USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1104 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 465 ASN : amide:sc= -0.351 K(o=-0.35,f=-2.2!) USER MOD Set 1.2: A 466 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 2.1: A 52 THR OG1 : rot 58:sc= 0 USER MOD Set 2.2: A 460 GLN :FLIP amide:sc= -0.135 F(o=-0.97,f=-0.14) USER MOD Set 3.1: A 437 LYS NZ :NH3+ 175:sc= 0.308 (180deg=-0.104) USER MOD Set 3.2: A 441 THR OG1 : rot 74:sc= 0.432 USER MOD Set 4.1: A 79 LYS NZ :NH3+ 169:sc= -0.132 (180deg=-0.117) USER MOD Set 4.2: A 451 ASN : amide:sc= -0.164 K(o=-0.3,f=-3.6) USER MOD Set 5.1: A 18 SER OG : rot -12:sc= 0.426 USER MOD Set 5.2: A 40 TYR OH : rot 1:sc= 0.648 USER MOD Set 5.3: A 71 THR OG1 : rot -141:sc= 0.415 USER MOD Set 5.4: A 74 ASN :FLIP amide:sc= 0.219 F(o=0.53,f=1.7) USER MOD Set 6.1: A 2 THR OG1 : rot -27:sc= 0.118 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -132:sc= 0.451 USER MOD Single : A 9 ASN : amide:sc= 0.558 K(o=0.56,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 20 SER OG : rot 78:sc= 1.11 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.01) USER MOD Single : A 36 GLN : amide:sc=-0.00306 K(o=-0.0031,f=-0.83) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 43 SER OG : rot 75:sc= 1.27 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -128:sc= -0.407 (180deg=-3.24!) USER MOD Single : A 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0668) USER MOD Single : A 51 GLN : amide:sc= -0.0205 X(o=-0.021,f=0.29) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 63 MET CE :methyl 158:sc= -2.52! (180deg=-2.93!) 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=-0.00434 F(o=-0.78,f=-0.0043) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.261 X(o=-0.26,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= -0.0093 X(o=-0.0093,f=-0.0093) USER MOD Single : A 432 THR OG1 : rot -3:sc= 0.00276 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.27) USER MOD Single : A 442 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -120:sc= -0.0723 (180deg=-2.34!) USER MOD Single : A 447 MET CE :methyl -154:sc= -2.11 (180deg=-3.63!) USER MOD Single : A 448 SER OG : rot 180:sc= -0.0243 USER MOD Single : A 449 LYS NZ :NH3+ -173:sc= 0.638 (180deg=0.596) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 453 THR OG1 : rot 152:sc= -1.29 USER MOD Single : A 454 SER OG : rot -90:sc= 0.976 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc=-0.00231 F(o=-1.6,f=-0.0023) USER MOD Single : A 462 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 464 MET CE :methyl 170:sc= -0.0325 (180deg=-0.208) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -0.935 21.515 17.742 1.00 60.20 N ATOM 21 CA THR A 2 -2.029 20.919 16.937 1.00 5.14 C ATOM 22 C THR A 2 -1.513 19.943 15.852 1.00 73.43 C ATOM 23 O THR A 2 -1.947 18.783 15.785 1.00 53.13 O ATOM 24 CB THR A 2 -2.888 22.048 16.273 1.00 50.01 C ATOM 25 OG1 THR A 2 -2.034 22.932 15.527 1.00 65.34 O ATOM 26 CG2 THR A 2 -3.680 22.862 17.317 1.00 41.41 C ATOM 0 HA THR A 2 -2.645 20.339 17.624 1.00 5.14 H new ATOM 0 HB THR A 2 -3.606 21.567 15.609 1.00 50.01 H new ATOM 0 HG1 THR A 2 -1.134 22.921 15.914 1.00 65.34 H new ATOM 0 HG21 THR A 2 -4.261 23.634 16.812 1.00 41.41 H new ATOM 0 HG22 THR A 2 -4.352 22.199 17.861 1.00 41.41 H new ATOM 0 HG23 THR A 2 -2.987 23.329 18.016 1.00 41.41 H new ATOM 34 N SER A 3 -0.560 20.422 15.038 1.00 55.30 N ATOM 35 CA SER A 3 0.009 19.648 13.927 1.00 33.21 C ATOM 36 C SER A 3 0.839 18.448 14.451 1.00 62.23 C ATOM 37 O SER A 3 0.952 17.417 13.779 1.00 14.32 O ATOM 38 CB SER A 3 0.854 20.575 13.031 1.00 15.11 C ATOM 39 OG SER A 3 0.092 21.690 12.589 1.00 51.43 O ATOM 0 H SER A 3 -0.163 21.357 15.132 1.00 55.30 H new ATOM 0 HA SER A 3 -0.803 19.235 13.329 1.00 33.21 H new ATOM 0 HB2 SER A 3 1.727 20.923 13.583 1.00 15.11 H new ATOM 0 HB3 SER A 3 1.222 20.017 12.170 1.00 15.11 H new ATOM 0 HG SER A 3 0.650 22.264 12.024 1.00 51.43 H new ATOM 45 N THR A 4 1.372 18.590 15.679 1.00 75.42 N ATOM 46 CA THR A 4 2.177 17.553 16.336 1.00 2.34 C ATOM 47 C THR A 4 1.292 16.431 16.924 1.00 35.32 C ATOM 48 O THR A 4 1.657 15.262 16.840 1.00 31.04 O ATOM 49 CB THR A 4 3.075 18.173 17.452 1.00 11.22 C ATOM 50 OG1 THR A 4 3.894 19.218 16.889 1.00 62.11 O ATOM 51 CG2 THR A 4 3.972 17.123 18.139 1.00 63.32 C ATOM 0 H THR A 4 1.254 19.432 16.242 1.00 75.42 H new ATOM 0 HA THR A 4 2.818 17.109 15.575 1.00 2.34 H new ATOM 0 HB THR A 4 2.412 18.581 18.215 1.00 11.22 H new ATOM 0 HG1 THR A 4 4.823 19.094 17.174 1.00 62.11 H new ATOM 0 HG21 THR A 4 4.576 17.607 18.907 1.00 63.32 H new ATOM 0 HG22 THR A 4 3.348 16.356 18.598 1.00 63.32 H new ATOM 0 HG23 THR A 4 4.627 16.663 17.399 1.00 63.32 H new ATOM 59 N VAL A 5 0.126 16.778 17.511 1.00 53.32 N ATOM 60 CA VAL A 5 -0.757 15.765 18.135 1.00 53.14 C ATOM 61 C VAL A 5 -1.434 14.893 17.056 1.00 61.41 C ATOM 62 O VAL A 5 -1.522 13.670 17.215 1.00 40.22 O ATOM 63 CB VAL A 5 -1.818 16.388 19.127 1.00 22.15 C ATOM 64 CG1 VAL A 5 -2.784 17.361 18.430 1.00 21.41 C ATOM 65 CG2 VAL A 5 -2.596 15.285 19.891 1.00 41.43 C ATOM 0 H VAL A 5 -0.223 17.735 17.567 1.00 53.32 H new ATOM 0 HA VAL A 5 -0.119 15.128 18.747 1.00 53.14 H new ATOM 0 HB VAL A 5 -1.252 16.972 19.853 1.00 22.15 H new ATOM 0 HG11 VAL A 5 -3.490 17.758 19.160 1.00 21.41 H new ATOM 0 HG12 VAL A 5 -2.218 18.182 17.989 1.00 21.41 H new ATOM 0 HG13 VAL A 5 -3.329 16.834 17.647 1.00 21.41 H new ATOM 0 HG21 VAL A 5 -3.317 15.748 20.564 1.00 41.43 H new ATOM 0 HG22 VAL A 5 -3.122 14.650 19.178 1.00 41.43 H new ATOM 0 HG23 VAL A 5 -1.897 14.680 20.469 1.00 41.43 H new ATOM 75 N GLU A 6 -1.864 15.519 15.933 1.00 72.21 N ATOM 76 CA GLU A 6 -2.430 14.767 14.788 1.00 34.14 C ATOM 77 C GLU A 6 -1.347 13.900 14.122 1.00 72.34 C ATOM 78 O GLU A 6 -1.625 12.787 13.705 1.00 2.31 O ATOM 79 CB GLU A 6 -3.113 15.716 13.773 1.00 2.04 C ATOM 80 CG GLU A 6 -2.204 16.807 13.188 1.00 11.24 C ATOM 81 CD GLU A 6 -2.956 17.847 12.343 1.00 43.14 C ATOM 82 OE1 GLU A 6 -3.683 18.669 12.938 1.00 61.54 O ATOM 83 OE2 GLU A 6 -2.814 17.854 11.095 1.00 11.13 O ATOM 0 H GLU A 6 -1.830 16.529 15.797 1.00 72.21 H new ATOM 0 HA GLU A 6 -3.203 14.099 15.167 1.00 34.14 H new ATOM 0 HB2 GLU A 6 -3.512 15.119 12.953 1.00 2.04 H new ATOM 0 HB3 GLU A 6 -3.962 16.195 14.261 1.00 2.04 H new ATOM 0 HG2 GLU A 6 -1.691 17.316 14.004 1.00 11.24 H new ATOM 0 HG3 GLU A 6 -1.437 16.337 12.573 1.00 11.24 H new ATOM 90 N PHE A 7 -0.113 14.431 14.044 1.00 33.45 N ATOM 91 CA PHE A 7 1.089 13.662 13.661 1.00 22.23 C ATOM 92 C PHE A 7 1.196 12.342 14.495 1.00 22.11 C ATOM 93 O PHE A 7 1.233 11.256 13.916 1.00 15.22 O ATOM 94 CB PHE A 7 2.312 14.606 13.834 1.00 64.12 C ATOM 95 CG PHE A 7 3.705 13.997 13.750 1.00 52.41 C ATOM 96 CD1 PHE A 7 4.402 13.939 12.545 1.00 1.14 C ATOM 97 CD2 PHE A 7 4.339 13.530 14.901 1.00 51.34 C ATOM 98 CE1 PHE A 7 5.685 13.433 12.504 1.00 44.44 C ATOM 99 CE2 PHE A 7 5.611 13.019 14.846 1.00 64.31 C ATOM 100 CZ PHE A 7 6.284 12.975 13.649 1.00 75.43 C ATOM 0 H PHE A 7 0.081 15.412 14.246 1.00 33.45 H new ATOM 0 HA PHE A 7 1.041 13.335 12.622 1.00 22.23 H new ATOM 0 HB2 PHE A 7 2.242 15.385 13.075 1.00 64.12 H new ATOM 0 HB3 PHE A 7 2.220 15.096 14.803 1.00 64.12 H new ATOM 0 HD1 PHE A 7 3.935 14.292 11.637 1.00 1.14 H new ATOM 0 HD2 PHE A 7 3.822 13.571 15.848 1.00 51.34 H new ATOM 0 HE1 PHE A 7 6.219 13.398 11.566 1.00 44.44 H new ATOM 0 HE2 PHE A 7 6.084 12.651 15.745 1.00 64.31 H new ATOM 0 HZ PHE A 7 7.288 12.578 13.610 1.00 75.43 H new ATOM 110 N ILE A 8 1.144 12.465 15.846 1.00 60.43 N ATOM 111 CA ILE A 8 1.253 11.319 16.794 1.00 1.34 C ATOM 112 C ILE A 8 0.172 10.245 16.528 1.00 34.31 C ATOM 113 O ILE A 8 0.491 9.092 16.192 1.00 55.32 O ATOM 114 CB ILE A 8 1.118 11.809 18.296 1.00 12.35 C ATOM 115 CG1 ILE A 8 2.260 12.797 18.666 1.00 64.20 C ATOM 116 CG2 ILE A 8 1.076 10.619 19.294 1.00 14.41 C ATOM 117 CD1 ILE A 8 2.090 13.496 20.006 1.00 75.43 C ATOM 0 H ILE A 8 1.025 13.364 16.313 1.00 60.43 H new ATOM 0 HA ILE A 8 2.237 10.879 16.634 1.00 1.34 H new ATOM 0 HB ILE A 8 0.167 12.336 18.376 1.00 12.35 H new ATOM 0 HG12 ILE A 8 3.204 12.252 18.673 1.00 64.20 H new ATOM 0 HG13 ILE A 8 2.334 13.553 17.885 1.00 64.20 H new ATOM 0 HG21 ILE A 8 0.983 11.000 20.311 1.00 14.41 H new ATOM 0 HG22 ILE A 8 0.221 9.982 19.065 1.00 14.41 H new ATOM 0 HG23 ILE A 8 1.994 10.038 19.207 1.00 14.41 H new ATOM 0 HD11 ILE A 8 2.934 14.164 20.177 1.00 75.43 H new ATOM 0 HD12 ILE A 8 1.165 14.073 20.001 1.00 75.43 H new ATOM 0 HD13 ILE A 8 2.049 12.752 20.802 1.00 75.43 H new ATOM 129 N ASN A 9 -1.104 10.659 16.680 1.00 41.30 N ATOM 130 CA ASN A 9 -2.268 9.755 16.630 1.00 13.13 C ATOM 131 C ASN A 9 -2.400 9.055 15.267 1.00 62.21 C ATOM 132 O ASN A 9 -2.736 7.869 15.215 1.00 71.23 O ATOM 133 CB ASN A 9 -3.579 10.517 16.983 1.00 42.33 C ATOM 134 CG ASN A 9 -3.673 10.874 18.472 1.00 32.12 C ATOM 135 OD1 ASN A 9 -4.115 10.062 19.283 1.00 53.31 O ATOM 136 ND2 ASN A 9 -3.297 12.086 18.839 1.00 11.14 N ATOM 0 H ASN A 9 -1.354 11.634 16.841 1.00 41.30 H new ATOM 0 HA ASN A 9 -2.102 8.980 17.379 1.00 13.13 H new ATOM 0 HB2 ASN A 9 -3.635 11.430 16.390 1.00 42.33 H new ATOM 0 HB3 ASN A 9 -4.437 9.904 16.706 1.00 42.33 H new ATOM 0 HD21 ASN A 9 -3.370 12.368 19.816 1.00 11.14 H new ATOM 0 HD22 ASN A 9 -2.934 12.739 18.145 1.00 11.14 H new ATOM 143 N ARG A 10 -2.102 9.787 14.175 1.00 14.01 N ATOM 144 CA ARG A 10 -2.221 9.241 12.809 1.00 5.33 C ATOM 145 C ARG A 10 -1.107 8.220 12.523 1.00 11.14 C ATOM 146 O ARG A 10 -1.383 7.216 11.890 1.00 21.13 O ATOM 147 CB ARG A 10 -2.251 10.365 11.735 1.00 44.34 C ATOM 148 CG ARG A 10 -3.504 11.268 11.820 1.00 51.31 C ATOM 149 CD ARG A 10 -3.520 12.383 10.759 1.00 12.22 C ATOM 150 NE ARG A 10 -2.318 13.241 10.812 1.00 74.01 N ATOM 151 CZ ARG A 10 -2.234 14.506 10.347 1.00 64.33 C ATOM 152 NH1 ARG A 10 -3.282 15.110 9.796 1.00 53.43 N ATOM 153 NH2 ARG A 10 -1.080 15.156 10.426 1.00 33.42 N ATOM 0 H ARG A 10 -1.779 10.754 14.212 1.00 14.01 H new ATOM 0 HA ARG A 10 -3.176 8.719 12.750 1.00 5.33 H new ATOM 0 HB2 ARG A 10 -1.360 10.983 11.843 1.00 44.34 H new ATOM 0 HB3 ARG A 10 -2.207 9.911 10.745 1.00 44.34 H new ATOM 0 HG2 ARG A 10 -4.396 10.652 11.705 1.00 51.31 H new ATOM 0 HG3 ARG A 10 -3.553 11.718 12.812 1.00 51.31 H new ATOM 0 HD2 ARG A 10 -3.597 11.935 9.768 1.00 12.22 H new ATOM 0 HD3 ARG A 10 -4.408 13.000 10.900 1.00 12.22 H new ATOM 0 HE ARG A 10 -1.480 12.844 11.236 1.00 74.01 H new ATOM 0 HH11 ARG A 10 -4.172 14.617 9.718 1.00 53.43 H new ATOM 0 HH12 ARG A 10 -3.196 16.066 9.451 1.00 53.43 H new ATOM 0 HH21 ARG A 10 -0.265 14.700 10.836 1.00 33.42 H new ATOM 0 HH22 ARG A 10 -1.008 16.112 10.077 1.00 33.42 H new ATOM 167 N TRP A 11 0.137 8.458 13.024 1.00 71.33 N ATOM 168 CA TRP A 11 1.249 7.470 12.886 1.00 52.10 C ATOM 169 C TRP A 11 0.911 6.151 13.598 1.00 44.12 C ATOM 170 O TRP A 11 1.226 5.064 13.085 1.00 2.34 O ATOM 171 CB TRP A 11 2.610 8.017 13.412 1.00 23.42 C ATOM 172 CG TRP A 11 3.342 8.910 12.431 1.00 55.33 C ATOM 173 CD1 TRP A 11 3.689 10.213 12.602 1.00 54.12 C ATOM 174 CD2 TRP A 11 3.824 8.547 11.123 1.00 54.34 C ATOM 175 NE1 TRP A 11 4.339 10.682 11.499 1.00 54.34 N ATOM 176 CE2 TRP A 11 4.440 9.689 10.581 1.00 11.33 C ATOM 177 CE3 TRP A 11 3.803 7.376 10.360 1.00 71.34 C ATOM 178 CZ2 TRP A 11 5.028 9.698 9.328 1.00 33.51 C ATOM 179 CZ3 TRP A 11 4.376 7.388 9.103 1.00 42.42 C ATOM 180 CH2 TRP A 11 4.983 8.548 8.604 1.00 42.42 C ATOM 0 H TRP A 11 0.394 9.311 13.520 1.00 71.33 H new ATOM 0 HA TRP A 11 1.358 7.286 11.817 1.00 52.10 H new ATOM 0 HB2 TRP A 11 2.433 8.575 14.332 1.00 23.42 H new ATOM 0 HB3 TRP A 11 3.253 7.175 13.668 1.00 23.42 H new ATOM 0 HD1 TRP A 11 3.479 10.795 13.487 1.00 54.12 H new ATOM 0 HE1 TRP A 11 4.694 11.631 11.383 1.00 54.34 H new ATOM 0 HE3 TRP A 11 3.346 6.477 10.747 1.00 71.34 H new ATOM 0 HZ2 TRP A 11 5.505 10.586 8.940 1.00 33.51 H new ATOM 0 HZ3 TRP A 11 4.356 6.493 8.498 1.00 42.42 H new ATOM 0 HH2 TRP A 11 5.426 8.528 7.619 1.00 42.42 H new ATOM 191 N GLN A 12 0.276 6.267 14.782 1.00 33.53 N ATOM 192 CA GLN A 12 -0.265 5.112 15.514 1.00 41.23 C ATOM 193 C GLN A 12 -1.238 4.320 14.622 1.00 62.32 C ATOM 194 O GLN A 12 -1.100 3.100 14.472 1.00 42.22 O ATOM 195 CB GLN A 12 -0.970 5.569 16.817 1.00 62.42 C ATOM 196 CG GLN A 12 -1.578 4.417 17.644 1.00 73.11 C ATOM 197 CD GLN A 12 -2.285 4.874 18.921 1.00 73.23 C ATOM 198 OE1 GLN A 12 -2.825 5.977 18.991 1.00 74.45 O ATOM 199 NE2 GLN A 12 -2.307 4.021 19.930 1.00 2.21 N ATOM 0 H GLN A 12 0.126 7.160 15.252 1.00 33.53 H new ATOM 0 HA GLN A 12 0.564 4.459 15.787 1.00 41.23 H new ATOM 0 HB2 GLN A 12 -0.252 6.106 17.436 1.00 62.42 H new ATOM 0 HB3 GLN A 12 -1.761 6.274 16.561 1.00 62.42 H new ATOM 0 HG2 GLN A 12 -2.289 3.873 17.022 1.00 73.11 H new ATOM 0 HG3 GLN A 12 -0.786 3.717 17.910 1.00 73.11 H new ATOM 0 HE21 GLN A 12 -1.850 3.114 19.841 1.00 2.21 H new ATOM 0 HE22 GLN A 12 -2.781 4.270 20.798 1.00 2.21 H new ATOM 208 N ARG A 13 -2.184 5.051 13.987 1.00 44.24 N ATOM 209 CA ARG A 13 -3.179 4.455 13.078 1.00 54.14 C ATOM 210 C ARG A 13 -2.500 3.792 11.859 1.00 44.14 C ATOM 211 O ARG A 13 -2.913 2.727 11.442 1.00 30.54 O ATOM 212 CB ARG A 13 -4.204 5.512 12.589 1.00 23.42 C ATOM 213 CG ARG A 13 -5.018 6.210 13.700 1.00 32.32 C ATOM 214 CD ARG A 13 -5.802 5.238 14.602 1.00 22.14 C ATOM 215 NE ARG A 13 -6.618 5.960 15.598 1.00 42.51 N ATOM 216 CZ ARG A 13 -6.419 5.962 16.927 1.00 61.50 C ATOM 217 NH1 ARG A 13 -5.420 5.271 17.477 1.00 72.10 N ATOM 218 NH2 ARG A 13 -7.238 6.663 17.703 1.00 41.44 N ATOM 0 H ARG A 13 -2.275 6.061 14.092 1.00 44.24 H new ATOM 0 HA ARG A 13 -3.708 3.690 13.646 1.00 54.14 H new ATOM 0 HB2 ARG A 13 -3.671 6.274 12.020 1.00 23.42 H new ATOM 0 HB3 ARG A 13 -4.899 5.029 11.902 1.00 23.42 H new ATOM 0 HG2 ARG A 13 -4.340 6.798 14.319 1.00 32.32 H new ATOM 0 HG3 ARG A 13 -5.717 6.908 13.241 1.00 32.32 H new ATOM 0 HD2 ARG A 13 -6.448 4.611 13.987 1.00 22.14 H new ATOM 0 HD3 ARG A 13 -5.106 4.574 15.114 1.00 22.14 H new ATOM 0 HE ARG A 13 -7.404 6.507 15.246 1.00 42.51 H new ATOM 0 HH11 ARG A 13 -4.790 4.728 16.887 1.00 72.10 H new ATOM 0 HH12 ARG A 13 -5.286 5.286 18.488 1.00 72.10 H new ATOM 0 HH21 ARG A 13 -8.006 7.191 17.288 1.00 41.44 H new ATOM 0 HH22 ARG A 13 -7.099 6.674 18.713 1.00 41.44 H new ATOM 232 N ILE A 14 -1.438 4.433 11.331 1.00 70.20 N ATOM 233 CA ILE A 14 -0.709 3.964 10.128 1.00 12.00 C ATOM 234 C ILE A 14 -0.093 2.562 10.367 1.00 64.33 C ATOM 235 O ILE A 14 -0.262 1.670 9.536 1.00 53.31 O ATOM 236 CB ILE A 14 0.388 5.031 9.695 1.00 21.55 C ATOM 237 CG1 ILE A 14 -0.296 6.328 9.158 1.00 34.52 C ATOM 238 CG2 ILE A 14 1.376 4.479 8.645 1.00 62.32 C ATOM 239 CD1 ILE A 14 0.635 7.504 8.900 1.00 12.43 C ATOM 0 H ILE A 14 -1.058 5.293 11.726 1.00 70.20 H new ATOM 0 HA ILE A 14 -1.416 3.866 9.305 1.00 12.00 H new ATOM 0 HB ILE A 14 0.967 5.266 10.588 1.00 21.55 H new ATOM 0 HG12 ILE A 14 -0.813 6.087 8.229 1.00 34.52 H new ATOM 0 HG13 ILE A 14 -1.056 6.640 9.874 1.00 34.52 H new ATOM 0 HG21 ILE A 14 2.102 5.250 8.387 1.00 62.32 H new ATOM 0 HG22 ILE A 14 1.897 3.614 9.055 1.00 62.32 H new ATOM 0 HG23 ILE A 14 0.828 4.183 7.750 1.00 62.32 H new ATOM 0 HD11 ILE A 14 0.057 8.351 8.530 1.00 12.43 H new ATOM 0 HD12 ILE A 14 1.134 7.783 9.828 1.00 12.43 H new ATOM 0 HD13 ILE A 14 1.381 7.221 8.157 1.00 12.43 H new ATOM 251 N ALA A 15 0.556 2.369 11.536 1.00 21.53 N ATOM 252 CA ALA A 15 1.165 1.069 11.906 1.00 71.51 C ATOM 253 C ALA A 15 0.096 -0.013 12.194 1.00 63.12 C ATOM 254 O ALA A 15 0.296 -1.198 11.875 1.00 34.34 O ATOM 255 CB ALA A 15 2.095 1.240 13.109 1.00 21.53 C ATOM 0 H ALA A 15 0.673 3.097 12.241 1.00 21.53 H new ATOM 0 HA ALA A 15 1.749 0.726 11.052 1.00 71.51 H new ATOM 0 HB1 ALA A 15 2.535 0.277 13.369 1.00 21.53 H new ATOM 0 HB2 ALA A 15 2.888 1.945 