00 23.34 C ATOM 661 CE2 TYR A 40 0.242 1.242 4.203 1.00 70.01 C ATOM 662 CZ TYR A 40 0.982 1.578 5.313 1.00 24.20 C ATOM 663 OH TYR A 40 2.334 1.320 5.346 1.00 52.12 O ATOM 0 H TYR A 40 -5.498 3.095 4.884 1.00 43.14 H new ATOM 0 HA TYR A 40 -3.503 4.053 6.632 1.00 22.42 H new ATOM 0 HB2 TYR A 40 -3.732 1.712 5.963 1.00 52.54 H new ATOM 0 HB3 TYR A 40 -3.631 2.124 4.263 1.00 52.54 H new ATOM 0 HD1 TYR A 40 -1.432 2.895 7.240 1.00 53.12 H new ATOM 0 HD2 TYR A 40 -1.688 1.241 3.311 1.00 23.32 H new ATOM 0 HE1 TYR A 40 0.971 2.437 7.264 1.00 23.34 H new ATOM 0 HE2 TYR A 40 0.718 0.776 3.353 1.00 70.01 H new ATOM 0 HH TYR A 40 2.668 1.440 6.260 1.00 52.12 H new ATOM 673 N LEU A 41 -2.938 4.796 3.462 1.00 64.50 N ATOM 674 CA LEU A 41 -2.173 5.658 2.564 1.00 41.25 C ATOM 675 C LEU A 41 -2.557 7.139 2.762 1.00 14.02 C ATOM 676 O LEU A 41 -1.669 7.977 2.798 1.00 45.55 O ATOM 677 CB LEU A 41 -2.358 5.207 1.088 1.00 63.02 C ATOM 678 CG LEU A 41 -1.788 3.789 0.729 1.00 71.01 C ATOM 679 CD1 LEU A 41 -2.126 3.401 -0.729 1.00 42.10 C ATOM 680 CD2 LEU A 41 -0.263 3.721 0.987 1.00 32.42 C ATOM 0 H LEU A 41 -3.552 4.140 2.979 1.00 64.50 H new ATOM 0 HA LEU A 41 -1.115 5.563 2.809 1.00 41.25 H new ATOM 0 HB2 LEU A 41 -3.423 5.219 0.855 1.00 63.02 H new ATOM 0 HB3 LEU A 41 -1.882 5.943 0.441 1.00 63.02 H new ATOM 0 HG LEU A 41 -2.270 3.062 1.383 1.00 71.01 H new ATOM 0 HD11 LEU A 41 -1.718 2.414 -0.947 1.00 42.10 H new ATOM 0 HD12 LEU A 41 -3.208 3.383 -0.859 1.00 42.10 H new ATOM 0 HD13 LEU A 41 -1.691 4.132 -1.410 1.00 42.10 H new ATOM 0 HD21 LEU A 41 0.106 2.728 0.730 1.00 32.42 H new ATOM 0 HD22 LEU A 41 0.243 4.466 0.373 1.00 32.42 H new ATOM 0 HD23 LEU A 41 -0.063 3.921 2.040 1.00 32.42 H new ATOM 692 N GLN A 42 -3.874 7.438 2.945 1.00 22.04 N ATOM 693 CA GLN A 42 -4.365 8.828 3.173 1.00 53.41 C ATOM 694 C GLN A 42 -3.706 9.466 4.404 1.00 64.42 C ATOM 695 O GLN A 42 -3.375 10.654 4.390 1.00 74.13 O ATOM 696 CB GLN A 42 -5.900 8.841 3.347 1.00 73.10 C ATOM 697 CG GLN A 42 -6.554 10.232 3.442 1.00 22.21 C ATOM 698 CD GLN A 42 -8.067 10.194 3.717 1.00 72.54 C ATOM 699 OE1 GLN A 42 -8.612 11.098 4.351 1.00 21.52 O ATOM 700 NE2 GLN A 42 -8.766 9.173 3.230 1.00 74.10 N ATOM 0 H GLN A 42 -4.614 6.736 2.939 1.00 22.04 H new ATOM 0 HA GLN A 42 -4.094 9.414 2.295 1.00 53.41 H new ATOM 0 HB2 GLN A 42 -6.346 8.308 2.508 1.00 73.10 H new ATOM 0 HB3 GLN A 42 -6.149 8.281 4.249 1.00 73.10 H new ATOM 0 HG2 GLN A 42 -6.065 10.799 4.234 1.00 22.21 H new ATOM 0 HG3 GLN A 42 -6.378 10.770 2.510 1.00 22.21 H new ATOM 0 HE21 GLN A 42 -8.294 8.435 2.708 1.00 74.10 H new ATOM 0 HE22 GLN A 42 -9.774 9.128 3.379 1.00 74.10 H new ATOM 709 N SER A 43 -3.531 8.655 5.463 1.00 63.41 N ATOM 710 CA SER A 43 -2.856 9.083 6.700 1.00 25.53 C ATOM 711 C SER A 43 -1.373 9.458 6.439 1.00 15.13 C ATOM 712 O SER A 43 -0.893 10.492 6.932 1.00 55.53 O ATOM 713 CB SER A 43 -2.965 7.974 7.758 1.00 0.22 C ATOM 714 OG SER A 43 -4.321 7.630 7.998 1.00 1.21 O ATOM 0 H SER A 43 -3.853 7.687 5.485 1.00 63.41 H new ATOM 0 HA SER A 43 -3.352 9.980 7.072 1.00 25.53 H new ATOM 0 HB2 SER A 43 -2.416 7.093 7.424 1.00 0.22 H new ATOM 0 HB3 SER A 43 -2.501 8.306 8.687 1.00 0.22 H new ATOM 0 HG SER A 43 -4.674 7.135 7.229 1.00 1.21 H new ATOM 720 N ILE A 44 -0.664 8.616 5.650 1.00 41.34 N ATOM 721 CA ILE A 44 0.747 8.882 5.252 1.00 24.20 C ATOM 722 C ILE A 44 0.840 10.175 4.396 1.00 34.13 C ATOM 723 O ILE A 44 1.701 11.045 4.615 1.00 21.13 O ATOM 724 CB ILE A 44 1.360 7.680 4.434 1.00 45.54 C ATOM 725 CG1 ILE A 44 1.180 6.324 5.187 1.00 21.04 C ATOM 726 CG2 ILE A 44 2.854 7.936 4.132 1.00 74.23 C ATOM 727 CD1 ILE A 44 1.651 5.095 4.413 1.00 70.13 C ATOM 0 H ILE A 44 -1.042 7.746 5.275 1.00 41.34 H new ATOM 0 HA ILE A 44 1.319 9.006 6.172 1.00 24.20 H new ATOM 0 HB ILE A 44 0.818 7.611 3.491 1.00 45.54 H new ATOM 0 HG12 ILE A 44 1.725 6.373 6.130 1.00 21.04 H new ATOM 0 HG13 ILE A 44 0.126 6.199 5.434 1.00 21.04 H new ATOM 0 HG21 ILE A 44 3.260 7.097 3.567 1.00 74.23 H new ATOM 0 HG22 ILE A 44 2.956 8.850 3.547 1.00 74.23 H new ATOM 0 HG23 ILE A 44 3.402 8.042 5.069 1.00 74.23 H new ATOM 0 HD11 ILE A 44 1.487 4.201 5.015 1.00 70.13 H new ATOM 0 HD12 ILE A 44 1.090 5.014 3.482 1.00 70.13 H new ATOM 0 HD13 ILE A 44 2.713 5.191 4.189 1.00 70.13 H new ATOM 739 N GLU A 45 -0.092 10.286 3.440 1.00 54.00 N ATOM 740 CA GLU A 45 -0.172 11.413 2.508 1.00 74.32 C ATOM 741 C GLU A 45 -0.383 12.719 3.287 1.00 73.31 C ATOM 742 O GLU A 45 0.365 13.667 3.100 1.00 22.05 O ATOM 743 CB GLU A 45 -1.318 11.178 1.469 1.00 32.24 C ATOM 744 CG GLU A 45 -1.071 9.981 0.517 1.00 21.34 C ATOM 745 CD GLU A 45 -2.274 9.640 -0.383 1.00 32.35 C ATOM 746 OE1 GLU A 45 -2.296 10.048 -1.560 1.00 40.22 O ATOM 747 OE2 GLU A 45 -3.198 8.940 0.071 1.00 25.23 O ATOM 0 H GLU A 45 -0.819 9.586 3.292 1.00 54.00 H new ATOM 0 HA GLU A 45 0.765 11.492 1.957 1.00 74.32 H new ATOM 0 HB2 GLU A 45 -2.253 11.015 2.005 1.00 32.24 H new ATOM 0 HB3 GLU A 45 -1.445 12.082 0.874 1.00 32.24 H new ATOM 0 HG2 GLU A 45 -0.210 10.202 -0.113 1.00 21.34 H new ATOM 0 HG3 GLU A 45 -0.814 9.104 1.111 1.00 21.34 H new ATOM 754 N THR A 46 -1.337 12.710 4.245 1.00 41.04 N ATOM 755 CA THR A 46 -1.777 13.932 4.940 1.00 53.10 C ATOM 756 C THR A 46 -0.735 14.423 5.973 1.00 53.52 C ATOM 757 O THR A 46 -0.636 15.634 6.207 1.00 60.13 O ATOM 758 CB THR A 46 -3.198 13.769 5.600 1.00 54.33 C ATOM 759 OG1 THR A 46 -3.736 15.059 5.933 1.00 23.21 O ATOM 760 CG2 THR A 46 -3.184 12.889 6.865 1.00 60.33 C ATOM 0 H THR A 46 -1.816 11.864 4.553 1.00 41.04 H new ATOM 0 HA THR A 46 -1.865 14.701 4.172 1.00 53.10 H new ATOM 0 HB THR A 46 -3.824 13.268 4.862 1.00 54.33 H new ATOM 0 HG1 THR A 46 -4.620 14.949 6.341 1.00 23.21 H new ATOM 0 HG21 THR A 46 -4.194 12.818 7.270 1.00 60.33 H new ATOM 0 HG22 THR A 46 -2.824 11.892 6.611 1.00 60.33 H new ATOM 0 HG23 THR A 46 -2.525 13.334 7.610 1.00 60.33 H new ATOM 768 N VAL A 47 0.061 13.503 6.586 1.00 20.31 N ATOM 769 CA VAL A 47 1.178 13.927 7.468 1.00 73.33 C ATOM 770 C VAL A 47 2.292 14.587 6.632 1.00 52.34 C ATOM 771 O VAL A 47 2.958 15.515 7.101 1.00 51.54 O ATOM 772 CB VAL A 47 1.781 12.768 8.363 1.00 2.02 C ATOM 773 CG1 VAL A 47 0.705 12.157 9.282 1.00 34.40 C ATOM 774 CG2 VAL A 47 2.473 11.673 7.528 1.00 14.22 C ATOM 0 H VAL A 47 -0.047 12.493 6.489 1.00 20.31 H new ATOM 0 HA VAL A 47 0.749 14.646 8.165 1.00 73.33 H new ATOM 0 HB VAL A 47 2.549 13.226 8.986 1.00 2.02 H new ATOM 0 HG11 VAL A 47 1.148 11.364 9.884 1.00 34.40 H new ATOM 0 HG12 VAL A 47 0.305 12.930 9.938 1.00 34.40 H new ATOM 0 HG13 VAL A 47 -0.100 11.744 8.675 1.00 34.40 H new ATOM 0 HG21 VAL A 47 2.868 10.904 8.192 1.00 14.22 H new ATOM 0 HG22 VAL A 47 1.751 11.226 6.844 1.00 14.22 H new ATOM 0 HG23 VAL A 47 3.290 12.113 6.956 1.00 14.22 H new ATOM 784 N MET A 48 2.466 14.109 5.380 1.00 43.23 N ATOM 785 CA MET A 48 3.452 14.677 4.442 1.00 64.25 C ATOM 786 C MET A 48 2.933 15.959 3.753 1.00 33.30 C ATOM 787 O MET A 48 3.740 16.791 3.328 1.00 55.23 O ATOM 788 CB MET A 48 3.872 13.610 3.408 1.00 40.42 C ATOM 789 CG MET A 48 4.595 12.413 4.033 1.00 45.44 C ATOM 790 SD MET A 48 6.072 12.910 4.956 1.00 62.14 S ATOM 791 CE MET A 48 6.594 11.357 5.686 1.00 3.52 C ATOM 0 H MET A 48 1.933 13.328 4.997 1.00 43.23 H new ATOM 0 HA MET A 48 4.330 14.972 5.017 1.00 64.25 H new ATOM 0 HB2 MET A 48 2.986 13.256 2.881 1.00 40.42 H new ATOM 0 HB3 MET A 48 4.522 14.071 2.664 1.00 40.42 H new ATOM 0 HG2 MET A 48 3.912 11.886 4.700 1.00 45.44 H new ATOM 0 HG3 MET A 48 4.878 11.712 3.248 1.00 45.44 H new ATOM 0 HE1 MET A 48 7.329 11.551 6.467 1.00 3.52 H new ATOM 0 HE2 MET A 48 5.731 10.850 6.117 1.00 3.52 H new ATOM 0 HE3 MET A 48 7.040 10.725 4.918 1.00 3.52 H new ATOM 801 N GLU A 49 1.596 16.136 3.655 1.00 12.52 N ATOM 802 CA GLU A 49 1.001 17.404 3.155 1.00 55.33 C ATOM 803 C GLU A 49 1.038 18.472 4.256 1.00 40.54 C ATOM 804 O GLU A 49 1.030 19.670 3.973 1.00 14.22 O ATOM 805 CB GLU A 49 -0.454 17.221 2.626 1.00 62.00 C ATOM 806 CG GLU A 49 -0.618 16.167 1.500 1.00 33.33 C ATOM 807 CD GLU A 49 0.499 16.204 0.433 1.00 51.04 C ATOM 808 OE1 GLU A 49 1.426 15.360 0.486 1.00 31.31 O ATOM 809 OE2 GLU A 49 0.457 17.074 -0.462 1.00 71.12 O ATOM 0 H GLU A 49 0.911 15.426 3.912 1.00 12.52 H new ATOM 0 HA GLU A 49 1.605 17.729 2.308 1.00 55.33 H new ATOM 0 HB2 GLU A 49 -1.095 16.940 3.462 1.00 62.00 H new ATOM 0 HB3 GLU A 49 -0.814 18.182 2.258 1.00 62.00 H new ATOM 0 HG2 GLU A 49 -0.645 15.174 1.948 1.00 33.33 H new ATOM 0 HG3 GLU A 49 -1.579 16.322 1.010 1.00 33.33 H new ATOM 816 N LYS A 50 1.080 18.015 5.521 1.00 22.11 N ATOM 817 CA LYS A 50 1.318 18.887 6.688 1.00 74.52 C ATOM 818 C LYS A 50 2.845 19.114 6.872 1.00 2.21 C ATOM 819 O LYS A 50 3.273 19.825 7.786 1.00 63.42 O ATOM 820 CB LYS A 50 0.666 18.253 7.967 1.00 4.11 C ATOM 821 CG LYS A 50 0.465 19.225 9.160 1.00 43.25 C ATOM 822 CD LYS A 50 -0.309 20.500 8.742 1.00 23.33 C ATOM 823 CE LYS A 50 -0.683 21.409 9.922 1.00 64.13 C ATOM 824 NZ LYS A 50 -1.724 20.799 10.785 1.00 33.35 N ATOM 0 H LYS A 50 0.950 17.033 5.764 1.00 22.11 H new ATOM 0 HA LYS A 50 0.853 19.859 6.524 1.00 74.52 H new ATOM 0 HB2 LYS A 50 -0.303 17.836 7.692 1.00 4.11 H new ATOM 0 HB3 LYS A 50 1.288 17.422 8.298 1.00 4.11 H new ATOM 0 HG2 LYS A 50 -0.078 18.715 9.956 1.00 43.25 H new ATOM 0 HG3 LYS A 50 1.436 19.507 9.566 1.00 43.25 H new ATOM 0 HD2 LYS A 50 0.297 21.067 8.036 1.00 23.33 H new ATOM 0 HD3 LYS A 50 -1.219 20.207 8.218 1.00 23.33 H new ATOM 0 HE2 LYS A 50 0.207 21.615 10.517 1.00 64.13 H new ATOM 0 HE3 LYS A 50 -1.041 22.366 9.543 1.00 64.13 H new ATOM 0 HZ1 LYS A 50 -1.814 21.350 11.662 1.00 33.35 H new ATOM 0 HZ2 LYS A 50 -2.634 20.797 10.282 1.00 33.35 H new ATOM 0 HZ3 LYS A 50 -1.454 19.822 11.016 1.00 33.35 H new ATOM 838 N GLN A 51 3.645 18.455 5.987 1.00 52.43 N ATOM 839 CA GLN A 51 5.116 18.580 5.893 1.00 1.14 C ATOM 840 C GLN A 51 5.838 17.968 7.111 1.00 54.33 C ATOM 841 O GLN A 51 7.068 18.092 7.215 1.00 11.30 O ATOM 842 CB GLN A 51 5.557 20.065 5.639 1.00 23.21 C ATOM 843 CG GLN A 51 5.034 20.658 4.311 1.00 60.43 C ATOM 844 CD GLN A 51 5.440 22.117 4.041 1.00 63.12 C ATOM 845 OE1 GLN A 51 5.613 22.520 2.890 1.00 64.44 O ATOM 846 NE2 GLN A 51 5.546 22.937 5.077 1.00 31.03 N ATOM 0 H GLN A 51 3.265 17.803 5.301 1.00 52.43 H new ATOM 0 HA GLN A 51 5.424 17.997 5.025 1.00 1.14 H new ATOM 0 HB2 GLN A 51 5.205 20.684 6.465 1.00 23.21 H new ATOM 0 HB3 GLN A 51 6.646 20.116 5.644 1.00 23.21 H new ATOM 0 HG2 GLN A 51 5.394 20.039 3.489 1.00 60.43 H new ATOM 0 HG3 GLN A 51 3.946 20.593 4.306 1.00 60.43 H new ATOM 0 HE21 GLN A 51 5.399 22.585 6.023 1.00 31.03 H new ATOM 0 HE22 GLN A 51 5.774 23.920 4.928 1.00 31.03 H new ATOM 855 N THR A 52 5.067 17.252 7.973 1.00 72.12 N ATOM 856 CA THR A 52 5.534 16.696 9.261 1.00 75.14 C ATOM 857 C THR A 52 5.984 17.834 10.225 1.00 64.31 C ATOM 858 O THR A 52 7.047 18.430 10.007 1.00 55.43 O ATOM 859 CB THR A 52 6.661 15.616 9.053 1.00 15.42 C ATOM 860 OG1 THR A 52 6.117 14.483 8.353 1.00 4.24 O ATOM 861 CG2 THR A 52 7.285 15.139 10.372 1.00 14.43 C ATOM 0 H THR A 52 4.086 17.044 7.784 1.00 72.12 H new ATOM 0 HA THR A 52 4.694 16.183 9.730 1.00 75.14 H new ATOM 0 HB THR A 52 7.452 16.091 8.472 1.00 15.42 H new ATOM 0 HG1 THR A 52 6.819 13.812 8.222 1.00 4.24 H new ATOM 0 HG21 THR A 52 8.054 14.396 10.163 1.00 14.43 H new ATOM 0 HG22 THR A 52 7.731 15.987 10.891 1.00 14.43 H new ATOM 0 HG23 THR A 52 6.513 14.695 11.000 1.00 14.43 H new ATOM 869 N PRO A 53 5.158 18.170 11.287 1.00 22.12 N ATOM 870 CA PRO A 53 5.495 19.221 12.297 1.00 55.33 C ATOM 871 C PRO A 53 6.955 19.105 12.832 1.00 70.41 C ATOM 872 O PRO A 53 7.350 18.024 13.255 1.00 11.30 O ATOM 873 CB PRO A 53 4.459 18.959 13.421 1.00 44.22 C ATOM 874 CG PRO A 53 3.263 18.411 12.701 1.00 60.14 C ATOM 875 CD PRO A 53 3.820 17.559 11.574 1.00 73.22 C ATOM 0 HA PRO A 53 5.449 20.227 11.879 1.00 55.33 H new ATOM 0 HB2 PRO A 53 4.840 18.250 14.156 1.00 44.22 H new ATOM 0 HB3 PRO A 53 4.215 19.875 13.958 1.00 44.22 H new ATOM 0 HG2 PRO A 53 2.641 17.817 13.370 1.00 60.14 H new ATOM 0 HG3 PRO A 53 2.637 19.214 12.313 1.00 60.14 H new ATOM 0 HD2 PRO A 53 3.913 16.515 11.872 1.00 73.22 H new ATOM 0 HD3 PRO A 53 3.173 17.584 10.697 1.00 73.22 H new ATOM 883 N PRO A 54 7.790 20.194 12.751 1.00 15.35 N ATOM 884 CA PRO A 54 9.214 20.157 13.198 1.00 32.03 C ATOM 885 C PRO A 54 9.390 20.177 14.736 1.00 72.42 C ATOM 886 O PRO A 54 10.425 19.728 15.243 1.00 61.12 O ATOM 887 CB PRO A 54 9.816 21.419 12.526 1.00 34.11 C ATOM 888 CG PRO A 54 8.666 22.376 12.414 1.00 71.04 C ATOM 889 CD PRO A 54 7.439 21.518 12.165 1.00 11.54 C ATOM 0 HA PRO A 54 9.708 19.228 12.913 1.00 32.03 H new ATOM 0 HB2 PRO A 54 10.624 21.839 13.125 1.00 34.11 H new ATOM 0 HB3 PRO A 54 10.233 21.185 11.547 1.00 34.11 H new ATOM 0 HG2 PRO A 54 8.555 22.963 13.326 1.00 71.04 H new ATOM 0 HG3 PRO A 