USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1234 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 460 GLN : amide:sc= -1.44 K(o=-2.9,f=-4.4) USER MOD Set 1.2: A 464 MET CE :methyl -123:sc= -1.43 (180deg=-0.143) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 180:sc= 1.01 (180deg=-0.024) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.852 K(o=1.9,f=-3) USER MOD Set 3.1: A 18 SER OG : rot -79:sc= 0.705 USER MOD Set 3.2: A 40 TYR OH : rot 7:sc= 1.06 USER MOD Set 3.3: A 71 THR OG1 : rot 101:sc= 0.705 USER MOD Set 3.4: A 74 ASN :FLIP amide:sc= 0.249 F(o=1.9,f=2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -118:sc= 0.76 USER MOD Single : A 9 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.42) USER MOD Single : A 12 GLN : amide:sc= 0.0932 K(o=0.093,f=-1.6) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0311 F(o=-1,f=-0.031) USER MOD Single : A 20 SER OG : rot 71:sc= 1.2 USER MOD Single : A 26 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.011) USER MOD Single : A 36 GLN : amide:sc= -0.0177 K(o=-0.018,f=-1.6!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 43 SER OG : rot 74:sc= 0.951 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -131:sc= -0.442 (180deg=-3.32!) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= 0.0207 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.0024) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 130:sc= 0.643 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.328 K(o=0.33,f=-3.3!) USER MOD Single : A 63 MET CE :methyl 180:sc= -4.07! (180deg=-4.07!) 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= -0.406 F(o=-1.6,f=-0.41) USER MOD Single : A 76 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.56,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= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 99 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.32) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 59:sc= 0.327 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00198) USER MOD Single : A 439 GLN : amide:sc= -0.0142 K(o=-0.014,f=-2!) USER MOD Single : A 441 THR OG1 : rot 84:sc= 0.531 USER MOD Single : A 442 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -114:sc= 0 (180deg=-0.925) USER MOD Single : A 447 MET CE :methyl -120:sc= -1.54 (180deg=-3.69!) USER MOD Single : A 448 SER OG : rot 180:sc=0.000431 USER MOD Single : A 449 LYS NZ :NH3+ 174:sc= 0.57 (180deg=0.549) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 453 THR OG1 : rot 147:sc= -1.48! USER MOD Single : A 454 SER OG : rot -87:sc= 0.487 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc=-0.00493 F(o=-1.4,f=-0.0049) USER MOD Single : A 462 THR OG1 : rot 64:sc= 1.14 USER MOD Single : A 465 ASN : amide:sc= 0.078 K(o=0.078,f=-1.1) USER MOD Single : A 466 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0252) USER MOD Single : A 467 SER OG : rot 7:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.852 21.597 21.781 1.00 14.44 N ATOM 2 CA MET A 1 -0.093 21.231 20.568 1.00 41.54 C ATOM 3 C MET A 1 -0.963 20.367 19.620 1.00 31.24 C ATOM 4 O MET A 1 -0.909 19.127 19.633 1.00 12.14 O ATOM 5 CB MET A 1 1.250 20.539 20.960 1.00 74.11 C ATOM 6 CG MET A 1 1.120 19.320 21.889 1.00 3.54 C ATOM 7 SD MET A 1 2.705 18.518 