12.859 1.00 21.53 H new ATOM 0 HB3 ALA A 15 1.526 1.620 13.958 1.00 21.53 H new ATOM 261 N LEU A 16 -1.028 0.409 12.810 1.00 10.42 N ATOM 262 CA LEU A 16 -2.187 -0.473 13.081 1.00 34.33 C ATOM 263 C LEU A 16 -2.797 -1.006 11.770 1.00 72.13 C ATOM 264 O LEU A 16 -2.997 -2.217 11.612 1.00 34.32 O ATOM 265 CB LEU A 16 -3.260 0.298 13.907 1.00 52.22 C ATOM 266 CG LEU A 16 -2.883 0.593 15.394 1.00 20.44 C ATOM 267 CD1 LEU A 16 -3.875 1.582 16.043 1.00 53.34 C ATOM 268 CD2 LEU A 16 -2.797 -0.720 16.202 1.00 14.02 C ATOM 0 H LEU A 16 -1.159 1.367 13.133 1.00 10.42 H new ATOM 0 HA LEU A 16 -1.840 -1.329 13.660 1.00 34.33 H new ATOM 0 HB2 LEU A 16 -3.465 1.245 13.408 1.00 52.22 H new ATOM 0 HB3 LEU A 16 -4.186 -0.277 13.893 1.00 52.22 H new ATOM 0 HG LEU A 16 -1.901 1.066 15.404 1.00 20.44 H new ATOM 0 HD11 LEU A 16 -3.583 1.765 17.077 1.00 53.34 H new ATOM 0 HD12 LEU A 16 -3.865 2.522 15.492 1.00 53.34 H new ATOM 0 HD13 LEU A 16 -4.879 1.158 16.019 1.00 53.34 H new ATOM 0 HD21 LEU A 16 -2.533 -0.495 17.235 1.00 14.02 H new ATOM 0 HD22 LEU A 16 -3.761 -1.227 16.176 1.00 14.02 H new ATOM 0 HD23 LEU A 16 -2.035 -1.366 15.766 1.00 14.02 H new ATOM 280 N LEU A 17 -3.036 -0.076 10.828 1.00 61.42 N ATOM 281 CA LEU A 17 -3.675 -0.366 9.537 1.00 53.25 C ATOM 282 C LEU A 17 -2.768 -1.254 8.675 1.00 14.34 C ATOM 283 O LEU A 17 -3.238 -2.254 8.145 1.00 55.23 O ATOM 284 CB LEU A 17 -4.037 0.960 8.797 1.00 54.41 C ATOM 285 CG LEU A 17 -5.135 1.832 9.494 1.00 72.01 C ATOM 286 CD1 LEU A 17 -5.260 3.224 8.842 1.00 74.21 C ATOM 287 CD2 LEU A 17 -6.490 1.101 9.519 1.00 54.40 C ATOM 0 H LEU A 17 -2.788 0.906 10.945 1.00 61.42 H new ATOM 0 HA LEU A 17 -4.601 -0.912 9.720 1.00 53.25 H new ATOM 0 HB2 LEU A 17 -3.132 1.558 8.693 1.00 54.41 H new ATOM 0 HB3 LEU A 17 -4.375 0.715 7.790 1.00 54.41 H new ATOM 0 HG LEU A 17 -4.820 1.988 10.526 1.00 72.01 H new ATOM 0 HD11 LEU A 17 -6.032 3.798 9.354 1.00 74.21 H new ATOM 0 HD12 LEU A 17 -4.307 3.748 8.918 1.00 74.21 H new ATOM 0 HD13 LEU A 17 -5.529 3.111 7.792 1.00 74.21 H new ATOM 0 HD21 LEU A 17 -7.234 1.730 10.009 1.00 54.40 H new ATOM 0 HD22 LEU A 17 -6.809 0.890 8.498 1.00 54.40 H new ATOM 0 HD23 LEU A 17 -6.388 0.165 10.068 1.00 54.40 H new ATOM 299 N SER A 18 -1.462 -0.903 8.607 1.00 1.35 N ATOM 300 CA SER A 18 -0.462 -1.639 7.806 1.00 3.11 C ATOM 301 C SER A 18 -0.369 -3.109 8.232 1.00 3.33 C ATOM 302 O SER A 18 -0.311 -4.001 7.384 1.00 63.51 O ATOM 303 CB SER A 18 0.929 -0.979 7.928 1.00 32.31 C ATOM 304 OG SER A 18 1.327 -0.854 9.277 1.00 50.24 O ATOM 0 H SER A 18 -1.075 -0.102 9.106 1.00 1.35 H new ATOM 0 HA SER A 18 -0.791 -1.601 6.767 1.00 3.11 H new ATOM 0 HB2 SER A 18 1.664 -1.573 7.385 1.00 32.31 H new ATOM 0 HB3 SER A 18 0.908 0.006 7.461 1.00 32.31 H new ATOM 0 HG SER A 18 0.562 -1.036 9.862 1.00 50.24 H new ATOM 310 N GLN A 19 -0.358 -3.335 9.560 1.00 15.33 N ATOM 311 CA GLN A 19 -0.306 -4.690 10.141 1.00 71.31 C ATOM 312 C GLN A 19 -1.576 -5.486 9.797 1.00 11.32 C ATOM 313 O GLN A 19 -1.498 -6.641 9.357 1.00 1.30 O ATOM 314 CB GLN A 19 -0.112 -4.608 11.674 1.00 40.15 C ATOM 315 CG GLN A 19 0.177 -5.963 12.353 1.00 2.13 C ATOM 316 CD GLN A 19 0.336 -5.886 13.876 1.00 71.11 C ATOM 317 OE1 GLN A 19 1.112 -6.639 14.466 1.00 74.02 O ATOM 318 NE2 GLN A 19 -0.420 -5.005 14.535 1.00 3.20 N ATOM 0 H GLN A 19 -0.385 -2.589 10.255 1.00 15.33 H new ATOM 0 HA GLN A 19 0.546 -5.215 9.709 1.00 71.31 H new ATOM 0 HB2 GLN A 19 0.710 -3.925 11.888 1.00 40.15 H new ATOM 0 HB3 GLN A 19 -1.009 -4.176 12.119 1.00 40.15 H new ATOM 0 HG2 GLN A 19 -0.633 -6.653 12.119 1.00 2.13 H new ATOM 0 HG3 GLN A 19 1.087 -6.383 11.925 1.00 2.13 H new ATOM 0 HE21 GLN A 19 -1.054 -4.393 14.022 1.00 3.20 H new ATOM 0 HE22 GLN A 19 -0.363 -4.944 15.552 1.00 3.20 H new ATOM 327 N SER A 20 -2.736 -4.821 9.957 1.00 41.21 N ATOM 328 CA SER A 20 -4.054 -5.426 9.727 1.00 74.52 C ATOM 329 C SER A 20 -4.207 -5.898 8.264 1.00 44.30 C ATOM 330 O SER A 20 -4.529 -7.067 8.013 1.00 52.21 O ATOM 331 CB SER A 20 -5.168 -4.419 10.095 1.00 62.33 C ATOM 332 OG SER A 20 -5.106 -4.044 11.467 1.00 64.11 O ATOM 0 H SER A 20 -2.781 -3.845 10.251 1.00 41.21 H new ATOM 0 HA SER A 20 -4.144 -6.304 10.367 1.00 74.52 H new ATOM 0 HB2 SER A 20 -5.076 -3.530 9.470 1.00 62.33 H new ATOM 0 HB3 SER A 20 -6.142 -4.860 9.882 1.00 62.33 H new ATOM 0 HG SER A 20 -4.390 -3.387 11.594 1.00 64.11 H new ATOM 338 N LEU A 21 -3.922 -4.992 7.305 1.00 40.33 N ATOM 339 CA LEU A 21 -4.087 -5.280 5.871 1.00 43.44 C ATOM 340 C LEU A 21 -2.976 -6.207 5.345 1.00 53.13 C ATOM 341 O LEU A 21 -3.176 -6.881 4.342 1.00 21.51 O ATOM 342 CB LEU A 21 -4.238 -3.959 5.050 1.00 1.14 C ATOM 343 CG LEU A 21 -3.098 -2.885 5.157 1.00 51.13 C ATOM 344 CD1 LEU A 21 -1.857 -3.250 4.344 1.00 45.34 C ATOM 345 CD2 LEU A 21 -3.604 -1.482 4.770 1.00 62.21 C ATOM 0 H LEU A 21 -3.576 -4.053 7.502 1.00 40.33 H new ATOM 0 HA LEU A 21 -5.016 -5.833 5.736 1.00 43.44 H new ATOM 0 HB2 LEU A 21 -4.343 -4.230 3.999 1.00 1.14 H new ATOM 0 HB3 LEU A 21 -5.172 -3.485 5.351 1.00 1.14 H new ATOM 0 HG LEU A 21 -2.800 -2.870 6.205 1.00 51.13 H new ATOM 0 HD11 LEU A 21 -1.105 -2.469 4.458 1.00 45.34 H new ATOM 0 HD12 LEU A 21 -1.454 -4.198 4.701 1.00 45.34 H new ATOM 0 HD13 LEU A 21 -2.126 -3.344 3.292 1.00 45.34 H new ATOM 0 HD21 LEU A 21 -2.788 -0.764 4.856 1.00 62.21 H new ATOM 0 HD22 LEU A 21 -3.967 -1.497 3.743 1.00 62.21 H new ATOM 0 HD23 LEU A 21 -4.415 -1.191 5.438 1.00 62.21 H new ATOM 357 N LEU A 22 -1.819 -6.244 6.040 1.00 30.13 N ATOM 358 CA LEU A 22 -0.741 -7.215 5.745 1.00 73.21 C ATOM 359 C LEU A 22 -1.259 -8.645 5.959 1.00 44.31 C ATOM 360 O LEU A 22 -1.044 -9.539 5.126 1.00 52.22 O ATOM 361 CB LEU A 22 0.498 -6.976 6.650 1.00 23.12 C ATOM 362 CG LEU A 22 1.665 -8.000 6.478 1.00 52.50 C ATOM 363 CD1 LEU A 22 2.284 -7.912 5.069 1.00 32.21 C ATOM 364 CD2 LEU A 22 2.721 -7.825 7.581 1.00 4.13 C ATOM 0 H LEU A 22 -1.606 -5.611 6.811 1.00 30.13 H new ATOM 0 HA LEU A 22 -0.440 -7.078 4.706 1.00 73.21 H new ATOM 0 HB2 LEU A 22 0.883 -5.976 6.452 1.00 23.12 H new ATOM 0 HB3 LEU A 22 0.174 -6.992 7.691 1.00 23.12 H new ATOM 0 HG LEU A 22 1.251 -9.003 6.583 1.00 52.50 H new ATOM 0 HD11 LEU A 22 3.093 -8.637 4.981 1.00 32.21 H new ATOM 0 HD12 LEU A 22 1.520 -8.128 4.322 1.00 32.21 H new ATOM 0 HD13 LEU A 22 2.677 -6.908 4.906 1.00 32.21 H new ATOM 0 HD21 LEU A 22 3.522 -8.551 7.437 1.00 4.13 H new ATOM 0 HD22 LEU A 22 3.132 -6.817 7.534 1.00 4.13 H new ATOM 0 HD23 LEU A 22 2.259 -7.984 8.555 1.00 4.13 H new ATOM 376 N GLU A 23 -1.948 -8.826 7.098 1.00 44.30 N ATOM 377 CA GLU A 23 -2.608 -10.088 7.452 1.00 14.14 C ATOM 378 C GLU A 23 -3.701 -10.433 6.427 1.00 73.22 C ATOM 379 O GLU A 23 -3.821 -11.575 6.013 1.00 63.11 O ATOM 380 CB GLU A 23 -3.185 -9.992 8.885 1.00 10.13 C ATOM 381 CG GLU A 23 -2.108 -9.802 9.972 1.00 64.01 C ATOM 382 CD GLU A 23 -2.692 -9.547 11.368 1.00 4.12 C ATOM 383 OE1 GLU A 23 -3.194 -10.508 11.994 1.00 52.21 O ATOM 384 OE2 GLU A 23 -2.656 -8.390 11.851 1.00 61.21 O ATOM 0 H GLU A 23 -2.062 -8.096 7.801 1.00 44.30 H new ATOM 0 HA GLU A 23 -1.875 -10.895 7.431 1.00 14.14 H new ATOM 0 HB2 GLU A 23 -3.886 -9.159 8.930 1.00 10.13 H new ATOM 0 HB3 GLU A 23 -3.752 -10.898 9.101 1.00 10.13 H new ATOM 0 HG2 GLU A 23 -1.476 -10.690 10.007 1.00 64.01 H new ATOM 0 HG3 GLU A 23 -1.467 -8.965 9.696 1.00 64.01 H new ATOM 391 N LEU A 24 -4.446 -9.412 5.985 1.00 24.31 N ATOM 392 CA LEU A 24 -5.520 -9.566 4.980 1.00 62.02 C ATOM 393 C LEU A 24 -4.948 -9.909 3.579 1.00 4.52 C ATOM 394 O LEU A 24 -5.601 -10.592 2.794 1.00 44.21 O ATOM 395 CB LEU A 24 -6.378 -8.273 4.949 1.00 70.31 C ATOM 396 CG LEU A 24 -7.049 -7.908 6.314 1.00 72.44 C ATOM 397 CD1 LEU A 24 -7.657 -6.493 6.295 1.00 33.22 C ATOM 398 CD2 LEU A 24 -8.090 -8.966 6.727 1.00 30.31 C ATOM 0 H LEU A 24 -4.326 -8.453 6.311 1.00 24.31 H new ATOM 0 HA LEU A 24 -6.155 -10.405 5.265 1.00 62.02 H new ATOM 0 HB2 LEU A 24 -5.748 -7.441 4.634 1.00 70.31 H new ATOM 0 HB3 LEU A 24 -7.156 -8.386 4.195 1.00 70.31 H new ATOM 0 HG LEU A 24 -6.263 -7.906 7.070 1.00 72.44 H new ATOM 0 HD11 LEU A 24 -8.113 -6.280 7.262 1.00 33.22 H new ATOM 0 HD12 LEU A 24 -6.873 -5.763 6.094 1.00 33.22 H new ATOM 0 HD13 LEU A 24 -8.416 -6.434 5.515 1.00 33.22 H new ATOM 0 HD21 LEU A 24 -8.538 -8.683 7.680 1.00 30.31 H new ATOM 0 HD22 LEU A 24 -8.867 -9.029 5.965 1.00 30.31 H new ATOM 0 HD23 LEU A 24 -7.603 -9.936 6.829 1.00 30.31 H new ATOM 410 N ALA A 25 -3.710 -9.456 3.303 1.00 42.32 N ATOM 411 CA ALA A 25 -3.008 -9.731 2.030 1.00 31.51 C ATOM 412 C ALA A 25 -2.573 -11.208 1.947 1.00 63.35 C ATOM 413 O ALA A 25 -2.790 -11.870 0.932 1.00 21.02 O ATOM 414 CB ALA A 25 -1.794 -8.799 1.868 1.00 45.24 C ATOM 0 H ALA A 25 -3.167 -8.889 3.954 1.00 42.32 H new ATOM 0 HA ALA A 25 -3.703 -9.537 1.213 1.00 31.51 H new ATOM 0 HB1 ALA A 25 -1.291 -9.017 0.926 1.00 45.24 H new ATOM 0 HB2 ALA A 25 -2.129 -7.762 1.869 1.00 45.24 H new ATOM 0 HB3 ALA A 25 -1.101 -8.957 2.694 1.00 45.24 H new ATOM 420 N GLN A 26 -1.974 -11.718 3.041 1.00 71.23 N ATOM 421 CA GLN A 26 -1.513 -13.129 3.122 1.00 1.10 C ATOM 422 C GLN A 26 -2.709 -14.098 3.296 1.00 52.41 C ATOM 423 O GLN A 26 -2.612 -15.280 2.971 1.00 53.02 O ATOM 424 CB GLN A 26 -0.478 -13.290 4.269 1.00 71.01 C ATOM 425 CG GLN A 26 -1.040 -13.033 5.678 1.00 15.12 C ATOM 426 CD GLN A 26 -0.001 -12.991 6.798 1.00 63.40 C ATOM 427 OE1 GLN A 26 1.184 -12.474 6.517 1.00 11.22 O flip ATOM 428 NE2 GLN A 26 -0.280 -13.383 7.929 1.00 2.44 N flip ATOM 0 H GLN A 26 -1.795 -11.176 3.886 1.00 71.23 H new ATOM 0 HA GLN A 26 -1.023 -13.388 2.184 1.00 1.10 H new ATOM 0 HB2 GLN A 26 -0.070 -14.300 4.233 1.00 71.01 H new ATOM 0 HB3 GLN A 26 0.351 -12.605 4.092 1.00 71.01 H new ATOM 0 HG2 GLN A 26 -1.579 -12.086 5.669 1.00 15.12 H new ATOM 0 HG3 GLN A 26 -1.767 -13.811 5.909 1.00 15.12 H new ATOM 0 HE21 GLN A 26 -1.201 -13.778 8.119 1.00 2.44 H new ATOM 0 HE22 GLN A 26 0.410 -13.314 8.677 1.00 2.44 H new ATOM 437 N ARG A 27 -3.834 -13.566 3.810 1.00 30.01 N ATOM 438 CA ARG A 27 -5.123 -14.294 3.906 1.00 35.52 C ATOM 439 C ARG A 27 -5.814 -14.411 2.531 1.00 72.10 C ATOM 440 O ARG A 27 -6.761 -15.197 2.380 1.00 3.24 O ATOM 441 CB ARG A 27 -6.070 -13.569 4.912 1.00 41.31 C ATOM 442 CG ARG A 27 -5.850 -13.914 6.403 1.00 43.15 C ATOM 443 CD ARG A 27 -6.267 -15.350 6.730 1.00 12.23 C ATOM 444 NE ARG A 27 -7.665 -15.606 6.326 1.00 53.02 N ATOM 445 CZ ARG A 27 -8.137 -16.764 5.825 1.00 33.22 C ATOM 446 NH1 ARG A 27 -7.341 -17.819 5.648 1.00 11.12 N ATOM 447 NH2 ARG A 27 -9.414 -16.858 5.492 1.00 11.54 N ATOM 0 H ARG A 27 -3.879 -12.614 4.174 1.00 30.01 H new ATOM 0 HA ARG A 27 -4.910 -15.302 4.262 1.00 35.52 H new ATOM 0 HB2 ARG A 27 -5.951 -12.493 4.785 1.00 41.31 H new ATOM 0 HB3 ARG A 27 -7.101 -13.808 4.650 1.00 41.31 H new ATOM 0 HG2 ARG A 27 -4.799 -13.776 6.655 1.00 43.15 H new ATOM 0 HG3 ARG A 27 -6.420 -13.222 7.023 1.00 43.15 H new ATOM 0 HD2 ARG A 27 -5.604 -16.049 6.220 1.00 12.23 H new ATOM 0 HD3 ARG A 27 -6.156 -15.529 7.799 1.00 12.23 H new ATOM 0 HE ARG A 27 -8.330 -14.840 6.436 1.00 53.02 H new ATOM 0 HH11 ARG A 27 -6.353 -17.759 5.894 1.00 11.12 H new ATOM 0 HH12 ARG A 27 -7.720 -18.686 5.267 1.00 11.12 H new ATOM 0 HH21 ARG A 27 -10.033 -16.057 5.615 1.00 11.54 H new ATOM 0 HH22 ARG A 27 -9.779 -17.731 5.112 1.00 11.54 H new ATOM 461 N GLY A 28 -5.349 -13.612 1.546 1.00 42.11 N ATOM 462 CA GLY A 28 -5.962 -13.560 0.216 1.00 0.50 C ATOM 463 C GLY A 28 -7.241 -12.728 0.187 1.00 74.33 C ATOM 464 O GLY A 28 -7.975 -12.733 -0.811 1.00 44.44 O ATOM 0 H GLY A 28 -4.546 -12.993 1.656 1.00 42.11 H new ATOM 0 HA2 GLY A 28 -5.247 -13.143 -0.493 1.00 0.50 H new ATOM 0 HA3 GLY A 28 -6.186 -14.574 -0.116 1.00 0.50 H new ATOM 468 N GLU A 29 -7.513 -12.024 1.298 1.00 5.43 N ATOM 469 CA GLU A 29 -8.702 -11.184 1.470 1.00 13.11 C ATOM 470 C GLU A 29 -8.417 -9.788 0.896 1.00 24.34 C ATOM 471 O GLU A 29 -8.079 -8.853 1.633 1.00 31.55 O ATOM 472 CB GLU A 29 -9.100 -11.130 2.972 1.00 52.24 C ATOM 473 CG GLU A 29 -9.400 -12.516 3.573 1.00 3.21 C ATOM 474 CD GLU A 29 -9.826 -12.480 5.050 1.00 24.12 C ATOM 475 OE1 GLU A 29 -8.965 -12.265 5.928 1.00 40.40 O ATOM 476 OE2 GLU A 29 -11.023 -12.681 5.340 1.00 51.22 O ATOM 0 H GLU A 29 -6.900 -12.025 2.114 1.00 5.43 H new ATOM 0 HA GLU A 29 -9.548 -11.607 0.928 1.00 13.11 H new ATOM 0 HB2 GLU A 29 -8.294 -10.663 3.538 1.00 52.24 H new ATOM 0 HB3 GLU A 29 -9.978 -10.495 3.085 1.00 52.24 H new ATOM 0 HG2 GLU A 29 -10.189 -12.990 2.990 1.00 3.21 H new ATOM 0 HG3 GLU A 29 -8.513 -13.142 3.477 1.00 3.21 H new ATOM 483 N TRP A 30 -8.518 -9.685 -0.441 1.00 14.12 N ATOM 484 CA TRP A 30 -8.126 -8.477 -1.192 1.00 61.05 C ATOM 485 C TRP A 30 -9.104 -7.314 -0.972 1.00 74.41 C ATOM 486 O TRP A 30 -8.693 -6.161 -0.969 1.00 2.23 O ATOM 487 CB TRP A 30 -8.003 -8.795 -2.706 1.00 72.52 C ATOM 488 CG TRP A 30 -7.178 -10.034 -3.014 1.00 25.13 C ATOM 489 CD1 TRP A 30 -7.585 -11.143 -3.705 1.00 61.42 C ATOM 490 CD2 TRP A 30 -5.819 -10.304 -2.617 1.00 13.42 C ATOM 491 NE1 TRP A 30 -6.577 -12.069 -3.760 1.00 71.31 N ATOM 492 CE2 TRP A 30 -5.486 -11.582 -3.102 1.00 31.01 C ATOM 493 CE3 TRP A 30 -4.858 -9.595 -1.898 1.00 51.24 C ATOM 494 CZ2 TRP A 30 -4.236 -12.155 -2.900 1.00 31.31 C ATOM 495 CZ3 TRP A 30 -3.620 -10.163 -1.695 1.00 24.43 C ATOM 496 CH2 TRP A 30 -3.318 -11.432 -2.191 1.00 44.30 C ATOM 0 H TRP A 30 -8.874 -10.436 -1.032 1.00 14.12 H new ATOM 0 HA TRP A 30 -7.154 -8.163 -0.811 1.00 61.05 H new ATOM 0 HB2 TRP A 30 -9.002 -8.924 -3.122 1.00 72.52 H new ATOM 0 HB3 TRP A 30 -7.556 -7.939 -3.211 1.00 72.52 H new ATOM 0 HD1 TRP A 30 -8.563 -11.270 -4.145 1.00 61.42 H new ATOM 0 HE1 TRP A 30 -6.633 -12.978 -4.220 1.00 71.31 H new ATOM 0 HE3 TRP A 30 -5.081 -8.614 -1.506 1.00 51.24 H new ATOM 0 HZ2 TRP A 30 -3.999 -13.134 -3.289 1.00 31.31 H new ATOM 0 HZ3 TRP A 30 -2.870 -9.617 -1.142 1.00 24.43 H new ATOM 0 HH2 TRP A 30 -2.339 -11.851 -2.011 1.00 44.30 H new ATOM 507 N ASP A 31 -10.393 -7.631 -0.782 1.00 43.12 N ATOM 508 CA ASP A 31 -11.444 -6.616 -0.540 1.00 62.53 C ATOM 509 C ASP A 31 -11.178 -5.884 0.783 1.00 31.11 C ATOM 510 O ASP A 31 -11.259 -4.656 0.861 1.00 3.30 O ATOM 511 CB ASP A 31 -12.843 -7.276 -0.510 1.00 73.53 C ATOM 512 CG ASP A 31 -13.157 -8.052 -1.799 1.00 43.51 C ATOM 513 OD1 ASP A 31 -12.924 -9.282 -1.842 1.00 64.23 O ATOM 514 OD2 ASP A 31 -13.610 -7.428 -2.780 1.00 70.11 O ATOM 0 H ASP A 31 -10.741 -8.590 -0.790 1.00 43.12 H new ATOM 0 HA ASP A 31 -11.420 -5.894 -1.356 1.00 62.53 H new ATOM 0 HB2 ASP A 31 -12.903 -7.954 0.342 1.00 73.53 H new ATOM 0 HB3 ASP A 31 -13.601 -6.507 -0.359 1.00 73.53 H new ATOM 519 N LEU A 32 -10.818 -6.675 1.806 1.00 13.32 N ATOM 520 CA LEU A 32 -10.506 -6.170 3.148 1.00 13.42 C ATOM 521 C LEU A 32 -9.162 -5.409 3.140 1.00 24.33 C ATOM 522 O LEU A 32 -9.033 -4.370 3.792 1.00 10.21 O ATOM 523 CB LEU A 32 -10.493 -7.348 4.156 1.00 1.10 C ATOM 524 CG LEU A 32 -11.842 -8.116 4.332 1.00 30.14 C ATOM 525 CD1 LEU A 32 -11.697 -9.250 5.365 1.00 62.24 C ATOM 526 CD2 LEU A 32 -12.993 -7.163 4.721 1.00 55.04 C ATOM 0 H LEU A 32 -10.735 -7.688 1.723 1.00 13.32 H new ATOM 0 HA LEU A 32 -11.276 -5.464 3.460 1.00 13.42 H new ATOM 0 HB2 LEU A 32 -9.731 -8.061 3.841 1.00 1.10 H new ATOM 0 HB3 LEU A 32 -10.187 -6.964 5.129 1.00 1.10 H new ATOM 0 HG LEU A 32 -12.094 -8.559 3.369 1.00 30.14 H new ATOM 0 HD11 LEU A 32 -12.649 -9.770 5.470 1.00 62.24 H new ATOM 0 HD12 LEU A 32 -10.935 -9.953 5.029 1.00 62.24 H new ATOM 0 HD13 LEU A 32 -11.405 -8.830 6.327 1.00 62.24 H new ATOM 0 HD21 LEU A 32 -13.915 -7.733 4.835 1.00 55.04 H new ATOM 0 HD22 LEU A 32 -12.754 -6.669 5.663 1.00 55.04 H new ATOM 0 HD23 LEU A 32 -13.124 -6.413 3.941 1.00 55.04 H new ATOM 538 N LEU A 33 -8.185 -5.938 2.368 1.00 43.41 N ATOM 539 CA LEU A 33 -6.871 -5.292 2.123 1.00 51.42 C ATOM 540 C LEU A 33 -7.057 -3.855 