54 8.822 23.082 11.598 1.00 71.04 H new ATOM 0 HD2 PRO A 54 6.554 21.942 12.641 1.00 11.54 H new ATOM 0 HD3 PRO A 54 7.220 21.436 11.100 1.00 11.54 H new ATOM 897 N GLY A 55 8.377 20.683 15.466 1.00 30.24 N ATOM 898 CA GLY A 55 8.456 20.827 16.929 1.00 2.23 C ATOM 899 C GLY A 55 8.098 19.541 17.668 1.00 65.01 C ATOM 900 O GLY A 55 7.043 19.448 18.312 1.00 53.45 O ATOM 0 H GLY A 55 7.494 20.999 15.064 1.00 30.24 H new ATOM 0 HA2 GLY A 55 9.465 21.131 17.206 1.00 2.23 H new ATOM 0 HA3 GLY A 55 7.784 21.624 17.248 1.00 2.23 H new ATOM 904 N ILE A 56 8.993 18.539 17.561 1.00 10.44 N ATOM 905 CA ILE A 56 8.789 17.181 18.105 1.00 70.21 C ATOM 906 C ILE A 56 9.902 16.864 19.122 1.00 71.24 C ATOM 907 O ILE A 56 11.083 16.916 18.774 1.00 3.01 O ATOM 908 CB ILE A 56 8.815 16.106 16.947 1.00 71.44 C ATOM 909 CG1 ILE A 56 7.782 16.445 15.823 1.00 55.32 C ATOM 910 CG2 ILE A 56 8.601 14.672 17.482 1.00 32.33 C ATOM 911 CD1 ILE A 56 6.335 16.607 16.269 1.00 11.20 C ATOM 0 H ILE A 56 9.890 18.651 17.088 1.00 10.44 H new ATOM 0 HA ILE A 56 7.816 17.144 18.594 1.00 70.21 H new ATOM 0 HB ILE A 56 9.811 16.144 16.507 1.00 71.44 H new ATOM 0 HG12 ILE A 56 8.096 17.368 15.336 1.00 55.32 H new ATOM 0 HG13 ILE A 56 7.823 15.657 15.071 1.00 55.32 H new ATOM 0 HG21 ILE A 56 8.626 13.966 16.652 1.00 32.33 H new ATOM 0 HG22 ILE A 56 9.391 14.427 18.191 1.00 32.33 H new ATOM 0 HG23 ILE A 56 7.634 14.610 17.981 1.00 32.33 H new ATOM 0 HD11 ILE A 56 5.712 16.840 15.405 1.00 11.20 H new ATOM 0 HD12 ILE A 56 5.989 15.680 16.726 1.00 11.20 H new ATOM 0 HD13 ILE A 56 6.267 17.417 16.995 1.00 11.20 H new ATOM 923 N THR A 57 9.518 16.552 20.372 1.00 1.41 N ATOM 924 CA THR A 57 10.463 16.104 21.414 1.00 41.44 C ATOM 925 C THR A 57 10.887 14.644 21.162 1.00 21.03 C ATOM 926 O THR A 57 10.211 13.914 20.435 1.00 51.33 O ATOM 927 CB THR A 57 9.849 16.239 22.851 1.00 70.53 C ATOM 928 OG1 THR A 57 10.786 15.785 23.843 1.00 51.32 O ATOM 929 CG2 THR A 57 8.539 15.452 23.008 1.00 42.41 C ATOM 0 H THR A 57 8.550 16.602 20.689 1.00 1.41 H new ATOM 0 HA THR A 57 11.339 16.750 21.360 1.00 41.44 H new ATOM 0 HB THR A 57 9.629 17.297 22.995 1.00 70.53 H new ATOM 0 HG1 THR A 57 10.389 15.877 24.734 1.00 51.32 H new ATOM 0 HG21 THR A 57 8.157 15.580 24.021 1.00 42.41 H new ATOM 0 HG22 THR A 57 7.804 15.823 22.293 1.00 42.41 H new ATOM 0 HG23 THR A 57 8.725 14.394 22.821 1.00 42.41 H new ATOM 937 N ARG A 58 11.968 14.215 21.831 1.00 53.21 N ATOM 938 CA ARG A 58 12.583 12.888 21.614 1.00 23.11 C ATOM 939 C ARG A 58 11.677 11.720 22.089 1.00 10.41 C ATOM 940 O ARG A 58 11.872 10.587 21.657 1.00 43.23 O ATOM 941 CB ARG A 58 14.013 12.830 22.267 1.00 35.12 C ATOM 942 CG ARG A 58 14.195 13.614 23.599 1.00 64.13 C ATOM 943 CD ARG A 58 13.335 13.106 24.778 1.00 70.25 C ATOM 944 NE ARG A 58 13.479 13.966 25.972 1.00 52.43 N ATOM 945 CZ ARG A 58 12.667 13.958 27.049 1.00 1.51 C ATOM 946 NH1 ARG A 58 11.635 13.114 27.118 1.00 41.12 N ATOM 947 NH2 ARG A 58 12.887 14.804 28.049 1.00 24.52 N ATOM 0 H ARG A 58 12.444 14.775 22.539 1.00 53.21 H new ATOM 0 HA ARG A 58 12.695 12.754 20.538 1.00 23.11 H new ATOM 0 HB2 ARG A 58 14.264 11.785 22.448 1.00 35.12 H new ATOM 0 HB3 ARG A 58 14.735 13.211 21.544 1.00 35.12 H new ATOM 0 HG2 ARG A 58 15.245 13.569 23.889 1.00 64.13 H new ATOM 0 HG3 ARG A 58 13.958 14.663 23.421 1.00 64.13 H new ATOM 0 HD2 ARG A 58 12.288 13.074 24.477 1.00 70.25 H new ATOM 0 HD3 ARG A 58 13.626 12.086 25.027 1.00 70.25 H new ATOM 0 HE ARG A 58 14.260 14.622 25.982 1.00 52.43 H new ATOM 0 HH11 ARG A 58 11.454 12.466 26.351 1.00 41.12 H new ATOM 0 HH12 ARG A 58 11.028 13.117 27.937 1.00 41.12 H new ATOM 0 HH21 ARG A 58 13.669 15.458 28.001 1.00 24.52 H new ATOM 0 HH22 ARG A 58 12.274 14.800 28.865 1.00 24.52 H new ATOM 961 N SER A 59 10.678 12.016 22.947 1.00 23.23 N ATOM 962 CA SER A 59 9.679 11.018 23.397 1.00 61.42 C ATOM 963 C SER A 59 8.694 10.672 22.266 1.00 20.20 C ATOM 964 O SER A 59 8.386 9.502 22.016 1.00 11.32 O ATOM 965 CB SER A 59 8.910 11.568 24.610 1.00 10.43 C ATOM 966 OG SER A 59 9.779 11.802 25.698 1.00 3.45 O ATOM 0 H SER A 59 10.540 12.945 23.346 1.00 23.23 H new ATOM 0 HA SER A 59 10.206 10.106 23.679 1.00 61.42 H new ATOM 0 HB2 SER A 59 8.407 12.495 24.336 1.00 10.43 H new ATOM 0 HB3 SER A 59 8.135 10.860 24.905 1.00 10.43 H new ATOM 0 HG SER A 59 9.267 12.153 26.456 1.00 3.45 H new ATOM 972 N ILE A 60 8.224 11.725 21.587 1.00 41.44 N ATOM 973 CA ILE A 60 7.275 11.613 20.475 1.00 32.11 C ATOM 974 C ILE A 60 8.000 11.083 19.234 1.00 3.55 C ATOM 975 O ILE A 60 7.454 10.275 18.488 1.00 12.41 O ATOM 976 CB ILE A 60 6.598 13.002 20.186 1.00 75.05 C ATOM 977 CG1 ILE A 60 5.823 13.486 21.444 1.00 24.35 C ATOM 978 CG2 ILE A 60 5.666 12.942 18.953 1.00 22.44 C ATOM 979 CD1 ILE A 60 5.236 14.881 21.343 1.00 35.33 C ATOM 0 H ILE A 60 8.494 12.686 21.796 1.00 41.44 H new ATOM 0 HA ILE A 60 6.486 10.911 20.744 1.00 32.11 H new ATOM 0 HB ILE A 60 7.385 13.720 19.956 1.00 75.05 H new ATOM 0 HG12 ILE A 60 5.015 12.783 21.646 1.00 24.35 H new ATOM 0 HG13 ILE A 60 6.496 13.453 22.301 1.00 24.35 H new ATOM 0 HG21 ILE A 60 5.218 13.922 18.788 1.00 22.44 H new ATOM 0 HG22 ILE A 60 6.243 12.654 18.074 1.00 22.44 H new ATOM 0 HG23 ILE A 60 4.879 12.208 19.127 1.00 22.44 H new ATOM 0 HD11 ILE A 60 4.716 15.125 22.269 1.00 35.33 H new ATOM 0 HD12 ILE A 60 6.037 15.601 21.176 1.00 35.33 H new ATOM 0 HD13 ILE A 60 4.533 14.920 20.511 1.00 35.33 H new ATOM 991 N GLN A 61 9.252 11.541 19.057 1.00 14.12 N ATOM 992 CA GLN A 61 10.148 11.096 17.979 1.00 30.44 C ATOM 993 C GLN A 61 10.460 9.592 18.129 1.00 75.20 C ATOM 994 O GLN A 61 10.601 8.890 17.132 1.00 50.04 O ATOM 995 CB GLN A 61 11.445 11.949 17.991 1.00 21.23 C ATOM 996 CG GLN A 61 12.457 11.626 16.881 1.00 63.51 C ATOM 997 CD GLN A 61 13.651 12.581 16.864 1.00 33.23 C ATOM 998 OE1 GLN A 61 14.671 12.339 17.516 1.00 44.52 O ATOM 999 NE2 GLN A 61 13.527 13.690 16.144 1.00 15.40 N ATOM 0 H GLN A 61 9.674 12.240 19.668 1.00 14.12 H new ATOM 0 HA GLN A 61 9.656 11.237 17.017 1.00 30.44 H new ATOM 0 HB2 GLN A 61 11.169 13.000 17.913 1.00 21.23 H new ATOM 0 HB3 GLN A 61 11.936 11.819 18.956 1.00 21.23 H new ATOM 0 HG2 GLN A 61 12.817 10.605 17.011 1.00 63.51 H new ATOM 0 HG3 GLN A 61 11.953 11.666 15.915 1.00 63.51 H new ATOM 0 HE21 GLN A 61 12.672 13.862 15.616 1.00 15.40 H new ATOM 0 HE22 GLN A 61 14.287 14.370 16.119 1.00 15.40 H new ATOM 1008 N ASP A 62 10.543 9.118 19.393 1.00 53.35 N ATOM 1009 CA ASP A 62 10.697 7.682 19.721 1.00 14.02 C ATOM 1010 C ASP A 62 9.456 6.875 19.291 1.00 52.03 C ATOM 1011 O ASP A 62 9.585 5.858 18.597 1.00 53.41 O ATOM 1012 CB ASP A 62 10.952 7.502 21.243 1.00 33.44 C ATOM 1013 CG ASP A 62 10.922 6.031 21.709 1.00 33.42 C ATOM 1014 OD1 ASP A 62 9.953 5.617 22.385 1.00 13.33 O ATOM 1015 OD2 ASP A 62 11.871 5.284 21.402 1.00 20.11 O ATOM 0 H ASP A 62 10.505 9.721 20.215 1.00 53.35 H new ATOM 0 HA ASP A 62 11.556 7.301 19.168 1.00 14.02 H new ATOM 0 HB2 ASP A 62 11.921 7.933 21.493 1.00 33.44 H new ATOM 0 HB3 ASP A 62 10.200 8.064 21.797 1.00 33.44 H new ATOM 1020 N MET A 63 8.258 7.352 19.705 1.00 45.21 N ATOM 1021 CA MET A 63 6.972 6.687 19.392 1.00 21.14 C ATOM 1022 C MET A 63 6.799 6.520 17.880 1.00 32.32 C ATOM 1023 O MET A 63 6.578 5.406 17.385 1.00 70.44 O ATOM 1024 CB MET A 63 5.763 7.479 19.965 1.00 73.43 C ATOM 1025 CG MET A 63 5.697 7.561 21.494 1.00 21.55 C ATOM 1026 SD MET A 63 4.117 8.225 22.076 1.00 62.44 S ATOM 1027 CE MET A 63 4.052 9.825 21.268 1.00 44.44 C ATOM 0 H MET A 63 8.156 8.201 20.261 1.00 45.21 H new ATOM 0 HA MET A 63 6.998 5.705 19.864 1.00 21.14 H new ATOM 0 HB2 MET A 63 5.791 8.492 19.564 1.00 73.43 H new ATOM 0 HB3 MET A 63 4.844 7.019 19.603 1.00 73.43 H new ATOM 0 HG2 MET A 63 5.849 6.568 21.916 1.00 21.55 H new ATOM 0 HG3 MET A 63 6.510 8.190 21.858 1.00 21.55 H new ATOM 0 HE1 MET A 63 3.060 10.258 21.397 1.00 44.44 H new ATOM 0 HE2 MET A 63 4.797 10.486 21.710 1.00 44.44 H new ATOM 0 HE3 MET A 63 4.259 9.704 20.205 1.00 44.44 H new ATOM 1037 N VAL A 64 6.948 7.638 17.154 1.00 74.13 N ATOM 1038 CA VAL A 64 6.684 7.683 15.713 1.00 42.52 C ATOM 1039 C VAL A 64 7.792 7.003 14.908 1.00 70.31 C ATOM 1040 O VAL A 64 7.518 6.481 13.848 1.00 23.21 O ATOM 1041 CB VAL A 64 6.408 9.137 15.202 1.00 63.44 C ATOM 1042 CG1 VAL A 64 5.227 9.768 15.993 1.00 51.15 C ATOM 1043 CG2 VAL A 64 7.681 10.011 15.247 1.00 33.24 C ATOM 0 H VAL A 64 7.253 8.528 17.548 1.00 74.13 H new ATOM 0 HA VAL A 64 5.769 7.114 15.549 1.00 42.52 H new ATOM 0 HB VAL A 64 6.116 9.085 14.153 1.00 63.44 H new ATOM 0 HG11 VAL A 64 5.044 10.779 15.629 1.00 51.15 H new ATOM 0 HG12 VAL A 64 4.331 9.164 15.852 1.00 51.15 H new ATOM 0 HG13 VAL A 64 5.477 9.804 17.053 1.00 51.15 H new ATOM 0 HG21 VAL A 64 7.448 11.012 14.885 1.00 33.24 H new ATOM 0 HG22 VAL A 64 8.044 10.072 16.273 1.00 33.24 H new ATOM 0 HG23 VAL A 64 8.450 9.566 14.615 1.00 33.24 H new ATOM 1053 N ALA A 65 9.034 6.978 15.431 1.00 12.03 N ATOM 1054 CA ALA A 65 10.122 6.181 14.827 1.00 41.12 C ATOM 1055 C ALA A 65 9.772 4.681 14.871 1.00 33.11 C ATOM 1056 O ALA A 65 10.075 3.939 13.934 1.00 1.14 O ATOM 1057 CB ALA A 65 11.458 6.445 15.527 1.00 52.20 C ATOM 0 H ALA A 65 9.308 7.497 16.265 1.00 12.03 H new ATOM 0 HA ALA A 65 10.228 6.486 13.786 1.00 41.12 H new ATOM 0 HB1 ALA A 65 12.238 5.844 15.060 1.00 52.20 H new ATOM 0 HB2 ALA A 65 11.712 7.501 15.440 1.00 52.20 H new ATOM 0 HB3 ALA A 65 11.376 6.178 16.581 1.00 52.20 H new ATOM 1063 N GLY A 66 9.098 4.265 15.965 1.00 21.32 N ATOM 1064 CA GLY A 66 8.565 2.906 16.085 1.00 3.12 C ATOM 1065 C GLY A 66 7.443 2.637 15.086 1.00 35.43 C ATOM 1066 O GLY A 66 7.411 1.574 14.453 1.00 64.21 O ATOM 0 H GLY A 66 8.914 4.858 16.774 1.00 21.32 H new ATOM 0 HA2 GLY A 66 9.369 2.187 15.928 1.00 3.12 H new ATOM 0 HA3 GLY A 66 8.192 2.752 17.098 1.00 3.12 H new ATOM 1070 N TYR A 67 6.545 3.630 14.921 1.00 24.31 N ATOM 1071 CA TYR A 67 5.393 3.529 14.010 1.00 62.42 C ATOM 1072 C TYR A 67 5.841 3.441 12.532 1.00 60.25 C ATOM 1073 O TYR A 67 5.316 2.618 11.769 1.00 23.24 O ATOM 1074 CB TYR A 67 4.428 4.729 14.203 1.00 32.13 C ATOM 1075 CG TYR A 67 3.785 4.832 15.605 1.00 30.41 C ATOM 1076 CD1 TYR A 67 3.643 6.067 16.252 1.00 63.22 C ATOM 1077 CD2 TYR A 67 3.321 3.699 16.278 1.00 15.32 C ATOM 1078 CE1 TYR A 67 3.070 6.164 17.508 1.00 52.22 C ATOM 1079 CE2 TYR A 67 2.745 3.796 17.533 1.00 43.43 C ATOM 1080 CZ TYR A 67 2.624 5.027 18.144 1.00 13.43 C ATOM 1081 OH TYR A 67 2.048 5.113 19.398 1.00 4.23 O ATOM 0 H TYR A 67 6.600 4.521 15.415 1.00 24.31 H new ATOM 0 HA TYR A 67 4.865 2.609 14.259 1.00 62.42 H new ATOM 0 HB2 TYR A 67 4.974 5.651 14.002 1.00 32.13 H new ATOM 0 HB3 TYR A 67 3.634 4.660 13.460 1.00 32.13 H new ATOM 0 HD1 TYR A 67 3.989 6.964 15.759 1.00 63.22 H new ATOM 0 HD2 TYR A 67 3.413 2.730 15.811 1.00 15.32 H new ATOM 0 HE1 TYR A 67 2.973 7.127 17.987 1.00 52.22 H new ATOM 0 HE2 TYR A 67 2.390 2.908 18.034 1.00 43.43 H new ATOM 0 HH TYR A 67 1.788 4.218 19.701 1.00 4.23 H new ATOM 1091 N ILE A 68 6.831 4.285 12.151 1.00 11.21 N ATOM 1092 CA ILE A 68 7.381 4.321 10.781 1.00 24.03 C ATOM 1093 C ILE A 68 8.137 3.011 10.501 1.00 23.22 C ATOM 1094 O ILE A 68 7.982 2.427 9.438 1.00 63.33 O ATOM 1095 CB ILE A 68 8.360 5.545 10.528 1.00 34.24 C ATOM 1096 CG1 ILE A 68 7.676 6.912 10.841 1.00 2.35 C ATOM 1097 CG2 ILE A 68 8.885 5.543 9.066 1.00 42.33 C ATOM 1098 CD1 ILE A 68 8.618 8.113 10.852 1.00 5.01 C ATOM 0 H ILE A 68 7.266 4.956 12.784 1.00 11.21 H new ATOM 0 HA ILE A 68 6.534 4.442 10.106 1.00 24.03 H new ATOM 0 HB ILE A 68 9.201 5.423 11.210 1.00 34.24 H new ATOM 0 HG12 ILE A 68 6.894 7.088 10.102 1.00 2.35 H new ATOM 0 HG13 ILE A 68 7.187 6.843 11.813 1.00 2.35 H new ATOM 0 HG21 ILE A 68 9.553 6.391 8.918 1.00 42.33 H new ATOM 0 HG22 ILE A 68 9.427 4.617 8.875 1.00 42.33 H new ATOM 0 HG23 ILE A 68 8.044 5.620 8.377 1.00 42.33 H new ATOM 0 HD11 ILE A 68 8.052 9.017 11.078 1.00 5.01 H new ATOM 0 HD12 ILE A 68 9.386 7.966 11.611 1.00 5.01 H new ATOM 0 HD13 ILE A 68 9.089 8.215 9.874 1.00 5.01 H new ATOM 1110 N LYS A 69 8.929 2.549 11.492 1.00 5.41 N ATOM 1111 CA LYS A 69 9.760 1.333 11.354 1.00 42.40 C ATOM 1112 C LYS A 69 8.889 0.107 11.003 1.00 53.40 C ATOM 1113 O LYS A 69 9.164 -0.602 10.023 1.00 64.21 O ATOM 1114 CB LYS A 69 10.560 1.055 12.655 1.00 44.32 C ATOM 1115 CG LYS A 69 11.599 -0.085 12.532 1.00 64.34 C ATOM 1116 CD LYS A 69 12.199 -0.510 13.893 1.00 14.04 C ATOM 1117 CE LYS A 69 11.179 -1.197 14.820 1.00 24.11 C ATOM 1118 NZ LYS A 69 11.800 -1.578 16.120 1.00 63.45 N ATOM 0 H LYS A 69 9.011 3.003 12.402 1.00 5.41 H new ATOM 0 HA LYS A 69 10.465 1.507 10.541 1.00 42.40 H new ATOM 0 HB2 LYS A 69 11.074 1.969 12.954 1.00 44.32 H new ATOM 0 HB3 LYS A 69 9.859 0.808 13.453 1.00 44.32 H new ATOM 0 HG2 LYS A 69 11.127 -0.949 12.064 1.00 64.34 H new ATOM 0 HG3 LYS A 69 12.404 0.235 11.871 