22.207 1.00 34.24 S ATOM 8 CE MET A 1 2.181 17.068 23.121 1.00 31.02 C ATOM 0 H1 MET A 1 -0.253 22.176 22.404 1.00 14.44 H new ATOM 0 H2 MET A 1 -1.697 22.140 21.511 1.00 14.44 H new ATOM 0 H3 MET A 1 -1.141 20.733 22.283 1.00 14.44 H new ATOM 0 HA MET A 1 0.165 22.134 20.015 1.00 41.54 H new ATOM 0 HB2 MET A 1 1.757 20.226 20.047 1.00 74.11 H new ATOM 0 HB3 MET A 1 1.891 21.276 21.444 1.00 74.11 H new ATOM 0 HG2 MET A 1 0.680 19.634 22.835 1.00 3.54 H new ATOM 0 HG3 MET A 1 0.435 18.599 21.443 1.00 3.54 H new ATOM 0 HE1 MET A 1 3.053 16.471 23.388 1.00 31.02 H new ATOM 0 HE2 MET A 1 1.661 17.378 24.028 1.00 31.02 H new ATOM 0 HE3 MET A 1 1.509 16.472 22.504 1.00 31.02 H new ATOM 20 N THR A 2 -1.802 21.051 18.808 1.00 14.23 N ATOM 21 CA THR A 2 -2.743 20.397 17.872 1.00 50.12 C ATOM 22 C THR A 2 -1.997 19.616 16.773 1.00 23.11 C ATOM 23 O THR A 2 -2.328 18.461 16.498 1.00 22.41 O ATOM 24 CB THR A 2 -3.709 21.444 17.219 1.00 50.42 C ATOM 25 OG1 THR A 2 -2.945 22.534 16.673 1.00 22.12 O ATOM 26 CG2 THR A 2 -4.745 21.995 18.219 1.00 12.53 C ATOM 0 H THR A 2 -1.845 22.070 18.784 1.00 14.23 H new ATOM 0 HA THR A 2 -3.333 19.690 18.455 1.00 50.12 H new ATOM 0 HB THR A 2 -4.256 20.929 16.429 1.00 50.42 H new ATOM 0 HG1 THR A 2 -3.552 23.186 16.264 1.00 22.12 H new ATOM 0 HG21 THR A 2 -5.389 22.716 17.715 1.00 12.53 H new ATOM 0 HG22 THR A 2 -5.351 21.175 18.605 1.00 12.53 H new ATOM 0 HG23 THR A 2 -4.229 22.484 19.045 1.00 12.53 H new ATOM 34 N SER A 3 -0.971 20.258 16.179 1.00 13.35 N ATOM 35 CA SER A 3 -0.155 19.676 15.094 1.00 53.11 C ATOM 36 C SER A 3 0.602 18.419 15.571 1.00 14.45 C ATOM 37 O SER A 3 0.714 17.425 14.842 1.00 21.20 O ATOM 38 CB SER A 3 0.846 20.731 14.564 1.00 42.25 C ATOM 39 OG SER A 3 0.187 21.927 14.168 1.00 32.54 O ATOM 0 H SER A 3 -0.683 21.201 16.440 1.00 13.35 H new ATOM 0 HA SER A 3 -0.826 19.377 14.289 1.00 53.11 H new ATOM 0 HB2 SER A 3 1.579 20.958 15.338 1.00 42.25 H new ATOM 0 HB3 SER A 3 1.394 20.319 13.716 1.00 42.25 H new ATOM 0 HG SER A 3 0.848 22.572 13.840 1.00 32.54 H new ATOM 45 N THR A 4 1.096 18.477 16.810 1.00 1.35 N ATOM 46 CA THR A 4 1.915 17.416 17.397 1.00 42.21 C ATOM 47 C THR A 4 1.058 16.198 17.814 1.00 4.34 C ATOM 48 O THR A 4 1.502 15.056 17.667 1.00 32.13 O ATOM 49 CB THR A 4 2.717 17.979 18.607 1.00 73.41 C ATOM 50 OG1 THR A 4 3.384 19.194 18.208 1.00 24.22 O ATOM 51 CG2 THR A 4 3.757 16.980 19.148 1.00 21.11 C ATOM 0 H THR A 4 0.938 19.266 17.437 1.00 1.35 H new ATOM 0 HA THR A 4 2.617 17.065 16.640 1.00 42.21 H new ATOM 0 HB THR A 4 2.005 18.171 19.410 1.00 73.41 H new ATOM 0 HG1 THR A 4 4.354 19.074 18.282 1.00 24.22 H new ATOM 0 HG21 THR A 4 4.286 17.426 19.990 1.00 21.11 H new ATOM 0 HG22 THR A 4 3.252 16.071 19.476 1.00 21.11 H new ATOM 0 HG23 THR A 4 4.470 16.735 18.361 1.00 21.11 H new ATOM 59 N VAL A 5 -0.184 16.435 18.304 1.00 12.55 N ATOM 60 CA VAL A 5 -1.066 15.328 18.745 1.00 43.01 C ATOM 61 C VAL A 5 -1.661 14.583 17.530 1.00 31.14 C ATOM 62 O VAL A 5 -1.719 13.353 17.533 1.00 0.45 O ATOM 63 CB VAL A 5 -2.201 15.791 19.746 1.00 55.12 C ATOM 64 CG1 VAL A 5 -3.245 16.724 19.091 1.00 41.42 C ATOM 65 CG2 VAL A 5 -2.888 14.569 20.417 1.00 64.23 C ATOM 0 H VAL A 5 -0.591 17.365 18.402 1.00 12.55 H new ATOM 0 HA VAL A 5 -0.436 14.637 19.305 1.00 