1.582 1.00 43.53 C ATOM 541 O LEU A 33 -6.477 -2.896 2.106 1.00 25.51 O ATOM 542 CB LEU A 33 -6.053 -6.145 1.102 1.00 64.40 C ATOM 543 CG LEU A 33 -4.722 -5.519 0.553 1.00 74.22 C ATOM 544 CD1 LEU A 33 -3.657 -5.381 1.650 1.00 63.11 C ATOM 545 CD2 LEU A 33 -4.182 -6.319 -0.645 1.00 3.52 C ATOM 0 H LEU A 33 -8.286 -6.834 1.892 1.00 43.41 H new ATOM 0 HA LEU A 33 -6.329 -5.233 3.067 1.00 51.42 H new ATOM 0 HB2 LEU A 33 -5.810 -7.097 1.574 1.00 64.40 H new ATOM 0 HB3 LEU A 33 -6.699 -6.367 0.252 1.00 64.40 H new ATOM 0 HG LEU A 33 -4.961 -4.514 0.207 1.00 74.22 H new ATOM 0 HD11 LEU A 33 -2.753 -4.944 1.226 1.00 63.11 H new ATOM 0 HD12 LEU A 33 -4.034 -4.737 2.444 1.00 63.11 H new ATOM 0 HD13 LEU A 33 -3.427 -6.365 2.060 1.00 63.11 H new ATOM 0 HD21 LEU A 33 -3.260 -5.861 -1.003 1.00 3.52 H new ATOM 0 HD22 LEU A 33 -3.981 -7.345 -0.337 1.00 3.52 H new ATOM 0 HD23 LEU A 33 -4.922 -6.319 -1.446 1.00 3.52 H new ATOM 557 N LEU A 34 -7.913 -3.740 0.554 1.00 62.03 N ATOM 558 CA LEU A 34 -8.176 -2.476 -0.157 1.00 15.55 C ATOM 559 C LEU A 34 -9.092 -1.539 0.654 1.00 34.00 C ATOM 560 O LEU A 34 -9.072 -0.318 0.448 1.00 15.34 O ATOM 561 CB LEU A 34 -8.793 -2.785 -1.542 1.00 72.03 C ATOM 562 CG LEU A 34 -7.874 -3.583 -2.521 1.00 35.50 C ATOM 563 CD1 LEU A 34 -8.660 -4.059 -3.756 1.00 71.11 C ATOM 564 CD2 LEU A 34 -6.629 -2.766 -2.928 1.00 13.12 C ATOM 0 H LEU A 34 -8.447 -4.528 0.189 1.00 62.03 H new ATOM 0 HA LEU A 34 -7.229 -1.954 -0.289 1.00 15.55 H new ATOM 0 HB2 LEU A 34 -9.714 -3.349 -1.393 1.00 72.03 H new ATOM 0 HB3 LEU A 34 -9.070 -1.843 -2.016 1.00 72.03 H new ATOM 0 HG LEU A 34 -7.520 -4.467 -1.990 1.00 35.50 H new ATOM 0 HD11 LEU A 34 -7.995 -4.611 -4.420 1.00 71.11 H new ATOM 0 HD12 LEU A 34 -9.477 -4.707 -3.440 1.00 71.11 H new ATOM 0 HD13 LEU A 34 -9.065 -3.196 -4.284 1.00 71.11 H new ATOM 0 HD21 LEU A 34 -6.014 -3.354 -3.609 1.00 13.12 H new ATOM 0 HD22 LEU A 34 -6.943 -1.847 -3.424 1.00 13.12 H new ATOM 0 HD23 LEU A 34 -6.050 -2.518 -2.039 1.00 13.12 H new ATOM 576 N GLN A 35 -9.895 -2.108 1.567 1.00 41.14 N ATOM 577 CA GLN A 35 -10.758 -1.316 2.465 1.00 71.25 C ATOM 578 C GLN A 35 -9.890 -0.555 3.493 1.00 11.54 C ATOM 579 O GLN A 35 -10.182 0.595 3.842 1.00 34.43 O ATOM 580 CB GLN A 35 -11.786 -2.230 3.188 1.00 65.41 C ATOM 581 CG GLN A 35 -12.813 -1.478 4.072 1.00 34.23 C ATOM 582 CD GLN A 35 -13.758 -0.544 3.299 1.00 34.32 C ATOM 583 OE1 GLN A 35 -14.155 0.510 3.798 1.00 34.42 O ATOM 584 NE2 GLN A 35 -14.174 -0.940 2.101 1.00 64.34 N ATOM 0 H GLN A 35 -9.966 -3.116 1.705 1.00 41.14 H new ATOM 0 HA GLN A 35 -11.313 -0.592 1.868 1.00 71.25 H new ATOM 0 HB2 GLN A 35 -12.327 -2.809 2.439 1.00 65.41 H new ATOM 0 HB3 GLN A 35 -11.244 -2.942 3.810 1.00 65.41 H new ATOM 0 HG2 GLN A 35 -13.411 -2.210 4.615 1.00 34.23 H new ATOM 0 HG3 GLN A 35 -12.273 -0.893 4.816 1.00 34.23 H new ATOM 0 HE21 GLN A 35 -13.832 -1.816 1.707 1.00 64.34 H new ATOM 0 HE22 GLN A 35 -14.835 -0.368 1.576 1.00 64.34 H new ATOM 593 N GLN A 36 -8.808 -1.212 3.959 1.00 45.14 N ATOM 594 CA GLN A 36 -7.859 -0.611 4.913 1.00 41.03 C ATOM 595 C GLN A 36 -6.822 0.273 4.180 1.00 21.53 C ATOM 596 O GLN A 36 -6.294 1.215 4.771 1.00 4.52 O ATOM 597 CB GLN A 36 -7.153 -1.717 5.740 1.00 44.02 C ATOM 598 CG GLN A 36 -8.106 -2.689 6.469 1.00 14.10 C ATOM 599 CD GLN A 36 -9.071 -2.011 7.444 1.00 13.45 C ATOM 600 OE1 GLN A 36 -8.758 -0.986 8.047 1.00 21.40 O ATOM 601 NE2 GLN A 36 -10.257 -2.581 7.608 1.00 51.13 N ATOM 0 H GLN A 36 -8.571 -2.166 3.686 1.00 45.14 H new ATOM 0 HA GLN A 36 -8.419 0.028 5.596 1.00 41.03 H new ATOM 0 HB2 GLN A 36 -6.509 -2.292 5.075 1.00 44.02 H new ATOM 0 HB3 GLN A 36 -6.507 -1.242 6.478 1.00 44.02 H new ATOM 0 HG2 GLN A 36 -8.685 -3.238 5.726 1.00 14.10 H new ATOM 0 HG3 GLN A 36 -7.511 -3.422 7.015 1.00 14.10 H new ATOM 0 HE21 GLN A 36 -10.490 -3.431 7.095 1.00 51.13 H new ATOM 0 HE22 GLN A 36 -10.937 -2.169 8.248 1.00 51.13 H new ATOM 610 N GLU A 37 -6.549 -0.067 2.895 1.00 31.03 N ATOM 611 CA GLU A 37 -5.651 0.687 1.971 1.00 5.32 C ATOM 612 C GLU A 37 -5.905 2.194 2.021 1.00 3.45 C ATOM 613 O GLU A 37 -4.992 2.973 2.281 1.00 50.32 O ATOM 614 CB GLU A 37 -5.902 0.208 0.514 1.00 50.12 C ATOM 615 CG GLU A 37 -5.259 1.074 -0.601 1.00 31.50 C ATOM 616 CD GLU A 37 -5.769 0.766 -2.016 1.00 40.31 C ATOM 617 OE1 GLU A 37 -6.986 0.525 -2.170 1.00 33.33 O ATOM 618 OE2 GLU A 37 -4.998 0.869 -2.987 1.00 30.12 O ATOM 0 H GLU A 37 -6.956 -0.894 2.457 1.00 31.03 H new ATOM 0 HA GLU A 37 -4.625 0.497 2.287 1.00 5.32 H new ATOM 0 HB2 GLU A 37 -5.528 -0.811 0.417 1.00 50.12 H new ATOM 0 HB3 GLU A 37 -6.978 0.171 0.344 1.00 50.12 H new ATOM 0 HG2 GLU A 37 -5.446 2.125 -0.381 1.00 31.50 H new ATOM 0 HG3 GLU A 37 -4.179 0.931 -0.578 1.00 31.50 H new ATOM 625 N VAL A 38 -7.163 2.573 1.743 1.00 40.04 N ATOM 626 CA VAL A 38 -7.554 3.977 1.589 1.00 41.10 C ATOM 627 C VAL A 38 -7.263 4.789 2.863 1.00 32.42 C ATOM 628 O VAL A 38 -6.666 5.863 2.784 1.00 43.45 O ATOM 629 CB VAL A 38 -9.055 4.124 1.140 1.00 44.24 C ATOM 630 CG1 VAL A 38 -9.239 3.620 -0.307 1.00 64.12 C ATOM 631 CG2 VAL A 38 -10.026 3.400 2.100 1.00 3.43 C ATOM 0 H VAL A 38 -7.932 1.915 1.620 1.00 40.04 H new ATOM 0 HA VAL A 38 -6.940 4.392 0.790 1.00 41.10 H new ATOM 0 HB VAL A 38 -9.301 5.185 1.177 1.00 44.24 H new ATOM 0 HG11 VAL A 38 -10.283 3.729 -0.600 1.00 64.12 H new ATOM 0 HG12 VAL A 38 -8.610 4.205 -0.979 1.00 64.12 H new ATOM 0 HG13 VAL A 38 -8.954 2.570 -0.365 1.00 64.12 H new ATOM 0 HG21 VAL A 38 -11.050 3.530 1.748 1.00 3.43 H new ATOM 0 HG22 VAL A 38 -9.784 2.338 2.129 1.00 3.43 H new ATOM 0 HG23 VAL A 38 -9.930 3.821 3.101 1.00 3.43 H new ATOM 641 N SER A 39 -7.619 4.218 4.026 1.00 74.01 N ATOM 642 CA SER A 39 -7.365 4.829 5.342 1.00 52.32 C ATOM 643 C SER A 39 -5.850 4.977 5.589 1.00 53.43 C ATOM 644 O SER A 39 -5.369 6.028 6.016 1.00 32.00 O ATOM 645 CB SER A 39 -8.016 3.949 6.433 1.00 0.35 C ATOM 646 OG SER A 39 -9.379 3.700 6.125 1.00 53.55 O ATOM 0 H SER A 39 -8.093 3.316 4.080 1.00 74.01 H new ATOM 0 HA SER A 39 -7.802 5.827 5.373 1.00 52.32 H new ATOM 0 HB2 SER A 39 -7.478 3.005 6.516 1.00 0.35 H new ATOM 0 HB3 SER A 39 -7.941 4.445 7.401 1.00 0.35 H new ATOM 0 HG SER A 39 -9.776 3.140 6.825 1.00 53.55 H new ATOM 652 N TYR A 40 -5.126 3.913 5.234 1.00 60.15 N ATOM 653 CA TYR A 40 -3.687 3.763 5.463 1.00 22.43 C ATOM 654 C TYR A 40 -2.858 4.798 4.666 1.00 4.25 C ATOM 655 O TYR A 40 -2.191 5.657 5.265 1.00 65.02 O ATOM 656 CB TYR A 40 -3.306 2.305 5.084 1.00 44.34 C ATOM 657 CG TYR A 40 -1.817 1.990 5.084 1.00 30.13 C ATOM 658 CD1 TYR A 40 -1.028 2.261 6.196 1.00 53.21 C ATOM 659 CD2 TYR A 40 -1.205 1.403 3.972 1.00 52.11 C ATOM 660 CE1 TYR A 40 0.307 1.963 6.198 1.00 20.10 C ATOM 661 CE2 TYR A 40 0.137 1.103 3.975 1.00 2.31 C ATOM 662 CZ TYR A 40 0.889 1.381 5.090 1.00 23.02 C ATOM 663 OH TYR A 40 2.228 1.078 5.110 1.00 45.34 O ATOM 0 H TYR A 40 -5.538 3.107 4.764 1.00 60.15 H new ATOM 0 HA TYR A 40 -3.456 3.954 6.511 1.00 22.43 H new ATOM 0 HB2 TYR A 40 -3.802 1.627 5.779 1.00 44.34 H new ATOM 0 HB3 TYR A 40 -3.704 2.091 4.092 1.00 44.34 H new ATOM 0 HD1 TYR A 40 -1.475 2.713 7.069 1.00 53.21 H new ATOM 0 HD2 TYR A 40 -1.796 1.182 3.096 1.00 52.11 H new ATOM 0 HE1 TYR A 40 0.907 2.184 7.068 1.00 20.10 H new ATOM 0 HE2 TYR A 40 0.596 0.652 3.107 1.00 2.31 H new ATOM 0 HH TYR A 40 2.608 1.331 5.977 1.00 45.34 H new ATOM 673 N LEU A 41 -2.924 4.704 3.324 1.00 44.13 N ATOM 674 CA LEU A 41 -2.156 5.558 2.405 1.00 43.43 C ATOM 675 C LEU A 41 -2.530 7.044 2.572 1.00 70.24 C ATOM 676 O LEU A 41 -1.644 7.901 2.551 1.00 41.31 O ATOM 677 CB LEU A 41 -2.360 5.086 0.934 1.00 62.01 C ATOM 678 CG LEU A 41 -1.816 3.654 0.588 1.00 50.32 C ATOM 679 CD1 LEU A 41 -2.179 3.245 -0.860 1.00 50.34 C ATOM 680 CD2 LEU A 41 -0.289 3.565 0.819 1.00 53.23 C ATOM 0 H LEU A 41 -3.518 4.026 2.846 1.00 44.13 H new ATOM 0 HA LEU A 41 -1.099 5.463 2.654 1.00 43.43 H new ATOM 0 HB2 LEU A 41 -3.426 5.112 0.710 1.00 62.01 H new ATOM 0 HB3 LEU A 41 -1.878 5.806 0.272 1.00 62.01 H new ATOM 0 HG LEU A 41 -2.301 2.949 1.264 1.00 50.32 H new ATOM 0 HD11 LEU A 41 -1.787 2.249 -1.066 1.00 50.34 H new ATOM 0 HD12 LEU A 41 -3.263 3.240 -0.976 1.00 50.34 H new ATOM 0 HD13 LEU A 41 -1.743 3.958 -1.560 1.00 50.34 H new ATOM 0 HD21 LEU A 41 0.059 2.562 0.571 1.00 53.23 H new ATOM 0 HD22 LEU A 41 0.218 4.292 0.185 1.00 53.23 H new ATOM 0 HD23 LEU A 41 -0.066 3.778 1.864 1.00 53.23 H new ATOM 692 N GLN A 42 -3.837 7.334 2.793 1.00 64.45 N ATOM 693 CA GLN A 42 -4.315 8.722 2.988 1.00 73.45 C ATOM 694 C GLN A 42 -3.716 9.333 4.277 1.00 42.24 C ATOM 695 O GLN A 42 -3.356 10.510 4.284 1.00 42.51 O ATOM 696 CB GLN A 42 -5.863 8.772 3.032 1.00 73.43 C ATOM 697 CG GLN A 42 -6.479 10.189 2.977 1.00 43.11 C ATOM 698 CD GLN A 42 -8.019 10.218 3.018 1.00 44.54 C ATOM 699 OE1 GLN A 42 -8.676 9.206 2.463 1.00 32.40 O flip ATOM 700 NE2 GLN A 42 -8.619 11.162 3.536 1.00 41.24 N flip ATOM 0 H GLN A 42 -4.573 6.629 2.840 1.00 64.45 H new ATOM 0 HA GLN A 42 -3.978 9.316 2.138 1.00 73.45 H new ATOM 0 HB2 GLN A 42 -6.253 8.191 2.196 1.00 73.43 H new ATOM 0 HB3 GLN A 42 -6.200 8.282 3.945 1.00 73.43 H new ATOM 0 HG2 GLN A 42 -6.095 10.771 3.815 1.00 43.11 H new ATOM 0 HG3 GLN A 42 -6.143 10.682 2.065 1.00 43.11 H new ATOM 0 HE21 GLN A 42 -8.096 11.930 3.957 1.00 41.24 H new ATOM 0 HE22 GLN A 42 -9.639 11.175 3.544 1.00 41.24 H new ATOM 709 N SER A 43 -3.598 8.514 5.353 1.00 21.10 N ATOM 710 CA SER A 43 -2.973 8.941 6.629 1.00 25.13 C ATOM 711 C SER A 43 -1.470 9.276 6.455 1.00 3.14 C ATOM 712 O SER A 43 -0.972 10.258 7.035 1.00 2.51 O ATOM 713 CB SER A 43 -3.158 7.860 7.717 1.00 23.41 C ATOM 714 OG SER A 43 -4.529 7.657 8.013 1.00 2.02 O ATOM 0 H SER A 43 -3.930 7.549 5.361 1.00 21.10 H new ATOM 0 HA SER A 43 -3.480 9.853 6.946 1.00 25.13 H new ATOM 0 HB2 SER A 43 -2.714 6.923 7.381 1.00 23.41 H new ATOM 0 HB3 SER A 43 -2.628 8.157 8.622 1.00 23.41 H new ATOM 0 HG SER A 43 -4.950 7.153 7.286 1.00 2.02 H new ATOM 720 N ILE A 44 -0.766 8.452 5.654 1.00 0.35 N ATOM 721 CA ILE A 44 0.658 8.674 5.316 1.00 50.12 C ATOM 722 C ILE A 44 0.831 10.041 4.617 1.00 53.01 C ATOM 723 O ILE A 44 1.653 10.876 5.008 1.00 30.11 O ATOM 724 CB ILE A 44 1.207 7.526 4.377 1.00 34.20 C ATOM 725 CG1 ILE A 44 1.132 6.130 5.076 1.00 43.11 C ATOM 726 CG2 ILE A 44 2.646 7.830 3.901 1.00 63.32 C ATOM 727 CD1 ILE A 44 1.539 4.951 4.193 1.00 22.14 C ATOM 0 H ILE A 44 -1.164 7.617 5.224 1.00 0.35 H new ATOM 0 HA ILE A 44 1.229 8.664 6.244 1.00 50.12 H new ATOM 0 HB ILE A 44 0.564 7.491 3.497 1.00 34.20 H new ATOM 0 HG12 ILE A 44 1.774 6.145 5.957 1.00 43.11 H new ATOM 0 HG13 ILE A 44 0.113 5.969 5.427 1.00 43.11 H new ATOM 0 HG21 ILE A 44 2.995 7.022 3.258 1.00 63.32 H new ATOM 0 HG22 ILE A 44 2.655 8.767 3.344 1.00 63.32 H new ATOM 0 HG23 ILE A 44 3.305 7.915 4.765 1.00 63.32 H new ATOM 0 HD11 ILE A 44 1.456 4.025 4.762 1.00 22.14 H new ATOM 0 HD12 ILE A 44 0.883 4.904 3.324 1.00 22.14 H new ATOM 0 HD13 ILE A 44 2.569 5.083 3.863 1.00 22.14 H new ATOM 739 N GLU A 45 0.005 10.268 3.604 1.00 21.23 N ATOM 740 CA GLU A 45 0.090 11.460 2.766 1.00 53.02 C ATOM 741 C GLU A 45 -0.401 12.713 3.524 1.00 2.35 C ATOM 742 O GLU A 45 0.110 13.810 3.284 1.00 25.45 O ATOM 743 CB GLU A 45 -0.695 11.211 1.457 1.00 75.15 C ATOM 744 CG GLU A 45 -0.172 9.993 0.655 1.00 1.34 C ATOM 745 CD GLU A 45 -1.083 9.598 -0.513 1.00 15.02 C ATOM 746 OE1 GLU A 45 -0.685 9.749 -1.691 1.00 50.34 O ATOM 747 OE2 GLU A 45 -2.220 9.144 -0.257 1.00 41.44 O ATOM 0 H GLU A 45 -0.745 9.630 3.339 1.00 21.23 H new ATOM 0 HA GLU A 45 1.131 11.656 2.509 1.00 53.02 H new ATOM 0 HB2 GLU A 45 -1.747 11.056 1.696 1.00 75.15 H new ATOM 0 HB3 GLU A 45 -0.638 12.102 0.831 1.00 75.15 H new ATOM 0 HG2 GLU A 45 0.822 10.220 0.270 1.00 1.34 H new ATOM 0 HG3 GLU A 45 -0.067 9.142 1.328 1.00 1.34 H new ATOM 754 N THR A 46 -1.341 12.539 4.484 1.00 0.31 N ATOM 755 CA THR A 46 -1.924 13.676 5.229 1.00 61.12 C ATOM 756 C THR A 46 -0.953 14.200 6.316 1.00 65.42 C ATOM 757 O THR A 46 -0.959 15.397 6.617 1.00 23.41 O ATOM 758 CB THR A 46 -3.340 13.346 5.830 1.00 41.12 C ATOM 759 OG1 THR A 46 -4.065 14.560 6.074 1.00 60.32 O ATOM 760 CG2 THR A 46 -3.276 12.544 7.136 1.00 33.34 C ATOM 0 H THR A 46 -1.708 11.628 4.758 1.00 0.31 H new ATOM 0 HA THR A 46 -2.075 14.476 4.504 1.00 61.12 H new ATOM 0 HB THR A 46 -3.846 12.728 5.088 1.00 41.12 H new ATOM 0 HG1 THR A 46 -4.946 14.346 6.447 1.00 60.32 H new ATOM 0 HG21 THR A 46 -4.287 12.352 7.495 1.00 33.34 H new ATOM 0 HG22 THR A 46 -2.768 11.596 6.957 1.00 33.34 H new ATOM 0 HG23 THR A 46 -2.727 13.113 7.886 1.00 33.34 H new ATOM 768 N VAL A 47 -0.103 13.311 6.901 1.00 12.34 N ATOM 769 CA VAL A 47 0.986 13.771 7.800 1.00 11.40 C ATOM 770 C VAL A 47 2.101 14.441 6.965 1.00 3.43 C ATOM 771 O VAL A 47 2.758 15.383 7.431 1.00 53.22 O ATOM 772 CB VAL A 47 1.586 12.626 8.718 1.00 42.43 C ATOM 773 CG1 VAL A 47 0.505 12.006 9.627 1.00 65.54 C ATOM 774 CG2 VAL A 47 2.298 11.530 7.907 1.00 73.44 C ATOM 0 H VAL A 47 -0.149 12.301 6.770 1.00 12.34 H new ATOM 0 HA VAL A 47 0.543 14.494 8.485 1.00 11.40 H new ATOM 0 HB VAL A 47 2.337 13.104 9.348 1.00 42.43 H new ATOM 0 HG11 VAL A 47 0.951 11.225 10.242 1.00 65.54 H new ATOM 0 HG12 VAL A 47 0.084 12.779 10.270 1.00 65.54 H new ATOM 0 HG13 VAL A 47 -0.285 11.576 9.011 1.00 65.54 H new ATOM 0 HG21 VAL A 47 2.690 10.772 8.585 1.00 73.44 H new ATOM 0 HG22 VAL A 47 1.590 11.070 7.218 1.00 73.44 H new ATOM 0 HG23 VAL A 47 3.120 11.971 7.342 1.00 73.44 H new ATOM 784 N MET A 48 2.286 13.955 5.711 1.00 74.42 N ATOM 785 CA MET A 48 3.256 14.535 4.752 1.00 61.53 C ATOM 786 C MET A 48 2.726 15.804 4.049 1.00 23.13 C ATOM 787 O MET A 48 3.485 16.469 3.331 1.00 51.41 O ATOM 788 CB MET A 48 3.690 13.471 3.719 1.00 62.05 C ATOM 789 CG MET A 48 4.442 12.291 4.342 1.00 62.11 C ATOM 790 SD MET A 48 5.858 12.818 5.335 1.00 1.24 S ATOM 791 CE MET A 48 6.539 11.243 5.851 1.00 41.34 C ATOM 0 H MET A 48 1.771 13.157 5.340 1.00 74.42 H new ATOM 0 HA MET A 48 4.125 14.848 5.330 1.00 61.53 H new ATOM 0 HB2 MET A 48 2.807 13.097 3.201 1.00 62.05 H new ATOM 0 HB3 MET A 48 4.325 13.942 2.968 1.00 62.05 H new ATOM 0 HG2 MET A 48 3.757 11.717 4.967 1.00 62.11 H new ATOM 0 HG3 MET A 48 4.785 11.625 3.551 1.00 62.11 H new ATOM 0 HE1 MET A 48 6.666 11.238 6.934 1.00 41.34 H new ATOM 0 HE2 MET A 48 5.860 10.441 5.562 1.00 41.34 H new ATOM 0 HE3 MET A 48 7.506 11.090 5.372 1.00 41.34 H new ATOM 801 N GLU A 49 1.432 16.142 4.252 1.00 71.33 N ATOM 802 CA GLU A 49 0.883 17.470 3.861 1.00 40.23 C ATOM 803 C GLU A 49 1.532 18.590 4.700 1.00 10.15 C ATOM 804 O GLU A 49 1.676 19.729 4.237 1.00 43.41 O ATOM 805 CB GLU A 49 -0.666 17.511 4.026 1.00 22.51 C ATOM 806 CG GLU A 49 -1.457 16.661 3.005 1.00 70.04 C ATOM 807 CD GLU A 49 -1.338 17.165 1.553 1.00 2.12 C ATOM 808 OE1 GLU A 49 -2.156 18.013 1.131 1.00 25.44 O ATOM 809 OE2 GLU A 49 -0.420 16.727 0.821 1.00 74.32 O ATOM 0 H GLU A 49 0.748 15.520 4.682 1.00 71.33 H new ATOM 0 HA GLU A 49 1.119 17.631 2.809 1.00 40.23 H new ATOM 0 HB2 GLU A 49 -0.918 17.171 5.031 1.00 22.51 H new ATOM 0 HB3 GLU A 49 -0.997 18.547 3.947 1.00 22.51 H new ATOM 0 HG2 GLU A 49 -1.104 15.631 3.053 1.00 70.04 H new ATOM 0 HG3 GLU A 49 -2.509 16.651 3.292 1.00 70.04 H new ATOM 816 N LYS A 50 1.915 18.242 5.941 1.00 64.12 N ATOM 817 CA LYS A 50 2.638 19.144 6.855 1.00 63.14 C ATOM 818 C LYS A 50 4.162 19.052 6.652 1.00 23.11 C ATOM 819 O LYS A 50 4.899 19.834 7.258 1.00 22.23 O ATOM 820 CB LYS A 50 2.281 18.804 8.331 1.00 11.21 C ATOM 821 CG LYS A 50 0.841 19.170 8.742 1.00 14.02 C ATOM 822 CD LYS A 50 0.593 20.697 8.768 1.00 11.03 C ATOM 823 CE LYS A 50 -0.868 21.057 9.102 1.00 3.24 C ATOM 824 NZ LYS A 50 -1.819 20.588 8.056 1.00 21.51 N ATOM 0 H LYS A 50 1.731 17.322 6.340 1.00 64.12 H new ATOM 0 HA LYS A 50 2.329 20.165 6.630 1.00 