1.00 64.34 H new ATOM 0 HD2 LYS A 69 13.035 -1.188 13.718 1.00 14.04 H new ATOM 0 HD3 LYS A 69 12.601 0.370 14.395 1.00 14.04 H new ATOM 0 HE2 LYS A 69 10.338 -0.527 14.999 1.00 24.11 H new ATOM 0 HE3 LYS A 69 10.780 -2.086 14.331 1.00 24.11 H new ATOM 0 HZ1 LYS A 69 11.089 -2.038 16.723 1.00 63.45 H new ATOM 0 HZ2 LYS A 69 12.587 -2.236 15.949 1.00 63.45 H new ATOM 0 HZ3 LYS A 69 12.158 -0.726 16.597 1.00 63.45 H new ATOM 1132 N GLN A 70 7.808 -0.089 11.780 1.00 55.00 N ATOM 1133 CA GLN A 70 6.892 -1.226 11.595 1.00 11.11 C ATOM 1134 C GLN A 70 6.139 -1.091 10.267 1.00 51.23 C ATOM 1135 O GLN A 70 5.984 -2.072 9.539 1.00 51.42 O ATOM 1136 CB GLN A 70 5.896 -1.323 12.779 1.00 2.32 C ATOM 1137 CG GLN A 70 6.550 -1.648 14.144 1.00 13.34 C ATOM 1138 CD GLN A 70 5.545 -1.803 15.295 1.00 52.21 C ATOM 1139 OE1 GLN A 70 4.354 -2.331 15.015 1.00 72.03 O flip ATOM 1140 NE2 GLN A 70 5.844 -1.466 16.443 1.00 62.01 N flip ATOM 0 H GLN A 70 7.548 0.531 12.547 1.00 55.00 H new ATOM 0 HA GLN A 70 7.480 -2.143 11.569 1.00 11.11 H new ATOM 0 HB2 GLN A 70 5.359 -0.378 12.864 1.00 2.32 H new ATOM 0 HB3 GLN A 70 5.156 -2.091 12.553 1.00 2.32 H new ATOM 0 HG2 GLN A 70 7.125 -2.569 14.050 1.00 13.34 H new ATOM 0 HG3 GLN A 70 7.256 -0.856 14.395 1.00 13.34 H new ATOM 0 HE21 GLN A 70 6.762 -1.064 16.634 1.00 62.01 H new ATOM 0 HE22 GLN A 70 5.174 -1.589 17.202 1.00 62.01 H new ATOM 1149 N THR A 71 5.725 0.145 9.937 1.00 41.01 N ATOM 1150 CA THR A 71 4.944 0.407 8.724 1.00 11.14 C ATOM 1151 C THR A 71 5.813 0.207 7.454 1.00 1.21 C ATOM 1152 O THR A 71 5.292 -0.155 6.412 1.00 62.54 O ATOM 1153 CB THR A 71 4.255 1.823 8.768 1.00 23.33 C ATOM 1154 OG1 THR A 71 3.004 1.765 8.090 1.00 24.43 O ATOM 1155 CG2 THR A 71 5.094 2.956 8.147 1.00 12.53 C ATOM 0 H THR A 71 5.920 0.976 10.496 1.00 41.01 H new ATOM 0 HA THR A 71 4.135 -0.323 8.679 1.00 11.14 H new ATOM 0 HB THR A 71 4.134 2.061 9.825 1.00 23.33 H new ATOM 0 HG1 THR A 71 2.277 1.737 8.747 1.00 24.43 H new ATOM 0 HG21 THR A 71 4.546 3.896 8.219 1.00 12.53 H new ATOM 0 HG22 THR A 71 6.039 3.045 8.683 1.00 12.53 H new ATOM 0 HG23 THR A 71 5.291 2.730 7.099 1.00 12.53 H new ATOM 1163 N LEU A 72 7.148 0.405 7.586 1.00 10.15 N ATOM 1164 CA LEU A 72 8.131 0.134 6.509 1.00 74.52 C ATOM 1165 C LEU A 72 8.243 -1.366 6.240 1.00 51.54 C ATOM 1166 O LEU A 72 8.203 -1.800 5.086 1.00 0.54 O ATOM 1167 CB LEU A 72 9.539 0.687 6.886 1.00 43.31 C ATOM 1168 CG LEU A 72 9.695 2.233 6.861 1.00 53.33 C ATOM 1169 CD1 LEU A 72 11.068 2.672 7.425 1.00 72.10 C ATOM 1170 CD2 LEU A 72 9.465 2.758 5.434 1.00 54.23 C ATOM 0 H LEU A 72 7.573 0.758 8.444 1.00 10.15 H new ATOM 0 HA LEU A 72 7.775 0.638 5.610 1.00 74.52 H new ATOM 0 HB2 LEU A 72 9.790 0.333 7.886 1.00 43.31 H new ATOM 0 HB3 LEU A 72 10.271 0.257 6.202 1.00 43.31 H new ATOM 0 HG LEU A 72 8.938 2.672 7.511 1.00 53.33 H new ATOM 0 HD11 LEU A 72 11.144 3.759 7.393 1.00 72.10 H new ATOM 0 HD12 LEU A 72 11.163 2.332 8.456 1.00 72.10 H new ATOM 0 HD13 LEU A 72 11.865 2.235 6.824 1.00 72.10 H new ATOM 0 HD21 LEU A 72 9.576 3.842 5.423 1.00 54.23 H new ATOM 0 HD22 LEU A 72 10.196 2.312 4.760 1.00 54.23 H new ATOM 0 HD23 LEU A 72 8.460 2.493 5.106 1.00 54.23 H new ATOM 1182 N ASP A 73 8.405 -2.134 7.335 1.00 11.34 N ATOM 1183 CA ASP A 73 8.526 -3.599 7.287 1.00 24.55 C ATOM 1184 C ASP A 73 7.301 -4.205 6.592 1.00 44.30 C ATOM 1185 O ASP A 73 7.430 -4.915 5.597 1.00 63.15 O ATOM 1186 CB ASP A 73 8.669 -4.167 8.725 1.00 64.22 C ATOM 1187 CG ASP A 73 8.679 -5.707 8.770 1.00 3.42 C ATOM 1188 OD1 ASP A 73 7.643 -6.317 9.122 1.00 21.41 O ATOM 1189 OD2 ASP A 73 9.727 -6.314 8.452 1.00 64.20 O ATOM 0 H ASP A 73 8.455 -1.752 8.279 1.00 11.34 H new ATOM 0 HA ASP A 73 9.416 -3.864 6.717 1.00 24.55 H new ATOM 0 HB2 ASP A 73 9.591 -3.791 9.167 1.00 64.22 H new ATOM 0 HB3 ASP A 73 7.847 -3.797 9.338 1.00 64.22 H new ATOM 1194 N ASN A 74 6.125 -3.824 7.104 1.00 23.50 N ATOM 1195 CA ASN A 74 4.820 -4.345 6.668 1.00 33.11 C ATOM 1196 C ASN A 74 4.550 -3.999 5.195 1.00 63.31 C ATOM 1197 O ASN A 74 4.160 -4.867 4.413 1.00 4.45 O ATOM 1198 CB ASN A 74 3.704 -3.767 7.581 1.00 1.02 C ATOM 1199 CG ASN A 74 3.765 -4.231 9.056 1.00 14.31 C ATOM 1200 OD1 ASN A 74 2.761 -4.207 9.752 1.00 51.33 O ATOM 1201 ND2 ASN A 74 4.917 -4.712 9.540 1.00 44.24 N ATOM 0 H ASN A 74 6.050 -3.131 7.848 1.00 23.50 H new ATOM 0 HA ASN A 74 4.828 -5.432 6.753 1.00 33.11 H new ATOM 0 HB2 ASN A 74 3.760 -2.679 7.555 1.00 1.02 H new ATOM 0 HB3 ASN A 74 2.735 -4.046 7.167 1.00 1.02 H new ATOM 0 HD21 ASN A 74 4.961 -5.062 10.497 1.00 44.24 H new ATOM 0 HD22 ASN A 74 5.750 -4.728 8.952 1.00 44.24 H new ATOM 1208 N GLU A 75 4.825 -2.738 4.827 1.00 23.14 N ATOM 1209 CA GLU A 75 4.554 -2.203 3.478 1.00 2.44 C ATOM 1210 C GLU A 75 5.557 -2.739 2.434 1.00 3.13 C ATOM 1211 O GLU A 75 5.240 -2.825 1.242 1.00 64.31 O ATOM 1212 CB GLU A 75 4.533 -0.661 3.560 1.00 74.13 C ATOM 1213 CG GLU A 75 4.204 0.092 2.268 1.00 20.22 C ATOM 1214 CD GLU A 75 3.906 1.579 2.519 1.00 61.01 C ATOM 1215 OE1 GLU A 75 2.742 2.003 2.347 1.00 1.15 O ATOM 1216 OE2 GLU A 75 4.812 2.323 2.938 1.00 52.32 O ATOM 0 H GLU A 75 5.244 -2.055 5.458 1.00 23.14 H new ATOM 0 HA GLU A 75 3.579 -2.547 3.132 1.00 2.44 H new ATOM 0 HB2 GLU A 75 3.805 -0.370 4.318 1.00 74.13 H new ATOM 0 HB3 GLU A 75 5.509 -0.326 3.910 1.00 74.13 H new ATOM 0 HG2 GLU A 75 5.041 0.003 1.575 1.00 20.22 H new ATOM 0 HG3 GLU A 75 3.343 -0.373 1.788 1.00 20.22 H new ATOM 1223 N GLN A 76 6.751 -3.141 2.905 1.00 23.31 N ATOM 1224 CA GLN A 76 7.761 -3.823 2.068 1.00 41.21 C ATOM 1225 C GLN A 76 7.308 -5.265 1.762 1.00 31.20 C ATOM 1226 O GLN A 76 7.510 -5.775 0.649 1.00 15.54 O ATOM 1227 CB GLN A 76 9.134 -3.830 2.786 1.00 73.32 C ATOM 1228 CG GLN A 76 10.284 -4.476 1.983 1.00 63.42 C ATOM 1229 CD GLN A 76 11.601 -4.598 2.756 1.00 41.34 C ATOM 1230 OE1 GLN A 76 11.527 -4.846 4.060 1.00 0.44 O flip ATOM 1231 NE2 GLN A 76 12.683 -4.511 2.177 1.00 74.21 N flip ATOM 0 H GLN A 76 7.045 -3.004 3.872 1.00 23.31 H new ATOM 0 HA GLN A 76 7.864 -3.282 1.127 1.00 41.21 H new ATOM 0 HB2 GLN A 76 9.409 -2.802 3.024 1.00 73.32 H new ATOM 0 HB3 GLN A 76 9.030 -4.359 3.733 1.00 73.32 H new ATOM 0 HG2 GLN A 76 9.973 -5.469 1.660 1.00 63.42 H new ATOM 0 HG3 GLN A 76 10.458 -3.887 1.082 1.00 63.42 H new ATOM 0 HE21 GLN A 76 12.712 -4.320 1.175 1.00 74.21 H new ATOM 0 HE22 GLN A 76 13.551 -4.630 2.698 1.00 74.21 H new ATOM 1240 N LEU A 77 6.678 -5.908 2.768 1.00 1.00 N ATOM 1241 CA LEU A 77 6.112 -7.261 2.624 1.00 3.32 C ATOM 1242 C LEU A 77 4.881 -7.225 1.692 1.00 71.42 C ATOM 1243 O LEU A 77 4.639 -8.180 0.959 1.00 61.35 O ATOM 1244 CB LEU A 77 5.740 -7.866 4.010 1.00 24.24 C ATOM 1245 CG LEU A 77 6.887 -7.959 5.076 1.00 4.22 C ATOM 1246 CD1 LEU A 77 6.398 -8.650 6.373 1.00 64.45 C ATOM 1247 CD2 LEU A 77 8.140 -8.643 4.495 1.00 33.45 C ATOM 0 H LEU A 77 6.549 -5.505 3.696 1.00 1.00 H new ATOM 0 HA LEU A 77 6.870 -7.904 2.177 1.00 3.32 H new ATOM 0 HB2 LEU A 77 4.931 -7.271 4.434 1.00 24.24 H new ATOM 0 HB3 LEU A 77 5.346 -8.869 3.847 1.00 24.24 H new ATOM 0 HG LEU A 77 7.173 -6.942 5.344 1.00 4.22 H new ATOM 0 HD11 LEU A 77 7.217 -8.698 7.091 1.00 64.45 H new ATOM 0 HD12 LEU A 77 5.574 -8.079 6.801 1.00 64.45 H new ATOM 0 HD13 LEU A 77 6.058 -9.660 6.142 1.00 64.45 H new ATOM 0 HD21 LEU A 77 8.916 -8.691 5.259 1.00 33.45 H new ATOM 0 HD22 LEU A 77 7.886 -9.652 4.171 1.00 33.45 H new ATOM 0 HD23 LEU A 77 8.505 -8.070 3.643 1.00 33.45 H new ATOM 1259 N LEU A 78 4.125 -6.100 1.725 1.00 41.43 N ATOM 1260 CA LEU A 78 3.009 -5.848 0.784 1.00 42.44 C ATOM 1261 C LEU A 78 3.550 -5.743 -0.649 1.00 75.21 C ATOM 1262 O LEU A 78 3.010 -6.347 -1.559 1.00 24.24 O ATOM 1263 CB LEU A 78 2.258 -4.532 1.127 1.00 41.22 C ATOM 1264 CG LEU A 78 1.601 -4.442 2.532 1.00 42.42 C ATOM 1265 CD1 LEU A 78 1.068 -3.017 2.786 1.00 40.11 C ATOM 1266 CD2 LEU A 78 0.497 -5.504 2.707 1.00 12.14 C ATOM 0 H LEU A 78 4.271 -5.349 2.399 1.00 41.43 H new ATOM 0 HA LEU A 78 2.313 -6.682 0.871 1.00 42.44 H new ATOM 0 HB2 LEU A 78 2.961 -3.705 1.028 1.00 41.22 H new ATOM 0 HB3 LEU A 78 1.480 -4.381 0.379 1.00 41.22 H new ATOM 0 HG LEU A 78 2.365 -4.654 3.281 1.00 42.42 H new ATOM 0 HD11 LEU A 78 0.611 -2.970 3.774 1.00 40.11 H new ATOM 0 HD12 LEU A 78 1.892 -2.306 2.734 1.00 40.11 H new ATOM 0 HD13 LEU A 78 0.324 -2.767 2.030 1.00 40.11 H new ATOM 0 HD21 LEU A 78 0.059 -5.413 3.701 1.00 12.14 H new ATOM 0 HD22 LEU A 78 -0.276 -5.352 1.954 1.00 12.14 H new ATOM 0 HD23 LEU A 78 0.927 -6.499 2.590 1.00 12.14 H new ATOM 1278 N LYS A 79 4.639 -4.967 -0.809 1.00 44.43 N ATOM 1279 CA LYS A 79 5.301 -4.739 -2.107 1.00 42.03 C ATOM 1280 C LYS A 79 5.670 -6.075 -2.791 1.00 61.34 C ATOM 1281 O LYS A 79 5.288 -6.311 -3.939 1.00 61.20 O ATOM 1282 CB LYS A 79 6.562 -3.845 -1.903 1.00 12.32 C ATOM 1283 CG LYS A 79 7.411 -3.614 -3.172 1.00 53.03 C ATOM 1284 CD LYS A 79 8.626 -2.690 -2.925 1.00 22.33 C ATOM 1285 CE LYS A 79 9.587 -2.649 -4.127 1.00 74.43 C ATOM 1286 NZ LYS A 79 8.912 -2.230 -5.387 1.00 61.31 N ATOM 0 H LYS A 79 5.087 -4.477 -0.035 1.00 44.43 H new ATOM 0 HA LYS A 79 4.605 -4.221 -2.767 1.00 42.03 H new ATOM 0 HB2 LYS A 79 6.244 -2.877 -1.516 1.00 12.32 H new ATOM 0 HB3 LYS A 79 7.193 -4.301 -1.140 1.00 12.32 H new ATOM 0 HG2 LYS A 79 7.763 -4.575 -3.547 1.00 53.03 H new ATOM 0 HG3 LYS A 79 6.782 -3.179 -3.949 1.00 53.03 H new ATOM 0 HD2 LYS A 79 8.274 -1.681 -2.710 1.00 22.33 H new ATOM 0 HD3 LYS A 79 9.166 -3.033 -2.043 1.00 22.33 H new ATOM 0 HE2 LYS A 79 10.404 -1.961 -3.911 1.00 74.43 H new ATOM 0 HE3 LYS A 79 10.030 -3.635 -4.267 1.00 74.43 H new ATOM 0 HZ1 LYS A 79 9.582 -2.301 -6.180 1.00 61.31 H new ATOM 0 HZ2 LYS A 79 8.096 -2.850 -5.567 1.00 61.31 H new ATOM 0 HZ3 LYS A 79 8.586 -1.247 -5.296 1.00 61.31 H new ATOM 1300 N GLY A 80 6.364 -6.954 -2.039 1.00 74.12 N ATOM 1301 CA GLY A 80 6.802 -8.261 -2.548 1.00 15.45 C ATOM 1302 C GLY A 80 5.650 -9.240 -2.803 1.00 64.04 C ATOM 1303 O GLY A 80 5.608 -9.903 -3.849 1.00 12.23 O ATOM 0 H GLY A 80 6.632 -6.776 -1.071 1.00 74.12 H new ATOM 0 HA2 GLY A 80 7.354 -8.113 -3.476 1.00 15.45 H new ATOM 0 HA3 GLY A 80 7.494 -8.706 -1.833 1.00 15.45 H new ATOM 1307 N LEU A 81 4.705 -9.307 -1.848 1.00 75.20 N ATOM 1308 CA LEU A 81 3.556 -10.242 -1.894 1.00 32.45 C ATOM 1309 C LEU A 81 2.659 -9.902 -3.094 1.00 3.32 C ATOM 1310 O LEU A 81 2.393 -10.761 -3.947 1.00 40.01 O ATOM 1311 CB LEU A 81 2.790 -10.173 -0.532 1.00 32.02 C ATOM 1312 CG LEU A 81 1.753 -11.308 -0.183 1.00 14.04 C ATOM 1313 CD1 LEU A 81 1.447 -11.302 1.330 1.00 40.33 C ATOM 1314 CD2 LEU A 81 0.429 -11.190 -0.979 1.00 23.12 C ATOM 0 H LEU A 81 4.713 -8.714 -1.018 1.00 75.20 H new ATOM 0 HA LEU A 81 3.897 -11.268 -2.032 1.00 32.45 H new ATOM 0 HB2 LEU A 81 3.534 -10.151 0.264 1.00 32.02 H new ATOM 0 HB3 LEU A 81 2.260 -9.221 -0.500 1.00 32.02 H new ATOM 0 HG LEU A 81 2.218 -12.250 -0.472 1.00 14.04 H new ATOM 0 HD11 LEU A 81 0.730 -12.090 1.559 1.00 40.33 H new ATOM 0 HD12 LEU A 81 2.367 -11.475 1.888 1.00 40.33 H new ATOM 0 HD13 LEU A 81 1.028 -10.336 1.613 1.00 40.33 H new ATOM 0 HD21 LEU A 81 -0.241 -12.000 -0.693 1.00 23.12 H new ATOM 0 HD22 LEU A 81 -0.044 -10.233 -0.759 1.00 23.12 H new ATOM 0 HD23 LEU A 81 0.639 -11.253 -2.047 1.00 23.12 H new ATOM 1326 N LEU A 82 2.237 -8.628 -3.163 1.00 34.22 N ATOM 1327 CA LEU A 82 1.384 -8.121 -4.244 1.00 23.44 C ATOM 1328 C LEU A 82 2.134 -8.123 -5.595 1.00 71.43 C ATOM 1329 O LEU A 82 1.491 -8.153 -6.631 1.00 65.43 O ATOM 1330 CB LEU A 82 0.848 -6.692 -3.913 1.00 34.43 C ATOM 1331 CG LEU A 82 0.047 -6.532 -2.573 1.00 35.03 C ATOM 1332 CD1 LEU A 82 -0.421 -5.067 -2.369 1.00 44.54 C ATOM 1333 CD2 LEU A 82 -1.134 -7.519 -2.507 1.00 74.13 C ATOM 0 H LEU A 82 2.480 -7.922 -2.468 1.00 34.22 H new ATOM 0 HA LEU A 82 0.530 -8.792 -4.332 1.00 23.44 H new ATOM 0 HB2 LEU A 82 1.696 -6.008 -3.886 1.00 34.43 H new ATOM 0 HB3 LEU A 82 0.206 -6.371 -4.733 1.00 34.43 H new ATOM 0 HG LEU A 82 0.721 -6.776 -1.752 1.00 35.03 H new ATOM 0 HD11 LEU A 82 -0.973 -4.988 -1.432 1.00 44.54 H new ATOM 0 HD12 LEU A 82 0.447 -4.409 -2.335 1.00 44.54 H new ATOM 0 HD13 LEU A 82 -1.067 -4.773 -3.196 1.00 44.54 H new ATOM 0 HD21 LEU A 82 -1.669 -7.384 -1.567 1.00 74.13 H new ATOM 0 HD22 LEU A 82 -1.811 -7.332 -3.340 1.00 74.13 H new ATOM 0 HD23 LEU A 82 -0.758 -8.540 -2.567 1.00 74.13 H new ATOM 1345 N GLN A 83 3.494 -8.073 -5.577 1.00 50.03 N ATOM 1346 CA GLN A 83 4.318 -8.180 -6.814 1.00 31.13 C ATOM 1347 C GLN A 83 4.113 -9.540 -7.479 1.00 61.24 C ATOM 1348 O GLN A 83 3.895 -9.618 -8.695 1.00 20.11 O ATOM 1349 CB GLN A 83 5.823 -7.949 -6.519 1.00 1.35 C ATOM 1350 CG GLN A 83 6.746 -8.026 -7.756 1.00 62.31 C ATOM 1351 CD GLN A 83 8.235 -7.791 -7.463 1.00 5.43 C ATOM 1352 OE1 GLN A 83 8.965 -7.270 -8.307 1.00 40.21 O ATOM 1353 NE2 GLN A 83 8.704 -8.178 -6.280 1.00 2.33 N ATOM 0 H GLN A 83 4.041 -7.960 -4.724 1.00 50.03 H