43.01 H new ATOM 0 HB VAL A 5 -1.706 16.379 20.519 1.00 55.12 H new ATOM 0 HG11 VAL A 5 -3.996 17.005 19.830 1.00 41.42 H new ATOM 0 HG12 VAL A 5 -2.749 17.620 18.718 1.00 41.42 H new ATOM 0 HG13 VAL A 5 -3.728 16.205 18.263 1.00 41.42 H new ATOM 0 HG21 VAL A 5 -3.663 14.917 21.100 1.00 64.23 H new ATOM 0 HG22 VAL A 5 -3.336 13.937 19.650 1.00 64.23 H new ATOM 0 HG23 VAL A 5 -2.147 13.995 20.973 1.00 64.23 H new ATOM 75 N GLU A 6 -2.057 15.331 16.470 1.00 53.54 N ATOM 76 CA GLU A 6 -2.588 14.729 15.220 1.00 4.02 C ATOM 77 C GLU A 6 -1.474 13.944 14.493 1.00 5.13 C ATOM 78 O GLU A 6 -1.740 12.954 13.809 1.00 35.45 O ATOM 79 CB GLU A 6 -3.200 15.819 14.296 1.00 12.34 C ATOM 80 CG GLU A 6 -2.187 16.849 13.765 1.00 4.14 C ATOM 81 CD GLU A 6 -2.805 17.972 12.919 1.00 25.13 C ATOM 82 OE1 GLU A 6 -3.472 18.859 13.484 1.00 2.13 O ATOM 83 OE2 GLU A 6 -2.606 17.984 11.682 1.00 13.22 O ATOM 0 H GLU A 6 -2.019 16.350 16.455 1.00 53.54 H new ATOM 0 HA GLU A 6 -3.385 14.033 15.480 1.00 4.02 H new ATOM 0 HB2 GLU A 6 -3.680 15.331 13.448 1.00 12.34 H new ATOM 0 HB3 GLU A 6 -3.981 16.346 14.845 1.00 12.34 H new ATOM 0 HG2 GLU A 6 -1.664 17.295 14.611 1.00 4.14 H new ATOM 0 HG3 GLU A 6 -1.440 16.329 13.166 1.00 4.14 H new ATOM 90 N PHE A 7 -0.227 14.428 14.657 1.00 40.13 N ATOM 91 CA PHE A 7 0.996 13.732 14.230 1.00 70.42 C ATOM 92 C PHE A 7 1.098 12.329 14.898 1.00 44.12 C ATOM 93 O PHE A 7 1.234 11.325 14.188 1.00 40.34 O ATOM 94 CB PHE A 7 2.207 14.647 14.569 1.00 25.52 C ATOM 95 CG PHE A 7 3.596 14.047 14.402 1.00 4.44 C ATOM 96 CD1 PHE A 7 4.313 14.195 13.217 1.00 21.44 C ATOM 97 CD2 PHE A 7 4.209 13.372 15.459 1.00 64.10 C ATOM 98 CE1 PHE A 7 5.591 13.685 13.099 1.00 12.21 C ATOM 99 CE2 PHE A 7 5.477 12.862 15.328 1.00 63.43 C ATOM 100 CZ PHE A 7 6.169 13.022 14.151 1.00 12.11 C ATOM 0 H PHE A 7 -0.042 15.329 15.098 1.00 40.13 H new ATOM 0 HA PHE A 7 0.982 13.548 13.156 1.00 70.42 H new ATOM 0 HB2 PHE A 7 2.145 15.537 13.942 1.00 25.52 H new ATOM 0 HB3 PHE A 7 2.103 14.977 15.603 1.00 25.52 H new ATOM 0 HD1 PHE A 7 3.865 14.714 12.382 1.00 21.44 H new ATOM 0 HD2 PHE A 7 3.679 13.249 16.392 1.00 64.10 H new ATOM 0 HE1 PHE A 7 6.137 13.809 12.175 1.00 12.21 H new ATOM 0 HE2 PHE A 7 5.932 12.333 16.152 1.00 63.43 H new ATOM 0 HZ PHE A 7 7.169 12.625 14.055 1.00 12.11 H new ATOM 110 N ILE A 8 0.995 12.287 16.259 1.00 10.11 N ATOM 111 CA ILE A 8 1.038 11.026 17.058 1.00 41.10 C ATOM 112 C ILE A 8 0.011 10.014 16.523 1.00 11.44 C ATOM 113 O ILE A 8 0.354 8.893 16.121 1.00 32.41 O ATOM 114 CB ILE A 8 0.696 11.280 18.589 1.00 0.32 C ATOM 115 CG1 ILE A 8 1.670 12.303 19.237 1.00 14.53 C ATOM 116 CG2 ILE A 8 0.675 9.953 19.397 1.00 51.22 C ATOM 117 CD1 ILE A 8 1.266 12.763 20.632 1.00 52.55 C ATOM 0 H ILE A 8 0.880 13.124 16.831 1.00 10.11 H new ATOM 0 HA ILE A 8 2.054 10.640 16.968 1.00 41.10 H new ATOM 0 HB ILE A 8 -0.305 11.710 18.621 1.00 0.32 H new ATOM 0 HG12 ILE A 8 2.663 11.857 19.289 1.00 14.53 H new ATOM 0 HG13 ILE A 8 1.745 13.175 18.588 1.00 14.53 H new ATOM 0 HG21 ILE A 8 0.438 10.165 20.439 1.00 51.22 H new ATOM 0 HG22 ILE A 8 -0.080 9.286 18.982 1.00 51.22 H new ATOM 0 HG23 ILE A 8 1.653 9.475 19.338 1.00 51.22 H new ATOM 0 HD11 ILE A 8 2.001 13.475 21.008 1.00 52.55 H new ATOM 0 HD12 ILE A 8 0.287 13.241 