63.14 H new ATOM 0 HB2 LYS A 50 2.430 17.736 8.491 1.00 11.21 H new ATOM 0 HB3 LYS A 50 2.977 19.325 8.989 1.00 11.21 H new ATOM 0 HG2 LYS A 50 0.141 18.705 8.048 1.00 14.02 H new ATOM 0 HG3 LYS A 50 0.634 18.756 9.729 1.00 14.02 H new ATOM 0 HD2 LYS A 50 1.253 21.156 9.504 1.00 11.03 H new ATOM 0 HD3 LYS A 50 0.854 21.120 7.798 1.00 11.03 H new ATOM 0 HE2 LYS A 50 -1.139 20.615 10.061 1.00 3.24 H new ATOM 0 HE3 LYS A 50 -0.957 22.138 9.213 1.00 3.24 H new ATOM 0 HZ1 LYS A 50 -2.767 20.968 8.253 1.00 21.51 H new ATOM 0 HZ2 LYS A 50 -1.500 20.920 7.123 1.00 21.51 H new ATOM 0 HZ3 LYS A 50 -1.855 19.549 8.060 1.00 21.51 H new ATOM 838 N GLN A 51 4.615 18.083 5.812 1.00 61.14 N ATOM 839 CA GLN A 51 6.055 17.813 5.555 1.00 33.33 C ATOM 840 C GLN A 51 6.797 17.437 6.854 1.00 0.21 C ATOM 841 O GLN A 51 8.009 17.664 6.970 1.00 62.13 O ATOM 842 CB GLN A 51 6.717 19.034 4.833 1.00 34.00 C ATOM 843 CG GLN A 51 6.296 19.204 3.362 1.00 20.11 C ATOM 844 CD GLN A 51 6.891 18.131 2.444 1.00 53.14 C ATOM 845 OE1 GLN A 51 6.313 17.063 2.246 1.00 44.20 O ATOM 846 NE2 GLN A 51 8.062 18.408 1.890 1.00 12.55 N ATOM 0 H GLN A 51 3.990 17.466 5.293 1.00 61.14 H new ATOM 0 HA GLN A 51 6.132 16.952 4.891 1.00 33.33 H new ATOM 0 HB2 GLN A 51 6.466 19.944 5.378 1.00 34.00 H new ATOM 0 HB3 GLN A 51 7.801 18.924 4.878 1.00 34.00 H new ATOM 0 HG2 GLN A 51 5.209 19.171 3.294 1.00 20.11 H new ATOM 0 HG3 GLN A 51 6.607 20.188 3.012 1.00 20.11 H new ATOM 0 HE21 GLN A 51 8.515 19.303 2.075 1.00 12.55 H new ATOM 0 HE22 GLN A 51 8.511 17.726 1.279 1.00 12.55 H new ATOM 855 N THR A 52 6.042 16.806 7.788 1.00 2.13 N ATOM 856 CA THR A 52 6.500 16.470 9.143 1.00 21.15 C ATOM 857 C THR A 52 6.848 17.768 9.939 1.00 70.31 C ATOM 858 O THR A 52 7.916 18.354 9.724 1.00 53.25 O ATOM 859 CB THR A 52 7.703 15.453 9.113 1.00 25.44 C ATOM 860 OG1 THR A 52 7.276 14.225 8.486 1.00 63.11 O ATOM 861 CG2 THR A 52 8.262 15.146 10.513 1.00 23.41 C ATOM 0 H THR A 52 5.081 16.515 7.609 1.00 2.13 H new ATOM 0 HA THR A 52 5.684 15.969 9.665 1.00 21.15 H new ATOM 0 HB THR A 52 8.506 15.920 8.542 1.00 25.44 H new ATOM 0 HG1 THR A 52 6.957 14.415 7.579 1.00 63.11 H new ATOM 0 HG21 THR A 52 9.088 14.440 10.428 1.00 23.41 H new ATOM 0 HG22 THR A 52 8.618 16.068 10.973 1.00 23.41 H new ATOM 0 HG23 THR A 52 7.476 14.712 11.131 1.00 23.41 H new ATOM 869 N PRO A 53 5.926 18.257 10.841 1.00 33.11 N ATOM 870 CA PRO A 53 6.142 19.511 11.624 1.00 50.41 C ATOM 871 C PRO A 53 7.430 19.428 12.474 1.00 73.24 C ATOM 872 O PRO A 53 7.534 18.517 13.271 1.00 24.04 O ATOM 873 CB PRO A 53 4.870 19.600 12.525 1.00 5.34 C ATOM 874 CG PRO A 53 3.846 18.753 11.825 1.00 12.42 C ATOM 875 CD PRO A 53 4.621 17.624 11.188 1.00 55.20 C ATOM 0 HA PRO A 53 6.274 20.389 10.991 1.00 50.41 H new ATOM 0 HB2 PRO A 53 5.070 19.229 13.530 1.00 5.34 H new ATOM 0 HB3 PRO A 53 4.529 20.630 12.627 1.00 5.34 H new ATOM 0 HG2 PRO A 53 3.105 18.372 12.528 1.00 12.42 H new ATOM 0 HG3 PRO A 53 3.306 19.330 11.075 1.00 12.42 H new ATOM 0 HD2 PRO A 53 4.750 16.787 11.874 1.00 55.20 H new ATOM 0 HD3 PRO A 53 4.114 17.237 10.304 1.00 55.20 H new ATOM 883 N PRO A 54 8.432 20.355 12.316 1.00 54.23 N ATOM 884 CA PRO A 54 9.739 20.271 13.043 1.00 72.30 C ATOM 885 C PRO A 54 9.627 20.364 14.587 1.00 31.03 C ATOM 886 O PRO A 54 10.616 20.129 15.295 1.00 41.52 O ATOM 887 CB PRO A 54 10.556 21.459 12.463 1.00 5.50 C ATOM 888 CG PRO A 54 9.879 21.783 11.165 1.00 71.21 C ATOM 889 CD PRO A 54 8.408 21.528 11.408 1.00 74.52 C ATOM 0 HA PRO A 54 10.203 19.296 12.891 1.00 72.30 H new ATOM 0 HB2 PRO A 54 10.548 22.314 13.139 1.00 5.50 H new ATOM 0 HB3 PRO A 54 11.600 21.185 12.309 1.00 5.50 H new ATOM 0 HG2 PRO A 54 10.056 22.819 10.877 1.00 71.21 H new ATOM 0 HG3 PRO A 54 10.258 21.158 10.357 1.00 71.21 H new ATOM 0 HD2 PRO A 54 7.918 22.387 11.867 1.00 74.52 H new ATOM 0 HD3 PRO A 54 7.875 21.314 10.482 1.00 74.52 H new ATOM 897 N GLY A 55 8.430 20.714 15.098 1.00 70.02 N ATOM 898 CA GLY A 55 8.173 20.752 16.539 1.00 20.31 C ATOM 899 C GLY A 55 7.898 19.365 17.126 1.00 23.44 C ATOM 900 O GLY A 55 6.805 19.106 17.641 1.00 32.12 O ATOM 0 H GLY A 55 7.627 20.974 14.526 1.00 70.02 H new ATOM 0 HA2 GLY A 55 9.031 21.193 17.046 1.00 20.31 H new ATOM 0 HA3 GLY A 55 7.319 21.401 16.735 1.00 20.31 H new ATOM 904 N ILE A 56 8.898 18.462 17.012 1.00 22.23 N ATOM 905 CA ILE A 56 8.836 17.079 17.525 1.00 32.21 C ATOM 906 C ILE A 56 9.980 16.886 18.538 1.00 23.12 C ATOM 907 O ILE A 56 11.158 16.952 18.158 1.00 30.32 O ATOM 908 CB ILE A 56 8.996 16.012 16.362 1.00 3.32 C ATOM 909 CG1 ILE A 56 7.999 16.264 15.192 1.00 64.20 C ATOM 910 CG2 ILE A 56 8.848 14.569 16.893 1.00 10.21 C ATOM 911 CD1 ILE A 56 6.530 16.284 15.573 1.00 73.33 C ATOM 0 H ILE A 56 9.783 18.679 16.554 1.00 22.23 H new ATOM 0 HA ILE A 56 7.862 16.926 17.990 1.00 32.21 H new ATOM 0 HB ILE A 56 10.006 16.132 15.969 1.00 3.32 H new ATOM 0 HG12 ILE A 56 8.248 17.217 14.726 1.00 64.20 H new ATOM 0 HG13 ILE A 56 8.150 15.492 14.438 1.00 64.20 H new ATOM 0 HG21 ILE A 56 8.963 13.865 16.069 1.00 10.21 H new ATOM 0 HG22 ILE A 56 9.614 14.377 17.644 1.00 10.21 H new ATOM 0 HG23 ILE A 56 7.862 14.445 17.341 1.00 10.21 H new ATOM 0 HD11 ILE A 56 5.926 16.467 14.684 1.00 73.33 H new ATOM 0 HD12 ILE A 56 6.254 15.324 16.008 1.00 73.33 H new ATOM 0 HD13 ILE A 56 6.354 17.076 16.301 1.00 73.33 H new ATOM 923 N THR A 57 9.633 16.671 19.817 1.00 73.24 N ATOM 924 CA THR A 57 10.614 16.329 20.863 1.00 45.11 C ATOM 925 C THR A 57 11.052 14.861 20.702 1.00 42.50 C ATOM 926 O THR A 57 10.368 14.086 20.026 1.00 35.12 O ATOM 927 CB THR A 57 10.018 16.558 22.291 1.00 62.15 C ATOM 928 OG1 THR A 57 11.030 16.358 23.294 1.00 22.44 O ATOM 929 CG2 THR A 57 8.819 15.634 22.581 1.00 73.53 C ATOM 0 H THR A 57 8.672 16.728 20.155 1.00 73.24 H new ATOM 0 HA THR A 57 11.480 16.982 20.751 1.00 45.11 H new ATOM 0 HB THR A 57 9.661 17.588 22.323 1.00 62.15 H new ATOM 0 HG1 THR A 57 10.644 16.506 24.182 1.00 22.44 H new ATOM 0 HG21 THR A 57 8.441 15.832 23.584 1.00 73.53 H new ATOM 0 HG22 THR A 57 8.030 15.822 21.853 1.00 73.53 H new ATOM 0 HG23 THR A 57 9.136 14.594 22.511 1.00 73.53 H new ATOM 937 N ARG A 58 12.144 14.474 21.385 1.00 74.43 N ATOM 938 CA ARG A 58 12.769 13.137 21.216 1.00 21.10 C ATOM 939 C ARG A 58 11.864 11.991 21.733 1.00 33.02 C ATOM 940 O ARG A 58 12.014 10.842 21.303 1.00 53.23 O ATOM 941 CB ARG A 58 14.179 13.069 21.887 1.00 1.13 C ATOM 942 CG ARG A 58 14.223 13.007 23.440 1.00 63.41 C ATOM 943 CD ARG A 58 13.665 14.255 24.143 1.00 24.32 C ATOM 944 NE ARG A 58 14.300 15.498 23.667 1.00 45.41 N ATOM 945 CZ ARG A 58 14.158 16.712 24.237 1.00 32.54 C ATOM 946 NH1 ARG A 58 13.413 16.878 25.333 1.00 23.02 N ATOM 947 NH2 ARG A 58 14.762 17.762 23.694 1.00 4.23 N ATOM 0 H ARG A 58 12.619 15.068 22.065 1.00 74.43 H new ATOM 0 HA ARG A 58 12.895 12.994 20.143 1.00 21.10 H new ATOM 0 HB2 ARG A 58 14.696 12.192 21.499 1.00 1.13 H new ATOM 0 HB3 ARG A 58 14.748 13.942 21.567 1.00 1.13 H new ATOM 0 HG2 ARG A 58 13.659 12.135 23.772 1.00 63.41 H new ATOM 0 HG3 ARG A 58 15.255 12.858 23.756 1.00 63.41 H new ATOM 0 HD2 ARG A 58 12.589 14.313 23.976 1.00 24.32 H new ATOM 0 HD3 ARG A 58 13.816 14.161 25.218 1.00 24.32 H new ATOM 0 HE ARG A 58 14.894 15.434 22.840 1.00 45.41 H new ATOM 0 HH11 ARG A 58 12.939 16.079 25.754 1.00 23.02 H new ATOM 0 HH12 ARG A 58 13.318 17.804 25.749 1.00 23.02 H new ATOM 0 HH21 ARG A 58 15.327 17.647 22.853 1.00 4.23 H new ATOM 0 HH22 ARG A 58 14.661 18.684 24.118 1.00 4.23 H new ATOM 961 N SER A 59 10.907 12.329 22.614 1.00 61.21 N ATOM 962 CA SER A 59 9.917 11.369 23.132 1.00 51.44 C ATOM 963 C SER A 59 8.933 10.963 22.012 1.00 72.31 C ATOM 964 O SER A 59 8.764 9.774 21.715 1.00 24.31 O ATOM 965 CB SER A 59 9.167 12.001 24.324 1.00 2.10 C ATOM 966 OG SER A 59 8.233 11.096 24.882 1.00 63.12 O ATOM 0 H SER A 59 10.798 13.272 22.986 1.00 61.21 H new ATOM 0 HA SER A 59 10.426 10.468 23.475 1.00 51.44 H new ATOM 0 HB2 SER A 59 9.883 12.304 25.087 1.00 2.10 H new ATOM 0 HB3 SER A 59 8.651 12.903 23.995 1.00 2.10 H new ATOM 0 HG SER A 59 7.774 11.523 25.636 1.00 63.12 H new ATOM 972 N ILE A 60 8.344 11.987 21.364 1.00 44.40 N ATOM 973 CA ILE A 60 7.376 11.822 20.263 1.00 11.13 C ATOM 974 C ILE A 60 8.069 11.196 19.040 1.00 34.43 C ATOM 975 O ILE A 60 7.533 10.284 18.414 1.00 35.13 O ATOM 976 CB ILE A 60 6.741 13.213 19.888 1.00 55.22 C ATOM 977 CG1 ILE A 60 5.952 13.779 21.109 1.00 42.45 C ATOM 978 CG2 ILE A 60 5.842 13.115 18.630 1.00 3.43 C ATOM 979 CD1 ILE A 60 5.431 15.188 20.924 1.00 61.51 C ATOM 0 H ILE A 60 8.530 12.963 21.594 1.00 44.40 H new ATOM 0 HA ILE A 60 6.578 11.154 20.588 1.00 11.13 H new ATOM 0 HB ILE A 60 7.548 13.903 19.641 1.00 55.22 H new ATOM 0 HG12 ILE A 60 5.110 13.119 21.319 1.00 42.45 H new ATOM 0 HG13 ILE A 60 6.600 13.757 21.985 1.00 42.45 H new ATOM 0 HG21 ILE A 60 5.423 14.096 18.405 1.00 3.43 H new ATOM 0 HG22 ILE A 60 6.437 12.771 17.784 1.00 3.43 H new ATOM 0 HG23 ILE A 60 5.033 12.409 18.815 1.00 3.43 H new ATOM 0 HD11 ILE A 60 4.896 15.499 21.821 1.00 61.51 H new ATOM 0 HD12 ILE A 60 6.267 15.865 20.747 1.00 61.51 H new ATOM 0 HD13 ILE A 60 4.754 15.216 20.070 1.00 61.51 H new ATOM 991 N GLN A 61 9.280 11.710 18.764 1.00 51.42 N ATOM 992 CA GLN A 61 10.205 11.225 17.723 1.00 74.41 C ATOM 993 C GLN A 61 10.395 9.703 17.806 1.00 23.11 C ATOM 994 O GLN A 61 10.255 9.009 16.804 1.00 12.04 O ATOM 995 CB GLN A 61 11.554 11.965 17.917 1.00 64.55 C ATOM 996 CG GLN A 61 12.741 11.483 17.077 1.00 62.43 C ATOM 997 CD GLN A 61 14.032 12.232 17.435 1.00 3.13 C ATOM 998 OE1 GLN A 61 14.774 11.818 18.326 1.00 73.22 O ATOM 999 NE2 GLN A 61 14.294 13.346 16.769 1.00 62.34 N ATOM 0 H GLN A 61 9.657 12.506 19.279 1.00 51.42 H new ATOM 0 HA GLN A 61 9.796 11.431 16.734 1.00 74.41 H new ATOM 0 HB2 GLN A 61 11.394 13.022 17.702 1.00 64.55 H new ATOM 0 HB3 GLN A 61 11.832 11.892 18.968 1.00 64.55 H new ATOM 0 HG2 GLN A 61 12.886 10.414 17.232 1.00 62.43 H new ATOM 0 HG3 GLN A 61 12.520 11.625 16.019 1.00 62.43 H new ATOM 0 HE21 GLN A 61 13.660 13.663 16.036 1.00 62.34 H new ATOM 0 HE22 GLN A 61 15.130 13.887 16.989 1.00 62.34 H new ATOM 1008 N ASP A 62 10.662 9.205 19.030 1.00 74.52 N ATOM 1009 CA ASP A 62 10.917 7.774 19.272 1.00 11.41 C ATOM 1010 C ASP A 62 9.630 6.928 19.118 1.00 31.41 C ATOM 1011 O ASP A 62 9.687 5.823 18.561 1.00 73.35 O ATOM 1012 CB ASP A 62 11.559 7.570 20.666 1.00 0.01 C ATOM 1013 CG ASP A 62 11.947 6.103 20.943 1.00 24.15 C ATOM 1014 OD1 ASP A 62 11.197 5.386 21.650 1.00 73.14 O ATOM 1015 OD2 ASP A 62 12.999 5.650 20.437 1.00 12.44 O ATOM 0 H ASP A 62 10.706 9.780 19.871 1.00 74.52 H new ATOM 0 HA ASP A 62 11.619 7.426 18.514 1.00 11.41 H new ATOM 0 HB2 ASP A 62 12.448 8.196 20.746 1.00 0.01 H new ATOM 0 HB3 ASP A 62 10.862 7.907 21.433 1.00 0.01 H new ATOM 1020 N MET A 63 8.472 7.459 19.590 1.00 34.32 N ATOM 1021 CA MET A 63 7.159 6.759 19.470 1.00 61.10 C ATOM 1022 C MET A 63 6.811 6.523 17.990 1.00 63.32 C ATOM 1023 O MET A 63 6.690 5.377 17.528 1.00 14.52 O ATOM 1024 CB MET A 63 5.982 7.556 20.115 1.00 70.15 C ATOM 1025 CG MET A 63 6.130 7.904 21.592 1.00 34.33 C ATOM 1026 SD MET A 63 4.594 8.573 22.295 1.00 44.01 S ATOM 1027 CE MET A 63 4.180 9.907 21.160 1.00 41.14 C ATOM 0 H MET A 63 8.417 8.365 20.056 1.00 34.32 H new ATOM 0 HA MET A 63 7.274 5.816 20.005 1.00 61.10 H new ATOM 0 HB2 MET A 63 5.850 8.483 19.557 1.00 70.15 H new ATOM 0 HB3 MET A 63 5.067 6.976 19.990 1.00 70.15 H new ATOM 0 HG2 MET A 63 6.423 7.012 22.146 1.00 34.33 H new ATOM 0 HG3 MET A 63 6.931 8.633 21.714 1.00 34.33 H new ATOM 0 HE1 MET A 63 3.115 10.129 21.232 1.00 41.14 H new ATOM 0 HE2 MET A 63 4.755 10.796 21.419 1.00 41.14 H new ATOM 0 HE3 MET A 63 4.419 9.605 20.140 1.00 41.14 H new ATOM 1037 N VAL A 64 6.673 7.645 17.261 1.00 32.12 N ATOM 1038 CA VAL A 64 6.274 7.647 15.851 1.00 12.43 C ATOM 1039 C VAL A 64 7.283 6.914 14.962 1.00 13.23 C ATOM 1040 O VAL A 64 6.882 6.302 13.992 1.00 71.14 O ATOM 1041 CB VAL A 64 6.029 9.094 15.305 1.00 51.51 C ATOM 1042 CG1 VAL A 64 4.952 9.825 16.143 1.00 53.55 C ATOM 1043 CG2 VAL A 64 7.342 9.905 15.225 1.00 61.13 C ATOM 0 H VAL A 64 6.837 8.578 17.640 1.00 32.12 H new ATOM 0 HA VAL A 64 5.329 7.105 15.811 1.00 12.43 H new ATOM 0 HB VAL A 64 5.652 9.005 14.286 1.00 51.51 H new ATOM 0 HG11 VAL A 64 4.800 10.828 15.744 1.00 53.55 H new ATOM 0 HG12 VAL A 64 4.015 9.270 16.096 1.00 53.55 H new ATOM 0 HG13 VAL A 64 5.282 9.893 17.180 1.00 53.55 H new ATOM 0 HG21 VAL A 64 7.130 10.903 14.842 1.00 61.13 H new ATOM 0 HG22 VAL A 64 7.782 9.984 16.219 1.00 61.13 H new ATOM 0 HG23 VAL A 64 8.041 9.401 14.558 1.00 61.13 H new ATOM 1053 N ALA A 65 8.585 6.965 15.315 1.00 53.01 N ATOM 1054 CA ALA A 65 9.629 6.241 14.574 1.00 41.34 C ATOM 1055 C ALA A 65 9.458 4.724 14.745 1.00 43.44 C ATOM 1056 O ALA A 65 9.722 3.967 13.819 1.00 73.41 O ATOM 1057 CB ALA A 65 11.023 6.684 15.014 1.00 24.02 C ATOM 0 H ALA A 65 8.934 7.501 16.109 1.00 53.01 H new ATOM 0 HA ALA A 65 9.522 6.481 13.516 1.00 41.34 H new ATOM 0 HB1 ALA A 65 11.775 6.132 14.450 1.00 24.02 H new ATOM 0 HB2 ALA A 65 11.141 7.752 14.829 1.00 24.02 H new ATOM 0 HB3 ALA A 65 11.149 6.485 16.078 1.00 24.02 H new ATOM 1063 N GLY A 66 8.982 4.296 15.938 1.00 33.23 N ATOM 1064 CA GLY A 66 8.574 2.901 16.150 1.00 71.22 C ATOM 1065 C GLY A 66 7.423 2.501 15.227 1.00 52.32 C ATOM 1066 O GLY A 66 7.430 1.413 14.647 1.00 75.04 O ATOM 0 H GLY A 66 8.874 4.895 16.756 1.00 33.23 H new ATOM 0 HA2 GLY A 66 9.425 2.243 15.976 1.00 71.22 H new ATOM 0 HA3 GLY A 66 8.272 2.764 17.188 1.00 71.22 H new ATOM 1070 N TYR A 67 6.458 3.425 15.058 1.00 34.54 N ATOM 1071 CA TYR A 67 5.304 3.235 14.154 1.00 1.20 C ATOM 1072 C TYR A 67 5.711 3.231 12.658 1.00 75.34 C ATOM 1073 O TYR A 67 5.143 2.465 11.863 1.00 45.14 O ATOM 1074 CB TYR A 67 4.233 4.321 14.422 1.00 13.03 C ATOM 1075 CG TYR A 67 3.551 4.198 15.799 1.00 32.24 C ATOM 1076 CD1 TYR A 67 3.585 5.238 16.736 1.00 32.53 C ATOM 1077 CD2 TYR A 67 2.872 3.031 16.152 1.00 55.14 C ATOM 1078 CE1 TYR A 67 2.962 5.118 17.965 1.00 1.14 C ATOM 1079 CE2 TYR A 67 2.252 2.909 17.375 1.00 1.42 C ATOM 1080 CZ TYR A 67 2.295 3.945 18.276 1.00 61.11 C ATOM 1081 OH TYR A 67 1.649 3.807 19.484 1.00 35.20 O ATOM 0 H TYR A 67 6.455 4.323 15.542 1.00 34.54 H new ATOM 0 HA TYR A 67 4.886 2.251 14.368 1.00 1.20 H new ATOM 0 HB2 TYR A 67 4.698 5.304 14.344 1.00 13.03 H new ATOM 0 HB3 TYR A 67 3.472 4.267 13.644 1.00 13.03 H new ATOM 0 HD1 TYR A 67 4.108 6.152 16.494 1.00 32.53 H new ATOM 0 HD2 TYR A 67 2.832 2.209 15.453 1.00 55.14 H new ATOM 0 HE1 TYR A 67 2.995 5.931 18.675 1.00 1.14 H new ATOM 0 HE2 TYR A 67 1.731 1.997 17.627 1.00 1.42 H new ATOM 0 HH TYR A 67 1.234 2.921 19.533 1.00 35.20 H new ATOM 1091 N ILE A 68 6.700 4.074 12.283 1.00 72.31 N ATOM 1092 CA ILE A 68 7.201 4.145 10.894 1.00 43.00 C ATOM 1093 C ILE A 68 7.990 2.862 10.580 1.00 4.32 C ATOM 1094 O ILE A 68 7.881 2.311 9.496 1.00 31.13 O ATOM 1095 CB ILE A 68 8.116 5.401 10.606 1.00 54.41 C ATOM 1096 CG1 ILE A 68 7.399 6.728 10.984 1.00 54.21 C ATOM 1097 CG2 ILE A 68 8.541 5.440 9.111 1.00 10.25 C ATOM 1098 CD1 ILE A 68 8.247 7.981 10.820 1.00 4.23 C ATOM 0 H ILE A 68 7.167 4.715 12.925 1.00 72.31 H new ATOM 0 HA ILE A 68 6.326 4.246 10.251 1.00 43.00 H new ATOM 0 HB ILE A 68 9.006 5.304 11.228 1.00 54.41 H new ATOM 0 HG12 ILE A 68 6.504 6.829 10.370 1.00 54.21 H new ATOM 0 HG13 ILE A 68 7.068 6.663 12.021 1.00 54.21 H new ATOM 0 HG21 ILE A 68 9.170 6.312 8.934 1.00 10.25 H new ATOM 0 HG22 ILE A 68 9.098 4.535 8.867 1.00 10.25 H new ATOM 0 HG23 ILE A 68 7.653 5.500 8.482 1.00 10.25 H new ATOM 0 HD11 ILE A 68 7.663 8.856 11.107 1.00 4.23 H new ATOM 0 HD12 ILE A 68 9.129 7.909 11.456 1.00 4.23 H new ATOM 0 HD13 ILE A 68 8.557 8.077 9.779 1.00 4.23 H new ATOM 1110 N LYS A 69 8.755 2.384 