new ATOM 0 HA GLN A 83 3.987 -7.398 -7.497 1.00 31.13 H new ATOM 0 HB2 GLN A 83 5.942 -6.970 -6.055 1.00 1.35 H new ATOM 0 HB3 GLN A 83 6.154 -8.689 -5.790 1.00 1.35 H new ATOM 0 HG2 GLN A 83 6.631 -9.007 -8.217 1.00 62.31 H new ATOM 0 HG3 GLN A 83 6.413 -7.289 -8.487 1.00 62.31 H new ATOM 0 HE21 GLN A 83 8.078 -8.607 -5.599 1.00 2.33 H new ATOM 0 HE22 GLN A 83 9.690 -8.046 -6.054 1.00 2.33 H new ATOM 1362 N GLN A 84 4.167 -10.597 -6.646 1.00 42.55 N ATOM 1363 CA GLN A 84 3.886 -11.973 -7.083 1.00 21.21 C ATOM 1364 C GLN A 84 2.455 -12.067 -7.643 1.00 62.14 C ATOM 1365 O GLN A 84 2.246 -12.562 -8.750 1.00 54.22 O ATOM 1366 CB GLN A 84 4.050 -12.957 -5.902 1.00 61.13 C ATOM 1367 CG GLN A 84 5.426 -12.914 -5.206 1.00 55.50 C ATOM 1368 CD GLN A 84 5.563 -13.905 -4.038 1.00 10.33 C ATOM 1369 OE1 GLN A 84 6.261 -13.634 -3.063 1.00 30.41 O ATOM 1370 NE2 GLN A 84 4.931 -15.071 -4.130 1.00 14.35 N ATOM 0 H GLN A 84 4.405 -10.519 -5.657 1.00 42.55 H new ATOM 0 HA GLN A 84 4.596 -12.240 -7.866 1.00 21.21 H new ATOM 0 HB2 GLN A 84 3.278 -12.745 -5.162 1.00 61.13 H new ATOM 0 HB3 GLN A 84 3.874 -13.970 -6.265 1.00 61.13 H new ATOM 0 HG2 GLN A 84 6.202 -13.125 -5.942 1.00 55.50 H new ATOM 0 HG3 GLN A 84 5.604 -11.904 -4.836 1.00 55.50 H new ATOM 0 HE21 GLN A 84 4.357 -15.277 -4.947 1.00 14.35 H new ATOM 0 HE22 GLN A 84 5.021 -15.760 -3.383 1.00 14.35 H new ATOM 1379 N ARG A 85 1.493 -11.525 -6.868 1.00 62.11 N ATOM 1380 CA ARG A 85 0.057 -11.578 -7.194 1.00 30.41 C ATOM 1381 C ARG A 85 -0.238 -10.899 -8.548 1.00 11.02 C ATOM 1382 O ARG A 85 -0.876 -11.495 -9.400 1.00 51.41 O ATOM 1383 CB ARG A 85 -0.768 -10.916 -6.066 1.00 71.32 C ATOM 1384 CG ARG A 85 -0.597 -11.550 -4.663 1.00 20.50 C ATOM 1385 CD ARG A 85 -1.364 -12.873 -4.456 1.00 20.23 C ATOM 1386 NE ARG A 85 -0.815 -14.052 -5.158 1.00 21.51 N ATOM 1387 CZ ARG A 85 -1.096 -15.332 -4.828 1.00 34.30 C ATOM 1388 NH1 ARG A 85 -1.891 -15.620 -3.794 1.00 45.41 N ATOM 1389 NH2 ARG A 85 -0.597 -16.332 -5.537 1.00 42.34 N ATOM 0 H ARG A 85 1.694 -11.037 -5.995 1.00 62.11 H new ATOM 0 HA ARG A 85 -0.233 -12.625 -7.279 1.00 30.41 H new ATOM 0 HB2 ARG A 85 -0.493 -9.863 -6.007 1.00 71.32 H new ATOM 0 HB3 ARG A 85 -1.823 -10.955 -6.338 1.00 71.32 H new ATOM 0 HG2 ARG A 85 0.464 -11.729 -4.487 1.00 20.50 H new ATOM 0 HG3 ARG A 85 -0.928 -10.833 -3.912 1.00 20.50 H new ATOM 0 HD2 ARG A 85 -1.393 -13.091 -3.388 1.00 20.23 H new ATOM 0 HD3 ARG A 85 -2.395 -12.728 -4.780 1.00 20.23 H new ATOM 0 HE ARG A 85 -0.183 -13.889 -5.942 1.00 21.51 H new ATOM 0 HH11 ARG A 85 -2.298 -14.868 -3.238 1.00 45.41 H new ATOM 0 HH12 ARG A 85 -2.092 -16.592 -3.560 1.00 45.41 H new ATOM 0 HH21 ARG A 85 0.004 -16.139 -6.338 1.00 42.34 H new ATOM 0 HH22 ARG A 85 -0.813 -17.296 -5.282 1.00 42.34 H new ATOM 1403 N LEU A 86 0.286 -9.673 -8.741 1.00 74.11 N ATOM 1404 CA LEU A 86 0.063 -8.867 -9.965 1.00 52.43 C ATOM 1405 C LEU A 86 0.779 -9.471 -11.180 1.00 63.54 C ATOM 1406 O LEU A 86 0.338 -9.281 -12.311 1.00 73.42 O ATOM 1407 CB LEU A 86 0.531 -7.397 -9.750 1.00 40.10 C ATOM 1408 CG LEU A 86 -0.300 -6.558 -8.730 1.00 42.03 C ATOM 1409 CD1 LEU A 86 0.238 -5.116 -8.613 1.00 42.21 C ATOM 1410 CD2 LEU A 86 -1.793 -6.576 -9.102 1.00 43.42 C ATOM 0 H LEU A 86 0.878 -9.209 -8.052 1.00 74.11 H new ATOM 0 HA LEU A 86 -1.008 -8.874 -10.166 1.00 52.43 H new ATOM 0 HB2 LEU A 86 1.569 -7.412 -9.418 1.00 40.10 H new ATOM 0 HB3 LEU A 86 0.511 -6.886 -10.712 1.00 40.10 H new ATOM 0 HG LEU A 86 -0.193 -7.019 -7.748 1.00 42.03 H new ATOM 0 HD11 LEU A 86 -0.364 -4.560 -7.894 1.00 42.21 H new ATOM 0 HD12 LEU A 86 1.274 -5.141 -8.276 1.00 42.21 H new ATOM 0 HD13 LEU A 86 0.184 -4.628 -9.586 1.00 42.21 H new ATOM 0 HD21 LEU A 86 -2.355 -5.985 -8.379 1.00 43.42 H new ATOM 0 HD22 LEU A 86 -1.925 -6.152 -10.098 1.00 43.42 H new ATOM 0 HD23 LEU A 86 -2.158 -7.603 -9.094 1.00 43.42 H new ATOM 1422 N ASP A 87 1.886 -10.182 -10.932 1.00 72.22 N ATOM 1423 CA ASP A 87 2.628 -10.910 -11.979 1.00 25.32 C ATOM 1424 C ASP A 87 1.751 -12.047 -12.546 1.00 5.14 C ATOM 1425 O ASP A 87 1.635 -12.225 -13.770 1.00 2.24 O ATOM 1426 CB ASP A 87 3.956 -11.461 -11.389 1.00 63.30 C ATOM 1427 CG ASP A 87 4.815 -12.243 -12.399 1.00 52.24 C ATOM 1428 OD1 ASP A 87 5.367 -11.613 -13.338 1.00 3.53 O ATOM 1429 OD2 ASP A 87 4.961 -13.480 -12.262 1.00 23.34 O ATOM 0 H ASP A 87 2.295 -10.271 -10.002 1.00 72.22 H new ATOM 0 HA ASP A 87 2.873 -10.233 -12.797 1.00 25.32 H new ATOM 0 HB2 ASP A 87 4.541 -10.628 -10.999 1.00 63.30 H new ATOM 0 HB3 ASP A 87 3.724 -12.111 -10.545 1.00 63.30 H new ATOM 1434 N GLU A 88 1.096 -12.770 -11.620 1.00 72.24 N ATOM 1435 CA GLU A 88 0.194 -13.894 -11.931 1.00 3.43 C ATOM 1436 C GLU A 88 -1.107 -13.400 -12.589 1.00 24.35 C ATOM 1437 O GLU A 88 -1.546 -13.972 -13.585 1.00 0.54 O ATOM 1438 CB GLU A 88 -0.123 -14.674 -10.634 1.00 21.52 C ATOM 1439 CG GLU A 88 1.109 -15.318 -9.955 1.00 53.21 C ATOM 1440 CD GLU A 88 0.824 -15.767 -8.520 1.00 53.13 C ATOM 1441 OE1 GLU A 88 0.575 -16.968 -8.275 1.00 64.44 O ATOM 1442 OE2 GLU A 88 0.835 -14.911 -7.618 1.00 34.40 O ATOM 0 H GLU A 88 1.180 -12.587 -10.620 1.00 72.24 H new ATOM 0 HA GLU A 88 0.694 -14.554 -12.640 1.00 3.43 H new ATOM 0 HB2 GLU A 88 -0.600 -13.997 -9.925 1.00 21.52 H new ATOM 0 HB3 GLU A 88 -0.846 -15.457 -10.863 1.00 21.52 H new ATOM 0 HG2 GLU A 88 1.435 -16.176 -10.542 1.00 53.21 H new ATOM 0 HG3 GLU A 88 1.932 -14.603 -9.951 1.00 53.21 H new ATOM 1449 N LEU A 89 -1.699 -12.320 -12.020 1.00 43.34 N ATOM 1450 CA LEU A 89 -2.952 -11.720 -12.518 1.00 21.04 C ATOM 1451 C LEU A 89 -2.750 -11.178 -13.943 1.00 43.34 C ATOM 1452 O LEU A 89 -3.585 -11.415 -14.807 1.00 23.42 O ATOM 1453 CB LEU A 89 -3.468 -10.590 -11.565 1.00 35.32 C ATOM 1454 CG LEU A 89 -3.900 -11.036 -10.126 1.00 63.44 C ATOM 1455 CD1 LEU A 89 -4.349 -9.821 -9.277 1.00 34.40 C ATOM 1456 CD2 LEU A 89 -4.995 -12.127 -10.184 1.00 14.42 C ATOM 0 H LEU A 89 -1.317 -11.844 -11.203 1.00 43.34 H new ATOM 0 HA LEU A 89 -3.713 -12.500 -12.541 1.00 21.04 H new ATOM 0 HB2 LEU A 89 -2.684 -9.839 -11.469 1.00 35.32 H new ATOM 0 HB3 LEU A 89 -4.319 -10.103 -12.042 1.00 35.32 H new ATOM 0 HG LEU A 89 -3.031 -11.474 -9.635 1.00 63.44 H new ATOM 0 HD11 LEU A 89 -4.643 -10.160 -8.284 1.00 34.40 H new ATOM 0 HD12 LEU A 89 -3.524 -9.114 -9.190 1.00 34.40 H new ATOM 0 HD13 LEU A 89 -5.196 -9.333 -9.759 1.00 34.40 H new ATOM 0 HD21 LEU A 89 -5.274 -12.416 -9.171 1.00 14.42 H new ATOM 0 HD22 LEU A 89 -5.870 -11.737 -10.704 1.00 14.42 H new ATOM 0 HD23 LEU A 89 -4.613 -12.997 -10.718 1.00 14.42 H new ATOM 1468 N SER A 90 -1.600 -10.509 -14.178 1.00 72.12 N ATOM 1469 CA SER A 90 -1.221 -9.979 -15.507 1.00 35.25 C ATOM 1470 C SER A 90 -1.132 -11.115 -16.532 1.00 41.45 C ATOM 1471 O SER A 90 -1.668 -11.003 -17.640 1.00 51.42 O ATOM 1472 CB SER A 90 0.137 -9.243 -15.429 1.00 45.13 C ATOM 1473 OG SER A 90 0.513 -8.690 -16.682 1.00 52.11 O ATOM 0 H SER A 90 -0.908 -10.321 -13.452 1.00 72.12 H new ATOM 0 HA SER A 90 -1.990 -9.274 -15.823 1.00 35.25 H new ATOM 0 HB2 SER A 90 0.077 -8.449 -14.685 1.00 45.13 H new ATOM 0 HB3 SER A 90 0.907 -9.937 -15.093 1.00 45.13 H new ATOM 0 HG SER A 90 1.375 -8.232 -16.592 1.00 52.11 H new ATOM 1479 N SER A 91 -0.467 -12.219 -16.125 1.00 12.33 N ATOM 1480 CA SER A 91 -0.315 -13.428 -16.952 1.00 61.13 C ATOM 1481 C SER A 91 -1.692 -14.029 -17.317 1.00 3.12 C ATOM 1482 O SER A 91 -1.922 -14.391 -18.472 1.00 2.23 O ATOM 1483 CB SER A 91 0.575 -14.459 -16.216 1.00 35.40 C ATOM 1484 OG SER A 91 0.791 -15.636 -16.981 1.00 1.03 O ATOM 0 H SER A 91 -0.021 -12.293 -15.211 1.00 12.33 H new ATOM 0 HA SER A 91 0.174 -13.155 -17.887 1.00 61.13 H new ATOM 0 HB2 SER A 91 1.536 -14.002 -15.980 1.00 35.40 H new ATOM 0 HB3 SER A 91 0.108 -14.726 -15.268 1.00 35.40 H new ATOM 0 HG SER A 91 1.359 -16.255 -16.476 1.00 1.03 H new ATOM 1490 N LEU A 92 -2.614 -14.073 -16.326 1.00 15.40 N ATOM 1491 CA LEU A 92 -3.984 -14.598 -16.515 1.00 72.24 C ATOM 1492 C LEU A 92 -4.771 -13.738 -17.524 1.00 34.10 C ATOM 1493 O LEU A 92 -5.373 -14.276 -18.455 1.00 33.31 O ATOM 1494 CB LEU A 92 -4.743 -14.672 -15.157 1.00 62.43 C ATOM 1495 CG LEU A 92 -4.193 -15.705 -14.119 1.00 64.23 C ATOM 1496 CD1 LEU A 92 -4.933 -15.596 -12.764 1.00 45.32 C ATOM 1497 CD2 LEU A 92 -4.256 -17.142 -14.687 1.00 43.12 C ATOM 0 H LEU A 92 -2.428 -13.747 -15.378 1.00 15.40 H new ATOM 0 HA LEU A 92 -3.900 -15.607 -16.918 1.00 72.24 H new ATOM 0 HB2 LEU A 92 -4.726 -13.683 -14.699 1.00 62.43 H new ATOM 0 HB3 LEU A 92 -5.787 -14.911 -15.360 1.00 62.43 H new ATOM 0 HG LEU A 92 -3.146 -15.466 -13.932 1.00 64.23 H new ATOM 0 HD11 LEU A 92 -4.525 -16.328 -12.067 1.00 45.32 H new ATOM 0 HD12 LEU A 92 -4.800 -14.594 -12.357 1.00 45.32 H new ATOM 0 HD13 LEU A 92 -5.995 -15.789 -12.913 1.00 45.32 H new ATOM 0 HD21 LEU A 92 -3.868 -17.843 -13.948 1.00 43.12 H new ATOM 0 HD22 LEU A 92 -5.290 -17.396 -14.921 1.00 43.12 H new ATOM 0 HD23 LEU A 92 -3.654 -17.202 -15.594 1.00 43.12 H new ATOM 1509 N ILE A 93 -4.716 -12.395 -17.338 1.00 1.30 N ATOM 1510 CA ILE A 93 -5.389 -11.415 -18.222 1.00 62.25 C ATOM 1511 C ILE A 93 -4.880 -11.569 -19.664 1.00 65.12 C ATOM 1512 O ILE A 93 -5.663 -11.569 -20.599 1.00 31.12 O ATOM 1513 CB ILE A 93 -5.161 -9.922 -17.748 1.00 54.11 C ATOM 1514 CG1 ILE A 93 -5.686 -9.698 -16.298 1.00 70.13 C ATOM 1515 CG2 ILE A 93 -5.825 -8.908 -18.718 1.00 22.31 C ATOM 1516 CD1 ILE A 93 -5.294 -8.360 -15.686 1.00 0.42 C ATOM 0 H ILE A 93 -4.203 -11.963 -16.570 1.00 1.30 H new ATOM 0 HA ILE A 93 -6.458 -11.624 -18.174 1.00 62.25 H new ATOM 0 HB ILE A 93 -4.085 -9.749 -17.755 1.00 54.11 H new ATOM 0 HG12 ILE A 93 -6.773 -9.777 -16.302 1.00 70.13 H new ATOM 0 HG13 ILE A 93 -5.311 -10.499 -15.661 1.00 70.13 H new ATOM 0 HG21 ILE A 93 -5.648 -7.893 -18.361 1.00 22.31 H new ATOM 0 HG22 ILE A 93 -5.396 -9.022 -19.714 1.00 22.31 H new ATOM 0 HG23 ILE A 93 -6.898 -9.095 -18.762 1.00 22.31 H new ATOM 0 HD11 ILE A 93 -5.701 -8.288 -14.677 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.207 -8.283 -15.646 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.693 -7.550 -16.297 1.00 0.42 H new ATOM 1528 N GLY A 94 -3.557 -11.750 -19.809 1.00 5.01 N ATOM 1529 CA GLY A 94 -2.931 -11.879 -21.124 1.00 22.22 C ATOM 1530 C GLY A 94 -3.393 -13.117 -21.899 1.00 31.12 C ATOM 1531 O GLY A 94 -3.511 -13.082 -23.127 1.00 73.11 O ATOM 0 H GLY A 94 -2.904 -11.810 -19.027 1.00 5.01 H new ATOM 0 HA2 GLY A 94 -3.151 -10.988 -21.712 1.00 22.22 H new ATOM 0 HA3 GLY A 94 -1.849 -11.920 -21.001 1.00 22.22 H new ATOM 1535 N GLN A 95 -3.674 -14.204 -21.167 1.00 51.33 N ATOM 1536 CA GLN A 95 -4.081 -15.496 -21.754 1.00 53.03 C ATOM 1537 C GLN A 95 -5.595 -15.533 -22.066 1.00 33.22 C ATOM 1538 O GLN A 95 -6.010 -16.137 -23.065 1.00 45.51 O ATOM 1539 CB GLN A 95 -3.693 -16.646 -20.787 1.00 71.42 C ATOM 1540 CG GLN A 95 -2.181 -16.778 -20.513 1.00 62.04 C ATOM 1541 CD GLN A 95 -1.355 -17.123 -21.757 1.00 3.22 C ATOM 1542 OE1 GLN A 95 -0.882 -16.243 -22.477 1.00 3.50 O ATOM 1543 NE2 GLN A 95 -1.180 -18.411 -22.020 1.00 74.11 N ATOM 0 H GLN A 95 -3.626 -14.216 -20.148 1.00 51.33 H new ATOM 0 HA GLN A 95 -3.557 -15.623 -22.701 1.00 53.03 H new ATOM 0 HB2 GLN A 95 -4.208 -16.494 -19.838 1.00 71.42 H new ATOM 0 HB3 GLN A 95 -4.057 -17.587 -21.200 1.00 71.42 H new ATOM 0 HG2 GLN A 95 -1.814 -15.841 -20.093 1.00 62.04 H new ATOM 0 HG3 GLN A 95 -2.024 -17.549 -19.759 1.00 62.04 H new ATOM 0 HE21 GLN A 95 -1.584 -19.117 -21.405 1.00 74.11 H new ATOM 0 HE22 GLN A 95 -0.641 -18.696 -22.838 1.00 74.11 H new ATOM 1552 N VAL A 96 -6.417 -14.891 -21.210 1.00 53.01 N ATOM 1553 CA VAL A 96 -7.894 -14.928 -21.343 1.00 15.04 C ATOM 1554 C VAL A 96 -8.419 -13.775 -22.236 1.00 44.33 C ATOM 1555 O VAL A 96 -9.461 -13.917 -22.877 1.00 44.25 O ATOM 1556 CB VAL A 96 -8.628 -14.929 -19.938 1.00 12.24 C ATOM 1557 CG1 VAL A 96 -8.201 -16.152 -19.085 1.00 4.34 C ATOM 1558 CG2 VAL A 96 -8.410 -13.610 -19.157 1.00 33.20 C ATOM 0 H VAL A 96 -6.086 -14.340 -20.418 1.00 53.01 H new ATOM 0 HA VAL A 96 -8.132 -15.871 -21.834 1.00 15.04 H new ATOM 0 HB VAL A 96 -9.696 -15.007 -20.142 1.00 12.24 H new ATOM 0 HG11 VAL A 96 -8.720 -16.126 -18.127 1.00 4.34 H new ATOM 0 HG12 VAL A 96 -8.457 -17.071 -19.612 1.00 4.34 H new ATOM 0 HG13 VAL A 96 -7.125 -16.119 -18.915 1.00 4.34 H new ATOM 0 HG21 VAL A 96 -8.933 -13.662 -18.202 1.00 33.20 H new ATOM 0 HG22 VAL A 96 -7.344 -13.464 -18.980 1.00 33.20 H new ATOM 0 HG23 VAL A 96 -8.799 -12.774 -19.739 1.00 33.20 H new ATOM 1568 N LEU A 97 -7.686 -12.646 -22.284 1.00 72.43 N ATOM 1569 CA LEU A 97 -8.065 -11.471 -23.108 1.00 32.30 C ATOM 1570 C LEU A 97 -7.430 -11.630 -24.500 1.00 72.10 C ATOM 1571 O LEU A 97 -6.198 -11.568 -24.649 1.00 30.30 O ATOM 1572 CB LEU A 97 -7.598 -10.124 -22.439 1.00 63.14 C ATOM 1573 CG LEU A 97 -8.448 -8.819 -22.693 1.00 70.45 C ATOM 1574 CD1 LEU A 97 -7.755 -7.584 -22.070 