20.588 1.00 52.55 H new ATOM 0 HD13 ILE A 8 1.220 11.903 21.300 1.00 52.55 H new ATOM 129 N ASN A 9 -1.248 10.482 16.519 1.00 0.30 N ATOM 130 CA ASN A 9 -2.439 9.678 16.231 1.00 73.12 C ATOM 131 C ASN A 9 -2.380 9.045 14.837 1.00 4.02 C ATOM 132 O ASN A 9 -2.607 7.845 14.700 1.00 13.54 O ATOM 133 CB ASN A 9 -3.712 10.555 16.381 1.00 21.23 C ATOM 134 CG ASN A 9 -3.885 11.130 17.793 1.00 4.13 C ATOM 135 OD1 ASN A 9 -3.481 10.518 18.787 1.00 41.43 O ATOM 136 ND2 ASN A 9 -4.468 12.314 17.892 1.00 61.24 N ATOM 0 H ASN A 9 -1.467 11.457 16.722 1.00 0.30 H new ATOM 0 HA ASN A 9 -2.476 8.861 16.951 1.00 73.12 H new ATOM 0 HB2 ASN A 9 -3.667 11.375 15.664 1.00 21.23 H new ATOM 0 HB3 ASN A 9 -4.589 9.958 16.128 1.00 21.23 H new ATOM 0 HD21 ASN A 9 -4.594 12.745 18.808 1.00 61.24 H new ATOM 0 HD22 ASN A 9 -4.791 12.795 17.053 1.00 61.24 H new ATOM 143 N ARG A 10 -2.032 9.853 13.814 1.00 53.10 N ATOM 144 CA ARG A 10 -2.016 9.392 12.412 1.00 74.20 C ATOM 145 C ARG A 10 -0.874 8.406 12.143 1.00 12.30 C ATOM 146 O ARG A 10 -1.114 7.400 11.500 1.00 52.11 O ATOM 147 CB ARG A 10 -1.957 10.573 11.417 1.00 42.01 C ATOM 148 CG ARG A 10 -3.241 11.425 11.381 1.00 53.31 C ATOM 149 CD ARG A 10 -3.168 12.528 10.325 1.00 22.43 C ATOM 150 NE ARG A 10 -2.018 13.427 10.549 1.00 64.33 N ATOM 151 CZ ARG A 10 -2.091 14.750 10.704 1.00 43.44 C ATOM 152 NH1 ARG A 10 -3.259 15.370 10.670 1.00 64.15 N ATOM 153 NH2 ARG A 10 -0.987 15.451 10.914 1.00 12.53 N ATOM 0 H ARG A 10 -1.758 10.828 13.934 1.00 53.10 H new ATOM 0 HA ARG A 10 -2.957 8.865 12.253 1.00 74.20 H new ATOM 0 HB2 ARG A 10 -1.115 11.214 11.679 1.00 42.01 H new ATOM 0 HB3 ARG A 10 -1.763 10.184 10.418 1.00 42.01 H new ATOM 0 HG2 ARG A 10 -4.097 10.782 11.175 1.00 53.31 H new ATOM 0 HG3 ARG A 10 -3.407 11.872 12.361 1.00 53.31 H new ATOM 0 HD2 ARG A 10 -3.091 12.079 9.335 1.00 22.43 H new ATOM 0 HD3 ARG A 10 -4.091 13.108 10.341 1.00 22.43 H new ATOM 0 HE ARG A 10 -1.092 13.001 10.588 1.00 64.33 H new ATOM 0 HH11 ARG A 10 -4.116 14.836 10.524 1.00 64.15 H new ATOM 0 HH12 ARG A 10 -3.303 16.382 10.790 1.00 64.15 H new ATOM 0 HH21 ARG A 10 -0.084 14.979 10.957 1.00 12.53 H new ATOM 0 HH22 ARG A 10 -1.040 16.463 11.033 1.00 12.53 H new ATOM 167 N TRP A 11 0.356 8.687 12.641 1.00 63.30 N ATOM 168 CA TRP A 11 1.502 7.738 12.496 1.00 72.01 C ATOM 169 C TRP A 11 1.194 6.398 13.179 1.00 33.14 C ATOM 170 O TRP A 11 1.583 5.325 12.686 1.00 62.13 O ATOM 171 CB TRP A 11 2.819 8.319 13.071 1.00 25.12 C ATOM 172 CG TRP A 11 3.501 9.333 12.184 1.00 34.33 C ATOM 173 CD1 TRP A 11 3.708 10.649 12.451 1.00 14.35 C ATOM 174 CD2 TRP A 11 4.078 9.102 10.886 1.00 53.10 C ATOM 175 NE1 TRP A 11 4.381 11.244 11.422 1.00 53.43 N ATOM 176 CE2 TRP A 11 4.622 10.321 10.449 1.00 33.22 C ATOM 177 CE3 TRP A 11 4.199 7.983 10.058 1.00 72.45 C ATOM 178 CZ2 TRP A 11 5.281 10.460 9.234 1.00 32.21 C ATOM 179 CZ3 TRP A 11 4.840 8.120 8.842 1.00 64.03 C ATOM 180 CH2 TRP A 11 5.372 9.352 8.439 1.00 30.42 C ATOM 0 H TRP A 11 0.584 9.547 13.140 1.00 63.30 H new ATOM 0 HA TRP A 11 1.640 7.578 11.427 1.00 72.01 H new ATOM 0 HB2 TRP A 11 2.606 8.784 14.034 1.00 25.12 H new ATOM 0 HB3 TRP A 11 3.511 7.498 13.260 1.00 25.12 H new ATOM 0 HD1 TRP A 11 3.386 11.153 13.350 1.00 14.35 H new ATOM 0 HE1 TRP A 11 4.659 12.225 11.387 