11.576 1.00 1.01 N ATOM 1111 CA LYS A 69 9.532 1.135 11.484 1.00 21.34 C ATOM 1112 C LYS A 69 8.584 -0.043 11.163 1.00 64.55 C ATOM 1113 O LYS A 69 8.854 -0.849 10.258 1.00 52.34 O ATOM 1114 CB LYS A 69 10.315 0.937 12.825 1.00 30.31 C ATOM 1115 CG LYS A 69 11.340 -0.232 12.888 1.00 41.11 C ATOM 1116 CD LYS A 69 10.721 -1.627 13.155 1.00 25.11 C ATOM 1117 CE LYS A 69 9.960 -1.692 14.492 1.00 61.31 C ATOM 1118 NZ LYS A 69 9.314 -3.017 14.702 1.00 22.23 N ATOM 0 H LYS A 69 8.853 2.857 12.475 1.00 1.01 H new ATOM 0 HA LYS A 69 10.261 1.182 10.675 1.00 21.34 H new ATOM 0 HB2 LYS A 69 10.846 1.863 13.045 1.00 30.31 H new ATOM 0 HB3 LYS A 69 9.586 0.790 13.622 1.00 30.31 H new ATOM 0 HG2 LYS A 69 11.887 -0.267 11.946 1.00 41.11 H new ATOM 0 HG3 LYS A 69 12.067 -0.017 13.671 1.00 41.11 H new ATOM 0 HD2 LYS A 69 10.041 -1.880 12.342 1.00 25.11 H new ATOM 0 HD3 LYS A 69 11.512 -2.377 13.155 1.00 25.11 H new ATOM 0 HE2 LYS A 69 10.650 -1.491 15.312 1.00 61.31 H new ATOM 0 HE3 LYS A 69 9.200 -0.911 14.515 1.00 61.31 H new ATOM 0 HZ1 LYS A 69 8.813 -3.018 15.613 1.00 22.23 H new ATOM 0 HZ2 LYS A 69 8.637 -3.199 13.934 1.00 22.23 H new ATOM 0 HZ3 LYS A 69 10.041 -3.761 14.706 1.00 22.23 H new ATOM 1132 N GLN A 70 7.455 -0.091 11.895 1.00 14.13 N ATOM 1133 CA GLN A 70 6.418 -1.119 11.708 1.00 21.13 C ATOM 1134 C GLN A 70 5.747 -1.009 10.329 1.00 3.21 C ATOM 1135 O GLN A 70 5.521 -2.027 9.667 1.00 72.34 O ATOM 1136 CB GLN A 70 5.347 -1.033 12.824 1.00 41.43 C ATOM 1137 CG GLN A 70 5.847 -1.394 14.239 1.00 23.30 C ATOM 1138 CD GLN A 70 4.734 -1.439 15.296 1.00 53.35 C ATOM 1139 OE1 GLN A 70 3.538 -1.886 14.915 1.00 44.20 O flip ATOM 1140 NE2 GLN A 70 4.951 -1.105 16.462 1.00 2.24 N flip ATOM 0 H GLN A 70 7.238 0.581 12.631 1.00 14.13 H new ATOM 0 HA GLN A 70 6.915 -2.087 11.766 1.00 21.13 H new ATOM 0 HB2 GLN A 70 4.946 -0.020 12.844 1.00 41.43 H new ATOM 0 HB3 GLN A 70 4.522 -1.697 12.566 1.00 41.43 H new ATOM 0 HG2 GLN A 70 6.341 -2.365 14.203 1.00 23.30 H new ATOM 0 HG3 GLN A 70 6.598 -0.666 14.546 1.00 23.30 H new ATOM 0 HE21 GLN A 70 5.874 -0.766 16.732 1.00 2.24 H new ATOM 0 HE22 GLN A 70 4.207 -1.168 17.157 1.00 2.24 H new ATOM 1149 N THR A 71 5.445 0.233 9.896 1.00 11.23 N ATOM 1150 CA THR A 71 4.712 0.458 8.644 1.00 4.41 C ATOM 1151 C THR A 71 5.605 0.157 7.420 1.00 35.44 C ATOM 1152 O THR A 71 5.116 -0.343 6.418 1.00 30.54 O ATOM 1153 CB THR A 71 4.085 1.899 8.574 1.00 63.51 C ATOM 1154 OG1 THR A 71 2.990 1.902 7.666 1.00 2.51 O ATOM 1155 CG2 THR A 71 5.066 2.998 8.137 1.00 61.12 C ATOM 0 H THR A 71 5.698 1.086 10.395 1.00 11.23 H new ATOM 0 HA THR A 71 3.876 -0.241 8.624 1.00 4.41 H new ATOM 0 HB THR A 71 3.775 2.130 9.593 1.00 63.51 H new ATOM 0 HG1 THR A 71 2.992 2.737 7.153 1.00 2.51 H new ATOM 0 HG21 THR A 71 4.551 3.958 8.116 1.00 61.12 H new ATOM 0 HG22 THR A 71 5.896 3.047 8.842 1.00 61.12 H new ATOM 0 HG23 THR A 71 5.449 2.770 7.142 1.00 61.12 H new ATOM 1163 N LEU A 72 6.928 0.421 7.553 1.00 42.31 N ATOM 1164 CA LEU A 72 7.938 0.113 6.509 1.00 44.02 C ATOM 1165 C LEU A 72 8.061 -1.395 6.317 1.00 55.33 C ATOM 1166 O LEU A 72 8.133 -1.882 5.193 1.00 32.32 O ATOM 1167 CB LEU A 72 9.334 0.688 6.893 1.00 61.30 C ATOM 1168 CG LEU A 72 9.476 2.235 6.834 1.00 24.34 C ATOM 1169 CD1 LEU A 72 10.829 2.689 7.421 1.00 3.54 C ATOM 1170 CD2 LEU A 72 9.286 2.741 5.393 1.00 10.42 C ATOM 0 H LEU A 72 7.325 0.853 8.387 1.00 42.31 H new ATOM 0 HA LEU A 72 7.604 0.577 5.581 1.00 44.02 H new ATOM 0 HB2 LEU A 72 9.574 0.360 7.904 1.00 61.30 H new ATOM 0 HB3 LEU A 72 10.080 0.249 6.230 1.00 61.30 H new ATOM 0 HG LEU A 72 8.691 2.676 7.448 1.00 24.34 H new ATOM 0 HD11 LEU A 72 10.903 3.775 7.368 1.00 3.54 H new ATOM 0 HD12 LEU A 72 10.899 2.371 8.461 1.00 3.54 H new ATOM 0 HD13 LEU A 72 11.642 2.242 6.849 1.00 3.54 H new ATOM 0 HD21 LEU A 72 9.389 3.826 5.372 1.00 10.42 H new ATOM 0 HD22 LEU A 72 10.041 2.292 4.747 1.00 10.42 H new ATOM 0 HD23 LEU A 72 8.293 2.464 5.038 1.00 10.42 H new ATOM 1182 N ASP A 73 8.105 -2.099 7.461 1.00 72.45 N ATOM 1183 CA ASP A 73 8.166 -3.563 7.527 1.00 72.23 C ATOM 1184 C ASP A 73 7.001 -4.187 6.741 1.00 70.32 C ATOM 1185 O ASP A 73 7.222 -4.904 5.762 1.00 53.20 O ATOM 1186 CB ASP A 73 8.132 -4.011 9.014 1.00 11.43 C ATOM 1187 CG ASP A 73 7.986 -5.534 9.202 1.00 41.33 C ATOM 1188 OD1 ASP A 73 6.842 -6.019 9.381 1.00 32.33 O ATOM 1189 OD2 ASP A 73 9.012 -6.251 9.181 1.00 35.13 O ATOM 0 H ASP A 73 8.099 -1.656 8.380 1.00 72.45 H new ATOM 0 HA ASP A 73 9.095 -3.907 7.073 1.00 72.23 H new ATOM 0 HB2 ASP A 73 9.047 -3.680 9.504 1.00 11.43 H new ATOM 0 HB3 ASP A 73 7.303 -3.511 9.515 1.00 11.43 H new ATOM 1194 N ASN A 74 5.767 -3.841 7.154 1.00 53.01 N ATOM 1195 CA ASN A 74 4.538 -4.410 6.580 1.00 30.34 C ATOM 1196 C ASN A 74 4.398 -4.065 5.088 1.00 35.40 C ATOM 1197 O ASN A 74 4.050 -4.925 4.283 1.00 12.35 O ATOM 1198 CB ASN A 74 3.296 -3.897 7.343 1.00 33.30 C ATOM 1199 CG ASN A 74 3.295 -4.194 8.851 1.00 41.20 C ATOM 1200 OD1 ASN A 74 3.901 -5.293 9.286 1.00 44.42 O flip ATOM 1201 ND2 ASN A 74 2.744 -3.427 9.631 1.00 53.31 N flip ATOM 0 H ASN A 74 5.597 -3.160 7.894 1.00 53.01 H new ATOM 0 HA ASN A 74 4.606 -5.493 6.679 1.00 30.34 H new ATOM 0 HB2 ASN A 74 3.219 -2.819 7.200 1.00 33.30 H new ATOM 0 HB3 ASN A 74 2.405 -4.342 6.899 1.00 33.30 H new ATOM 0 HD21 ASN A 74 2.283 -2.587 9.281 1.00 53.31 H new ATOM 0 HD22 ASN A 74 2.746 -3.628 10.631 1.00 53.31 H new ATOM 1208 N GLU A 75 4.703 -2.806 4.744 1.00 5.33 N ATOM 1209 CA GLU A 75 4.547 -2.265 3.380 1.00 23.13 C ATOM 1210 C GLU A 75 5.618 -2.813 2.412 1.00 61.24 C ATOM 1211 O GLU A 75 5.398 -2.882 1.199 1.00 40.40 O ATOM 1212 CB GLU A 75 4.558 -0.722 3.472 1.00 31.52 C ATOM 1213 CG GLU A 75 4.328 0.040 2.164 1.00 63.14 C ATOM 1214 CD GLU A 75 4.042 1.531 2.398 1.00 42.35 C ATOM 1215 OE1 GLU A 75 2.871 1.955 2.244 1.00 55.23 O ATOM 1216 OE2 GLU A 75 4.962 2.275 2.779 1.00 63.41 O ATOM 0 H GLU A 75 5.069 -2.125 5.409 1.00 5.33 H new ATOM 0 HA GLU A 75 3.596 -2.591 2.959 1.00 23.13 H new ATOM 0 HB2 GLU A 75 3.792 -0.417 4.184 1.00 31.52 H new ATOM 0 HB3 GLU A 75 5.518 -0.411 3.884 1.00 31.52 H new ATOM 0 HG2 GLU A 75 5.207 -0.063 1.527 1.00 63.14 H new ATOM 0 HG3 GLU A 75 3.491 -0.408 1.628 1.00 63.14 H new ATOM 1223 N GLN A 76 6.759 -3.235 2.973 1.00 63.13 N ATOM 1224 CA GLN A 76 7.828 -3.921 2.218 1.00 34.51 C ATOM 1225 C GLN A 76 7.428 -5.378 1.927 1.00 72.23 C ATOM 1226 O GLN A 76 7.756 -5.940 0.872 1.00 54.45 O ATOM 1227 CB GLN A 76 9.138 -3.863 3.029 1.00 1.23 C ATOM 1228 CG GLN A 76 10.365 -4.497 2.353 1.00 13.42 C ATOM 1229 CD GLN A 76 11.655 -4.352 3.165 1.00 63.03 C ATOM 1230 OE1 GLN A 76 11.556 -4.373 4.492 1.00 12.34 O flip ATOM 1231 NE2 GLN A 76 12.742 -4.247 2.607 1.00 53.04 N flip ATOM 0 H GLN A 76 6.972 -3.113 3.963 1.00 63.13 H new ATOM 0 HA GLN A 76 7.979 -3.419 1.262 1.00 34.51 H new ATOM 0 HB2 GLN A 76 9.364 -2.819 3.247 1.00 1.23 H new ATOM 0 HB3 GLN A 76 8.975 -4.360 3.985 1.00 1.23 H new ATOM 0 HG2 GLN A 76 10.169 -5.556 2.183 1.00 13.42 H new ATOM 0 HG3 GLN A 76 10.508 -4.038 1.375 1.00 13.42 H new ATOM 0 HE21 GLN A 76 12.793 -4.233 1.588 1.00 53.04 H new ATOM 0 HE22 GLN A 76 13.595 -4.174 3.162 1.00 53.04 H new ATOM 1240 N LEU A 77 6.706 -5.980 2.882 1.00 62.51 N ATOM 1241 CA LEU A 77 6.148 -7.334 2.731 1.00 54.15 C ATOM 1242 C LEU A 77 4.947 -7.316 1.759 1.00 33.13 C ATOM 1243 O LEU A 77 4.686 -8.304 1.078 1.00 24.25 O ATOM 1244 CB LEU A 77 5.749 -7.896 4.118 1.00 63.22 C ATOM 1245 CG LEU A 77 6.904 -7.997 5.165 1.00 1.42 C ATOM 1246 CD1 LEU A 77 6.374 -8.453 6.540 1.00 3.11 C ATOM 1247 CD2 LEU A 77 8.042 -8.910 4.661 1.00 12.52 C ATOM 0 H LEU A 77 6.492 -5.545 3.779 1.00 62.51 H new ATOM 0 HA LEU A 77 6.906 -7.991 2.305 1.00 54.15 H new ATOM 0 HB2 LEU A 77 4.962 -7.266 4.532 1.00 63.22 H new ATOM 0 HB3 LEU A 77 5.322 -8.889 3.978 1.00 63.22 H new ATOM 0 HG LEU A 77 7.323 -6.999 5.293 1.00 1.42 H new ATOM 0 HD11 LEU A 77 7.201 -8.514 7.247 1.00 3.11 H new ATOM 0 HD12 LEU A 77 5.639 -7.735 6.903 1.00 3.11 H new ATOM 0 HD13 LEU A 77 5.907 -9.433 6.443 1.00 3.11 H new ATOM 0 HD21 LEU A 77 8.830 -8.959 5.413 1.00 12.52 H new ATOM 0 HD22 LEU A 77 7.652 -9.911 4.479 1.00 12.52 H new ATOM 0 HD23 LEU A 77 8.450 -8.506 3.734 1.00 12.52 H new ATOM 1259 N LEU A 78 4.236 -6.165 1.703 1.00 22.12 N ATOM 1260 CA LEU A 78 3.189 -5.907 0.688 1.00 43.34 C ATOM 1261 C LEU A 78 3.832 -5.794 -0.694 1.00 44.13 C ATOM 1262 O LEU A 78 3.323 -6.336 -1.659 1.00 53.41 O ATOM 1263 CB LEU A 78 2.419 -4.592 0.982 1.00 52.21 C ATOM 1264 CG LEU A 78 1.585 -4.547 2.289 1.00 25.10 C ATOM 1265 CD1 LEU A 78 1.050 -3.122 2.530 1.00 11.24 C ATOM 1266 CD2 LEU A 78 0.447 -5.590 2.263 1.00 10.22 C ATOM 0 H LEU A 78 4.371 -5.394 2.357 1.00 22.12 H new ATOM 0 HA LEU A 78 2.486 -6.739 0.721 1.00 43.34 H new ATOM 0 HB2 LEU A 78 3.140 -3.775 1.011 1.00 52.21 H new ATOM 0 HB3 LEU A 78 1.749 -4.396 0.145 1.00 52.21 H new ATOM 0 HG LEU A 78 2.234 -4.809 3.124 1.00 25.10 H new ATOM 0 HD11 LEU A 78 0.466 -3.103 3.450 1.00 11.24 H new ATOM 0 HD12 LEU A 78 1.887 -2.429 2.617 1.00 11.24 H new ATOM 0 HD13 LEU A 78 0.418 -2.824 1.693 1.00 11.24 H new ATOM 0 HD21 LEU A 78 -0.119 -5.534 3.193 1.00 10.22 H new ATOM 0 HD22 LEU A 78 -0.215 -5.385 1.422 1.00 10.22 H new ATOM 0 HD23 LEU A 78 0.871 -6.588 2.156 1.00 10.22 H new ATOM 1278 N LYS A 79 4.966 -5.076 -0.751 1.00 42.33 N ATOM 1279 CA LYS A 79 5.743 -4.881 -1.983 1.00 62.43 C ATOM 1280 C LYS A 79 6.064 -6.243 -2.627 1.00 51.44 C ATOM 1281 O LYS A 79 5.731 -6.472 -3.782 1.00 12.11 O ATOM 1282 CB LYS A 79 7.048 -4.110 -1.668 1.00 71.34 C ATOM 1283 CG LYS A 79 7.933 -3.798 -2.892 1.00 0.12 C ATOM 1284 CD LYS A 79 9.314 -3.243 -2.487 1.00 62.40 C ATOM 1285 CE LYS A 79 10.166 -2.852 -3.699 1.00 63.31 C ATOM 1286 NZ LYS A 79 9.560 -1.731 -4.466 1.00 14.25 N ATOM 0 H LYS A 79 5.371 -4.612 0.062 1.00 42.33 H new ATOM 0 HA LYS A 79 5.153 -4.295 -2.687 1.00 62.43 H new ATOM 0 HB2 LYS A 79 6.788 -3.172 -1.178 1.00 71.34 H new ATOM 0 HB3 LYS A 79 7.632 -4.691 -0.955 1.00 71.34 H new ATOM 0 HG2 LYS A 79 8.067 -4.705 -3.482 1.00 0.12 H new ATOM 0 HG3 LYS A 79 7.426 -3.074 -3.530 1.00 0.12 H new ATOM 0 HD2 LYS A 79 9.178 -2.372 -1.846 1.00 62.40 H new ATOM 0 HD3 LYS A 79 9.845 -3.992 -1.900 1.00 62.40 H new ATOM 0 HE2 LYS A 79 11.163 -2.565 -3.364 1.00 63.31 H new ATOM 0 HE3 LYS A 79 10.285 -3.716 -4.353 1.00 63.31 H new ATOM 0 HZ1 LYS A 79 10.247 -1.374 -5.160 1.00 14.25 H new ATOM 0 HZ2 LYS A 79 8.711 -2.069 -4.962 1.00 14.25 H new ATOM 0 HZ3 LYS A 79 9.298 -0.965 -3.813 1.00 14.25 H new ATOM 1300 N GLY A 80 6.640 -7.157 -1.824 1.00 75.11 N ATOM 1301 CA GLY A 80 6.999 -8.498 -2.295 1.00 63.54 C ATOM 1302 C GLY A 80 5.789 -9.366 -2.665 1.00 14.41 C ATOM 1303 O GLY A 80 5.713 -9.887 -3.787 1.00 34.33 O ATOM 0 H GLY A 80 6.865 -6.986 -0.844 1.00 75.11 H new ATOM 0 HA2 GLY A 80 7.649 -8.406 -3.165 1.00 63.54 H new ATOM 0 HA3 GLY A 80 7.574 -9.004 -1.520 1.00 63.54 H new ATOM 1307 N LEU A 81 4.832 -9.474 -1.729 1.00 44.31 N ATOM 1308 CA LEU A 81 3.671 -10.386 -1.841 1.00 54.42 C ATOM 1309 C LEU A 81 2.768 -9.964 -3.018 1.00 54.31 C ATOM 1310 O LEU A 81 2.420 -10.789 -3.876 1.00 65.15 O ATOM 1311 CB LEU A 81 2.903 -10.390 -0.479 1.00 43.14 C ATOM 1312 CG LEU A 81 1.855 -11.536 -0.202 1.00 53.34 C ATOM 1313 CD1 LEU A 81 1.524 -11.618 1.306 1.00 64.51 C ATOM 1314 CD2 LEU A 81 0.546 -11.366 -1.011 1.00 4.23 C ATOM 0 H LEU A 81 4.838 -8.930 -0.866 1.00 44.31 H new ATOM 0 HA LEU A 81 4.006 -11.402 -2.051 1.00 54.42 H new ATOM 0 HB2 LEU A 81 3.645 -10.422 0.319 1.00 43.14 H new ATOM 0 HB3 LEU A 81 2.381 -9.437 -0.391 1.00 43.14 H new ATOM 0 HG LEU A 81 2.323 -12.464 -0.530 1.00 53.34 H new ATOM 0 HD11 LEU A 81 0.800 -12.414 1.477 1.00 64.51 H new ATOM 0 HD12 LEU A 81 2.434 -11.829 1.867 1.00 64.51 H new ATOM 0 HD13 LEU A 81 1.105 -10.668 1.639 1.00 64.51 H new ATOM 0 HD21 LEU A 81 -0.135 -12.185 -0.778 1.00 4.23 H new ATOM 0 HD22 LEU A 81 0.077 -10.418 -0.749 1.00 4.23 H new ATOM 0 HD23 LEU A 81 0.773 -11.376 -2.077 1.00 4.23 H new ATOM 1326 N LEU A 82 2.408 -8.670 -3.050 1.00 51.45 N ATOM 1327 CA LEU A 82 1.534 -8.115 -4.090 1.00 13.32 C ATOM 1328 C LEU A 82 2.256 -8.061 -5.454 1.00 42.22 C ATOM 1329 O LEU A 82 1.595 -8.119 -6.473 1.00 43.22 O ATOM 1330 CB LEU A 82 0.989 -6.712 -3.688 1.00 45.01 C ATOM 1331 CG LEU A 82 0.230 -6.625 -2.320 1.00 30.55 C ATOM 1332 CD1 LEU A 82 -0.276 -5.189 -2.055 1.00 73.41 C ATOM 1333 CD2 LEU A 82 -0.915 -7.653 -2.238 1.00 40.13 C ATOM 0 H LEU A 82 2.714 -7.985 -2.359 1.00 51.45 H new ATOM 0 HA LEU A 82 0.679 -8.783 -4.190 1.00 13.32 H new ATOM 0 HB2 LEU A 82 1.827 -6.016 -3.659 1.00 45.01 H new ATOM 0 HB3 LEU A 82 0.317 -6.369 -4.474 1.00 45.01 H new ATOM 0 HG LEU A 82 0.941 -6.876 -1.533 1.00 30.55 H new ATOM 0 HD11 LEU A 82 -0.799 -5.158 -1.099 1.00 73.41 H new ATOM 0 HD12 LEU A 82 0.571 -4.504 -2.027 1.00 73.41 H new ATOM 0 HD13 LEU A 82 -0.958 -4.891 -2.851 1.00 73.41 H new ATOM 0 HD21 LEU A 82 -1.417 -7.562 -1.275 1.00 40.13 H new ATOM 0 HD22 LEU A 82 -1.630 -7.466 -3.039 1.00 40.13 H new ATOM 0 HD23 LEU A 82 -0.509 -8.659 -2.341 1.00 40.13 H new ATOM 1345 N GLN A 83 3.614 -7.958 -5.465 1.00 20.22 N ATOM 1346 CA GLN A 83 4.411 -8.036 -6.725 1.00 5.21 C ATOM 1347 C GLN A 83 4.219 -9.405 -7.395 1.00 12.13 C ATOM 1348 O GLN A 83 4.073 -9.492 -8.621 1.00 4.32 O ATOM 1349 CB GLN A 83 5.916 -7.785 -6.452 1.00 64.42 C ATOM 1350 CG GLN A 83 6.836 -7.821 -7.691 1.00 12.42 C ATOM 1351 CD GLN A 83 8.327 -7.634 -7.374 1.00 3.11 C ATOM 1352 OE1 GLN A 83 8.779 -8.104 -6.211 1.00 24.35 O flip ATOM 1353 NE2 GLN A 83 9.079 -7.087 -8.183 1.00 60.42 N flip ATOM 0 H GLN A 83 4.176 -7.822 -4.625 1.00 20.22 H new ATOM 0 HA GLN A 83 4.052 -7.257 -7.397 1.00 5.21 H new ATOM 0 HB2 GLN A 83 6.022 -6.812 -5.972 1.00 64.42 H new ATOM 0 HB3 GLN A 83 6.267 -8.532 -5.740 1.00 64.42 H new ATOM 0 HG2 GLN A 83 6.702 -8.774 -8.202 1.00 12.42 H new ATOM 0 HG3 GLN A 83 6.523 -7.041 -8.385 1.00 12.42 H new ATOM 0 HE21 GLN A 83 8.709 -6.736 -9.066 1.00 60.42 H new ATOM 0 HE22 GLN A 83 10.071 -6.986 -7.969 1.00 60.42 H new ATOM 1362 N GLN A 84 4.214 -10.466 -6.552 1.00 42.33 N ATOM 1363 CA GLN A 84 3.909 -11.841 -6.994 1.00 23.05 C ATOM 1364 C GLN A 84 2.507 -11.882 -7.617 1.00 65.12 C ATOM 1365 O GLN A 84 2.342 -12.332 -8.751 1.00 33.22 O ATOM 1366 CB GLN A 84 3.992 -12.833 -5.809 1.00 1.21 C ATOM 1367 CG GLN A 84 5.360 -12.877 -5.106 1.00 51.14 C ATOM 1368 CD GLN A 84 5.407 -13.770 -3.858 1.00 60.43 C ATOM 1369 OE1 GLN A 84 6.144 -13.485 -2.912 1.00 12.53 O ATOM 1370 NE2 GLN A 84 4.661 -14.866 -3.850 1.00 73.23 N ATOM 0 H GLN A 84 4.420 -10.390 -5.556 1.00 42.33 H new ATOM 0 HA GLN A 84 4.647 -12.139 -7.739 1.00 23.05 H new ATOM 0 HB2 GLN A 84 3.230 -12.568 -5.076 1.00 1.21 H new ATOM 0 HB3 GLN A 84 3.752 -13.833 -6.171 1.00 1.21 H new ATOM 0 HG2 GLN A 84 6.108 -13.228 -5.817 1.00 51.14 H new ATOM 0 HG3 GLN A 84 5.641 -11.863 -4.822 1.00 51.14 H new ATOM 0 HE21 GLN A 84 4.059 -15.079 -4.646 1.00 73.23 H new ATOM 0 HE22 GLN A 84 4.689 -15.496 -3.048 1.00 73.23 H new ATOM 1379 N ARG A 85 1.525 -11.330 -6.868 1.00 2.12 N ATOM 1380 CA ARG A 85 0.107 -11.317 -7.270 1.00 1.41 C ATOM 1381 C ARG A 85 -0.087 -10.619 -8.626 1.00 14.34 C ATOM 1382 O ARG A 85 -0.701 -11.176 -9.519 1.00 44.52 O ATOM 1383 CB ARG A 85 -0.768 -10.622 -6.193 1.00 45.21 C ATOM 1384 CG ARG A 85 -0.698 -11.227 -4.774 1.00 33.20 C ATOM 1385 CD ARG A 85 -1.124 -12.708 -4.690 1.00 23.41 C ATOM 1386 NE ARG A 85 -0.102 -13.640 -5.198 1.00 2.43 N ATOM 1387 CZ ARG A 85 0.685 -14.416 -4.442 1.00 45.00 C ATOM 1388 NH1 ARG A 85 0.602 -14.408 -3.116 1.00 4.21 N ATOM 1389 NH2 ARG A 85 1.531 -15.236 -5.025 1.00 32.51 N ATOM 0 H ARG A 85 1.698 -10.882 -5.968 1.00 2.12 H new ATOM 0 HA ARG A 85 -0.209 -12.355 -7.368 1.00 1.41 H new ATOM 0 HB2 ARG A 85 -0.474 -9.574 -6.135 1.00 45.21 H new ATOM 0 HB3 ARG A 85 -1.806 -10.644 -6.526 1.00 45.21 H new ATOM 0 HG2 ARG A 85 0.322 -11.134 -4.402 1.00 33.20 H new ATOM 0 HG3 ARG A 85 -1.334 -10.641 -4.111 1.00 33.20 H new ATOM 0 HD2 ARG A 85 -1.348 -12.956 -3.652 1.00 23.41 H new ATOM 0 HD3 ARG A 85 -2.045 -12.846 -5.256 1.00 23.41 H new ATOM 0 HE ARG A 85 0.016 -13.699 -6.209 1.00 2.43 H new ATOM 0 HH11 ARG A 85 -0.073 -13.801 -2.651 1.00 4.21 H new ATOM 0 HH12 ARG A 85 1.213 -15.009 -2.563 1.00 4.21 H new ATOM 0 HH21 ARG A 85 1.583 -15.276 -6.043 1.00 32.51 H new ATOM 0 HH22 ARG A 85 2.136 -15.832 -4.459 1.00 32.51 H new ATOM 1403 N LEU A 86 0.498 -9.418 -8.766 1.00 24.05 N ATOM 1404 CA LEU A 86 0.333 -8.558 -9.953 1.00 31.40 C ATOM 1405 C LEU A 86 0.975 -9.174 -11.203 1.00 72.24 C ATOM 1406 O LEU A 86 0.433 -9.049 -12.298 1.00 23.22 O ATOM 1407 CB LEU A 86 0.936 -7.152 -9.685 1.00 31.31 C ATOM 1408 CG LEU A 86 0.204 -6.303 -8.604 1.00 52.15 C ATOM 1409 CD1 LEU A 86 0.930 -4.969 -8.357 1.00 32.10 C ATOM 1410 CD2 LEU A 86 -1.270 -6.082 -8.984 1.00 1.43 C ATOM 0 H LEU A 86 1.104 -9.012 -8.053 1.00 24.05 H new ATOM 0 HA LEU A 86 -0.736 -8.466 -10.142 1.00 31.40 H new ATOM 0 HB2 LEU A 86 1.976 -7.274 -9.383 1.00 31.31 H new ATOM 0 HB3 LEU A 86 0.939 -6.593 -10.621 1.00 31.31 H new ATOM 0 HG LEU A 86 0.224 -6.861 -7.668 1.00 52.15 H new ATOM 0 HD11 LEU A 86 0.395 -4.399 -7.598 1.00 32.10 H new ATOM 0 HD12 LEU A 86 1.946 -5.166 -8.015 1.00 32.10 H new ATOM 0 HD13 LEU A 86 0.964 -4.396 -9.284 1.00 32.10 H new ATOM 0 HD21 LEU A 86 -1.759 -5.486 -8.213 1.00 1.43 H new ATOM 0 HD22 LEU A 86 -1.325 -5.557 -9.938 1.00 1.43 H new ATOM 0 HD23 LEU A 86 -1.772 -7.046 -9.071 1.00 1.43 H new ATOM 1422 N ASP A 87 2.124 -9.841 -11.020 1.00 32.41 N ATOM 1423 CA ASP A 87 2.861 -10.496 -12.123 1.00 43.13 C ATOM 1424 C ASP A 87 2.025 -11.671 -12.681 1.00 2.43 C ATOM 1425 O ASP A 87 1.895 -11.845 -13.904 1.00 20.24 O ATOM 1426 CB ASP A 87 4.252 -10.981 -11.614 1.00 52.34 C ATOM 1427 CG ASP A 87 5.219 -11.365 -12.753 1.00 33.41 C ATOM 1428 OD1 ASP A 87 6.010 -10.500 -13.193 1.00 23.41 O ATOM 1429 OD2 ASP A 87 5.201 -12.523 -13.213 1.00 10.33 O ATOM 0 H ASP A 87 2.571 -9.944 -10.109 1.00 32.41 H new ATOM 0 HA ASP A 87 3.027 -9.783 -12.930 1.00 43.13 H new ATOM 0 HB2 ASP A 87 4.705 -10.194 -11.012 1.00 52.34 H new ATOM 0 HB3 ASP A 87 4.112 -11.842 -10.960 1.00 52.34 H new ATOM 1434 N GLU A 88 1.409 -12.426 -11.746 1.00 55.12 N ATOM 1435 CA GLU A 88 0.521 -13.557 -12.063 1.00 51.03 C ATOM 1436 C GLU A 88 -0.772 -13.063 -12.747 1.00 71.52 C ATOM 1437 O GLU A 88 -1.131 -13.564 -13.807 1.00 45.21 O ATOM 1438 CB GLU A 88 0.201 -14.363 -10.775 1.00 34.53 C ATOM 1439 CG GLU A 88 1.443 -15.015 -10.120 1.00 4.21 C ATOM 1440 CD GLU A 88 1.141 -15.656 -8.755 1.00 0.12 C ATOM 1441 OE1 GLU A 88 1.235 -16.902 -8.610 1.00 40.04 O ATOM 1442 OE2 GLU A 88 0.781 -14.905 -7.820 1.00 73.11 O ATOM 0 H GLU A 88 1.517 -12.264 -10.745 1.00 55.12 H new ATOM 0 HA GLU A 88 1.033 -14.218 -12.762 1.00 51.03 H new ATOM 0 HB2 GLU A 88 -0.274 -13.700 -10.052 1.00 34.53 H new ATOM 0 HB3 GLU A 88 -0.522 -15.142 -11.016 1.00 34.53 H new ATOM 0 HG2 GLU A 88 1.843 -15.775 -10.791 1.00 4.21 H new ATOM 0 HG3 GLU A 88 2.219 -14.260 -9.996 1.00 4.21 H new ATOM 1449 N LEU A 89 -1.425 -12.033 -12.151 1.00 2.03 N ATOM 1450 CA LEU A 89 -2.701 -11.461 -12.656 1.00 71.01 C ATOM 1451 C LEU A 89 -2.517 -10.821 -14.046 1.00 10.40 C ATOM 1452 O LEU A 89 -3.408 -10.910 -14.891 1.00 74.40 O ATOM 1453 CB LEU A 89 -3.290 -10.414 -11.656 1.00 24.41 C ATOM 1454 CG LEU A 89 -3.730 -10.955 -10.253 1.00 45.40 C ATOM 1455 CD1 LEU A 89 -4.229 -9.807 -9.346 1.00 41.44 C ATOM 1456 CD2 LEU A 89 -4.795 -12.063 -10.382 1.00 44.34 C ATOM 0 H LEU A 89 -1.082 -11.575 -11.307 1.00 2.03 H new ATOM 0 HA LEU A 89 -3.408 -12.285 -12.747 1.00 71.01 H new ATOM 0 HB2 LEU A 89 -2.545 -9.633 -11.502 1.00 24.41 H new ATOM 0 HB3 LEU A 89 -4.153 -9.942 -12.126 1.00 24.41 H new ATOM 0 HG LEU A 89 -2.852 -11.398 -9.783 1.00 45.40 H new ATOM 0 HD11 LEU A 89 -4.528 -10.211 -8.379 1.00 41.44 H new ATOM 0 HD12 LEU A 89 -3.428 -9.081 -9.204 1.00 41.44 H new ATOM 0 HD13 LEU A 89 -5.083 -9.318 -9.815 1.00 41.44 H new ATOM 0 HD21 LEU A 89 -5.076 -12.415 -9.389 1.00 44.34 H new ATOM 0 HD22 LEU A 89 -5.674 -11.665 -10.889 1.00 44.34 H new ATOM 0 HD23 LEU A 89 -4.388 -12.893 -10.959 1.00 44.34 H new ATOM 1468 N SER A 90 -1.347 -10.200 -14.268 1.00 3.15 N ATOM 1469 CA SER A 90 -0.981 -9.601 -15.566 1.00 12.30 C ATOM 1470 C SER A 90 -0.883 -10.692 -16.643 1.00 50.32 C ATOM 1471 O SER A 90 -1.401 -10.527 -17.752 1.00 52.32 O ATOM 1472 CB SER A 90 0.362 -8.842 -15.452 1.00 21.34 C ATOM 1473 OG SER A 90 0.739 -8.252 -16.687 1.00 20.13 O ATOM 0 H SER A 90 -0.626 -10.098 -13.553 1.00 3.15 H new ATOM 0 HA SER A 90 -1.757 -8.891 -15.852 1.00 12.30 H new ATOM 0 HB2 SER A 90 0.279 -8.068 -14.689 1.00 21.34 H new ATOM 0 HB3 SER A 90 1.142 -9.530 -15.124 1.00 21.34 H new ATOM 0 HG SER A 90 1.591 -7.780 -16.577 1.00 20.13 H new ATOM 1479 N SER A 91 -0.236 -11.820 -16.277 1.00 1.32 N ATOM 1480 CA SER A 91 -0.105 -12.987 -17.157 1.00 4.05 C ATOM 1481 C SER A 91 -1.487 -13.615 -17.450 1.00 22.43 C ATOM 1482 O SER A 91 -1.770 -13.984 -18.588 1.00 4.25 O ATOM 1483 CB SER A 91 0.849 -14.023 -16.519 1.00 13.42 C ATOM 1484 OG SER A 91 1.125 -15.097 -17.404 1.00 21.03 O ATOM 0 H SER A 91 0.206 -11.941 -15.366 1.00 1.32 H new ATOM 0 HA SER A 91 0.318 -12.662 -18.108 1.00 4.05 H new ATOM 0 HB2 SER A 91 1.782 -13.534 -16.238 1.00 13.42 H new ATOM 0 HB3 SER A 91 0.404 -14.411 -15.603 1.00 13.42 H new ATOM 0 HG SER A 91 1.732 -15.732 -16.969 1.00 21.03 H new ATOM 1490 N LEU A 92 -2.359 -13.673 -16.414 1.00 11.14 N ATOM 1491 CA LEU A 92 -3.706 -14.280 -16.515 1.00 22.12 C ATOM 1492 C LEU A 92 -4.585 -13.524 -17.525 1.00 45.22 C ATOM 1493 O LEU A 92 -5.078 -14.115 -18.497 1.00 74.20 O ATOM 1494 CB LEU A 92 -4.400 -14.335 -15.119 1.00 12.44 C ATOM 1495 CG LEU A 92 -3.767 -15.323 -14.091 1.00 34.11 C ATOM 1496 CD1 LEU A 92 -4.500 -15.275 -12.734 1.00 3.30 C ATOM 1497 CD2 LEU A 92 -3.726 -16.758 -14.655 1.00 0.45 C ATOM 0 H LEU A 92 -2.148 -13.301 -15.488 1.00 11.14 H new ATOM 0 HA LEU A 92 -3.580 -15.301 -16.876 1.00 22.12 H new ATOM 0 HB2 LEU A 92 -4.389 -13.334 -14.688 1.00 12.44 H new ATOM 0 HB3 LEU A 92 -5.445 -14.609 -15.263 1.00 12.44 H new ATOM 0 HG LEU A 92 -2.740 -15.003 -13.916 1.00 34.11 H new ATOM 0 HD11 LEU A 92 -4.032 -15.976 -12.043 1.00 3.30 H new ATOM 0 HD12 LEU A 92 -4.441 -14.267 -12.324 1.00 3.30 H new ATOM 0 HD13 LEU A 92 -5.546 -15.548 -12.875 1.00 3.30 H new ATOM 0 HD21 LEU A 92 -3.280 -17.426 -13.918 1.00 0.45 H new ATOM 0 HD22 LEU A 92 -4.740 -17.090 -14.879 1.00 0.45 H new ATOM 0 HD23 LEU A 92 -3.129 -16.774 -15.567 1.00 0.45 H new ATOM 1509 N ILE A 93 -4.723 -12.204 -17.296 1.00 33.42 N ATOM 1510 CA ILE A 93 -5.491 -11.299 -18.173 1.00 22.01 C ATOM 1511 C ILE A 93 -4.852 -11.253 -19.577 1.00 61.43 C ATOM 1512 O ILE A 93 -5.555 -11.188 -20.583 1.00 33.20 O ATOM 1513 CB ILE A 93 -5.565 -9.847 -17.560 1.00 42.11 C ATOM 1514 CG1 ILE A 93 -6.157 -9.894 -16.116 1.00 34.04 C ATOM 1515 CG2 ILE A 93 -6.388 -8.887 -18.457 1.00 53.01 C ATOM 1516 CD1 ILE A 93 -6.064 -8.584 -15.357 1.00 64.32 C ATOM 0 H ILE A 93 -4.303 -11.733 -16.494 1.00 33.42 H new ATOM 0 HA ILE A 93 -6.507 -11.685 -18.257 1.00 22.01 H new ATOM 0 HB ILE A 93 -4.548 -9.457 -17.510 1.00 42.11 H new ATOM 0 HG12 ILE A 93 -7.204 -10.192 -16.175 1.00 34.04 H new ATOM 0 HG13 ILE A 93 -5.638 -10.666 -15.549 1.00 34.04 H new ATOM 0 HG21 ILE A 93 -6.416 -7.897 -18.001 1.00 53.01 H new ATOM 0 HG22 ILE A 93 -5.923 -8.820 -19.441 1.00 53.01 H new ATOM 0 HG23 ILE A 93 -7.404 -9.267 -18.561 1.00 53.01 H new ATOM 0 HD11 ILE A 93 -6.498 -8.707 -14.365 1.00 64.32 H new ATOM 0 HD12 ILE A 93 -5.018 -8.292 -15.262 1.00 64.32 H new ATOM 0 HD13 ILE A 93 -6.609 -7.810 -15.898 1.00 64.32 H new ATOM 1528 N GLY A 94 -3.510 -11.348 -19.610 1.00 33.01 N ATOM 1529 CA GLY A 94 -2.748 -11.310 -20.854 1.00 5.11 C ATOM 1530 C GLY A 94 -3.085 -12.449 -21.817 1.00 75.43 C ATOM 1531 O GLY A 94 -3.186 -12.232 -23.026 1.00 64.44 O ATOM 0 H GLY A 94 -2.934 -11.453 -18.775 1.00 33.01 H new ATOM 0 HA2 GLY A 94 -2.931 -10.358 -21.353 1.00 5.11 H new ATOM 0 HA3 GLY A 94 -1.684 -11.347 -20.619 1.00 5.11 H new ATOM 1535 N GLN A 95 -3.301 -13.665 -21.274 1.00 73.45 N ATOM 1536 CA GLN A 95 -3.569 -14.870 -22.096 1.00 24.23 C ATOM 1537 C GLN A 95 -5.039 -14.921 -22.565 1.00 41.10 C ATOM 1538 O GLN A 95 -5.321 -15.346 -23.695 1.00 31.44 O ATOM 1539 CB GLN A 95 -3.222 -16.170 -21.313 1.00 15.15 C ATOM 1540 CG GLN A 95 -1.779 -16.255 -20.766 1.00 60.33 C ATOM 1541 CD GLN A 95 -0.685 -16.076 -21.820 1.00 50.44 C ATOM 1542 OE1 GLN A 95 -0.217 -14.961 -22.078 1.00 5.52 O ATOM 1543 NE2 GLN A 95 -0.263 -17.169 -22.435 1.00 53.01 N ATOM 0 H GLN A 95 -3.296 -13.841 -20.269 1.00 73.45 H new ATOM 0 HA GLN A 95 -2.929 -14.805 -22.976 1.00 24.23 H new ATOM 0 HB2 GLN A 95 -3.915 -16.265 -20.477 1.00 15.15 H new ATOM 0 HB3 GLN A 95 -3.394 -17.024 -21.968 1.00 15.15 H new ATOM 0 HG2 GLN A 95 -1.651 -15.494 -19.996 1.00 60.33 H new ATOM 0 HG3 GLN A 95 -1.644 -17.223 -20.283 1.00 60.33 H new ATOM 0 HE21 GLN A 95 -0.669 -18.075 -22.200 1.00 53.01 H new ATOM 0 HE22 GLN A 95 0.468 -17.106 -23.144 1.00 53.01 H new ATOM 1552 N VAL A 96 -5.972 -14.482 -21.692 1.00 41.21 N ATOM 1553 CA VAL A 96 -7.425 -14.623 -21.942 1.00 75.53 C ATOM 1554 C VAL A 96 -8.010 -13.439 -22.752 1.00 74.23 C ATOM 1555 O VAL A 96 -8.896 -13.648 -23.593 1.00 54.34 O ATOM 1556 CB VAL A 96 -8.245 -14.841 -20.607 1.00 62.01 C ATOM 1557 CG1 VAL A 96 -7.810 -16.149 -19.903 1.00 73.11 C ATOM 1558 CG2 VAL A 96 -8.141 -13.630 -19.650 1.00 64.32 C ATOM 0 H VAL A 96 -5.746 -14.027 -20.808 1.00 41.21 H new ATOM 0 HA VAL A 96 -7.531 -15.521 -22.551 1.00 75.53 H new ATOM 0 HB VAL A 96 -9.295 -14.933 -20.885 1.00 62.01 H new ATOM 0 HG11 VAL A 96 -8.387 -16.279 -18.987 1.00 73.11 H new ATOM 0 HG12 VAL A 96 -7.987 -16.996 -20.566 1.00 73.11 H new ATOM 0 HG13 VAL A 96 -6.749 -16.095 -19.659 1.00 73.11 H new ATOM 0 HG21 VAL A 96 -8.721 -13.828 -18.748 1.00 64.32 H new ATOM 0 HG22 VAL A 96 -7.097 -13.467 -19.382 1.00 64.32 H new ATOM 0 HG23 VAL A 96 -8.532 -12.741 -20.145 1.00 64.32 H new ATOM 1568 N LEU A 97 -7.512 -12.208 -22.509 1.00 61.31 N ATOM 1569 CA LEU A 97 -8.012 -11.000 -23.202 1.00 43.14 C ATOM 1570 C LEU A 97 -7.514 -11.039 -24.658 1.00 71.10 C ATOM 1571 O LEU A 97 -6.305 -10.933 -24.912 1.00 62.21 O ATOM 1572 CB LEU A 97 -7.544 -9.691 -22.469 1.00 32.15 C ATOM 1573 CG LEU A 97 -8.362 -8.363 -22.725 1.00 73.44 C ATOM 1574 CD1 LEU A 97 -7.899 -7.240 -21.774 1.00 72.10 C ATOM 1575 CD2 LEU A 97 -8.295 -7.865 -24.189 1.00 50.31 C ATOM 0 H LEU A 97 -6.765 -12.024 -21.839 1.00 61.31 H new ATOM 0 HA LEU A 97 -9.102 -10.990 -23.189 1.00 43.14 H new ATOM 0 HB2 LEU A 97 -7.554 -9.887 -21.397 1.00 32.15 H new ATOM 0 HB3 LEU A 97 -6.507 -9.504 -22.750 1.00 32.15 H new ATOM 0 HG LEU A 97 -9.403 -8.616 -22.523 1.00 73.44 H new ATOM 0 HD11 LEU A 97 -8.477 -6.337 -21.969 1.00 72.10 H new ATOM 0 HD12 LEU A 97 -8.052 -7.552 -20.741 1.00 72.10 H new ATOM 0 HD13 LEU A 97 -6.841 -7.037 -21.939 1.00 72.10 H new ATOM 0 HD21 LEU A 97 -8.879 -6.950 -24.289 1.00 50.31 H new ATOM 0 HD22 LEU A 97 -7.258 -7.665 -24.458 1.00 50.31 H new ATOM 0 HD23 LEU A 97 -8.701 -8.629 -24.852 1.00 50.31 H new ATOM 1830 N ILE A 429 -15.537 -14.223 -20.627 1.00 62.24 N ATOM 1831 CA ILE A 429 -14.155 -13.717 -20.793 1.00 71.21 C ATOM 1832 C ILE A 429 -14.083 -12.219 -20.413 1.00 63.31 C ATOM 1833 O ILE A 429 -13.096 -11.777 -19.831 1.00 12.34 O ATOM 1834 CB ILE A 429 -13.609 -13.992 -22.262 1.00 73.11 C ATOM 1835 CG1 ILE A 429 -12.117 -13.504 -22.494 1.00 4.05 C ATOM 1836 CG2 ILE A 429 -14.560 -13.422 -23.333 1.00 50.13 C ATOM 1837 CD1 ILE A 429 -11.914 -12.055 -22.962 1.00 71.33 C ATOM 0 HA ILE A 429 -13.501 -14.263 -20.113 1.00 71.21 H new ATOM 0 HB ILE A 429 -13.584 -15.077 -22.367 1.00 73.11 H new ATOM 0 HG12 ILE A 429 -11.570 -13.637 -21.561 1.00 4.05 H new ATOM 0 HG13 ILE A 429 -11.657 -14.164 -23.230 1.00 4.05 H new ATOM 0 HG21 ILE A 429 -14.156 -13.628 -24.324 1.00 50.13 H new ATOM 0 HG22 ILE A 429 -15.540 -13.890 -23.236 1.00 50.13 H new ATOM 0 HG23 ILE A 429 -14.657 -12.345 -23.197 1.00 50.13 H new ATOM 0 HD11 ILE A 429 -10.849 -11.857 -23.080 1.00 71.33 H new ATOM 0 HD12 ILE A 429 -12.419 -11.907 -23.917 1.00 71.33 H new ATOM 0 HD13 ILE A 429 -12.330 -11.372 -22.222 1.00 71.33 H new ATOM 1849 N ASP A 430 -15.159 -11.464 -20.723 1.00 64.34 N ATOM 1850 CA ASP A 430 -15.333 -10.065 -20.283 1.00 52.04 C ATOM 1851 C ASP A 430 -15.228 -9.950 -18.761 1.00 1.02 C ATOM 1852 O ASP A 430 -14.446 -9.162 -18.240 1.00 62.44 O ATOM 1853 CB ASP A 430 -16.711 -9.531 -20.742 1.00 20.21 C ATOM 1854 CG ASP A 430 -17.080 -8.170 -20.125 1.00 41.24 C ATOM 1855 OD1 ASP A 430 -16.488 -7.146 -20.528 1.00 73.24 O ATOM 1856 OD2 ASP A 430 -17.958 -8.113 -19.235 1.00 24.43 O ATOM 0 H ASP A 430 -15.934 -11.811 -21.288 1.00 64.34 H new ATOM 0 HA ASP A 430 -14.539 -9.470 -20.735 1.00 52.04 H new ATOM 0 HB2 ASP A 430 -16.713 -9.441 -21.828 1.00 20.21 H new ATOM 0 HB3 ASP A 430 -17.479 -10.259 -20.481 1.00 20.21 H new ATOM 1861 N GLU A 431 -16.033 -10.778 -18.082 1.00 60.24 N ATOM 1862 CA GLU A 431 -16.196 -10.737 -16.627 1.00 32.24 C ATOM 1863 C GLU A 431 -14.899 -11.148 -15.913 1.00 73.22 C ATOM 1864 O GLU A 431 -14.536 -10.541 -14.911 1.00 43.11 O ATOM 1865 CB GLU A 431 -17.373 -11.648 -16.213 1.00 63.02 C ATOM 1866 CG GLU A 431 -18.697 -11.337 -16.941 1.00 55.14 C ATOM 1867 CD GLU A 431 -19.829 -12.296 -16.549 1.00 14.41 C ATOM 1868 OE1 GLU A 431 -19.836 -13.443 -17.036 1.00 31.35 O ATOM 1869 OE2 GLU A 431 -20.701 -11.920 -15.738 1.00 73.44 O ATOM 0 H GLU A 431 -16.593 -11.501 -18.534 1.00 60.24 H new ATOM 0 HA GLU A 431 -16.420 -9.714 -16.326 1.00 32.24 H new ATOM 0 HB2 GLU A 431 -17.100 -12.686 -16.405 1.00 63.02 H new ATOM 0 HB3 GLU A 431 -17.531 -11.554 -15.139 1.00 63.02 H new ATOM 0 HG2 GLU A 431 -18.999 -10.314 -16.716 1.00 55.14 H new ATOM 0 HG3 GLU A 431 -18.536 -11.392 -18.018 1.00 55.14 H new ATOM 1876 N THR A 432 -14.182 -12.158 -16.452 1.00 22.35 N ATOM 1877 CA THR A 432 -12.931 -12.628 -15.828 1.00 24.33 C ATOM 1878 C THR A 432 -11.821 -11.573 -16.001 1.00 5.42 C ATOM 1879 O THR A 432 -11.032 -11.352 -15.090 1.00 24.40 O ATOM 1880 CB THR A 432 -12.471 -14.037 -16.349 1.00 32.12 C ATOM 1881 OG1 THR A 432 -11.482 -14.587 -15.460 1.00 52.24 O ATOM 1882 CG2 THR A 432 -11.892 -14.007 -17.772 1.00 64.52 C ATOM 0 H THR A 432 -14.444 -12.655 -17.303 1.00 22.35 H new ATOM 0 HA THR A 432 -13.133 -12.758 -14.765 1.00 24.33 H new ATOM 0 HB THR A 432 -13.367 -14.657 -16.376 1.00 32.12 H new ATOM 0 HG1 THR A 432 -11.275 -13.936 -14.758 1.00 52.24 H new ATOM 0 HG21 THR A 432 -11.596 -15.014 -18.066 1.00 64.52 H new ATOM 0 HG22 THR A 432 -12.647 -13.635 -18.464 1.00 64.52 H new ATOM 0 HG23 THR A 432 -11.022 -13.351 -17.797 1.00 64.52 H new ATOM 1890 N VAL A 433 -11.816 -10.890 -17.163 1.00 11.23 N ATOM 1891 CA VAL A 433 -10.900 -9.771 -17.431 1.00 54.51 C ATOM 1892 C VAL A 433 -11.213 -8.599 -16.489 1.00 35.01 C ATOM 1893 O VAL A 433 -10.310 -8.041 -15.895 1.00 42.43 O ATOM 1894 CB VAL A 433 -10.973 -9.311 -18.944 1.00 62.25 C ATOM 1895 CG1 VAL A 433 -10.337 -7.919 -19.168 1.00 10.51 C ATOM 1896 CG2 VAL A 433 -10.312 -10.365 -19.863 1.00 70.41 C ATOM 0 H VAL A 433 -12.446 -11.100 -17.938 1.00 11.23 H new ATOM 0 HA VAL A 433 -9.882 -10.113 -17.244 1.00 54.51 H new ATOM 0 HB VAL A 433 -12.028 -9.225 -19.203 1.00 62.25 H new ATOM 0 HG11 VAL A 433 -10.413 -7.650 -20.221 1.00 10.51 H new ATOM 0 HG12 VAL A 433 -10.862 -7.178 -18.565 1.00 10.51 H new ATOM 0 HG13 VAL A 433 -9.287 -7.947 -18.875 1.00 10.51 H new ATOM 0 HG21 VAL A 433 -10.371 -10.032 -20.899 1.00 70.41 H new ATOM 0 HG22 VAL A 433 -9.266 -10.489 -19.581 1.00 70.41 H new ATOM 0 HG23 VAL A 433 -10.832 -11.317 -19.757 1.00 70.41 H new ATOM 1906 N ALA A 434 -12.510 -8.293 -16.333 1.00 75.30 N ATOM 1907 CA ALA A 434 -12.985 -7.140 -15.553 1.00 23.01 C ATOM 1908 C ALA A 434 -12.662 -7.293 -14.059 1.00 55.11 C ATOM 1909 O ALA A 434 -12.144 -6.365 -13.434 1.00 71.30 O ATOM 1910 CB ALA A 434 -14.496 -6.954 -15.757 1.00 74.25 C ATOM 0 H ALA A 434 -13.263 -8.842 -16.747 1.00 75.30 H new ATOM 0 HA ALA A 434 -12.462 -6.254 -15.913 1.00 23.01 H new ATOM 0 HB1 ALA A 434 -14.839 -6.098 -15.176 1.00 74.25 H new ATOM 0 HB2 ALA A 434 -14.702 -6.781 -16.813 1.00 74.25 H new ATOM 0 HB3 ALA A 434 -15.021 -7.851 -15.427 1.00 74.25 H new ATOM 1916 N ARG A 435 -12.964 -8.482 -13.501 1.00 75.21 N ATOM 1917 CA ARG A 435 -12.836 -8.740 -12.053 1.00 1.35 C ATOM 1918 C ARG A 435 -11.364 -8.946 -11.659 1.00 4.25 C ATOM 1919 O ARG A 435 -10.941 -8.512 -10.586 1.00 55.40 O ATOM 1920 CB ARG A 435 -13.698 -9.960 -11.624 1.00 1.12 C ATOM 1921 CG ARG A 435 -15.209 -9.835 -11.951 1.00 60.20 C ATOM 1922 CD ARG A 435 -15.862 -8.537 -11.429 1.00 4.34 C ATOM 1923 NE ARG A 435 -17.265 -8.414 -11.876 1.00 64.24 N ATOM 1924 CZ ARG A 435 -17.865 -7.272 -12.260 1.00 54.42 C ATOM 1925 NH1 ARG A 435 -17.214 -6.111 -12.263 1.00 11.42 N ATOM 1926 NH2 ARG A 435 -19.130 -7.295 -12.644 1.00 42.14 N ATOM 0 H ARG A 435 -13.300 -9.283 -14.035 1.00 75.21 H new ATOM 0 HA ARG A 435 -13.208 -7.863 -11.524 1.00 1.35 H new ATOM 0 HB2 ARG A 435 -13.307 -10.853 -12.112 1.00 1.12 H new ATOM 0 HB3 ARG A 435 -13.584 -10.108 -10.550 1.00 1.12 H new ATOM 0 HG2 ARG A 435 -15.341 -9.886 -13.032 1.00 60.20 H new ATOM 0 HG3 ARG A 435 -15.734 -10.690 -11.525 1.00 60.20 H new ATOM 0 HD2 ARG A 435 -15.824 -8.523 -10.340 1.00 4.34 H new ATOM 0 HD3 ARG A 435 -15.292 -7.676 -11.779 1.00 4.34 H new ATOM 0 HE ARG A 435 -17.826 -9.266 -11.895 1.00 64.24 H new ATOM 0 HH11 ARG A 435 -16.238 -6.073 -11.970 1.00 11.42 H new ATOM 0 HH12 ARG A 435 -17.691 -5.259 -12.559 1.00 11.42 H new ATOM 0 HH21 ARG A 435 -19.646 -8.175 -12.648 1.00 42.14 H new ATOM 0 HH22 ARG A 435 -19.590 -6.433 -12.936 1.00 42.14 H new ATOM 1940 N TYR A 436 -10.581 -9.596 -12.541 1.00 1.53 N ATOM 1941 CA TYR A 436 -9.128 -9.752 -12.329 1.00 50.53 C ATOM 1942 C TYR A 436 -8.390 -8.430 -12.593 1.00 64.33 C ATOM 1943 O TYR A 436 -7.320 -8.225 -12.043 1.00 1.41 O ATOM 1944 CB TYR A 436 -8.544 -10.908 -13.186 1.00 14.00 C ATOM 1945 CG TYR A 436 -8.843 -12.310 -12.623 1.00 24.01 C ATOM 1946 CD1 TYR A 436 -7.818 -13.129 -12.149 1.00 71.21 C ATOM 1947 CD2 TYR A 436 -10.149 -12.807 -12.557 1.00 51.04 C ATOM 1948 CE1 TYR A 436 -8.083 -14.384 -11.636 1.00 25.51 C ATOM 1949 CE2 TYR A 436 -10.418 -14.064 -12.046 1.00 34.32 C ATOM 1950 CZ TYR A 436 -9.384 -14.847 -11.587 1.00 30.22 C ATOM 1951 OH TYR A 436 -9.645 -16.103 -11.069 1.00 4.12 O ATOM 0 H TYR A 436 -10.927 -10.019 -13.402 1.00 1.53 H new ATOM 0 HA TYR A 436 -8.974 -10.019 -11.283 1.00 50.53 H new ATOM 0 HB2 TYR A 436 -8.947 -10.839 -14.196 1.00 14.00 H new ATOM 0 HB3 TYR A 436 -7.464 -10.781 -13.264 1.00 14.00 H new ATOM 0 HD1 TYR A 436 -6.798 -12.775 -12.184 1.00 71.21 H new ATOM 0 HD2 TYR A 436 -10.965 -12.196 -12.913 1.00 51.04 H new ATOM 0 HE1 TYR A 436 -7.275 -15.002 -11.274 1.00 25.51 H new ATOM 0 HE2 TYR A 436 -11.434 -14.429 -12.008 1.00 34.32 H new ATOM 0 HH TYR A 436 -10.609 -16.278 -11.105 1.00 4.12 H new ATOM 1961 N LYS A 437 -8.966 -7.550 -13.444 1.00 41.21 N ATOM 1962 CA LYS A 437 -8.453 -6.172 -13.644 1.00 34.24 C ATOM 1963 C LYS A 437 -8.800 -5.308 -12.433 1.00 14.12 C ATOM 1964 O LYS A 437 -8.066 -4.396 -12.095 1.00 30.13 O ATOM 1965 CB LYS A 437 -9.003 -5.518 -14.952 1.00 20.14 C ATOM 1966 CG LYS A 437 -8.604 -4.033 -15.149 1.00 3.14 C ATOM 1967 CD LYS A 437 -9.054 -3.440 -16.504 1.00 33.41 C ATOM 1968 CE LYS A 437 -8.781 -1.926 -16.591 1.00 2.34 C ATOM 1969 NZ LYS A 437 -7.374 -1.578 -16.227 1.00 1.40 N ATOM 0 H LYS A 437 -9.789 -7.769 -14.005 1.00 41.21 H new ATOM 0 HA LYS A 437 -7.370 -6.237 -13.750 1.00 34.24 H new ATOM 0 HB2 LYS A 437 -8.647 -6.093 -15.807 1.00 20.14 H new ATOM 0 HB3 LYS A 437 -10.091 -5.591 -14.949 1.00 20.14 H new ATOM 0 HG2 LYS A 437 -9.036 -3.440 -14.342 1.00 3.14 H new ATOM 0 HG3 LYS A 437 -7.521 -3.943 -15.066 1.00 3.14 H new ATOM 0 HD2 LYS A 437 -8.532 -3.950 -17.314 1.00 33.41 H new ATOM 0 HD3 LYS A 437 -10.119 -3.625 -16.645 1.00 33.41 H new ATOM 0 HE2 LYS A 437 -8.987 -1.580 -17.604 1.00 2.34 H new ATOM 0 HE3 LYS A 437 -9.466 -1.398 -15.928 1.00 2.34 H new ATOM 0 HZ1 LYS A 437 -7.217 -0.562 -16.382 1.00 1.40 H new ATOM 0 HZ2 LYS A 437 -7.208 -1.805 -15.226 1.00 1.40 H new ATOM 0 HZ3 LYS A 437 -6.717 -2.125 -16.819 1.00 1.40 H new ATOM 1983 N ALA A 438 -9.930 -5.607 -11.778 1.00 45.31 N ATOM 1984 CA ALA A 438 -10.290 -4.956 -10.515 1.00 24.44 C ATOM 1985 C ALA A 438 -9.218 -5.274 -9.465 1.00 55.20 C ATOM 1986 O ALA A 438 -8.628 -4.374 -8.888 1.00 44.32 O ATOM 1987 CB ALA A 438 -11.677 -5.396 -10.047 1.00 60.14 C ATOM 0 H ALA A 438 -10.609 -6.295 -12.103 1.00 45.31 H new ATOM 0 HA ALA A 438 -10.333 -3.877 -10.663 1.00 24.44 H new ATOM 0 HB1 ALA A 438 -11.919 -4.898 -9.108 1.00 60.14 H new ATOM 0 HB2 ALA A 438 -12.417 -5.128 -10.801 1.00 60.14 H new ATOM 0 HB3 ALA A 438 -11.685 -6.476 -9.898 1.00 60.14 H new ATOM 1993 N GLN A 439 -8.905 -6.571 -9.313 1.00 33.13 N ATOM 1994 CA GLN A 439 -7.889 -7.032 -8.353 1.00 64.50 C ATOM 1995 C GLN A 439 -6.482 -6.526 -8.758 1.00 25.11 C ATOM 1996 O GLN A 439 -5.704 -6.101 -7.906 1.00 33.31 O ATOM 1997 CB GLN A 439 -7.899 -8.583 -8.240 1.00 21.12 C ATOM 1998 CG GLN A 439 -9.273 -9.213 -7.914 1.00 54.13 C ATOM 1999 CD GLN A 439 -9.967 -8.610 -6.690 1.00 34.02 C ATOM 2000 OE1 GLN A 439 -9.753 -9.049 -5.562 1.00 31.34 O ATOM 2001 NE2 GLN A 439 -10.826 -7.620 -6.909 1.00 64.43 N ATOM 0 H GLN A 439 -9.344 -7.322 -9.846 1.00 33.13 H new ATOM 0 HA GLN A 439 -8.135 -6.617 -7.376 1.00 64.50 H new ATOM 0 HB2 GLN A 439 -7.540 -9.002 -9.180 1.00 21.12 H new ATOM 0 HB3 GLN A 439 -7.189 -8.879 -7.467 1.00 21.12 H new ATOM 0 HG2 GLN A 439 -9.926 -9.101 -8.780 1.00 54.13 H new ATOM 0 HG3 GLN A 439 -9.140 -10.283 -7.752 1.00 54.13 H new ATOM 0 HE21 GLN A 439 -10.980 -7.279 -7.858 1.00 64.43 H new ATOM 0 HE22 GLN A 439 -11.331 -7.201 -6.128 1.00 64.43 H new ATOM 2010 N PHE A 440 -6.199 -6.525 -10.076 1.00 52.32 N ATOM 2011 CA PHE A 440 -4.883 -6.126 -10.608 1.00 61.14 C ATOM 2012 C PHE A 440 -4.671 -4.613 -10.427 1.00 32.40 C ATOM 2013 O PHE A 440 -3.814 -4.214 -9.658 1.00 73.00 O ATOM 2014 CB PHE A 440 -4.741 -6.529 -12.106 1.00 24.44 C ATOM 2015 CG PHE A 440 -3.423 -6.102 -12.750 1.00 55.32 C ATOM 2016 CD1 PHE A 440 -2.232 -6.748 -12.427 1.00 33.42 C ATOM 2017 CD2 PHE A 440 -3.371 -5.041 -13.656 1.00 62.15 C ATOM 2018 CE1 PHE A 440 -1.037 -6.346 -12.987 1.00 55.03 C ATOM 2019 CE2 PHE A 440 -2.172 -4.646 -14.217 1.00 54.13 C ATOM 2020 CZ PHE A 440 -1.005 -5.298 -13.880 1.00 50.51 C ATOM 0 H PHE A 440 -6.870 -6.798 -10.794 1.00 52.32 H new ATOM 0 HA PHE A 440 -4.112 -6.654 -10.047 1.00 61.14 H new ATOM 0 HB2 PHE A 440 -4.839 -7.611 -12.190 1.00 24.44 H new ATOM 0 HB3 PHE A 440 -5.565 -6.090 -12.668 1.00 24.44 H new ATOM 0 HD1 PHE A 440 -2.244 -7.573 -11.730 1.00 33.42 H new ATOM 0 HD2 PHE A 440 -4.280 -4.522 -13.922 1.00 62.15 H new ATOM 0 HE1 PHE A 440 -0.122 -6.856 -12.724 1.00 55.03 H new ATOM 0 HE2 PHE A 440 -2.149 -3.826 -14.920 1.00 54.13 H new ATOM 0 HZ PHE A 440 -0.067 -4.987 -14.316 1.00 50.51 H new ATOM 2030 N THR A 441 -5.506 -3.798 -11.107 1.00 64.43 N ATOM 2031 CA THR A 441 -5.388 -2.325 -11.128 1.00 54.34 C ATOM 2032 C THR A 441 -5.454 -1.707 -9.713 1.00 63.03 C ATOM 2033 O THR A 441 -4.751 -0.739 -9.438 1.00 41.33 O ATOM 2034 CB THR A 441 -6.493 -1.693 -12.047 1.00 25.22 C ATOM 2035 OG1 THR A 441 -6.442 -2.293 -13.352 1.00 35.14 O ATOM 2036 CG2 THR A 441 -6.351 -0.167 -12.190 1.00 44.01 C ATOM 0 H THR A 441 -6.288 -4.148 -11.661 1.00 64.43 H new ATOM 0 HA THR A 441 -4.405 -2.094 -11.538 1.00 54.34 H new ATOM 0 HB THR A 441 -7.452 -1.891 -11.568 1.00 25.22 H new ATOM 0 HG1 THR A 441 -6.812 -3.200 -13.310 1.00 35.14 H new ATOM 0 HG21 THR A 441 -7.142 0.213 -12.836 1.00 44.01 H new ATOM 0 HG22 THR A 441 -6.429 0.299 -11.208 1.00 44.01 H new ATOM 0 HG23 THR A 441 -5.381 0.069 -12.627 1.00 44.01 H new ATOM 2044 N GLN A 442 -6.289 -2.283 -8.822 1.00 34.45 N ATOM 2045 CA GLN A 442 -6.423 -1.797 -7.431 1.00 44.34 C ATOM 2046 C GLN A 442 -5.172 -2.125 -6.586 1.00 12.12 C ATOM 2047 O GLN A 442 -4.682 -1.259 -5.860 1.00 72.32 O ATOM 2048 CB GLN A 442 -7.714 -2.344 -6.776 1.00 22.34 C ATOM 2049 CG GLN A 442 -9.008 -1.725 -7.352 1.00 20.52 C ATOM 2050 CD GLN A 442 -10.313 -2.343 -6.824 1.00 22.33 C ATOM 2051 OE1 GLN A 442 -10.331 -3.650 -6.572 1.00 10.51 O flip ATOM 2052 NE2 GLN A 442 -11.326 -1.652 -6.698 1.00 11.22 N flip ATOM 0 H GLN A 442 -6.880 -3.085 -9.041 1.00 34.45 H new ATOM 0 HA GLN A 442 -6.503 -0.711 -7.468 1.00 44.34 H new ATOM 0 HB2 GLN A 442 -7.748 -3.426 -6.907 1.00 22.34 H new ATOM 0 HB3 GLN A 442 -7.676 -2.154 -5.703 1.00 22.34 H new ATOM 0 HG2 GLN A 442 -9.013 -0.658 -7.130 1.00 20.52 H new ATOM 0 HG3 GLN A 442 -8.989 -1.825 -8.437 1.00 20.52 H new ATOM 0 HE21 GLN A 442 -11.289 -0.652 -6.897 1.00 11.22 H new ATOM 0 HE22 GLN A 442 -12.201 -2.080 -6.395 1.00 11.22 H new ATOM 2061 N LEU A 443 -4.642 -3.361 -6.704 1.00 51.11 N ATOM 2062 CA LEU A 443 -3.369 -3.752 -6.030 1.00 13.02 C ATOM 2063 C LEU A 443 -2.141 -3.088 -6.722 1.00 13.04 C ATOM 2064 O LEU A 443 -1.069 -2.991 -6.122 1.00 22.13 O ATOM 2065 CB LEU A 443 -3.206 -5.309 -5.980 1.00 74.22 C ATOM 2066 CG LEU A 443 -3.924 -6.090 -4.816 1.00 70.24 C ATOM 2067 CD1 LEU A 443 -5.444 -5.846 -4.777 1.00 10.15 C ATOM 2068 CD2 LEU A 443 -3.617 -7.604 -4.908 1.00 4.42 C ATOM 0 H LEU A 443 -5.067 -4.107 -7.255 1.00 51.11 H new ATOM 0 HA LEU A 443 -3.416 -3.388 -5.003 1.00 13.02 H new ATOM 0 HB2 LEU A 443 -3.567 -5.713 -6.926 1.00 74.22 H new ATOM 0 HB3 LEU A 443 -2.140 -5.532 -5.924 1.00 74.22 H new ATOM 0 HG LEU A 443 -3.522 -5.698 -3.882 1.00 70.24 H new ATOM 0 HD11 LEU A 443 -5.882 -6.411 -3.954 1.00 10.15 H new ATOM 0 HD12 LEU A 443 -5.638 -4.783 -4.632 1.00 10.15 H new ATOM 0 HD13 LEU A 443 -5.889 -6.171 -5.717 1.00 10.15 H new ATOM 0 HD21 LEU A 443 -4.121 -8.128 -4.096 1.00 4.42 H new ATOM 0 HD22 LEU A 443 -3.972 -7.990 -5.864 1.00 4.42 H new ATOM 0 HD23 LEU A 443 -2.541 -7.763 -4.829 1.00 4.42 H new ATOM 2080 N ASP A 444 -2.318 -2.643 -7.983 1.00 45.21 N ATOM 2081 CA ASP A 444 -1.253 -2.019 -8.806 1.00 72.42 C ATOM 2082 C ASP A 444 -1.104 -0.534 -8.459 1.00 62.15 C ATOM 2083 O ASP A 444 0.013 -0.037 -8.288 1.00 21.00 O ATOM 2084 CB ASP A 444 -1.565 -2.198 -10.319 1.00 14.31 C ATOM 2085 CG ASP A 444 -0.478 -1.635 -11.246 1.00 60.11 C ATOM 2086 OD1 ASP A 444 -0.611 -0.485 -11.724 1.00 54.43 O ATOM 2087 OD2 ASP A 444 0.530 -2.337 -11.492 1.00 43.20 O ATOM 0 H ASP A 444 -3.214 -2.706 -8.467 1.00 45.21 H new ATOM 0 HA ASP A 444 -0.309 -2.517 -8.586 1.00 72.42 H new ATOM 0 HB2 ASP A 444 -1.696 -3.259 -10.530 1.00 14.31 H new ATOM 0 HB3 ASP A 444 -2.512 -1.709 -10.546 1.00 14.31 H new ATOM 2092 N THR A 445 -2.244 0.170 -8.359 1.00 41.03 N ATOM 2093 CA THR A 445 -2.273 1.576 -7.933 1.00 5.25 C ATOM 2094 C THR A 445 -1.883 1.667 -6.446 1.00 72.44 C ATOM 2095 O THR A 445 -1.262 2.648 -6.013 1.00 3.34 O ATOM 2096 CB THR A 445 -3.659 2.267 -8.206 1.00 64.34 C ATOM 2097 OG1 THR A 445 -3.561 3.676 -7.951 1.00 73.14 O ATOM 2098 CG2 THR A 445 -4.804 1.689 -7.359 1.00 23.32 C ATOM 0 H THR A 445 -3.164 -0.217 -8.570 1.00 41.03 H new ATOM 0 HA THR A 445 -1.546 2.124 -8.533 1.00 5.25 H new ATOM 0 HB THR A 445 -3.896 2.074 -9.252 1.00 64.34 H new ATOM 0 HG1 THR A 445 -4.427 4.101 -8.124 1.00 73.14 H new ATOM 0 HG21 THR A 445 -5.731 2.210 -7.597 1.00 23.32 H new ATOM 0 HG22 THR A 445 -4.918 0.627 -7.578 1.00 23.32 H new ATOM 0 HG23 THR A 445 -4.576 1.819 -6.301 1.00 23.32 H new ATOM 2106 N MET A 446 -2.229 0.600 -5.679 1.00 42.41 N ATOM 2107 CA MET A 446 -1.774 0.427 -4.298 1.00 4.41 C ATOM 2108 C MET A 446 -0.251 0.313 -4.274 1.00 43.23 C ATOM 2109 O MET A 446 0.393 0.981 -3.487 1.00 14.15 O ATOM 2110 CB MET A 446 -2.397 -0.833 -3.634 1.00 51.14 C ATOM 2111 CG MET A 446 -2.065 -0.974 -2.143 1.00 63.12 C ATOM 2112 SD MET A 446 -2.719 -2.480 -1.398 1.00 43.33 S ATOM 2113 CE MET A 446 -2.179 -2.278 0.304 1.00 75.15 C ATOM 0 H MET A 446 -2.829 -0.155 -6.011 1.00 42.41 H new ATOM 0 HA MET A 446 -2.099 1.299 -3.730 1.00 4.41 H new ATOM 0 HB2 MET A 446 -3.480 -0.798 -3.754 1.00 51.14 H new ATOM 0 HB3 MET A 446 -2.047 -1.721 -4.160 1.00 51.14 H new ATOM 0 HG2 MET A 446 -0.982 -0.957 -2.017 1.00 63.12 H new ATOM 0 HG3 MET A 446 -2.462 -0.112 -1.608 1.00 63.12 H new ATOM 0 HE1 MET A 446 -1.530 -3.109 0.581 1.00 75.15 H new ATOM 0 HE2 MET A 446 -1.631 -1.341 0.403 1.00 75.15 H new ATOM 0 HE3 MET A 446 -3.048 -2.261 0.962 1.00 75.15 H new ATOM 2123 N MET A 447 0.296 -0.529 -5.181 1.00 63.43 N ATOM 2124 CA MET A 447 1.742 -0.819 -5.260 1.00 1.43 C ATOM 2125 C MET A 447 2.570 0.420 -5.607 1.00 34.22 C ATOM 2126 O MET A 447 3.608 0.659 -4.990 1.00 74.13 O ATOM 2127 CB MET A 447 2.034 -1.959 -6.269 1.00 1.31 C ATOM 2128 CG MET A 447 3.537 -2.202 -6.552 1.00 32.41 C ATOM 2129 SD MET A 447 3.922 -3.929 -6.888 1.00 4.22 S ATOM 2130 CE MET A 447 3.564 -4.632 -5.282 1.00 15.41 C ATOM 0 H MET A 447 -0.257 -1.026 -5.879 1.00 63.43 H new ATOM 0 HA MET A 447 2.043 -1.146 -4.265 1.00 1.43 H new ATOM 0 HB2 MET A 447 1.595 -2.882 -5.890 1.00 1.31 H new ATOM 0 HB3 MET A 447 1.533 -1.731 -7.210 1.00 1.31 H new ATOM 0 HG2 MET A 447 3.843 -1.595 -7.404 1.00 32.41 H new ATOM 0 HG3 MET A 447 4.121 -1.866 -5.695 1.00 32.41 H new ATOM 0 HE1 MET A 447 4.149 -5.541 -5.144 1.00 15.41 H new ATOM 0 HE2 MET A 447 3.822 -3.913 -4.504 1.00 15.41 H new ATOM 0 HE3 MET A 447 2.502 -4.871 -5.218 1.00 15.41 H new ATOM 2140 N SER A 448 2.103 1.199 -6.593 1.00 23.12 N ATOM 2141 CA SER A 448 2.793 2.420 -7.037 1.00 4.55 C ATOM 2142 C SER A 448 2.821 3.464 -5.904 1.00 14.32 C ATOM 2143 O SER A 448 3.844 4.127 -5.675 1.00 1.32 O ATOM 2144 CB SER A 448 2.099 2.983 -8.292 1.00 0.23 C ATOM 2145 OG SER A 448 0.711 3.149 -8.073 1.00 73.14 O ATOM 0 H SER A 448 1.242 1.003 -7.103 1.00 23.12 H new ATOM 0 HA SER A 448 3.824 2.176 -7.292 1.00 4.55 H new ATOM 0 HB2 SER A 448 2.545 3.941 -8.560 1.00 0.23 H new ATOM 0 HB3 SER A 448 2.260 2.310 -9.134 1.00 0.23 H new ATOM 0 HG SER A 448 0.293 3.509 -8.883 1.00 73.14 H new ATOM 2151 N LYS A 449 1.692 3.576 -5.177 1.00 64.23 N ATOM 2152 CA LYS A 449 1.594 4.472 -4.020 1.00 62.15 C ATOM 2153 C LYS A 449 2.425 3.959 -2.837 1.00 1.22 C ATOM 2154 O LYS A 449 3.098 4.748 -2.201 1.00 3.24 O ATOM 2155 CB LYS A 449 0.123 4.692 -3.589 1.00 41.42 C ATOM 2156 CG LYS A 449 -0.706 5.518 -4.594 1.00 0.14 C ATOM 2157 CD LYS A 449 -2.086 5.925 -4.033 1.00 14.32 C ATOM 2158 CE LYS A 449 -1.969 6.799 -2.775 1.00 50.11 C ATOM 2159 NZ LYS A 449 -3.287 7.298 -2.302 1.00 1.22 N ATOM 0 H LYS A 449 0.838 3.055 -5.375 1.00 64.23 H new ATOM 0 HA LYS A 449 2.003 5.433 -4.332 1.00 62.15 H new ATOM 0 HB2 LYS A 449 -0.354 3.722 -3.451 1.00 41.42 H new ATOM 0 HB3 LYS A 449 0.109 5.195 -2.622 1.00 41.42 H new ATOM 0 HG2 LYS A 449 -0.150 6.415 -4.867 1.00 0.14 H new ATOM 0 HG3 LYS A 449 -0.845 4.939 -5.507 1.00 0.14 H new ATOM 0 HD2 LYS A 449 -2.642 6.467 -4.799 1.00 14.32 H new ATOM 0 HD3 LYS A 449 -2.659 5.028 -3.798 1.00 14.32 H new ATOM 0 HE2 LYS A 449 -1.496 6.223 -1.980 1.00 50.11 H new ATOM 0 HE3 LYS A 449 -1.318 7.647 -2.985 1.00 50.11 H new ATOM 0 HZ1 LYS A 449 -3.144 7.975 -1.526 1.00 1.22 H new ATOM 0 HZ2 LYS A 449 -3.781 7.769 -3.086 1.00 1.22 H new ATOM 0 HZ3 LYS A 449 -3.859 6.499 -1.962 1.00 1.22 H new ATOM 2173 N LEU A 450 2.404 