1.00 41.13 C ATOM 1575 CD2 LEU A 97 -8.777 -8.571 -24.182 1.00 3.01 C ATOM 0 H LEU A 97 -6.821 -12.518 -21.759 1.00 72.43 H new ATOM 0 HA LEU A 97 -9.151 -11.426 -23.192 1.00 32.30 H new ATOM 0 HB2 LEU A 97 -7.556 -10.287 -21.362 1.00 63.14 H new ATOM 0 HB3 LEU A 97 -6.579 -9.925 -22.772 1.00 63.14 H new ATOM 0 HG LEU A 97 -9.405 -8.982 -22.198 1.00 70.45 H new ATOM 0 HD11 LEU A 97 -8.358 -6.695 -22.257 1.00 41.13 H new ATOM 0 HD12 LEU A 97 -7.648 -7.730 -20.995 1.00 41.13 H new ATOM 0 HD13 LEU A 97 -6.770 -7.455 -22.518 1.00 41.13 H new ATOM 0 HD21 LEU A 97 -9.363 -7.657 -24.278 1.00 3.01 H new ATOM 0 HD22 LEU A 97 -7.851 -8.469 -24.747 1.00 3.01 H new ATOM 0 HD23 LEU A 97 -9.350 -9.412 -24.573 1.00 3.01 H new ATOM 1587 N PHE A 98 -8.279 -11.832 -25.512 1.00 70.32 N ATOM 1588 CA PHE A 98 -7.864 -11.813 -26.915 1.00 65.14 C ATOM 1589 C PHE A 98 -7.933 -10.355 -27.399 1.00 74.23 C ATOM 1590 O PHE A 98 -8.968 -9.904 -27.890 1.00 20.13 O ATOM 1591 CB PHE A 98 -8.764 -12.759 -27.755 1.00 33.22 C ATOM 1592 CG PHE A 98 -8.822 -14.182 -27.197 1.00 12.31 C ATOM 1593 CD1 PHE A 98 -7.754 -15.061 -27.377 1.00 61.11 C ATOM 1594 CD2 PHE A 98 -9.939 -14.636 -26.483 1.00 2.15 C ATOM 1595 CE1 PHE A 98 -7.795 -16.343 -26.858 1.00 15.52 C ATOM 1596 CE2 PHE A 98 -9.976 -15.919 -25.966 1.00 4.31 C ATOM 1597 CZ PHE A 98 -8.908 -16.774 -26.160 1.00 41.34 C ATOM 0 H PHE A 98 -9.274 -12.013 -25.380 1.00 70.32 H new ATOM 0 HA PHE A 98 -6.844 -12.179 -27.031 1.00 65.14 H new ATOM 0 HB2 PHE A 98 -9.773 -12.349 -27.796 1.00 33.22 H new ATOM 0 HB3 PHE A 98 -8.391 -12.791 -28.779 1.00 33.22 H new ATOM 0 HD1 PHE A 98 -6.884 -14.737 -27.929 1.00 61.11 H new ATOM 0 HD2 PHE A 98 -10.781 -13.977 -26.334 1.00 2.15 H new ATOM 0 HE1 PHE A 98 -6.956 -17.008 -26.998 1.00 15.52 H new ATOM 0 HE2 PHE A 98 -10.840 -16.252 -25.411 1.00 4.31 H new ATOM 0 HZ PHE A 98 -8.943 -17.779 -25.766 1.00 41.34 H new ATOM 1607 N GLN A 99 -6.836 -9.604 -27.166 1.00 60.43 N ATOM 1608 CA GLN A 99 -6.754 -8.153 -27.476 1.00 72.42 C ATOM 1609 C GLN A 99 -6.311 -7.883 -28.930 1.00 63.51 C ATOM 1610 O GLN A 99 -6.003 -6.741 -29.284 1.00 61.11 O ATOM 1611 CB GLN A 99 -5.836 -7.436 -26.429 1.00 51.53 C ATOM 1612 CG GLN A 99 -4.434 -8.067 -26.185 1.00 51.33 C ATOM 1613 CD GLN A 99 -3.393 -7.847 -27.291 1.00 53.41 C ATOM 1614 OE1 GLN A 99 -3.419 -6.688 -27.944 1.00 42.20 O flip ATOM 1615 NE2 GLN A 99 -2.541 -8.704 -27.530 1.00 11.45 N flip ATOM 0 H GLN A 99 -5.981 -9.982 -26.758 1.00 60.43 H new ATOM 0 HA GLN A 99 -7.756 -7.732 -27.397 1.00 72.42 H new ATOM 0 HB2 GLN A 99 -5.694 -6.404 -26.750 1.00 51.53 H new ATOM 0 HB3 GLN A 99 -6.366 -7.404 -25.477 1.00 51.53 H new ATOM 0 HG2 GLN A 99 -4.035 -7.666 -25.253 1.00 51.33 H new ATOM 0 HG3 GLN A 99 -4.561 -9.140 -26.042 1.00 51.33 H new ATOM 0 HE21 GLN A 99 -2.544 -9.584 -27.014 1.00 11.45 H new ATOM 0 HE22 GLN A 99 -1.832 -8.534 -28.244 1.00 11.45 H new ATOM 1624 N GLY A 100 -6.318 -8.931 -29.762 1.00 31.23 N ATOM 1625 CA GLY A 100 -5.966 -8.825 -31.176 1.00 2.22 C ATOM 1626 C GLY A 100 -5.575 -10.180 -31.757 1.00 73.53 C ATOM 1627 O GLY A 100 -6.333 -10.733 -32.563 1.00 71.21 O ATOM 0 H GLY A 100 -6.569 -9.876 -29.470 1.00 31.23 H new ATOM 0 HA2 GLY A 100 -6.810 -8.419 -31.733 1.00 2.22 H new ATOM 0 HA3 GLY A 100 -5.139 -8.125 -31.295 1.00 2.22 H new ATOM 1631 N PRO A 101 -4.383 -10.744 -31.360 1.00 41.34 N ATOM 1632 CA PRO A 101 -3.919 -12.078 -31.822 1.00 22.53 C ATOM 1633 C PRO A 101 -4.927 -13.209 -31.492 1.00 42.12 C ATOM 1634 O PRO A 101 -5.598 -13.159 -30.442 1.00 43.24 O ATOM 1635 CB PRO A 101 -2.566 -12.273 -31.082 1.00 52.34 C ATOM 1636 CG PRO A 101 -2.110 -10.881 -30.763 1.00 32.12 C ATOM 1637 CD PRO A 101 -3.379 -10.116 -30.455 1.00 64.51 C ATOM 0 HA PRO A 101 -3.819 -12.124 -32.906 1.00 22.53 H new ATOM 0 HB2 PRO A 101 -2.691 -12.867 -30.177 1.00 52.34 H new ATOM 0 HB3 PRO A 101 -1.842 -12.794 -31.709 1.00 52.34 H new ATOM 0 HG2 PRO A 101 -1.428 -10.874 -29.913 1.00 32.12 H new ATOM 0 HG3 PRO A 101 -1.576 -10.438 -31.604 1.00 32.12 H new ATOM 0 HD2 PRO A 101 -3.664 -10.214 -29.408 1.00 64.51 H new ATOM 0 HD3 PRO A 101 -3.266 -9.051 -30.656 1.00 64.51 H new ATOM 1645 N SER A 102 -5.032 -14.193 -32.425 1.00 45.21 N ATOM 1646 CA SER A 102 -5.977 -15.341 -32.386 1.00 2.33 C ATOM 1647 C SER A 102 -7.408 -14.927 -32.815 1.00 63.54 C ATOM 1648 O SER A 102 -8.055 -15.652 -33.582 1.00 63.23 O ATOM 1649 CB SER A 102 -5.988 -16.073 -31.014 1.00 34.31 C ATOM 1650 OG SER A 102 -4.676 -16.489 -30.650 1.00 44.42 O ATOM 0 H SER A 102 -4.439 -14.209 -33.255 1.00 45.21 H new ATOM 0 HA SER A 102 -5.605 -16.058 -33.117 1.00 2.33 H new ATOM 0 HB2 SER A 102 -6.390 -15.411 -30.247 1.00 34.31 H new ATOM 0 HB3 SER A 102 -6.648 -16.939 -31.065 1.00 34.31 H new ATOM 0 HG SER A 102 -4.706 -16.945 -29.783 1.00 44.42 H new ATOM 1656 N ALA A 103 -7.895 -13.772 -32.322 1.00 1.13 N ATOM 1657 CA ALA A 103 -9.220 -13.237 -32.683 1.00 13.51 C ATOM 1658 C ALA A 103 -9.239 -12.777 -34.153 1.00 52.32 C ATOM 1659 O ALA A 103 -8.380 -11.988 -34.566 1.00 60.25 O ATOM 1660 CB ALA A 103 -9.595 -12.084 -31.734 1.00 33.44 C ATOM 0 H ALA A 103 -7.382 -13.186 -31.664 1.00 1.13 H new ATOM 0 HA ALA A 103 -9.963 -14.028 -32.576 1.00 13.51 H new ATOM 0 HB1 ALA A 103 -10.575 -11.693 -32.006 1.00 33.44 H new ATOM 0 HB2 ALA A 103 -9.623 -12.452 -30.708 1.00 33.44 H new ATOM 0 HB3 ALA A 103 -8.853 -11.290 -31.815 1.00 33.44 H new ATOM 1666 N GLY A 104 -10.224 -13.264 -34.940 1.00 11.31 N ATOM 1667 CA GLY A 104 -10.320 -12.946 -36.374 1.00 54.40 C ATOM 1668 C GLY A 104 -11.046 -11.625 -36.647 1.00 44.31 C ATOM 1669 O GLY A 104 -11.829 -11.518 -37.598 1.00 52.23 O ATOM 0 H GLY A 104 -10.963 -13.880 -34.601 1.00 11.31 H new ATOM 0 HA2 GLY A 104 -9.317 -12.897 -36.798 1.00 54.40 H new ATOM 0 HA3 GLY A 104 -10.843 -13.754 -36.885 1.00 54.40 H new ATOM 1673 N LEU A 105 -10.744 -10.617 -35.810 1.00 13.02 N ATOM 1674 CA LEU A 105 -11.369 -9.284 -35.832 1.00 32.31 C ATOM 1675 C LEU A 105 -10.533 -8.328 -34.963 1.00 25.31 C ATOM 1676 O LEU A 105 -9.635 -8.774 -34.236 1.00 71.35 O ATOM 1677 CB LEU A 105 -12.865 -9.371 -35.351 1.00 65.24 C ATOM 1678 CG LEU A 105 -13.163 -10.233 -34.056 1.00 41.22 C ATOM 1679 CD1 LEU A 105 -12.818 -9.495 -32.744 1.00 61.31 C ATOM 1680 CD2 LEU A 105 -14.626 -10.730 -34.035 1.00 0.22 C ATOM 0 H LEU A 105 -10.039 -10.710 -35.079 1.00 13.02 H new ATOM 0 HA LEU A 105 -11.389 -8.894 -36.850 1.00 32.31 H new ATOM 0 HB2 LEU A 105 -13.221 -8.357 -35.170 1.00 65.24 H new ATOM 0 HB3 LEU A 105 -13.460 -9.776 -36.170 1.00 65.24 H new ATOM 0 HG LEU A 105 -12.502 -11.098 -34.112 1.00 41.22 H new ATOM 0 HD11 LEU A 105 -13.045 -10.139 -31.894 1.00 61.31 H new ATOM 0 HD12 LEU A 105 -11.757 -9.244 -32.736 1.00 61.31 H new ATOM 0 HD13 LEU A 105 -13.408 -8.581 -32.675 1.00 61.31 H new ATOM 0 HD21 LEU A 105 -14.798 -11.318 -33.134 1.00 0.22 H new ATOM 0 HD22 LEU A 105 -15.301 -9.874 -34.044 1.00 0.22 H new ATOM 0 HD23 LEU A 105 -14.813 -11.349 -34.913 1.00 0.22 H new ATOM 1692 N VAL A 106 -10.811 -7.020 -35.058 1.00 52.24 N ATOM 1693 CA VAL A 106 -10.207 -6.003 -34.179 1.00 30.43 C ATOM 1694 C VAL A 106 -11.115 -5.851 -32.927 1.00 4.43 C ATOM 1695 O VAL A 106 -12.216 -5.308 -33.034 1.00 32.32 O ATOM 1696 CB VAL A 106 -10.036 -4.625 -34.935 1.00 54.04 C ATOM 1697 CG1 VAL A 106 -9.420 -3.531 -34.026 1.00 71.40 C ATOM 1698 CG2 VAL A 106 -9.206 -4.809 -36.231 1.00 22.25 C ATOM 0 H VAL A 106 -11.460 -6.635 -35.745 1.00 52.24 H new ATOM 0 HA VAL A 106 -9.208 -6.318 -33.876 1.00 30.43 H new ATOM 0 HB VAL A 106 -11.033 -4.281 -35.211 1.00 54.04 H new ATOM 0 HG11 VAL A 106 -9.322 -2.603 -34.589 1.00 71.40 H new ATOM 0 HG12 VAL A 106 -10.068 -3.366 -33.165 1.00 71.40 H new ATOM 0 HG13 VAL A 106 -8.437 -3.853 -33.684 1.00 71.40 H new ATOM 0 HG21 VAL A 106 -9.101 -3.848 -36.735 1.00 22.25 H new ATOM 0 HG22 VAL A 106 -8.219 -5.197 -35.979 1.00 22.25 H new ATOM 0 HG23 VAL A 106 -9.714 -5.512 -36.892 1.00 22.25 H new ATOM 1708 N PRO A 107 -10.696 -6.383 -31.735 1.00 11.23 N ATOM 1709 CA PRO A 107 -11.509 -6.358 -30.494 1.00 74.52 C ATOM 1710 C PRO A 107 -11.159 -5.172 -29.566 1.00 72.44 C ATOM 1711 O PRO A 107 -11.310 -5.263 -28.335 1.00 2.20 O ATOM 1712 CB PRO A 107 -11.128 -7.720 -29.875 1.00 33.24 C ATOM 1713 CG PRO A 107 -9.674 -7.907 -30.230 1.00 22.23 C ATOM 1714 CD PRO A 107 -9.406 -7.083 -31.487 1.00 33.32 C ATOM 0 HA PRO A 107 -12.576 -6.220 -30.666 1.00 74.52 H new ATOM 0 HB2 PRO A 107 -11.275 -7.719 -28.795 1.00 33.24 H new ATOM 0 HB3 PRO A 107 -11.741 -8.525 -30.280 1.00 33.24 H new ATOM 0 HG2 PRO A 107 -9.033 -7.579 -29.411 1.00 22.23 H new ATOM 0 HG3 PRO A 107 -9.453 -8.960 -30.406 1.00 22.23 H new ATOM 0 HD2 PRO A 107 -8.590 -6.376 -31.336 1.00 33.32 H new ATOM 0 HD3 PRO A 107 -9.127 -7.717 -32.329 1.00 33.32 H new ATOM 1722 N ARG A 108 -10.715 -4.056 -30.176 1.00 15.34 N ATOM 1723 CA ARG A 108 -10.337 -2.835 -29.453 1.00 74.20 C ATOM 1724 C ARG A 108 -11.601 -2.090 -28.985 1.00 23.31 C ATOM 1725 O ARG A 108 -12.158 -1.249 -29.703 1.00 22.41 O ATOM 1726 CB ARG A 108 -9.420 -1.946 -30.344 1.00 71.42 C ATOM 1727 CG ARG A 108 -8.992 -0.600 -29.715 1.00 34.32 C ATOM 1728 CD ARG A 108 -7.867 0.098 -30.497 1.00 1.15 C ATOM 1729 NE ARG A 108 -8.197 0.293 -31.921 1.00 4.22 N ATOM 1730 CZ ARG A 108 -7.379 0.019 -32.956 1.00 11.04 C ATOM 1731 NH1 ARG A 108 -6.160 -0.475 -32.750 1.00 64.23 N ATOM 1732 NH2 ARG A 108 -7.790 0.250 -34.195 1.00 5.30 N ATOM 0 H ARG A 108 -10.610 -3.980 -31.188 1.00 15.34 H new ATOM 0 HA ARG A 108 -9.764 -3.096 -28.563 1.00 74.20 H new ATOM 0 HB2 ARG A 108 -8.523 -2.513 -30.593 1.00 71.42 H new ATOM 0 HB3 ARG A 108 -9.939 -1.742 -31.281 1.00 71.42 H new ATOM 0 HG2 ARG A 108 -9.856 0.062 -29.664 1.00 34.32 H new ATOM 0 HG3 ARG A 108 -8.662 -0.773 -28.691 1.00 34.32 H new ATOM 0 HD2 ARG A 108 -7.660 1.066 -30.041 1.00 1.15 H new ATOM 0 HD3 ARG A 108 -6.955 -0.493 -30.418 1.00 1.15 H new ATOM 0 HE ARG A 108 -9.121 0.666 -32.141 1.00 4.22 H new ATOM 0 HH11 ARG A 108 -5.835 -0.651 -31.799 1.00 64.23 H new ATOM 0 HH12 ARG A 108 -5.551 -0.678 -33.543 1.00 64.23 H new ATOM 0 HH21 ARG A 108 -8.721 0.633 -34.361 1.00 5.30 H new ATOM 0 HH22 ARG A 108 -7.175 0.045 -34.983 1.00 5.30 H new ATOM 1746 N GLY A 109 -12.070 -2.468 -27.792 1.00 41.00 N ATOM 1747 CA GLY A 109 -13.254 -1.881 -27.186 1.00 4.11 C ATOM 1748 C GLY A 109 -13.153 -1.869 -25.670 1.00 73.13 C ATOM 1749 O GLY A 109 -13.633 -2.791 -24.994 1.00 23.32 O ATOM 0 H GLY A 109 -11.633 -3.193 -27.223 1.00 41.00 H new ATOM 0 HA2 GLY A 109 -13.385 -0.862 -27.551 1.00 4.11 H new ATOM 0 HA3 GLY A 109 -14.137 -2.444 -27.489 1.00 4.11 H new ATOM 1753 N SER A 110 -12.498 -0.824 -25.142 1.00 4.30 N ATOM 1754 CA SER A 110 -12.363 -0.603 -23.698 1.00 51.24 C ATOM 1755 C SER A 110 -13.710 -0.126 -23.105 1.00 54.21 C ATOM 1756 O SER A 110 -14.062 1.060 -23.193 1.00 45.44 O ATOM 1757 CB SER A 110 -11.221 0.413 -23.437 1.00 71.41 C ATOM 1758 OG SER A 110 -11.382 1.606 -24.200 1.00 60.14 O ATOM 0 H SER A 110 -12.046 -0.107 -25.709 1.00 4.30 H new ATOM 0 HA SER A 110 -12.103 -1.537 -23.201 1.00 51.24 H new ATOM 0 HB2 SER A 110 -11.193 0.662 -22.376 1.00 71.41 H new ATOM 0 HB3 SER A 110 -10.264 -0.047 -23.682 1.00 71.41 H new ATOM 0 HG SER A 110 -12.316 1.899 -24.156 1.00 60.14 H new ATOM 1764 N GLY A 111 -14.474 -1.076 -22.552 1.00 54.12 N ATOM 1765 CA GLY A 111 -15.765 -0.787 -21.936 1.00 52.41 C ATOM 1766 C GLY A 111 -16.495 -2.067 -21.566 1.00 24.41 C ATOM 1767 O GLY A 111 -16.817 -2.292 -20.391 1.00 14.22 O ATOM 0 H GLY A 111 -14.212 -2.061 -22.521 1.00 54.12 H new ATOM 0 HA2 GLY A 111 -15.617 -0.178 -21.044 1.00 52.41 H new ATOM 0 HA3 GLY A 111 -16.376 -0.202 -22.623 1.00 52.41 H new ATOM 1771 N GLY A 112 -16.713 -2.929 -22.577 1.00 34.24 N ATOM 1772 CA GLY A 112 -17.412 -4.198 -22.382 1.00 5.10 C ATOM 1773 C GLY A 112 -17.402 -5.070 -23.635 1.00 14.32 C ATOM 1774 O GLY A 112 -18.101 -4.764 -24.610 1.00 64.30 O ATOM 0 H GLY A 112 -16.411 -2.762 -23.537 1.00 34.24 H new ATOM 0 HA2 GLY A 112 -16.947 -4.743 -21.561 1.00 5.10 H new ATOM 0 HA3 GLY A 112 -18.443 -4.000 -22.089 1.00 5.10 H new ATOM 1778 N ILE A 113 -16.596 -6.150 -23.612 1.00 34.32 N ATOM 1779 CA ILE A 113 -16.528 -7.143 -24.703 1.00 54.11 C ATOM 1780 C ILE A 113 -17.822 -8.003 -24.674 1.00 63.03 C ATOM 1781 O ILE A 113 -18.451 -8.153 -23.626 1.00 44.20 O ATOM 1782 CB ILE A 113 -15.240 -8.078 -24.585 1.00 60.20 C ATOM 1783 CG1 ILE A 113 -13.891 -7.257 -24.492 1.00 44.22 C ATOM 1784 CG2 ILE A 113 -15.168 -9.096 -25.760 1.00 40.53 C ATOM 1785 CD1 ILE A 113 -13.522 -6.746 -23.098 1.00 33.41 C ATOM 0 H ILE A 113 -15.971 -6.359 -22.833 1.00 34.32 H new ATOM 0 HA ILE A 113 -16.446 -6.611 -25.651 1.00 54.11 H new ATOM 0 HB ILE A 113 -15.352 -8.626 -23.649 1.00 60.20 H new ATOM 0 HG12 ILE A 113 -13.078 -7.886 -24.856 1.00 44.22 H new ATOM 0 HG13 ILE A 113 -13.959 -6.403 -25.166 1.00 44.22 H new ATOM 0 HG21 ILE A 113 -14.279 -9.717 -25.649 1.00 40.53 H new ATOM 0 HG22 ILE A 113 -16.056 -9.728 -25.749 1.00 40.53 H new ATOM 0 HG23 ILE A 113 -15.118 -8.557 -26.706 1.00 40.53 H new ATOM 0 HD11 ILE A 113 -12.581 -6.198 -23.149 1.00 33.41 H new ATOM 0 HD12 ILE A 113 -14.308 -6.085 -22.733 1.00 33.41 H new ATOM 0 HD13 ILE A 113 -13.413 -7.591 -22.418 1.00 33.41 H new ATOM 1797 N GLU A 114 -18.227 -8.527 -25.834 1.00 24.34 N ATOM 1798 CA GLU A 114 -19.394 -9.417 -25.963 1.00 61.31 C ATOM 1799 C GLU A 114 -18.992 -10.881 -25.631 1.00 2.12 C ATOM 1800 O GLU A 114 -18.336 -11.560 -26.430 1.00 35.44 O ATOM 1801 CB GLU A 114 -19.998 -9.270 -27.396 1.00 62.11 C ATOM 1802 CG GLU A 114 -18.985 -9.447 -28.551 1.00 21.50 C ATOM 1803 CD GLU A 114 -19.524 -8.984 -29.912 1.00 75.13 C ATOM 1804 OE1 GLU A 114 -19.325 -7.797 -30.258 1.00 12.31 O ATOM 1805 OE2 GLU A 114 -20.127 -9.799 -30.644 1.00 12.40 O ATOM 0 H GLU A 114 -17.754 -8.347 -26.719 1.00 24.34 H new ATOM 0 HA GLU A 114 -20.166 -9.134 -25.247 1.00 61.31 H new ATOM 0 HB2 GLU A 114 -20.795 -10.004 -27.516 1.00 62.11 H new ATOM 0 HB3 GLU A 114 -20.456 -8.285 -27.482 1.00 62.11 H new ATOM 0 HG2 GLU A 114 -18.079 -8.888 -28.318 1.00 21.50 H new ATOM 0 HG3 GLU A 114 -18.703 -10.498 -28.619 1.00 21.50 H new ATOM 1812 N GLY A 115 -19.322 -11.330 -24.406 1.00 10.13 N ATOM 1813 CA GLY A 115 -19.085 -12.719 -23.989 1.00 22.10 C ATOM 1814 C GLY A 115 -18.659 -12.854 -22.534 1.00 33.15 C ATOM 1815 O GLY A 115 -18.588 -11.860 -21.796 1.00 0.42 O ATOM 0 H GLY A 115 -19.754 -10.748 -23.689 1.00 10.13 H new ATOM 0 HA2 GLY A 115 -19.995 -13.297 -24.148 1.00 22.10 H new ATOM 0 HA3 GLY A 115 -18.315 -13.155 -24.626 1.00 22.10 H new ATOM 1819 N SER A 428 -18.383 -14.110 -22.122 1.00 11.22 N ATOM 1820 CA SER A 428 -17.931 -14.445 -20.751 1.00 12.42 C ATOM 1821 C SER A 428 -16.443 -14.091 -20.567 1.00 62.13 C ATOM 1822 O SER A 428 -15.962 -13.954 -19.432 1.00 63.11 O ATOM 1823 CB SER A 428 -18.201 -15.941 -20.450 1.00 63.12 C ATOM 1824 OG SER A 428 -18.085 -16.231 -19.064 1.00 5.52 O ATOM 0 H SER A 428 -18.467 -14.924 -22.731 1.00 11.22 H new ATOM 0 HA SER A 428 -18.500 -13.850 -20.037 1.00 12.42 H new ATOM 0 HB2 SER A 428 -19.201 -16.206 -20.794 1.00 63.12 H new ATOM 0 HB3 SER A 428 -17.497 -16.557 -21.010 1.00 63.12 H new ATOM 0 HG SER A 428 -18.263 -17.183 -18.913 1.00 5.52 H new ATOM 1830 N ILE A 429 -15.732 -13.929 -21.704 1.00 52.15 N ATOM 1831 CA ILE A 429 -14.361 -13.383 -21.752 1.00 52.32 C ATOM 1832 C ILE A 429 -14.316 -12.020 -21.035 1.00 62.02 C ATOM 1833 O ILE A 429 -13.427 -11.778 -20.232 1.00 2.30 O ATOM 1834 CB ILE A 429 -13.844 -13.284 -23.255 1.00 51.23 C ATOM 1835 CG1 ILE A 429 -12.394 -12.661 -23.412 1.00 44.02 C ATOM 1836 CG2 ILE A 429 -14.860 -12.547 -24.157 1.00 70.53 C ATOM 1837 CD1 ILE A 429 -12.290 -11.134 -23.578 1.00 32.41 C ATOM 0 H ILE A 429 -16.099 -14.177 -22.623 1.00 52.15 H new ATOM 0 HA ILE A 429 -13.686 -14.060 -21.229 1.00 52.32 H new ATOM 0 HB ILE A 429 -13.757 -14.318 -23.589 1.00 51.23 H new ATOM 0 HG12 ILE A 429 -11.810 -12.945 -22.537 1.00 44.02 H new ATOM 0 HG13 ILE A 429 -11.920 -13.126 -24.276 1.00 44.02 H new ATOM 0 HG21 ILE A 429 -14.474 -12.498 -25.175 1.00 70.53 H new ATOM 0 HG22 ILE A 429 -15.807 -13.086 -24.154 1.00 70.53 H new ATOM 0 HG23 ILE A 429 -15.016 -11.537 -23.779 1.00 70.53 H new ATOM 0 HD11 ILE A 429 -11.242 -10.849 -23.674 1.00 32.41 H new ATOM 0 HD12 ILE A 429 -12.833 -10.827 -24.472 1.00 32.41 H new ATOM 0 HD13 ILE A 429 -12.721 -10.643 -22.705 1.00 32.41 H new ATOM 1849 N ASP A 430 -15.338 -11.181 -21.284 1.00 74.02 N ATOM 1850 CA ASP A 430 -15.471 -9.853 -20.670 1.00 42.53 C ATOM 1851 C ASP A 430 -15.542 -9.941 -19.133 1.00 73.25 C ATOM 1852 O ASP A 430 -14.961 -9.111 -18.439 1.00 12.11 O ATOM 1853 CB ASP A 430 -16.738 -9.167 -21.211 1.00 31.10 C ATOM 1854 CG ASP A 430 -17.013 -7.790 -20.585 1.00 42.41 C ATOM 1855 OD1 ASP A 430 -16.157 -6.886 -20.720 1.00 74.44 O ATOM 1856 OD2 ASP A 430 -18.084 -7.597 -19.969 1.00 3.14 O ATOM 0 H ASP A 430 -16.099 -11.410 -21.923 1.00 74.02 H new ATOM 0 HA ASP A 430 -14.588 -9.269 -20.928 1.00 42.53 H new ATOM 0 HB2 ASP A 430 -16.645 -9.053 -22.291 1.00 31.10 H new ATOM 0 HB3 ASP A 430 -17.596 -9.815 -21.032 1.00 31.10 H new ATOM 1861 N GLU A 431 -16.256 -10.969 -18.638 1.00 43.15 N ATOM 1862 CA GLU A 431 -16.482 -11.181 -17.200 1.00 34.22 C ATOM 1863 C GLU A 431 -15.165 -11.540 -16.488 1.00 53.55 C ATOM 1864 O GLU A 431 -14.722 -10.791 -15.612 1.00 75.24 O ATOM 1865 CB GLU A 431 -17.574 -12.271 -16.994 1.00 73.23 C ATOM 1866 CG GLU A 431 -18.953 -11.863 -17.552 1.00 15.03 C ATOM 1867 CD GLU A 431 -20.036 -12.945 -17.399 1.00 61.21 C ATOM 1868 OE1 GLU A 431 -20.352 -13.639 -18.395 1.00 64.14 O ATOM 1869 OE2 GLU A 431 -20.586 -13.103 -16.283 1.00 71.24 O ATOM 0 H GLU A 431 -16.693 -11.677 -19.228 1.00 43.15 H new ATOM 0 HA GLU A 431 -16.843 -10.255 -16.751 1.00 34.22 H new ATOM 0 HB2 GLU A 431 -17.253 -13.194 -17.477 1.00 73.23 H new ATOM 0 HB3 GLU A 431 -17.669 -12.484 -15.929 1.00 73.23 H new ATOM 0 HG2 GLU A 431 -19.285 -10.957 -17.045 1.00 15.03 H new ATOM 0 HG3 GLU A 431 -18.847 -11.616 -18.608 1.00 15.03 H new ATOM 1876 N THR A 432 -14.505 -12.635 -16.932 1.00 72.14 N ATOM 1877 CA THR A 432 -13.255 -13.123 -16.306 1.00 42.10 C ATOM 1878 C THR A 432 -12.123 -12.072 -16.395 1.00 11.32 C ATOM 1879 O THR A 432 -11.397 -11.859 -15.409 1.00 63.20 O ATOM 1880 CB THR A 432 -12.782 -14.495 -16.903 1.00 52.12 C ATOM 1881 OG1 THR A 432 -11.587 -14.956 -16.243 1.00 52.24 O ATOM 1882 CG2 THR A 432 -12.521 -14.427 -18.417 1.00 22.14 C ATOM 0 H THR A 432 -14.819 -13.198 -17.723 1.00 72.14 H new ATOM 0 HA THR A 432 -13.486 -13.288 -15.254 1.00 42.10 H new ATOM 0 HB THR A 432 -13.599 -15.196 -16.732 1.00 52.12 H new ATOM 0 HG1 THR A 432 -11.310 -15.813 -16.629 1.00 52.24 H new ATOM 0 HG21 THR A 432 -12.197 -15.404 -18.775 1.00 22.14 H new ATOM 0 HG22 THR A 432 -13.437 -14.138 -18.932 1.00 22.14 H new ATOM 0 HG23 THR A 432 -11.744 -13.690 -18.619 1.00 22.14 H new ATOM 1890 N VAL A 433 -12.015 -11.387 -17.560 1.00 33.14 N ATOM 1891 CA VAL A 433 -11.042 -10.305 -17.751 1.00 2.23 C ATOM 1892 C VAL A 433 -11.315 -9.178 -16.757 1.00 24.44 C ATOM 1893 O VAL A 433 -10.412 -8.777 -16.057 1.00 41.45 O ATOM 1894 CB VAL A 433 -11.047 -9.744 -19.223 1.00 43.10 C ATOM 1895 CG1 VAL A 433 -10.217 -8.440 -19.360 1.00 20.34 C ATOM 1896 CG2 VAL A 433 -10.538 -10.817 -20.208 1.00 72.51 C ATOM 0 H VAL A 433 -12.595 -11.572 -18.378 1.00 33.14 H new ATOM 0 HA VAL A 433 -10.052 -10.723 -17.571 1.00 2.23 H new ATOM 0 HB VAL A 433 -12.079 -9.493 -19.470 1.00 43.10 H new ATOM 0 HG11 VAL A 433 -10.252 -8.093 -20.393 1.00 20.34 H new ATOM 0 HG12 VAL A 433 -10.633 -7.674 -18.706 1.00 20.34 H new ATOM 0 HG13 VAL A 433 -9.183 -8.636 -19.078 1.00 20.34 H new ATOM 0 HG21 VAL A 433 -10.547 -10.415 -21.221 1.00 72.51 H new ATOM 0 HG22 VAL A 433 -9.521 -11.103 -19.940 1.00 72.51 H new ATOM 0 HG23 VAL A 433 -11.186 -11.692 -20.159 1.00 72.51 H new ATOM 1906 N ALA A 434 -12.587 -8.737 -16.661 1.00 35.34 N ATOM 1907 CA ALA A 434 -12.982 -7.619 -15.784 1.00 55.53 C ATOM 1908 C ALA A 434 -12.648 -7.899 -14.311 1.00 14.55 C ATOM 1909 O ALA A 434 -12.293 -6.979 -13.576 1.00 64.12 O ATOM 1910 CB ALA A 434 -14.474 -7.305 -15.942 1.00 71.05 C ATOM 0 H ALA A 434 -13.362 -9.143 -17.185 1.00 35.34 H new ATOM 0 HA ALA A 434 -12.404 -6.748 -16.093 1.00 55.53 H new ATOM 0 HB1 ALA A 434 -14.743 -6.477 -15.286 1.00 71.05 H new ATOM 0 HB2 ALA A 434 -14.680 -7.030 -16.976 1.00 71.05 H new ATOM 0 HB3 ALA A 434 -15.061 -8.184 -15.676 1.00 71.05 H new ATOM 1916 N ARG A 435 -12.746 -9.181 -13.892 1.00 51.34 N ATOM 1917 CA ARG A 435 -12.467 -9.575 -12.498 1.00 41.33 C ATOM 1918 C ARG A 435 -10.962 -9.450 -12.199 1.00 73.24 C ATOM 1919 O ARG A 435 -10.569 -8.762 -11.256 1.00 12.22 O ATOM 1920 CB ARG A 435 -12.963 -11.021 -12.194 1.00 24.43 C ATOM 1921 CG ARG A 435 -14.440 -11.310 -12.573 1.00 54.03 C ATOM 1922 CD ARG A 435 -15.423 -10.196 -12.145 1.00 64.13 C ATOM 1923 NE ARG A 435 -16.786 -10.419 -12.666 1.00 11.23 N ATOM 1924 CZ ARG A 435 -17.575 -9.477 -13.209 1.00 41.42 C ATOM 1925 NH1 ARG A 435 -17.166 -8.212 -13.324 1.00 41.21 N ATOM 1926 NH2 ARG A 435 -18.792 -9.799 -13.611 1.00 22.11 N ATOM 0 H ARG A 435 -13.015 -9.955 -14.499 1.00 51.34 H new ATOM 0 HA ARG A 435 -13.018 -8.896 -11.847 1.00 41.33 H new ATOM 0 HB2 ARG A 435 -12.324 -11.726 -12.726 1.00 24.43 H new ATOM 0 HB3 ARG A 435 -12.834 -11.215 -11.129 1.00 24.43 H new ATOM 0 HG2 ARG A 435 -14.508 -11.447 -13.652 1.00 54.03 H new ATOM 0 HG3 ARG A 435 -14.747 -12.249 -12.112 1.00 54.03 H new ATOM 0 HD2 ARG A 435 -15.457 -10.143 -11.057 1.00 64.13 H new ATOM 0 HD3 ARG A 435 -15.054 -9.234 -12.500 1.00 64.13 H new ATOM 0 HE ARG A 435 -17.160 -11.366 -12.609 1.00 11.23 H new ATOM 0 HH11 ARG A 435 -16.238 -7.944 -12.996 1.00 41.21 H new ATOM 0 HH12 ARG A 435 -17.781 -7.513 -13.740 1.00 41.21 H new ATOM 0 HH21 ARG A 435 -19.126 -10.757 -13.508 1.00 22.11 H new ATOM 0 HH22 ARG A 435 -19.397 -9.089 -14.024 1.00 22.11 H new ATOM 1940 N TYR A 436 -10.129 -10.084 -13.048 1.00 54.43 N ATOM 1941 CA TYR A 436 -8.658 -10.057 -12.890 1.00 34.32 C ATOM 1942 C TYR A 436 -8.079 -8.657 -13.180 1.00 14.02 C ATOM 1943 O TYR A 436 -7.018 -8.323 -12.675 1.00 13.24 O ATOM 1944 CB TYR A 436 -7.983 -11.116 -13.802 1.00 11.30 C ATOM 1945 CG TYR A 436 -8.312 -12.567 -13.423 1.00 44.14 C ATOM 1946 CD1 TYR A 436 -8.027 -13.049 -12.143 1.00 13.12 C ATOM 1947 CD2 TYR A 436 -8.896 -13.450 -14.336 1.00 33.34 C ATOM 1948 CE1 TYR A 436 -8.317 -14.351 -11.789 1.00 32.34 C ATOM 1949 CE2 TYR A 436 -9.185 -14.755 -13.982 1.00 51.10 C ATOM 1950 CZ TYR A 436 -8.894 -15.200 -12.710 1.00 40.42 C ATOM 1951 OH TYR A 436 -9.199 -16.495 -12.348 1.00 71.52 O ATOM 0 H TYR A 436 -10.449 -10.623 -13.853 1.00 54.43 H new ATOM 0 HA TYR A 436 -8.441 -10.301 -11.850 1.00 34.32 H new ATOM 0 HB2 TYR A 436 -8.291 -10.942 -14.833 1.00 11.30 H new ATOM 0 HB3 TYR A 436 -6.903 -10.977 -13.764 1.00 11.30 H new ATOM 0 HD1 TYR A 436 -7.572 -12.391 -11.418 1.00 13.12 H new ATOM 0 HD2 TYR A 436 -9.125 -13.107 -15.334 1.00 33.34 H new ATOM 0 HE1 TYR A 436 -8.093 -14.704 -10.793 1.00 32.34 H new ATOM 0 HE2 TYR A 436 -9.637 -15.424 -14.700 1.00 51.10 H new ATOM 0 HH TYR A 436 -9.601 -16.962 -13.110 1.00 71.52 H new ATOM 1961 N LYS A 437 -8.800 -7.863 -13.987 1.00 21.55 N ATOM 1962 CA LYS A 437 -8.414 -6.489 -14.376 1.00 10.43 C ATOM 1963 C LYS A 437 -8.679 -5.529 -13.217 1.00 51.24 C ATOM 1964 O LYS A 437 -7.882 -4.634 -12.960 1.00 45.40 O ATOM 1965 CB LYS A 437 -9.204 -6.056 -15.646 1.00 53.35 C ATOM 1966 CG LYS A 437 -8.934 -4.628 -16.179 1.00 11.32 C ATOM 1967 CD LYS A 437 -9.798 -4.312 -17.432 1.00 52.20 C ATOM 1968 CE LYS A 437 -9.658 -2.858 -17.911 1.00 40.03 C ATOM 1969 NZ LYS A 437 -10.176 -1.884 -16.914 1.00 60.33 N ATOM 0 H LYS A 437 -9.685 -8.160 -14.398 1.00 21.55 H new ATOM 0 HA LYS A 437 -7.349 -6.464 -14.609 1.00 10.43 H new ATOM 0 HB2 LYS A 437 -8.981 -6.765 -16.444 1.00 53.35 H new ATOM 0 HB3 LYS A 437 -10.269 -6.143 -15.431 1.00 53.35 H new ATOM 0 HG2 LYS A 437 -9.148 -3.900 -15.396 1.00 11.32 H new ATOM 0 HG3 LYS A 437 -7.878 -4.526 -16.429 1.00 11.32 H new ATOM 0 HD2 LYS A 437 -9.512 -4.984 -18.241 1.00 52.20 H new ATOM 0 HD3 LYS A 437 -10.845 -4.514 -17.204 1.00 52.20 H new ATOM 0 HE2 LYS A 437 -8.609 -2.644 -18.114 1.00 40.03 H new ATOM 0 HE3 LYS A 437 -10.196 -2.734 -18.851 1.00 40.03 H new ATOM 0 HZ1 LYS A 437 -10.187 -0.932 -17.332 1.00 60.33 H new ATOM 0 HZ2 LYS A 437 -11.142 -2.151 -16.637 1.00 60.33 H new ATOM 0 HZ3 LYS A 437 -9.562 -1.887 -16.075 1.00 60.33 H new ATOM 1983 N ALA A 438 -9.812 -5.737 -12.521 1.00 42.31 N ATOM 1984 CA ALA A 438 -10.178 -4.950 -11.333 1.00 12.20 C ATOM 1985 C ALA A 438 -9.222 -5.253 -10.174 1.00 14.34 C ATOM 1986 O ALA A 438 -8.679 -4.335 -9.558 1.00 24.10 O ATOM 1987 CB ALA A 438 -11.631 -5.225 -10.934 1.00 32.41 C ATOM 0 H ALA A 438 -10.496 -6.453 -12.767 1.00 42.31 H new ATOM 0 HA ALA A 438 -10.090 -3.891 -11.576 1.00 12.20 H new ATOM 0 HB1 ALA A 438 -11.885 -4.635 -10.054 1.00 32.41 H new ATOM 0 HB2 ALA A 438 -12.292 -4.952 -11.757 1.00 32.41 H new ATOM 0 HB3 ALA A 438 -11.752 -6.284 -10.708 1.00 32.41 H new ATOM 1993 N GLN A 439 -8.990 -6.557 -9.918 1.00 2.52 N ATOM 1994 CA GLN A 439 -8.047 -7.016 -8.883 1.00 4.43 C ATOM 1995 C GLN A 439 -6.621 -6.510 -9.183 1.00 75.31 C ATOM 1996 O GLN A 439 -5.908 -6.074 -8.276 1.00 51.04 O ATOM 1997 CB GLN A 439 -8.048 -8.567 -8.777 1.00 45.11 C ATOM 1998 CG GLN A 439 -9.374 -9.204 -8.305 1.00 75.24 C ATOM 1999 CD GLN A 439 -9.863 -8.671 -6.957 1.00 54.23 C ATOM 2000 OE1 GLN A 439 -9.496 -9.180 -5.899 1.00 21.22 O ATOM 2001 NE2 GLN A 439 -10.720 -7.661 -6.989 1.00 21.44 N ATOM 0 H GLN A 439 -9.449 -7.316 -10.421 1.00 2.52 H new ATOM 0 