1.00 53.43 H new ATOM 0 HE3 TRP A 11 3.798 7.028 10.363 1.00 72.45 H new ATOM 0 HZ2 TRP A 11 5.704 11.406 8.930 1.00 32.21 H new ATOM 0 HZ3 TRP A 11 4.933 7.263 8.191 1.00 64.03 H new ATOM 0 HH2 TRP A 11 5.864 9.428 7.481 1.00 30.42 H new ATOM 191 N GLN A 12 0.484 6.487 14.316 1.00 3.51 N ATOM 192 CA GLN A 12 -0.019 5.325 15.047 1.00 31.02 C ATOM 193 C GLN A 12 -0.972 4.525 14.148 1.00 71.11 C ATOM 194 O GLN A 12 -0.815 3.316 14.006 1.00 75.32 O ATOM 195 CB GLN A 12 -0.727 5.781 16.347 1.00 12.33 C ATOM 196 CG GLN A 12 -1.265 4.643 17.228 1.00 1.40 C ATOM 197 CD GLN A 12 -1.967 5.135 18.494 1.00 3.24 C ATOM 198 OE1 GLN A 12 -2.561 6.213 18.516 1.00 12.42 O ATOM 199 NE2 GLN A 12 -1.923 4.345 19.549 1.00 54.41 N ATOM 0 H GLN A 12 0.244 7.377 14.752 1.00 3.51 H new ATOM 0 HA GLN A 12 0.814 4.680 15.327 1.00 31.02 H new ATOM 0 HB2 GLN A 12 -0.027 6.375 16.935 1.00 12.33 H new ATOM 0 HB3 GLN A 12 -1.556 6.437 16.080 1.00 12.33 H new ATOM 0 HG2 GLN A 12 -1.962 4.041 16.645 1.00 1.40 H new ATOM 0 HG3 GLN A 12 -0.439 3.990 17.510 1.00 1.40 H new ATOM 0 HE21 GLN A 12 -1.423 3.457 19.501 1.00 54.41 H new ATOM 0 HE22 GLN A 12 -2.389 4.622 20.413 1.00 54.41 H new ATOM 208 N ARG A 13 -1.918 5.239 13.490 1.00 21.52 N ATOM 209 CA ARG A 13 -2.887 4.622 12.563 1.00 31.13 C ATOM 210 C ARG A 13 -2.171 3.991 11.355 1.00 62.00 C ATOM 211 O ARG A 13 -2.571 2.944 10.903 1.00 14.13 O ATOM 212 CB ARG A 13 -3.947 5.641 12.052 1.00 33.24 C ATOM 213 CG ARG A 13 -4.831 6.286 13.140 1.00 31.22 C ATOM 214 CD ARG A 13 -5.573 5.266 14.020 1.00 5.20 C ATOM 215 NE ARG A 13 -6.403 5.917 15.050 1.00 63.04 N ATOM 216 CZ ARG A 13 -5.946 6.471 16.185 1.00 43.42 C ATOM 217 NH1 ARG A 13 -4.646 6.480 16.482 1.00 44.11 N ATOM 218 NH2 ARG A 13 -6.806 7.013 17.030 1.00 50.45 N ATOM 0 H ARG A 13 -2.027 6.248 13.588 1.00 21.52 H new ATOM 0 HA ARG A 13 -3.402 3.847 13.130 1.00 31.13 H new ATOM 0 HB2 ARG A 13 -3.431 6.434 11.511 1.00 33.24 H new ATOM 0 HB3 ARG A 13 -4.595 5.136 11.335 1.00 33.24 H new ATOM 0 HG2 ARG A 13 -4.208 6.915 13.776 1.00 31.22 H new ATOM 0 HG3 ARG A 13 -5.561 6.939 12.662 1.00 31.22 H new ATOM 0 HD2 ARG A 13 -6.204 4.638 13.391 1.00 5.20 H new ATOM 0 HD3 ARG A 13 -4.848 4.609 14.502 1.00 5.20 H new ATOM 0 HE ARG A 13 -7.409 5.949 14.887 1.00 63.04 H new ATOM 0 HH11 ARG A 13 -3.973 6.060 15.841 1.00 44.11 H new ATOM 0 HH12 ARG A 13 -4.324 6.907 17.351 1.00 44.11 H new ATOM 0 HH21 ARG A 13 -7.803 7.007 16.816 1.00 50.45 H new ATOM 0 HH22 ARG A 13 -6.472 7.437 17.896 1.00 50.45 H new ATOM 232 N ILE A 14 -1.096 4.640 10.865 1.00 72.13 N ATOM 233 CA ILE A 14 -0.316 4.168 9.699 1.00 44.03 C ATOM 234 C ILE A 14 0.310 2.781 10.001 1.00 31.34 C ATOM 235 O ILE A 14 0.236 1.868 9.178 1.00 44.13 O ATOM 236 CB ILE A 14 0.778 5.243 9.288 1.00 13.40 C ATOM 237 CG1 ILE A 14 0.095 6.544 8.760 1.00 34.14 C ATOM 238 CG2 ILE A 14 1.776 4.708 8.238 1.00 15.35 C ATOM 239 CD1 ILE A 14 1.035 7.700 8.450 1.00 64.41 C ATOM 0 H ILE A 14 -0.742 5.508 11.266 1.00 72.13 H new ATOM 0 HA ILE A 14 -0.983 4.048 8.845 1.00 44.03 H new ATOM 0 HB ILE A 14 1.348 5.469 10.189 1.00 13.40 H new ATOM 0 HG12 ILE A 14 -0.462 6.299 7.856 1.00 34.14 H new ATOM 0 HG13 ILE A 14 -0.631 6.878 9.501 1.00 34.14 H new ATOM 0 HG21 ILE A 14 2.500 5.486 7.995 1.00 15.35 H new