2.635 -2.570 1.00 31.32 N ATOM 2174 CA LEU A 450 3.094 2.066 -1.389 1.00 52.13 C ATOM 2175 C LEU A 450 4.612 2.015 -1.625 1.00 33.15 C ATOM 2176 O LEU A 450 5.387 1.964 -0.675 1.00 72.21 O ATOM 2177 CB LEU A 450 2.482 0.688 -0.934 1.00 43.42 C ATOM 2178 CG LEU A 450 2.730 -0.621 -1.775 1.00 32.14 C ATOM 2179 CD1 LEU A 450 4.143 -1.228 -1.588 1.00 33.14 C ATOM 2180 CD2 LEU A 450 1.654 -1.686 -1.457 1.00 33.11 C ATOM 0 H LEU A 450 1.923 1.946 -3.148 1.00 31.32 H new ATOM 0 HA LEU A 450 2.924 2.734 -0.545 1.00 52.13 H new ATOM 0 HB2 LEU A 450 2.845 0.494 0.075 1.00 43.42 H new ATOM 0 HB3 LEU A 450 1.403 0.824 -0.864 1.00 43.42 H new ATOM 0 HG LEU A 450 2.658 -0.318 -2.820 1.00 32.14 H new ATOM 0 HD11 LEU A 450 4.237 -2.126 -2.199 1.00 33.14 H new ATOM 0 HD12 LEU A 450 4.895 -0.501 -1.894 1.00 33.14 H new ATOM 0 HD13 LEU A 450 4.293 -1.485 -0.539 1.00 33.14 H new ATOM 0 HD21 LEU A 450 1.843 -2.582 -2.048 1.00 33.11 H new ATOM 0 HD22 LEU A 450 1.692 -1.936 -0.397 1.00 33.11 H new ATOM 0 HD23 LEU A 450 0.668 -1.291 -1.702 1.00 33.11 H new ATOM 2192 N ASN A 451 5.012 2.035 -2.910 1.00 62.55 N ATOM 2193 CA ASN A 451 6.419 2.156 -3.320 1.00 62.14 C ATOM 2194 C ASN A 451 6.900 3.584 -3.033 1.00 41.03 C ATOM 2195 O ASN A 451 7.957 3.783 -2.420 1.00 13.01 O ATOM 2196 CB ASN A 451 6.588 1.822 -4.833 1.00 0.32 C ATOM 2197 CG ASN A 451 8.051 1.867 -5.310 1.00 74.50 C ATOM 2198 OD1 ASN A 451 8.749 0.859 -5.295 1.00 11.05 O ATOM 2199 ND2 ASN A 451 8.530 3.040 -5.707 1.00 71.24 N ATOM 0 H ASN A 451 4.364 1.967 -3.695 1.00 62.55 H new ATOM 0 HA ASN A 451 7.019 1.444 -2.753 1.00 62.14 H new ATOM 0 HB2 ASN A 451 6.181 0.829 -5.026 1.00 0.32 H new ATOM 0 HB3 ASN A 451 6.000 2.527 -5.421 1.00 0.32 H new ATOM 0 HD21 ASN A 451 9.501 3.118 -6.010 1.00 71.24 H new ATOM 0 HD22 ASN A 451 7.927 3.863 -5.709 1.00 71.24 H new ATOM 2206 N ASN A 452 6.074 4.562 -3.480 1.00 4.03 N ATOM 2207 CA ASN A 452 6.339 6.003 -3.323 1.00 70.45 C ATOM 2208 C ASN A 452 6.438 6.361 -1.836 1.00 32.23 C ATOM 2209 O ASN A 452 7.403 7.015 -1.402 1.00 45.01 O ATOM 2210 CB ASN A 452 5.213 6.836 -4.001 1.00 45.54 C ATOM 2211 CG ASN A 452 5.481 8.346 -4.013 1.00 74.02 C ATOM 2212 OD1 ASN A 452 6.630 8.788 -4.107 1.00 63.11 O ATOM 2213 ND2 ASN A 452 4.428 9.143 -3.902 1.00 51.31 N ATOM 0 H ASN A 452 5.198 4.364 -3.964 1.00 4.03 H new ATOM 0 HA ASN A 452 7.287 6.239 -3.807 1.00 70.45 H new ATOM 0 HB2 ASN A 452 5.086 6.491 -5.027 1.00 45.54 H new ATOM 0 HB3 ASN A 452 4.273 6.648 -3.483 1.00 45.54 H new ATOM 0 HD21 ASN A 452 4.553 10.155 -3.892 1.00 51.31 H new ATOM 0 HD22 ASN A 452 3.492 8.744 -3.826 1.00 51.31 H new ATOM 2220 N THR A 453 5.447 5.877 -1.061 1.00 45.20 N ATOM 2221 CA THR A 453 5.354 6.139 0.366 1.00 4.51 C ATOM 2222 C THR A 453 6.579 5.558 1.081 1.00 1.11 C ATOM 2223 O THR A 453 7.369 6.331 1.590 1.00 44.41 O ATOM 2224 CB THR A 453 4.028 5.592 0.991 1.00 45.22 C ATOM 2225 OG1 THR A 453 3.900 4.225 0.669 1.00 63.01 O ATOM 2226 CG2 THR A 453 2.772 6.348 0.500 1.00 33.12 C ATOM 0 H THR A 453 4.692 5.293 -1.420 1.00 45.20 H new ATOM 0 HA THR A 453 5.335 7.220 0.504 1.00 4.51 H new ATOM 0 HB THR A 453 4.092 5.741 2.069 1.00 45.22 H new ATOM 0 HG1 THR A 453 3.375 3.773 1.363 1.00 63.01 H new ATOM 0 HG21 THR A 453 1.885 5.922 0.969 1.00 33.12 H new ATOM 0 HG22 THR A 453 2.854 7.402 0.767 1.00 33.12 H new ATOM 0 HG23 THR A 453 2.691 6.254 -0.583 1.00 33.12 H new ATOM 2234 N SER A 454 6.774 4.211 1.019 1.00 50.32 N ATOM 2235 CA SER A 454 7.902 3.508 1.692 1.00 71.40 C ATOM 2236 C SER A 454 9.273 4.137 1.377 1.00 4.02 C ATOM 2237 O SER A 454 10.162 4.125 2.229 1.00 12.20 O ATOM 2238 CB SER A 454 7.925 2.018 1.299 1.00 11.01 C ATOM 2239 OG SER A 454 8.108 1.869 -0.095 1.00 41.42 O ATOM 0 H SER A 454 6.156 3.585 0.503 1.00 50.32 H new ATOM 0 HA SER A 454 7.729 3.610 2.763 1.00 71.40 H new ATOM 0 HB2 SER A 454 8.728 1.509 1.832 1.00 11.01 H new ATOM 0 HB3 SER A 454 6.991 1.543 1.601 1.00 11.01 H new ATOM 0 HG SER A 454 7.235 1.856 -0.540 1.00 41.42 H new ATOM 2245 N SER A 455 9.416 4.695 0.158 1.00 42.23 N ATOM 2246 CA SER A 455 10.630 5.408 -0.266 1.00 3.41 C ATOM 2247 C SER A 455 10.876 6.651 0.625 1.00 3.14 C ATOM 2248 O SER A 455 11.876 6.718 1.360 1.00 61.22 O ATOM 2249 CB SER A 455 10.507 5.804 -1.755 1.00 24.21 C ATOM 2250 OG SER A 455 11.705 6.383 -2.248 1.00 73.14 O ATOM 0 H SER A 455 8.690 4.662 -0.558 1.00 42.23 H new ATOM 0 HA SER A 455 11.489 4.747 -0.151 1.00 3.41 H new ATOM 0 HB2 SER A 455 10.260 4.922 -2.346 1.00 24.21 H new ATOM 0 HB3 SER A 455 9.685 6.510 -1.876 1.00 24.21 H new ATOM 0 HG SER A 455 11.590 6.619 -3.192 1.00 73.14 H new ATOM 2256 N TYR A 456 9.922 7.614 0.607 1.00 41.41 N ATOM 2257 CA TYR A 456 10.066 8.856 1.397 1.00 34.15 C ATOM 2258 C TYR A 456 9.862 8.612 2.908 1.00 33.53 C ATOM 2259 O TYR A 456 10.290 9.420 3.720 1.00 33.43 O ATOM 2260 CB TYR A 456 9.180 10.028 0.859 1.00 21.20 C ATOM 2261 CG TYR A 456 7.641 9.857 0.875 1.00 42.50 C ATOM 2262 CD1 TYR A 456 6.920 9.770 2.073 1.00 34.34 C ATOM 2263 CD2 TYR A 456 6.903 9.856 -0.316 1.00 63.34 C ATOM 2264 CE1 TYR A 456 5.543 9.682 2.079 1.00 51.13 C ATOM 2265 CE2 TYR A 456 5.521 9.759 -0.307 1.00 72.34 C ATOM 2266 CZ TYR A 456 4.850 9.677 0.893 1.00 52.02 C ATOM 2267 OH TYR A 456 3.473 9.604 0.903 1.00 40.53 O ATOM 0 H TYR A 456 9.061 7.555 0.064 1.00 41.41 H new ATOM 0 HA TYR A 456 11.099 9.179 1.266 1.00 34.15 H new ATOM 0 HB2 TYR A 456 9.421 10.919 1.439 1.00 21.20 H new ATOM 0 HB3 TYR A 456 9.481 10.226 -0.170 1.00 21.20 H new ATOM 0 HD1 TYR A 456 7.453 9.772 3.012 1.00 34.34 H new ATOM 0 HD2 TYR A 456 7.422 9.932 -1.260 1.00 63.34 H new ATOM 0 HE1 TYR A 456 5.010 9.617 3.016 1.00 51.13 H new ATOM 0 HE2 TYR A 456 4.972 9.748 -1.237 1.00 72.34 H new ATOM 0 HH TYR A 456 3.138 9.612 -0.018 1.00 40.53 H new ATOM 2277 N LEU A 457 9.197 7.496 3.263 1.00 12.43 N ATOM 2278 CA LEU A 457 8.949 7.107 4.665 1.00 35.34 C ATOM 2279 C LEU A 457 10.236 6.609 5.321 1.00 0.14 C ATOM 2280 O LEU A 457 10.487 6.927 6.473 1.00 11.32 O ATOM 2281 CB LEU A 457 7.856 5.999 4.796 1.00 55.20 C ATOM 2282 CG LEU A 457 6.378 6.415 4.534 1.00 33.33 C ATOM 2283 CD1 LEU A 457 5.420 5.221 4.771 1.00 11.13 C ATOM 2284 CD2 LEU A 457 5.996 7.623 5.391 1.00 33.15 C ATOM 0 H LEU A 457 8.816 6.837 2.584 1.00 12.43 H new ATOM 0 HA LEU A 457 8.589 8.002 5.172 1.00 35.34 H new ATOM 0 HB2 LEU A 457 8.107 5.195 4.104 1.00 55.20 H new ATOM 0 HB3 LEU A 457 7.916 5.584 5.802 1.00 55.20 H new ATOM 0 HG LEU A 457 6.282 6.709 3.489 1.00 33.33 H new ATOM 0 HD11 LEU A 457 4.393 5.535 4.582 1.00 11.13 H new ATOM 0 HD12 LEU A 457 5.680 4.406 4.096 1.00 11.13 H new ATOM 0 HD13 LEU A 457 5.511 4.881 5.802 1.00 11.13 H new ATOM 0 HD21 LEU A 457 4.960 7.897 5.192 1.00 33.15 H new ATOM 0 HD22 LEU A 457 6.109 7.371 6.446 1.00 33.15 H new ATOM 0 HD23 LEU A 457 6.646 8.463 5.147 1.00 33.15 H new ATOM 2296 N THR A 458 11.030 5.801 4.588 1.00 54.40 N ATOM 2297 CA THR A 458 12.284 5.235 5.126 1.00 45.11 C ATOM 2298 C THR A 458 13.371 6.317 5.201 1.00 72.44 C ATOM 2299 O THR A 458 14.201 6.303 6.113 1.00 14.11 O ATOM 2300 CB THR A 458 12.782 3.980 4.318 1.00 5.30 C ATOM 2301 OG1 THR A 458 13.865 3.348 5.008 1.00 31.21 O ATOM 2302 CG2 THR A 458 13.228 4.309 2.887 1.00 44.03 C ATOM 0 H THR A 458 10.826 5.527 3.627 1.00 54.40 H new ATOM 0 HA THR A 458 12.070 4.882 6.135 1.00 45.11 H new ATOM 0 HB THR A 458 11.925 3.311 4.244 1.00 5.30 H new ATOM 0 HG1 THR A 458 14.167 2.567 4.498 1.00 31.21 H new ATOM 0 HG21 THR A 458 13.558 3.397 2.390 1.00 44.03 H new ATOM 0 HG22 THR A 458 12.393 4.741 2.336 1.00 44.03 H new ATOM 0 HG23 THR A 458 14.050 5.024 2.917 1.00 44.03 H new ATOM 2310 N GLN A 459 13.337 7.267 4.245 1.00 2.12 N ATOM 2311 CA GLN A 459 14.212 8.458 4.269 1.00 21.22 C ATOM 2312 C GLN A 459 13.852 9.383 5.459 1.00 11.30 C ATOM 2313 O GLN A 459 14.736 9.820 6.205 1.00 53.12 O ATOM 2314 CB GLN A 459 14.098 9.222 2.926 1.00 62.43 C ATOM 2315 CG GLN A 459 14.602 8.446 1.694 1.00 11.44 C ATOM 2316 CD GLN A 459 14.391 9.182 0.357 1.00 61.11 C ATOM 2317 OE1 GLN A 459 13.312 9.952 0.236 1.00 1.14 O flip ATOM 2318 NE2 GLN A 459 15.184 9.039 -0.574 1.00 35.51 N flip ATOM 0 H GLN A 459 12.709 7.232 3.442 1.00 2.12 H new ATOM 0 HA GLN A 459 15.243 8.131 4.401 1.00 21.22 H new ATOM 0 HB2 GLN A 459 13.054 9.492 2.765 1.00 62.43 H new ATOM 0 HB3 GLN A 459 14.659 10.153 3.005 1.00 62.43 H new ATOM 0 HG2 GLN A 459 15.665 8.239 1.818 1.00 11.44 H new ATOM 0 HG3 GLN A 459 14.092 7.483 1.651 1.00 11.44 H new ATOM 0 HE21 GLN A 459 16.004 8.444 -0.458 1.00 35.51 H new ATOM 0 HE22 GLN A 459 15.021 9.516 -1.461 1.00 35.51 H new ATOM 2327 N GLN A 460 12.534 9.645 5.637 1.00 74.43 N ATOM 2328 CA GLN A 460 12.005 10.467 6.755 1.00 34.40 C ATOM 2329 C GLN A 460 12.226 9.762 8.103 1.00 73.33 C ATOM 2330 O GLN A 460 12.428 10.414 9.128 1.00 51.51 O ATOM 2331 CB GLN A 460 10.491 10.758 6.553 1.00 53.15 C ATOM 2332 CG GLN A 460 9.844 11.669 7.626 1.00 51.34 C ATOM 2333 CD GLN A 460 10.429 13.087 7.664 1.00 74.20 C ATOM 2334 OE1 GLN A 460 11.455 13.292 8.474 1.00 45.11 O flip ATOM 2335 NE2 GLN A 460 9.958 13.989 6.967 1.00 11.24 N flip ATOM 0 H GLN A 460 11.809 9.294 5.012 1.00 74.43 H new ATOM 0 HA GLN A 460 12.548 11.412 6.762 1.00 34.40 H new ATOM 0 HB2 GLN A 460 10.354 11.221 5.576 1.00 53.15 H new ATOM 0 HB3 GLN A 460 9.955 9.809 6.534 1.00 53.15 H new ATOM 0 HG2 GLN A 460 8.772 11.732 7.438 1.00 51.34 H new ATOM 0 HG3 GLN A 460 9.969 11.207 8.605 1.00 51.34 H new ATOM 0 HE21 GLN A 460 9.166 13.798 6.353 1.00 11.24 H new ATOM 0 HE22 GLN A 460 10.360 14.926 7.005 1.00 11.24 H new ATOM 2344 N PHE A 461 12.178 8.421 8.077 1.00 55.13 N ATOM 2345 CA PHE A 461 12.427 7.579 9.256 1.00 61.43 C ATOM 2346 C PHE A 461 13.858 7.785 9.736 1.00 44.42 C ATOM 2347 O PHE A 461 14.077 8.165 10.875 1.00 15.42 O ATOM 2348 CB PHE A 461 12.182 6.081 8.922 1.00 45.35 C ATOM 2349 CG PHE A 461 12.526 5.095 10.039 1.00 62.11 C ATOM 2350 CD1 PHE A 461 12.009 5.257 11.321 1.00 23.35 C ATOM 2351 CD2 PHE A 461 13.360 4.003 9.801 1.00 24.15 C ATOM 2352 CE1 PHE A 461 12.325 4.366 12.322 1.00 11.23 C ATOM 2353 CE2 PHE A 461 13.671 3.114 10.809 1.00 71.34 C ATOM 2354 CZ PHE A 461 13.151 3.294 12.069 1.00 21.10 C ATOM 0 H PHE A 461 11.964 7.889 7.234 1.00 55.13 H new ATOM 0 HA PHE A 461 11.736 7.868 10.048 1.00 61.43 H new ATOM 0 HB2 PHE A 461 11.132 5.952 8.657 1.00 45.35 H new ATOM 0 HB3 PHE A 461 12.767 5.823 8.039 1.00 45.35 H new ATOM 0 HD1 PHE A 461 11.354 6.089 11.533 1.00 23.35 H new ATOM 0 HD2 PHE A 461 13.768 3.851 8.813 1.00 24.15 H new ATOM 0 HE1 PHE A 461 11.922 4.509 13.314 1.00 11.23 H new ATOM 0 HE2 PHE A 461 14.323 2.277 10.608 1.00 71.34 H new ATOM 0 HZ PHE A 461 13.390 2.596 12.858 1.00 21.10 H new ATOM 2364 N THR A 462 14.811 7.584 8.814 1.00 75.01 N ATOM 2365 CA THR A 462 16.244 7.634 9.116 1.00 51.14 C ATOM 2366 C THR A 462 16.675 9.056 9.537 1.00 5.11 C ATOM 2367 O THR A 462 17.523 9.209 10.416 1.00 3.14 O ATOM 2368 CB THR A 462 17.069 7.131 7.881 1.00 4.54 C ATOM 2369 OG1 THR A 462 16.574 5.838 7.473 1.00 53.12 O ATOM 2370 CG2 THR A 462 18.573 6.995 8.184 1.00 21.24 C ATOM 0 H THR A 462 14.606 7.382 7.836 1.00 75.01 H new ATOM 0 HA THR A 462 16.446 6.973 9.959 1.00 51.14 H new ATOM 0 HB THR A 462 16.948 7.875 7.094 1.00 4.54 H new ATOM 0 HG1 THR A 462 15.739 5.950 6.973 1.00 53.12 H new ATOM 0 HG21 THR A 462 19.093 6.643 7.293 1.00 21.24 H new ATOM 0 HG22 THR A 462 18.974 7.965 8.479 1.00 21.24 H new ATOM 0 HG23 THR A 462 18.718 6.280 8.994 1.00 21.24 H new ATOM 2378 N ALA A 463 16.042 10.085 8.940 1.00 11.05 N ATOM 2379 CA ALA A 463 16.384 11.493 9.207 1.00 32.14 C ATOM 2380 C ALA A 463 15.780 11.984 10.537 1.00 11.24 C ATOM 2381 O ALA A 463 16.510 12.431 11.429 1.00 43.24 O ATOM 2382 CB ALA A 463 15.909 12.372 8.041 1.00 71.14 C ATOM 0 H ALA A 463 15.286 9.964 8.266 1.00 11.05 H new ATOM 0 HA ALA A 463 17.468 11.568 9.297 1.00 32.14 H new ATOM 0 HB1 ALA A 463 16.164 13.412 8.242 1.00 71.14 H new ATOM 0 HB2 ALA A 463 16.397 12.051 7.121 1.00 71.14 H new ATOM 0 HB3 ALA A 463 14.829 12.278 7.931 1.00 71.14 H new ATOM 2388 N MET A 464 14.446 11.837 10.696 1.00 23.44 N ATOM 2389 CA MET A 464 13.734 12.331 11.903 1.00 54.40 C ATOM 2390 C MET A 464 14.204 11.575 13.161 1.00 62.23 C ATOM 2391 O MET A 464 14.244 12.142 14.249 1.00 40.34 O ATOM 2392 CB MET A 464 12.190 12.236 11.734 1.00 41.35 C ATOM 2393 CG MET A 464 11.368 12.813 12.908 1.00 3.22 C ATOM 2394 SD MET A 464 9.595 12.890 12.568 1.00 14.32 S ATOM 2395 CE MET A 464 9.194 11.185 12.200 1.00 11.34 C ATOM 0 H MET A 464 13.841 11.384 10.011 1.00 23.44 H new ATOM 0 HA MET A 464 13.982 13.385 12.028 1.00 54.40 H new ATOM 0 HB2 MET A 464 11.907 12.759 10.820 1.00 41.35 H new ATOM 0 HB3 MET A 464 11.918 11.189 11.600 1.00 41.35 H new ATOM 0 HG2 MET A 464 11.535 12.201 13.795 1.00 3.22 H new ATOM 0 HG3 MET A 464 11.731 13.815 13.139 1.00 3.22 H new ATOM 0 HE1 MET A 464 8.111 11.069 12.149 1.00 11.34 H new ATOM 0 HE2 MET A 464 9.634 10.906 11.243 1.00 11.34 H new ATOM 0 HE3 MET A 464 9.592 10.540 12.984 1.00 11.34 H new ATOM 2405 N ASN A 465 14.579 10.296 12.976 1.00 22.22 N ATOM 2406 CA ASN A 465 15.180 9.470 14.043 1.00 31.23 C ATOM 2407 C ASN A 465 16.644 9.924 14.283 1.00 21.44 C ATOM 2408 O ASN A 465 16.933 10.547 15.307 1.00 71.45 O ATOM 2409 CB ASN A 465 15.105 7.965 13.652 1.00 35.14 C ATOM 2410 CG ASN A 465 15.480 6.973 14.752 1.00 42.21 C ATOM 2411 OD1 ASN A 465 16.269 7.254 15.651 1.00 5.21 O ATOM 2412 ND2 ASN A 465 14.948 5.769 14.652 1.00 34.40 N ATOM 0 H ASN A 465 14.475 9.806 12.087 1.00 22.22 H new ATOM 0 HA ASN A 465 14.625 9.600 14.972 1.00 31.23 H new ATOM 0 HB2 ASN A 465 14.090 7.745 13.321 1.00 35.14 H new ATOM 0 HB3 ASN A 465 15.762 7.798 12.798 1.00 35.14 H new ATOM 0 HD21 ASN A 465 15.190 5.047 15.331 1.00 34.40 H new ATOM 0 HD22 ASN A 465 14.295 5.561 13.896 1.00 34.40 H new ATOM 2419 N LYS A 466 17.560 9.624 13.325 1.00 44.33 N ATOM 2420 CA LYS A 466 18.995 9.997 13.433 1.00 34.03 C ATOM 2421 C LYS A 466 19.487 10.835 12.206 1.00 43.21 C ATOM 2422 O LYS A 466 20.120 10.302 11.282 1.00 71.15 O ATOM 2423 CB LYS A 466 19.889 8.723 13.667 1.00 75.42 C ATOM 2424 CG LYS A 466 19.719 7.564 12.632 1.00 65.50 C ATOM 2425 CD LYS A 466 18.688 6.494 13.067 1.00 4.25 C ATOM 2426 CE LYS A 466 19.137 5.728 14.328 1.00 33.02 C ATOM 2427 NZ LYS A 466 18.143 4.694 14.746 1.00 53.23 N ATOM 0 H LYS A 466 17.329 9.123 12.467 1.00 44.33 H new ATOM 0 HA LYS A 466 19.097 10.643 14.305 1.00 34.03 H new ATOM 0 HB2 LYS A 466 20.934 9.033 13.667 1.00 75.42 H new ATOM 0 HB3 LYS A 466 19.673 8.330 14.661 1.00 75.42 H new ATOM 0 HG2 LYS A 466 19.412 7.985 11.674 1.00 65.50 H new ATOM 0 HG3 LYS A 466 20.685 7.084 12.474 1.00 65.50 H new ATOM 0 HD2 LYS A 466 17.728 6.974 13.258 1.00 4.25 H new ATOM 0 HD3 LYS A 466 18.534 5.788 12.251 1.00 4.25 H new ATOM 0 HE2 LYS A 466 20.098 5.249 14.137 1.00 33.02 H new ATOM 0 HE3 LYS A 466 19.289 6.434 15.145 1.00 33.02 H new ATOM 0 HZ1 LYS A 466 18.618 3.966 15.317 1.00 53.23 H new ATOM 0 HZ2 LYS A 466 17.393 5.142 15.311 1.00 53.23 H new ATOM 0 HZ3 LYS A 466 17.725 4.253 13.902 1.00 53.23 H new ATOM 2441 N SER A 467 19.151 12.143 12.170 1.00 43.41 N ATOM 2442 CA SER A 467 19.788 13.094 11.227 1.00 20.31 C ATOM 2443 C SER A 467 21.148 13.553 11.808 1.00 13.20 C ATOM 2444 O SER A 467 22.206 13.149 11.286 1.00 71.33 O ATOM 2445 CB SER A 467 18.867 14.314 10.943 1.00 42.03 C ATOM 2446 OG SER A 467 19.354 15.093 9.861 1.00 74.32 O ATOM 2447 OXT SER A 467 21.153 14.278 12.827 1.00 37.89 O ATOM 0 H SER A 467 18.448 12.564 12.777 1.00 43.41 H new ATOM 0 HA SER A 467 19.953 12.589 10.275 1.00 20.31 H new ATOM 0 HB2 SER A 467 17.859 13.966 10.717 1.00 42.03 H new ATOM 0 HB3 SER A 467 18.797 14.934 11.837 1.00 42.03 H new ATOM 0 HG SER A 467 18.752 15.851 9.707 1.00 74.32 H new