HA GLN A 439 -8.374 -6.603 -7.928 1.00 4.43 H new ATOM 0 HB2 GLN A 439 -7.795 -8.980 -9.753 1.00 45.11 H new ATOM 0 HB3 GLN A 439 -7.257 -8.867 -8.089 1.00 45.11 H new ATOM 0 HG2 GLN A 439 -10.142 -9.025 -9.058 1.00 75.24 H new ATOM 0 HG3 GLN A 439 -9.244 -10.284 -8.234 1.00 75.24 H new ATOM 0 HE21 GLN A 439 -11.004 -7.261 -7.883 1.00 21.44 H new ATOM 0 HE22 GLN A 439 -11.096 -7.283 -6.119 1.00 21.44 H new ATOM 2010 N PHE A 440 -6.237 -6.542 -10.478 1.00 53.20 N ATOM 2011 CA PHE A 440 -4.931 -6.047 -10.935 1.00 41.04 C ATOM 2012 C PHE A 440 -4.805 -4.543 -10.625 1.00 65.20 C ATOM 2013 O PHE A 440 -3.931 -4.150 -9.878 1.00 3.23 O ATOM 2014 CB PHE A 440 -4.721 -6.321 -12.451 1.00 71.33 C ATOM 2015 CG PHE A 440 -3.335 -5.958 -12.979 1.00 35.42 C ATOM 2016 CD1 PHE A 440 -2.247 -6.806 -12.763 1.00 54.40 C ATOM 2017 CD2 PHE A 440 -3.110 -4.768 -13.678 1.00 52.24 C ATOM 2018 CE1 PHE A 440 -0.987 -6.477 -13.227 1.00 51.43 C ATOM 2019 CE2 PHE A 440 -1.848 -4.446 -14.141 1.00 74.11 C ATOM 2020 CZ PHE A 440 -0.787 -5.299 -13.914 1.00 71.24 C ATOM 0 H PHE A 440 -6.823 -6.910 -11.227 1.00 53.20 H new ATOM 0 HA PHE A 440 -4.150 -6.585 -10.397 1.00 41.04 H new ATOM 0 HB2 PHE A 440 -4.903 -7.378 -12.644 1.00 71.33 H new ATOM 0 HB3 PHE A 440 -5.468 -5.761 -13.014 1.00 71.33 H new ATOM 0 HD1 PHE A 440 -2.392 -7.732 -12.226 1.00 54.40 H new ATOM 0 HD2 PHE A 440 -3.933 -4.092 -13.858 1.00 52.24 H new ATOM 0 HE1 PHE A 440 -0.157 -7.145 -13.051 1.00 51.43 H new ATOM 0 HE2 PHE A 440 -1.692 -3.524 -14.682 1.00 74.11 H new ATOM 0 HZ PHE A 440 0.199 -5.044 -14.274 1.00 71.24 H new ATOM 2030 N THR A 441 -5.772 -3.750 -11.133 1.00 64.14 N ATOM 2031 CA THR A 441 -5.767 -2.265 -11.084 1.00 62.34 C ATOM 2032 C THR A 441 -5.807 -1.708 -9.642 1.00 51.11 C ATOM 2033 O THR A 441 -5.204 -0.670 -9.355 1.00 1.13 O ATOM 2034 CB THR A 441 -6.976 -1.713 -11.924 1.00 35.45 C ATOM 2035 OG1 THR A 441 -6.789 -2.077 -13.304 1.00 73.13 O ATOM 2036 CG2 THR A 441 -7.156 -0.180 -11.830 1.00 64.40 C ATOM 0 H THR A 441 -6.597 -4.128 -11.599 1.00 64.14 H new ATOM 0 HA THR A 441 -4.825 -1.925 -11.515 1.00 62.34 H new ATOM 0 HB THR A 441 -7.878 -2.159 -11.505 1.00 35.45 H new ATOM 0 HG1 THR A 441 -7.128 -2.985 -13.452 1.00 73.13 H new ATOM 0 HG21 THR A 441 -8.010 0.124 -12.436 1.00 64.40 H new ATOM 0 HG22 THR A 441 -7.329 0.103 -10.792 1.00 64.40 H new ATOM 0 HG23 THR A 441 -6.257 0.315 -12.196 1.00 64.40 H new ATOM 2044 N GLN A 442 -6.508 -2.411 -8.751 1.00 52.21 N ATOM 2045 CA GLN A 442 -6.684 -1.988 -7.351 1.00 52.44 C ATOM 2046 C GLN A 442 -5.440 -2.325 -6.509 1.00 45.31 C ATOM 2047 O GLN A 442 -4.958 -1.480 -5.752 1.00 61.41 O ATOM 2048 CB GLN A 442 -7.946 -2.652 -6.778 1.00 30.54 C ATOM 2049 CG GLN A 442 -9.270 -2.123 -7.374 1.00 32.45 C ATOM 2050 CD GLN A 442 -10.496 -2.954 -6.976 1.00 5.51 C ATOM 2051 OE1 GLN A 442 -10.336 -4.269 -6.895 1.00 2.10 O flip ATOM 2052 NE2 GLN A 442 -11.596 -2.424 -6.805 1.00 52.33 N flip ATOM 0 H GLN A 442 -6.972 -3.291 -8.975 1.00 52.21 H new ATOM 0 HA GLN A 442 -6.807 -0.906 -7.316 1.00 52.44 H new ATOM 0 HB2 GLN A 442 -7.887 -3.727 -6.951 1.00 30.54 H new ATOM 0 HB3 GLN A 442 -7.962 -2.503 -5.698 1.00 30.54 H new ATOM 0 HG2 GLN A 442 -9.419 -1.093 -7.050 1.00 32.45 H new ATOM 0 HG3 GLN A 442 -9.189 -2.107 -8.461 1.00 32.45 H new ATOM 0 HE21 GLN A 442 -11.690 -1.411 -6.873 1.00 52.33 H new ATOM 0 HE22 GLN A 442 -12.412 -2.999 -6.595 1.00 52.33 H new ATOM 2061 N LEU A 443 -4.912 -3.559 -6.650 1.00 13.04 N ATOM 2062 CA LEU A 443 -3.627 -3.947 -6.013 1.00 44.22 C ATOM 2063 C LEU A 443 -2.443 -3.175 -6.666 1.00 42.22 C ATOM 2064 O LEU A 443 -1.364 -3.073 -6.078 1.00 43.14 O ATOM 2065 CB LEU A 443 -3.392 -5.496 -6.085 1.00 3.30 C ATOM 2066 CG LEU A 443 -4.150 -6.423 -5.057 1.00 74.34 C ATOM 2067 CD1 LEU A 443 -5.684 -6.325 -5.160 1.00 62.23 C ATOM 2068 CD2 LEU A 443 -3.687 -7.896 -5.215 1.00 4.10 C ATOM 0 H LEU A 443 -5.349 -4.302 -7.195 1.00 13.04 H new ATOM 0 HA LEU A 443 -3.681 -3.675 -4.959 1.00 44.22 H new ATOM 0 HB2 LEU A 443 -3.661 -5.825 -7.089 1.00 3.30 H new ATOM 0 HB3 LEU A 443 -2.323 -5.675 -5.966 1.00 3.30 H new ATOM 0 HG LEU A 443 -3.887 -6.062 -4.063 1.00 74.34 H new ATOM 0 HD11 LEU A 443 -6.141 -6.988 -4.425 1.00 62.23 H new ATOM 0 HD12 LEU A 443 -5.997 -5.299 -4.967 1.00 62.23 H new ATOM 0 HD13 LEU A 443 -6.001 -6.619 -6.161 1.00 62.23 H new ATOM 0 HD21 LEU A 443 -4.219 -8.523 -4.499 1.00 4.10 H new ATOM 0 HD22 LEU A 443 -3.902 -8.238 -6.227 1.00 4.10 H new ATOM 0 HD23 LEU A 443 -2.615 -7.962 -5.029 1.00 4.10 H new ATOM 2080 N ASP A 444 -2.673 -2.648 -7.892 1.00 71.31 N ATOM 2081 CA ASP A 444 -1.692 -1.846 -8.664 1.00 51.12 C ATOM 2082 C ASP A 444 -1.633 -0.404 -8.145 1.00 63.41 C ATOM 2083 O ASP A 444 -0.541 0.121 -7.922 1.00 50.14 O ATOM 2084 CB ASP A 444 -2.059 -1.859 -10.176 1.00 50.54 C ATOM 2085 CG ASP A 444 -1.206 -0.929 -11.056 1.00 12.23 C ATOM 2086 OD1 ASP A 444 -1.654 0.197 -11.354 1.00 52.42 O ATOM 2087 OD2 ASP A 444 -0.093 -1.326 -11.469 1.00 14.41 O ATOM 0 H ASP A 444 -3.560 -2.770 -8.381 1.00 71.31 H new ATOM 0 HA ASP A 444 -0.707 -2.295 -8.534 1.00 51.12 H new ATOM 0 HB2 ASP A 444 -1.963 -2.878 -10.550 1.00 50.54 H new ATOM 0 HB3 ASP A 444 -3.107 -1.577 -10.283 1.00 50.54 H new ATOM 2092 N THR A 445 -2.807 0.248 -7.967 1.00 75.22 N ATOM 2093 CA THR A 445 -2.858 1.622 -7.422 1.00 14.33 C ATOM 2094 C THR A 445 -2.358 1.619 -5.969 1.00 35.15 C ATOM 2095 O THR A 445 -1.694 2.569 -5.535 1.00 53.32 O ATOM 2096 CB THR A 445 -4.274 2.303 -7.532 1.00 32.32 C ATOM 2097 OG1 THR A 445 -4.208 3.660 -7.037 1.00 72.21 O ATOM 2098 CG2 THR A 445 -5.373 1.549 -6.766 1.00 72.32 C ATOM 0 H THR A 445 -3.719 -0.151 -8.190 1.00 75.22 H new ATOM 0 HA THR A 445 -2.200 2.231 -8.042 1.00 14.33 H new ATOM 0 HB THR A 445 -4.541 2.285 -8.589 1.00 32.32 H new ATOM 0 HG1 THR A 445 -5.091 4.078 -7.110 1.00 72.21 H new ATOM 0 HG21 THR A 445 -6.322 2.072 -6.884 1.00 72.32 H new ATOM 0 HG22 THR A 445 -5.464 0.538 -7.162 1.00 72.32 H new ATOM 0 HG23 THR A 445 -5.113 1.502 -5.708 1.00 72.32 H new ATOM 2106 N MET A 446 -2.640 0.506 -5.243 1.00 40.42 N ATOM 2107 CA MET A 446 -2.094 0.280 -3.905 1.00 24.14 C ATOM 2108 C MET A 446 -0.564 0.196 -3.970 1.00 71.12 C ATOM 2109 O MET A 446 0.110 0.900 -3.235 1.00 52.41 O ATOM 2110 CB MET A 446 -2.649 -1.014 -3.253 1.00 21.21 C ATOM 2111 CG MET A 446 -2.241 -1.154 -1.780 1.00 43.24 C ATOM 2112 SD MET A 446 -2.783 -2.680 -0.993 1.00 65.41 S ATOM 2113 CE MET A 446 -2.073 -2.451 0.641 1.00 33.14 C ATOM 0 H MET A 446 -3.246 -0.244 -5.575 1.00 40.42 H new ATOM 0 HA MET A 446 -2.401 1.124 -3.288 1.00 24.14 H new ATOM 0 HB2 MET A 446 -3.736 -1.016 -3.327 1.00 21.21 H new ATOM 0 HB3 MET A 446 -2.290 -1.880 -3.810 1.00 21.21 H new ATOM 0 HG2 MET A 446 -1.155 -1.090 -1.710 1.00 43.24 H new ATOM 0 HG3 MET A 446 -2.646 -0.310 -1.223 1.00 43.24 H new ATOM 0 HE1 MET A 446 -1.458 -3.314 0.895 1.00 33.14 H new ATOM 0 HE2 MET A 446 -1.457 -1.552 0.647 1.00 33.14 H new ATOM 0 HE3 MET A 446 -2.873 -2.348 1.374 1.00 33.14 H new ATOM 2123 N MET A 447 -0.045 -0.659 -4.888 1.00 12.40 N ATOM 2124 CA MET A 447 1.404 -0.924 -5.038 1.00 40.53 C ATOM 2125 C MET A 447 2.199 0.341 -5.352 1.00 35.33 C ATOM 2126 O MET A 447 3.214 0.605 -4.713 1.00 21.52 O ATOM 2127 CB MET A 447 1.686 -1.995 -6.126 1.00 52.22 C ATOM 2128 CG MET A 447 3.178 -2.133 -6.523 1.00 13.01 C ATOM 2129 SD MET A 447 3.506 -3.626 -7.460 1.00 24.20 S ATOM 2130 CE MET A 447 3.175 -4.829 -6.188 1.00 34.51 C ATOM 0 H MET A 447 -0.623 -1.183 -5.545 1.00 12.40 H new ATOM 0 HA MET A 447 1.735 -1.305 -4.072 1.00 40.53 H new ATOM 0 HB2 MET A 447 1.328 -2.960 -5.769 1.00 52.22 H new ATOM 0 HB3 MET A 447 1.108 -1.750 -7.017 1.00 52.22 H new ATOM 0 HG2 MET A 447 3.475 -1.266 -7.113 1.00 13.01 H new ATOM 0 HG3 MET A 447 3.792 -2.131 -5.622 1.00 13.01 H new ATOM 0 HE1 MET A 447 4.034 -5.491 -6.081 1.00 34.51 H new ATOM 0 HE2 MET A 447 2.991 -4.318 -5.243 1.00 34.51 H new ATOM 0 HE3 MET A 447 2.297 -5.415 -6.461 1.00 34.51 H new ATOM 2140 N SER A 448 1.725 1.103 -6.335 1.00 24.01 N ATOM 2141 CA SER A 448 2.407 2.305 -6.823 1.00 52.41 C ATOM 2142 C SER A 448 2.473 3.375 -5.726 1.00 71.30 C ATOM 2143 O SER A 448 3.537 3.965 -5.483 1.00 64.50 O ATOM 2144 CB SER A 448 1.667 2.830 -8.060 1.00 65.31 C ATOM 2145 OG SER A 448 0.288 2.991 -7.780 1.00 21.32 O ATOM 0 H SER A 448 0.850 0.904 -6.821 1.00 24.01 H new ATOM 0 HA SER A 448 3.432 2.056 -7.097 1.00 52.41 H new ATOM 0 HB2 SER A 448 2.095 3.783 -8.370 1.00 65.31 H new ATOM 0 HB3 SER A 448 1.797 2.137 -8.891 1.00 65.31 H new ATOM 0 HG SER A 448 -0.169 2.130 -7.883 1.00 21.32 H new ATOM 2151 N LYS A 449 1.329 3.589 -5.046 1.00 21.54 N ATOM 2152 CA LYS A 449 1.251 4.540 -3.936 1.00 33.33 C ATOM 2153 C LYS A 449 2.087 4.069 -2.732 1.00 1.55 C ATOM 2154 O LYS A 449 2.763 4.886 -2.115 1.00 30.23 O ATOM 2155 CB LYS A 449 -0.213 4.780 -3.499 1.00 23.44 C ATOM 2156 CG LYS A 449 -1.094 5.520 -4.534 1.00 64.34 C ATOM 2157 CD LYS A 449 -2.503 5.844 -3.972 1.00 53.44 C ATOM 2158 CE LYS A 449 -2.447 6.808 -2.771 1.00 54.40 C ATOM 2159 NZ LYS A 449 -3.780 7.044 -2.155 1.00 40.34 N ATOM 0 H LYS A 449 0.451 3.113 -5.251 1.00 21.54 H new ATOM 0 HA LYS A 449 1.663 5.482 -4.297 1.00 33.33 H new ATOM 0 HB2 LYS A 449 -0.672 3.817 -3.277 1.00 23.44 H new ATOM 0 HB3 LYS A 449 -0.210 5.353 -2.572 1.00 23.44 H new ATOM 0 HG2 LYS A 449 -0.602 6.445 -4.834 1.00 64.34 H new ATOM 0 HG3 LYS A 449 -1.193 4.907 -5.430 1.00 64.34 H new ATOM 0 HD2 LYS A 449 -3.113 6.285 -4.760 1.00 53.44 H new ATOM 0 HD3 LYS A 449 -2.993 4.918 -3.669 1.00 53.44 H new ATOM 0 HE2 LYS A 449 -1.771 6.403 -2.018 1.00 54.40 H new ATOM 0 HE3 LYS A 449 -2.029 7.761 -3.096 1.00 54.40 H new ATOM 0 HZ1 LYS A 449 -3.684 7.712 -1.364 1.00 40.34 H new ATOM 0 HZ2 LYS A 449 -4.426 7.441 -2.867 1.00 40.34 H new ATOM 0 HZ3 LYS A 449 -4.164 6.144 -1.803 1.00 40.34 H new ATOM 2173 N LEU A 450 2.058 2.746 -2.424 1.00 13.32 N ATOM 2174 CA LEU A 450 2.779 2.192 -1.253 1.00 55.43 C ATOM 2175 C LEU A 450 4.286 2.156 -1.523 1.00 20.33 C ATOM 2176 O LEU A 450 5.083 2.171 -0.597 1.00 41.44 O ATOM 2177 CB LEU A 450 2.208 0.795 -0.774 1.00 31.32 C ATOM 2178 CG LEU A 450 2.510 -0.531 -1.584 1.00 44.23 C ATOM 2179 CD1 LEU A 450 3.951 -1.075 -1.401 1.00 13.52 C ATOM 2180 CD2 LEU A 450 1.488 -1.635 -1.225 1.00 42.14 C ATOM 0 H LEU A 450 1.547 2.050 -2.967 1.00 13.32 H new ATOM 0 HA LEU A 450 2.606 2.865 -0.413 1.00 55.43 H new ATOM 0 HB2 LEU A 450 2.566 0.636 0.243 1.00 31.32 H new ATOM 0 HB3 LEU A 450 1.124 0.895 -0.719 1.00 31.32 H new ATOM 0 HG LEU A 450 2.416 -0.255 -2.634 1.00 44.23 H new ATOM 0 HD11 LEU A 450 4.074 -1.984 -1.989 1.00 13.52 H new ATOM 0 HD12 LEU A 450 4.668 -0.326 -1.737 1.00 13.52 H new ATOM 0 HD13 LEU A 450 4.125 -1.298 -0.348 1.00 13.52 H new ATOM 0 HD21 LEU A 450 1.713 -2.538 -1.793 1.00 42.14 H new ATOM 0 HD22 LEU A 450 1.547 -1.853 -0.159 1.00 42.14 H new ATOM 0 HD23 LEU A 450 0.482 -1.294 -1.471 1.00 42.14 H new ATOM 2192 N ASN A 451 4.654 2.113 -2.812 1.00 2.55 N ATOM 2193 CA ASN A 451 6.056 2.131 -3.263 1.00 32.12 C ATOM 2194 C ASN A 451 6.627 3.541 -3.078 1.00 44.42 C ATOM 2195 O ASN A 451 7.759 3.713 -2.619 1.00 12.34 O ATOM 2196 CB ASN A 451 6.142 1.691 -4.749 1.00 42.43 C ATOM 2197 CG ASN A 451 7.571 1.568 -5.287 1.00 4.10 C ATOM 2198 OD1 ASN A 451 8.208 0.534 -5.130 1.00 40.32 O ATOM 2199 ND2 ASN A 451 8.081 2.610 -5.931 1.00 12.54 N ATOM 0 H ASN A 451 3.982 2.064 -3.578 1.00 2.55 H new ATOM 0 HA ASN A 451 6.643 1.431 -2.668 1.00 32.12 H new ATOM 0 HB2 ASN A 451 5.640 0.730 -4.861 1.00 42.43 H new ATOM 0 HB3 ASN A 451 5.596 2.409 -5.361 1.00 42.43 H new ATOM 0 HD21 ASN A 451 9.027 2.562 -6.310 1.00 12.54 H new ATOM 0 HD22 ASN A 451 7.527 3.459 -6.047 1.00 12.54 H new ATOM 2206 N ASN A 452 5.800 4.540 -3.435 1.00 20.25 N ATOM 2207 CA ASN A 452 6.129 5.963 -3.281 1.00 42.24 C ATOM 2208 C ASN A 452 6.204 6.351 -1.795 1.00 14.21 C ATOM 2209 O ASN A 452 7.129 7.071 -1.385 1.00 22.21 O ATOM 2210 CB ASN A 452 5.092 6.833 -4.038 1.00 35.54 C ATOM 2211 CG ASN A 452 5.221 8.337 -3.750 1.00 64.42 C ATOM 2212 OD1 ASN A 452 4.409 8.846 -2.838 1.00 61.42 O flip ATOM 2213 ND2 ASN A 452 6.046 9.033 -4.346 1.00 60.32 N flip ATOM 0 H ASN A 452 4.878 4.378 -3.841 1.00 20.25 H new ATOM 0 HA ASN A 452 7.112 6.144 -3.716 1.00 42.24 H new ATOM 0 HB2 ASN A 452 5.204 6.666 -5.109 1.00 35.54 H new ATOM 0 HB3 ASN A 452 4.088 6.505 -3.767 1.00 35.54 H new ATOM 0 HD21 ASN A 452 6.659 8.612 -5.044 1.00 60.32 H new ATOM 0 HD22 ASN A 452 6.116 10.030 -4.141 1.00 60.32 H new ATOM 2220 N THR A 453 5.231 5.870 -0.996 1.00 62.21 N ATOM 2221 CA THR A 453 5.194 6.146 0.442 1.00 44.25 C ATOM 2222 C THR A 453 6.427 5.527 1.117 1.00 52.43 C ATOM 2223 O THR A 453 7.248 6.272 1.635 1.00 45.04 O ATOM 2224 CB THR A 453 3.881 5.650 1.126 1.00 40.21 C ATOM 2225 OG1 THR A 453 3.676 4.297 0.802 1.00 70.24 O ATOM 2226 