ATOM 0 HG22 ILE A 14 2.297 3.840 8.641 1.00 15.35 H new ATOM 0 HG23 ILE A 14 1.236 4.421 7.336 1.00 15.35 H new ATOM 0 HD11 ILE A 14 0.458 8.552 8.091 1.00 64.41 H new ATOM 0 HD12 ILE A 14 1.575 7.982 9.354 1.00 64.41 H new ATOM 0 HD13 ILE A 14 1.747 7.395 7.683 1.00 64.41 H new ATOM 251 N ALA A 15 0.855 2.625 11.222 1.00 73.33 N ATOM 252 CA ALA A 15 1.435 1.346 11.687 1.00 31.22 C ATOM 253 C ALA A 15 0.352 0.267 11.914 1.00 24.41 C ATOM 254 O ALA A 15 0.534 -0.902 11.540 1.00 4.30 O ATOM 255 CB ALA A 15 2.228 1.576 12.972 1.00 11.42 C ATOM 0 H ALA A 15 0.907 3.375 11.911 1.00 73.33 H new ATOM 0 HA ALA A 15 2.100 0.978 10.906 1.00 31.22 H new ATOM 0 HB1 ALA A 15 2.653 0.631 13.311 1.00 11.42 H new ATOM 0 HB2 ALA A 15 3.031 2.288 12.781 1.00 11.42 H new ATOM 0 HB3 ALA A 15 1.566 1.973 13.742 1.00 11.42 H new ATOM 261 N LEU A 16 -0.773 0.681 12.531 1.00 14.41 N ATOM 262 CA LEU A 16 -1.902 -0.217 12.847 1.00 14.14 C ATOM 263 C LEU A 16 -2.574 -0.739 11.561 1.00 35.30 C ATOM 264 O LEU A 16 -2.912 -1.920 11.468 1.00 20.54 O ATOM 265 CB LEU A 16 -2.947 0.514 13.741 1.00 11.20 C ATOM 266 CG LEU A 16 -2.461 0.948 15.165 1.00 42.43 C ATOM 267 CD1 LEU A 16 -3.549 1.758 15.908 1.00 62.12 C ATOM 268 CD2 LEU A 16 -1.999 -0.266 15.996 1.00 24.11 C ATOM 0 H LEU A 16 -0.924 1.646 12.824 1.00 14.41 H new ATOM 0 HA LEU A 16 -1.506 -1.072 13.395 1.00 14.14 H new ATOM 0 HB2 LEU A 16 -3.288 1.403 13.211 1.00 11.20 H new ATOM 0 HB3 LEU A 16 -3.812 -0.139 13.859 1.00 11.20 H new ATOM 0 HG LEU A 16 -1.598 1.601 15.032 1.00 42.43 H new ATOM 0 HD11 LEU A 16 -3.180 2.044 16.893 1.00 62.12 H new ATOM 0 HD12 LEU A 16 -3.790 2.654 15.336 1.00 62.12 H new ATOM 0 HD13 LEU A 16 -4.445 1.147 16.019 1.00 62.12 H new ATOM 0 HD21 LEU A 16 -1.668 0.070 16.979 1.00 24.11 H new ATOM 0 HD22 LEU A 16 -2.828 -0.964 16.112 1.00 24.11 H new ATOM 0 HD23 LEU A 16 -1.174 -0.763 15.486 1.00 24.11 H new ATOM 280 N LEU A 17 -2.721 0.158 10.565 1.00 4.12 N ATOM 281 CA LEU A 17 -3.412 -0.133 9.296 1.00 2.20 C ATOM 282 C LEU A 17 -2.551 -1.033 8.418 1.00 52.23 C ATOM 283 O LEU A 17 -3.062 -2.018 7.908 1.00 50.41 O ATOM 284 CB LEU A 17 -3.802 1.174 8.531 1.00 32.15 C ATOM 285 CG LEU A 17 -4.939 2.029 9.182 1.00 71.00 C ATOM 286 CD1 LEU A 17 -5.180 3.337 8.395 1.00 52.31 C ATOM 287 CD2 LEU A 17 -6.238 1.210 9.327 1.00 52.35 C ATOM 0 H LEU A 17 -2.361 1.111 10.621 1.00 4.12 H new ATOM 0 HA LEU A 17 -4.338 -0.655 9.537 1.00 2.20 H new ATOM 0 HB2 LEU A 17 -2.913 1.797 8.437 1.00 32.15 H new ATOM 0 HB3 LEU A 17 -4.109 0.904 7.521 1.00 32.15 H new ATOM 0 HG LEU A 17 -4.612 2.307 10.184 1.00 71.00 H new ATOM 0 HD11 LEU A 17 -5.976 3.908 8.873 1.00 52.31 H new ATOM 0 HD12 LEU A 17 -4.265 3.929 8.384 1.00 52.31 H new ATOM 0 HD13 LEU A 17 -5.470 3.098 7.372 1.00 52.31 H new ATOM 0 HD21 LEU A 17 -7.010 1.830 9.782 1.00 52.35 H new ATOM 0 HD22 LEU A 17 -6.571 0.879 8.343 1.00 52.35 H new ATOM 0 HD23 LEU A 17 -6.052 0.341 9.958 1.00 52.35 H new ATOM 299 N SER A 18 -1.242 -0.704 8.282 1.00 23.15 N ATOM 300 CA SER A 18 -0.287 -1.511 7.485 1.00 71.34 C ATOM 301 C SER A 18 -0.236 -2.960 7.997 1.00 3.31 C ATOM 302 O SER A 18 -0.228 -3.904 7.208 1.00 42.30 O ATOM 303 CB SER A 18 1.122 -0.893 7.526 1.00 15.34 C ATOM 304 OG SER A 18 1.570 -0.711 8.856 1.00 32.45 O ATOM 0 H