CG2 THR A 453 2.636 6.455 0.707 1.00 63.12 C ATOM 0 H THR A 453 4.462 5.288 -1.329 1.00 62.21 H new ATOM 0 HA THR A 453 5.209 7.229 0.566 1.00 44.25 H new ATOM 0 HB THR A 453 4.010 5.789 2.199 1.00 40.21 H new ATOM 0 HG1 THR A 453 3.204 3.852 1.537 1.00 70.24 H new ATOM 0 HG21 THR A 453 1.758 6.059 1.218 1.00 63.12 H new ATOM 0 HG22 THR A 453 2.772 7.502 0.977 1.00 63.12 H new ATOM 0 HG23 THR A 453 2.496 6.374 -0.371 1.00 63.12 H new ATOM 2234 N SER A 454 6.594 4.182 1.019 1.00 44.44 N ATOM 2235 CA SER A 454 7.719 3.448 1.650 1.00 15.12 C ATOM 2236 C SER A 454 9.086 4.020 1.244 1.00 43.54 C ATOM 2237 O SER A 454 10.033 3.971 2.035 1.00 41.13 O ATOM 2238 CB SER A 454 7.666 1.947 1.299 1.00 41.30 C ATOM 2239 OG SER A 454 7.781 1.742 -0.100 1.00 2.04 O ATOM 0 H SER A 454 5.954 3.579 0.502 1.00 44.44 H new ATOM 0 HA SER A 454 7.605 3.573 2.727 1.00 15.12 H new ATOM 0 HB2 SER A 454 8.471 1.422 1.813 1.00 41.30 H new ATOM 0 HB3 SER A 454 6.728 1.520 1.656 1.00 41.30 H new ATOM 0 HG SER A 454 6.904 1.862 -0.521 1.00 2.04 H new ATOM 2245 N SER A 455 9.169 4.561 0.005 1.00 50.10 N ATOM 2246 CA SER A 455 10.361 5.270 -0.481 1.00 61.02 C ATOM 2247 C SER A 455 10.676 6.484 0.418 1.00 1.22 C ATOM 2248 O SER A 455 11.697 6.493 1.134 1.00 34.34 O ATOM 2249 CB SER A 455 10.181 5.714 -1.953 1.00 74.52 C ATOM 2250 OG SER A 455 11.327 6.400 -2.438 1.00 50.35 O ATOM 0 H SER A 455 8.412 4.515 -0.677 1.00 50.10 H new ATOM 0 HA SER A 455 11.204 4.581 -0.437 1.00 61.02 H new ATOM 0 HB2 SER A 455 9.989 4.840 -2.576 1.00 74.52 H new ATOM 0 HB3 SER A 455 9.308 6.361 -2.034 1.00 74.52 H new ATOM 0 HG SER A 455 11.180 6.664 -3.370 1.00 50.35 H new ATOM 2256 N TYR A 456 9.765 7.490 0.433 1.00 21.24 N ATOM 2257 CA TYR A 456 9.998 8.724 1.204 1.00 71.43 C ATOM 2258 C TYR A 456 9.933 8.476 2.722 1.00 41.11 C ATOM 2259 O TYR A 456 10.477 9.254 3.480 1.00 13.13 O ATOM 2260 CB TYR A 456 9.097 9.925 0.752 1.00 41.11 C ATOM 2261 CG TYR A 456 7.556 9.814 0.893 1.00 44.34 C ATOM 2262 CD1 TYR A 456 6.934 9.528 2.113 1.00 32.32 C ATOM 2263 CD2 TYR A 456 6.720 10.080 -0.199 1.00 34.14 C ATOM 2264 CE1 TYR A 456 5.559 9.500 2.233 1.00 63.45 C ATOM 2265 CE2 TYR A 456 5.344 10.044 -0.077 1.00 2.44 C ATOM 2266 CZ TYR A 456 4.768 9.759 1.140 1.00 62.13 C ATOM 2267 OH TYR A 456 3.394 9.739 1.264 1.00 74.25 O ATOM 0 H TYR A 456 8.879 7.467 -0.072 1.00 21.24 H new ATOM 0 HA TYR A 456 11.019 9.030 0.974 1.00 71.43 H new ATOM 0 HB2 TYR A 456 9.415 10.803 1.315 1.00 41.11 H new ATOM 0 HB3 TYR A 456 9.316 10.122 -0.297 1.00 41.11 H new ATOM 0 HD1 TYR A 456 7.544 9.324 2.981 1.00 32.32 H new ATOM 0 HD2 TYR A 456 7.160 10.318 -1.156 1.00 34.14 H new ATOM 0 HE1 TYR A 456 5.105 9.274 3.187 1.00 63.45 H new ATOM 0 HE2 TYR A 456 4.720 10.240 -0.937 1.00 2.44 H new ATOM 0 HH TYR A 456 2.984 9.944 0.398 1.00 74.25 H new ATOM 2277 N LEU A 457 9.269 7.379 3.142 1.00 54.41 N ATOM 2278 CA LEU A 457 9.117 7.007 4.563 1.00 21.12 C ATOM 2279 C LEU A 457 10.434 6.470 5.131 1.00 25.54 C ATOM 2280 O LEU A 457 10.788 6.805 6.250 1.00 43.32 O ATOM 2281 CB LEU A 457 7.994 5.939 4.769 1.00 74.32 C ATOM 2282 CG LEU A 457 6.517 6.421 4.660 1.00 12.00 C ATOM 2283 CD1 LEU A 457 5.535 5.242 4.884 1.00 63.14 C ATOM 2284 CD2 LEU A 457 6.254 7.572 5.639 1.00 53.34 C ATOM 0 H LEU A 457 8.821 6.724 2.501 1.00 54.41 H new ATOM 0 HA LEU A 457 8.833 7.914 5.096 1.00 21.12 H new ATOM 0 HB2 LEU A 457 8.145 5.146 4.036 1.00 74.32 H new ATOM 0 HB3 LEU A 457 8.131 5.492 5.754 1.00 74.32 H new ATOM 0 HG LEU A 457 6.347 6.799 3.652 1.00 12.00 H new ATOM 0 HD11 LEU A 457 4.509 5.602 4.803 1.00 63.14 H new ATOM 0 HD12 LEU A 457 5.710 4.474 4.130 1.00 63.14 H new ATOM 0 HD13 LEU A 457 5.694 4.819 5.876 1.00 63.14 H new ATOM 0 HD21 LEU A 457 5.217 7.896 5.549 1.00 53.34 H new ATOM 0 HD22 LEU A 457 6.441 7.233 6.658 1.00 53.34 H new ATOM 0 HD23 LEU A 457 6.916 8.406 5.407 1.00 53.34 H new ATOM 2296 N THR A 458 11.140 5.604 4.366 1.00 73.11 N ATOM 2297 CA THR A 458 12.417 5.022 4.830 1.00 3.13 C ATOM 2298 C THR A 458 13.519 6.081 4.855 1.00 43.23 C ATOM 2299 O THR A 458 14.356 6.092 5.761 1.00 51.31 O ATOM 2300 CB THR A 458 12.870 3.771 3.990 1.00 53.10 C ATOM 2301 OG1 THR A 458 14.054 3.193 4.560 1.00 73.00 O ATOM 2302 CG2 THR A 458 13.152 4.090 2.517 1.00 70.10 C ATOM 0 H THR A 458 10.850 5.298 3.437 1.00 73.11 H new ATOM 0 HA THR A 458 12.240 4.666 5.845 1.00 3.13 H new ATOM 0 HB THR A 458 12.033 3.074 4.025 1.00 53.10 H new ATOM 0 HG1 THR A 458 14.326 2.415 4.030 1.00 73.00 H new ATOM 0 HG21 THR A 458 13.459 3.181 2.000 1.00 70.10 H new ATOM 0 HG22 THR A 458 12.249 4.485 2.051 1.00 70.10 H new ATOM 0 HG23 THR A 458 13.948 4.831 2.451 1.00 70.10 H new ATOM 2310 N GLN A 459 13.494 6.980 3.861 1.00 53.33 N ATOM 2311 CA GLN A 459 14.451 8.086 3.769 1.00 32.32 C ATOM 2312 C GLN A 459 14.208 9.106 4.915 1.00 34.41 C ATOM 2313 O GLN A 459 15.154 9.504 5.616 1.00 12.32 O ATOM 2314 CB GLN A 459 14.325 8.737 2.369 1.00 31.01 C ATOM 2315 CG GLN A 459 14.609 7.766 1.193 1.00 12.22 C ATOM 2316 CD GLN A 459 14.199 8.283 -0.200 1.00 52.23 C ATOM 2317 OE1 GLN A 459 13.159 9.111 -0.282 1.00 3.32 O flip ATOM 2318 NE2 GLN A 459 14.810 7.928 -1.209 1.00 23.11 N flip ATOM 0 H GLN A 459 12.812 6.959 3.103 1.00 53.33 H new ATOM 0 HA GLN A 459 15.470 7.717 3.887 1.00 32.32 H new ATOM 0 HB2 GLN A 459 13.319 9.142 2.257 1.00 31.01 H new ATOM 0 HB3 GLN A 459 15.016 9.578 2.307 1.00 31.01 H new ATOM 0 HG2 GLN A 459 15.675 7.540 1.179 1.00 12.22 H new ATOM 0 HG3 GLN A 459 14.087 6.828 1.383 1.00 12.22 H new ATOM 0 HE21 GLN A 459 15.604 7.293 -1.127 1.00 23.11 H new ATOM 0 HE22 GLN A 459 14.522 8.269 -2.126 1.00 23.11 H new ATOM 2327 N GLN A 460 12.928 9.487 5.115 1.00 71.50 N ATOM 2328 CA GLN A 460 12.499 10.415 6.192 1.00 5.42 C ATOM 2329 C GLN A 460 12.740 9.796 7.582 1.00 74.22 C ATOM 2330 O GLN A 460 13.031 10.519 8.534 1.00 11.41 O ATOM 2331 CB GLN A 460 11.001 10.820 5.978 1.00 10.34 C ATOM 2332 CG GLN A 460 10.352 11.726 7.063 1.00 72.00 C ATOM 2333 CD GLN A 460 9.819 10.956 8.284 1.00 63.50 C ATOM 2334 OE1 GLN A 460 9.322 9.836 8.167 1.00 55.24 O ATOM 2335 NE2 GLN A 460 9.961 11.537 9.459 1.00 61.35 N ATOM 0 H GLN A 460 12.157 9.160 4.533 1.00 71.50 H new ATOM 0 HA GLN A 460 13.102 11.322 6.144 1.00 5.42 H new ATOM 0 HB2 GLN A 460 10.922 11.331 5.019 1.00 10.34 H new ATOM 0 HB3 GLN A 460 10.411 9.907 5.902 1.00 10.34 H new ATOM 0 HG2 GLN A 460 11.088 12.456 7.400 1.00 72.00 H new ATOM 0 HG3 GLN A 460 9.532 12.285 6.612 1.00 72.00 H new ATOM 0 HE21 GLN A 460 10.377 12.466 9.522 1.00 61.35 H new ATOM 0 HE22 GLN A 460 9.655 11.057 10.305 1.00 61.35 H new ATOM 2344 N PHE A 461 12.591 8.465 7.691 1.00 52.54 N ATOM 2345 CA PHE A 461 12.895 7.716 8.925 1.00 0.14 C ATOM 2346 C PHE A 461 14.385 7.826 9.267 1.00 53.51 C ATOM 2347 O PHE A 461 14.731 8.108 10.406 1.00 23.34 O ATOM 2348 CB PHE A 461 12.493 6.230 8.779 1.00 40.22 C ATOM 2349 CG PHE A 461 12.818 5.348 9.986 1.00 15.25 C ATOM 2350 CD1 PHE A 461 12.363 5.683 11.260 1.00 12.34 C ATOM 2351 CD2 PHE A 461 13.584 4.190 9.848 1.00 1.12 C ATOM 2352 CE1 PHE A 461 12.668 4.891 12.348 1.00 21.42 C ATOM 2353 CE2 PHE A 461 13.883 3.399 10.942 1.00 24.12 C ATOM 2354 CZ PHE A 461 13.426 3.752 12.190 1.00 3.12 C ATOM 0 H PHE A 461 12.257 7.877 6.927 1.00 52.54 H new ATOM 0 HA PHE A 461 12.314 8.154 9.737 1.00 0.14 H new ATOM 0 HB2 PHE A 461 11.421 6.177 8.588 1.00 40.22 H new ATOM 0 HB3 PHE A 461 12.994 5.819 7.903 1.00 40.22 H new ATOM 0 HD1 PHE A 461 11.765 6.572 11.397 1.00 12.34 H new ATOM 0 HD2 PHE A 461 13.949 3.907 8.872 1.00 1.12 H new ATOM 0 HE1 PHE A 461 12.310 5.166 13.329 1.00 21.42 H new ATOM 0 HE2 PHE A 461 14.475 2.505 10.816 1.00 24.12 H new ATOM 0 HZ PHE A 461 13.661 3.136 13.046 1.00 3.12 H new ATOM 2364 N THR A 462 15.250 7.612 8.257 1.00 53.03 N ATOM 2365 CA THR A 462 16.711 7.731 8.413 1.00 74.13 C ATOM 2366 C THR A 462 17.098 9.175 8.826 1.00 64.24 C ATOM 2367 O THR A 462 18.058 9.376 9.564 1.00 53.52 O ATOM 2368 CB THR A 462 17.449 7.308 7.093 1.00 71.35 C ATOM 2369 OG1 THR A 462 16.985 6.011 6.683 1.00 52.14 O ATOM 2370 CG2 THR A 462 18.981 7.245 7.256 1.00 73.35 C ATOM 0 H THR A 462 14.957 7.353 7.315 1.00 53.03 H new ATOM 0 HA THR A 462 17.028 7.054 9.206 1.00 74.13 H new ATOM 0 HB THR A 462 17.222 8.069 6.346 1.00 71.35 H new ATOM 0 HG1 THR A 462 16.083 6.090 6.309 1.00 52.14 H new ATOM 0 HG21 THR A 462 19.436 6.947 6.311 1.00 73.35 H new ATOM 0 HG22 THR A 462 19.357 8.226 7.546 1.00 73.35 H new ATOM 0 HG23 THR A 462 19.235 6.517 8.026 1.00 73.35 H new ATOM 2378 N ALA A 463 16.304 10.162 8.369 1.00 25.40 N ATOM 2379 CA ALA A 463 16.501 11.584 8.720 1.00 41.30 C ATOM 2380 C ALA A 463 16.091 11.878 10.185 1.00 21.42 C ATOM 2381 O ALA A 463 16.905 12.355 10.988 1.00 60.33 O ATOM 2382 CB ALA A 463 15.683 12.462 7.755 1.00 40.30 C ATOM 0 H ALA A 463 15.511 9.999 7.749 1.00 25.40 H new ATOM 0 HA ALA A 463 17.562 11.815 8.627 1.00 41.30 H new ATOM 0 HB1 ALA A 463 15.825 13.512 8.010 1.00 40.30 H new ATOM 0 HB2 ALA A 463 16.018 12.288 6.732 1.00 40.30 H new ATOM 0 HB3 ALA A 463 14.626 12.208 7.839 1.00 40.30 H new ATOM 2388 N MET A 464 14.840 11.516 10.532 1.00 51.24 N ATOM 2389 CA MET A 464 14.224 11.818 11.850 1.00 71.12 C ATOM 2390 C MET A 464 14.930 11.046 12.978 1.00 43.44 C ATOM 2391 O MET A 464 15.035 11.532 14.110 1.00 74.01 O ATOM 2392 CB MET A 464 12.697 11.484 11.824 1.00 32.40 C ATOM 2393 CG MET A 464 11.964 11.640 13.173 1.00 12.33 C ATOM 2394 SD MET A 464 10.182 11.346 13.067 1.00 33.23 S ATOM 2395 CE MET A 464 9.578 12.899 12.405 1.00 3.52 C ATOM 0 H MET A 464 14.220 11.002 9.905 1.00 51.24 H new ATOM 0 HA MET A 464 14.344 12.883 12.048 1.00 71.12 H new ATOM 0 HB2 MET A 464 12.213 12.129 11.090 1.00 32.40 H new ATOM 0 HB3 MET A 464 12.572 10.458 11.478 1.00 32.40 H new ATOM 0 HG2 MET A 464 12.396 10.946 13.894 1.00 12.33 H new ATOM 0 HG3 MET A 464 12.136 12.646 13.556 1.00 12.33 H new ATOM 0 HE1 MET A 464 8.672 12.720 11.826 1.00 3.52 H new ATOM 0 HE2 MET A 464 9.356 13.582 13.225 1.00 3.52 H new ATOM 0 HE3 MET A 464 10.339 13.340 11.761 1.00 3.52 H new ATOM 2405 N ASN A 465 15.418 9.848 12.641 1.00 53.25 N ATOM 2406 CA ASN A 465 16.173 8.989 13.565 1.00 65.25 C ATOM 2407 C ASN A 465 17.623 9.524 13.678 1.00 63.35 C ATOM 2408 O ASN A 465 18.017 10.008 14.741 1.00 54.11 O ATOM 2409 CB ASN A 465 16.117 7.508 13.074 1.00 31.43 C ATOM 2410 CG ASN A 465 16.625 6.457 14.076 1.00 14.40 C ATOM 2411 OD1 ASN A 465 17.488 6.719 14.912 1.00 50.33 O ATOM 2412 ND2 ASN A 465 16.112 5.240 13.976 1.00 50.13 N ATOM 0 H ASN A 465 15.300 9.442 11.713 1.00 53.25 H new ATOM 0 HA ASN A 465 15.731 9.011 14.561 1.00 65.25 H new ATOM 0 HB2 ASN A 465 15.086 7.268 12.815 1.00 31.43 H new ATOM 0 HB3 ASN A 465 16.703 7.425 12.159 1.00 31.43 H new ATOM 0 HD21 ASN A 465 16.432 4.499 14.600 1.00 50.13 H new ATOM 0 HD22 ASN A 465 15.397 5.044 13.276 1.00 50.13 H new ATOM 2419 N LYS A 466 18.404 9.460 12.571 1.00 22.14 N ATOM 2420 CA LYS A 466 19.803 9.958 12.543 1.00 42.22 C ATOM 2421 C LYS A 466 20.023 11.022 11.419 1.00 12.34 C ATOM 2422 O LYS A 466 20.524 10.701 10.343 1.00 14.31 O ATOM 2423 CB LYS A 466 20.827 8.752 12.453 1.00 73.24 C ATOM 2424 CG LYS A 466 20.751 7.829 11.189 1.00 53.11 C ATOM 2425 CD LYS A 466 19.552 6.844 11.168 1.00 24.45 C ATOM 2426 CE LYS A 466 19.668 5.724 12.216 1.00 71.53 C ATOM 2427 NZ LYS A 466 20.839 4.837 11.973 1.00 10.43 N ATOM 0 H LYS A 466 18.088 9.068 11.684 1.00 22.14 H new ATOM 0 HA LYS A 466 19.996 10.474 13.483 1.00 42.22 H new ATOM 0 HB2 LYS A 466 21.835 9.162 12.509 1.00 73.24 H new ATOM 0 HB3 LYS A 466 20.688 8.126 13.335 1.00 73.24 H new ATOM 0 HG2 LYS A 466 20.701 8.458 10.300 1.00 53.11 H new ATOM 0 HG3 LYS A 466 21.675 7.255 11.121 1.00 53.11 H new ATOM 0 HD2 LYS A 466 18.631 7.400 11.341 1.00 24.45 H new ATOM 0 HD3 LYS A 466 19.474 6.398 10.176 1.00 24.45 H new ATOM 0 HE2 LYS A 466 19.751 6.166 13.209 1.00 71.53 H new ATOM 0 HE3 LYS A 466 18.756 5.127 12.208 1.00 71.53 H new ATOM 0 HZ1 LYS A 466 20.780 4.006 12.596 1.00 10.43 H new ATOM 0 HZ2 LYS A 466 20.839 4.526 10.980 1.00 10.43 H new ATOM 0 HZ3 LYS A 466 21.717 5.358 12.173 1.00 10.43 H new ATOM 2441 N SER A 467 19.569 12.276 11.656 1.00 21.14 N ATOM 2442 CA SER A 467 19.945 13.457 10.831 1.00 64.02 C ATOM 2443 C SER A 467 21.486 13.544 10.595 1.00 31.31 C ATOM 2444 O SER A 467 22.232 13.877 11.542 1.00 70.31 O ATOM 2445 CB SER A 467 19.426 14.759 11.509 1.00 42.34 C ATOM 2446 OG SER A 467 18.011 14.777 11.612 1.00 43.42 O ATOM 2447 OXT SER A 467 21.943 13.278 9.465 1.00 38.19 O ATOM 0 H SER A 467 18.933 12.501 12.422 1.00 21.14 H new ATOM 0 HA SER A 467 19.477 13.342 9.853 1.00 64.02 H new ATOM 0 HB2 SER A 467 19.863 14.849 12.503 1.00 42.34 H new ATOM 0 HB3 SER A 467 19.759 15.624 10.935 1.00 42.34 H new ATOM 0 HG SER A 467 17.659 13.878 11.442 1.00 43.42 H new TER 2453 SER A 467