SER A 18 -0.823 0.118 8.717 1.00 23.15 H new ATOM 0 HA SER A 18 -0.637 -1.515 6.453 1.00 71.34 H new ATOM 0 HB2 SER A 18 1.819 -1.538 6.991 1.00 15.34 H new ATOM 0 HB3 SER A 18 1.115 0.066 7.009 1.00 15.34 H new ATOM 0 HG SER A 18 1.154 0.091 9.234 1.00 32.45 H new ATOM 310 N GLN A 19 -0.223 -3.091 9.335 1.00 24.22 N ATOM 311 CA GLN A 19 -0.309 -4.383 10.031 1.00 20.41 C ATOM 312 C GLN A 19 -1.613 -5.127 9.666 1.00 4.55 C ATOM 313 O GLN A 19 -1.571 -6.290 9.253 1.00 52.42 O ATOM 314 CB GLN A 19 -0.246 -4.138 11.556 1.00 25.32 C ATOM 315 CG GLN A 19 -0.312 -5.406 12.429 1.00 34.12 C ATOM 316 CD GLN A 19 -0.530 -5.122 13.917 1.00 44.54 C ATOM 317 OE1 GLN A 19 -1.315 -4.087 14.234 1.00 13.13 O flip ATOM 318 NE2 GLN A 19 -0.042 -5.850 14.778 1.00 41.34 N flip ATOM 0 H GLN A 19 -0.152 -2.294 9.968 1.00 24.22 H new ATOM 0 HA GLN A 19 0.528 -5.008 9.720 1.00 20.41 H new ATOM 0 HB2 GLN A 19 0.678 -3.607 11.784 1.00 25.32 H new ATOM 0 HB3 GLN A 19 -1.069 -3.480 11.836 1.00 25.32 H new ATOM 0 HG2 GLN A 19 -1.120 -6.042 12.068 1.00 34.12 H new ATOM 0 HG3 GLN A 19 0.614 -5.968 12.308 1.00 34.12 H new ATOM 0 HE21 GLN A 19 0.553 -6.633 14.507 1.00 41.34 H new ATOM 0 HE22 GLN A 19 -0.232 -5.672 15.764 1.00 41.34 H new ATOM 327 N SER A 20 -2.759 -4.415 9.796 1.00 70.05 N ATOM 328 CA SER A 20 -4.104 -4.981 9.552 1.00 30.21 C ATOM 329 C SER A 20 -4.224 -5.542 8.130 1.00 12.32 C ATOM 330 O SER A 20 -4.563 -6.713 7.938 1.00 71.13 O ATOM 331 CB SER A 20 -5.203 -3.914 9.782 1.00 2.41 C ATOM 332 OG SER A 20 -5.168 -3.409 11.103 1.00 53.14 O ATOM 0 H SER A 20 -2.775 -3.433 10.073 1.00 70.05 H new ATOM 0 HA SER A 20 -4.244 -5.796 10.262 1.00 30.21 H new ATOM 0 HB2 SER A 20 -5.070 -3.095 9.075 1.00 2.41 H new ATOM 0 HB3 SER A 20 -6.182 -4.350 9.584 1.00 2.41 H new ATOM 0 HG SER A 20 -4.371 -2.851 11.219 1.00 53.14 H new ATOM 338 N LEU A 21 -3.892 -4.695 7.144 1.00 73.22 N ATOM 339 CA LEU A 21 -4.050 -5.019 5.726 1.00 25.34 C ATOM 340 C LEU A 21 -2.973 -6.005 5.245 1.00 30.44 C ATOM 341 O LEU A 21 -3.159 -6.646 4.221 1.00 70.24 O ATOM 342 CB LEU A 21 -4.116 -3.713 4.868 1.00 63.30 C ATOM 343 CG LEU A 21 -2.910 -2.703 4.929 1.00 13.20 C ATOM 344 CD1 LEU A 21 -1.681 -3.195 4.170 1.00 63.03 C ATOM 345 CD2 LEU A 21 -3.311 -1.291 4.439 1.00 22.01 C ATOM 0 H LEU A 21 -3.506 -3.766 7.312 1.00 73.22 H new ATOM 0 HA LEU A 21 -5.001 -5.534 5.592 1.00 25.34 H new ATOM 0 HB2 LEU A 21 -4.247 -4.008 3.827 1.00 63.30 H new ATOM 0 HB3 LEU A 21 -5.015 -3.171 5.161 1.00 63.30 H new ATOM 0 HG LEU A 21 -2.638 -2.639 5.983 1.00 13.20 H new ATOM 0 HD11 LEU A 21 -0.884 -2.455 4.249 1.00 63.03 H new ATOM 0 HD12 LEU A 21 -1.343 -4.139 4.597 1.00 63.03 H new ATOM 0 HD13 LEU A 21 -1.936 -3.342 3.121 1.00 63.03 H new ATOM 0 HD21 LEU A 21 -2.449 -0.627 4.498 1.00 22.01 H new ATOM 0 HD22 LEU A 21 -3.655 -1.348 3.406 1.00 22.01 H new ATOM 0 HD23 LEU A 21 -4.112 -0.902 5.067 1.00 22.01 H new ATOM 357 N LEU A 22 -1.842 -6.100 5.982 1.00 43.24 N ATOM 358 CA LEU A 22 -0.794 -7.108 5.706 1.00 11.32 C ATOM 359 C LEU A 22 -1.344 -8.511 5.988 1.00 64.30 C ATOM 360 O LEU A 22 -1.137 -9.445 5.197 1.00 61.32 O ATOM 361 CB LEU A 22 0.473 -6.857 6.566 1.00 73.45 C ATOM 362 CG LEU A 22 1.647 -7.868 6.363 1.00 44.52 C ATOM 363 CD1 LEU A 22 2.187 -7.827 4.915 1.00 24.43 C ATOM 364 CD2 LEU A 22 2.767 -7.623 7.394 1.00 44.44 C ATOM 0 H LEU A 22 -1.633 -5.490 6.772 1.00 43.24 H new ATOM 0 HA LEU A 22 -0.510 -7.026 4.657 1.00 11.32 H new ATOM 0 HB2 LEU A 22 0.842 -5.854 6.351 1.00 73.45 H new ATOM 0 HB3 LEU A 22 0.184 -6.872 7.617 1.00 73.45 H new ATOM 0 HG LEU A 22 1.256 -8.872 6.529 1.00 44.52 H new ATOM 0 HD11 LEU A 22 3.002 -8.543 4.810 1.00 24.43 H new ATOM 0 HD12 LEU A 22 1.387 -8.084 4.221 1.00 24.43 H new ATOM 0 HD13 LEU A 22 2.553 -6.825 4.691 1.00 24.43 H new ATOM 0 HD21 LEU A 22 3.573 -8.339 7.233 1.00 44.44 H new ATOM 0 HD22 LEU A 22 3.153 -6.610 7.278 1.00 44.44 H new ATOM 0 HD23 LEU A 22 2.368 -7.747 8.401 1.00 44.44 H new ATOM 376 N GLU A 23 -2.054 -8.621 7.131 1.00 71.35 N ATOM 377 CA GLU A 23 -2.784 -9.837 7.520 1.00 52.43 C ATOM 378 C GLU A 23 -3.824 -10.187 6.446 1.00 31.42 C ATOM 379 O GLU A 23 -3.869 -11.308 5.967 1.00 53.04 O ATOM 380 CB GLU A 23 -3.469 -9.634 8.896 1.00 33.42 C ATOM 381 CG GLU A 23 -2.501 -9.310 10.049 1.00 24.41 C ATOM 382 CD GLU A 23 -3.231 -8.951 11.349 1.00 22.22 C ATOM 383 OE1 GLU A 23 -3.411 -9.834 12.220 1.00 40.23 O ATOM 384 OE2 GLU A 23 -3.653 -7.788 11.498 1.00 34.53 O ATOM 0 H GLU A 23 -2.135 -7.864 7.809 1.00 71.35 H new ATOM 0 HA GLU A 23 -2.079 -10.664 7.607 1.00 52.43 H new ATOM 0 HB2 GLU A 23 -4.196 -8.826 8.810 1.00 33.42 H new ATOM 0 HB3 GLU A 23 -4.025 -10.537 9.148 1.00 33.42 H new ATOM 0 HG2 GLU A 23 -1.853 -10.168 10.226 1.00 24.41 H new ATOM 0 HG3 GLU A 23 -1.858 -8.480 9.756 1.00 24.41 H new ATOM 391 N LEU A 24 -4.601 -9.176 6.031 1.00 45.25 N ATOM 392 CA LEU A 24 -5.680 -9.327 5.031 1.00 0.11 C ATOM 393 C LEU A 24 -5.123 -9.714 3.637 1.00 65.22 C ATOM 394 O LEU A 24 -5.752 -10.481 2.910 1.00 64.02 O ATOM 395 CB LEU A 24 -6.506 -8.012 4.979 1.00 34.20 C ATOM 396 CG LEU A 24 -7.148 -7.588 6.346 1.00 23.24 C ATOM 397 CD1 LEU A 24 -7.734 -6.163 6.289 1.00 12.13 C ATOM 398 CD2 LEU A 24 -8.201 -8.619 6.812 1.00 73.22 C ATOM 0 H LEU A 24 -4.502 -8.222 6.379 1.00 45.25 H new ATOM 0 HA LEU A 24 -6.333 -10.146 5.332 1.00 0.11 H new ATOM 0 HB2 LEU A 24 -5.860 -7.206 4.631 1.00 34.20 H new ATOM 0 HB3 LEU A 24 -7.299 -8.126 4.240 1.00 34.20 H new ATOM 0 HG LEU A 24 -6.350 -7.572 7.089 1.00 23.24 H new ATOM 0 HD11 LEU A 24 -8.169 -5.909 7.256 1.00 12.13 H new ATOM 0 HD12 LEU A 24 -6.942 -5.453 6.050 1.00 12.13 H new ATOM 0 HD13 LEU A 24 -8.506 -6.118 5.521 1.00 12.13 H new ATOM 0 HD21 LEU A 24 -8.629 -8.298 7.762 1.00 73.22 H new ATOM 0 HD22 LEU A 24 -8.991 -8.695 6.065 1.00 73.22 H new ATOM 0 HD23 LEU A 24 -7.727 -9.592 6.938 1.00 73.22 H new ATOM 410 N ALA A 25 -3.923 -9.208 3.304 1.00 1.20 N ATOM 411 CA ALA A 25 -3.242 -9.493 2.021 1.00 21.10 C ATOM 412 C ALA A 25 -2.793 -10.964 1.943 1.00 62.53 C ATOM 413 O ALA A 25 -3.058 -11.651 0.950 1.00 73.41 O ATOM 414 CB ALA A 25 -2.038 -8.553 1.825 1.00 24.54 C ATOM 0 H ALA A 25 -3.393 -8.588 3.916 1.00 1.20 H new ATOM 0 HA ALA A 25 -3.957 -9.315 1.218 1.00 21.10 H new ATOM 0 HB1 ALA A 25 -1.551 -8.779 0.876 1.00 24.54 H new ATOM 0 HB2 ALA A 25 -2.381 -7.518 1.820 1.00 24.54 H new ATOM 0 HB3 ALA A 25 -1.328 -8.696 2.640 1.00 24.54 H new ATOM 420 N GLN A 26 -2.125 -11.441 3.014 1.00 14.04 N ATOM 421 CA GLN A 26 -1.640 -12.838 3.092 1.00 55.22 C ATOM 422 C GLN A 26 -2.813 -13.826 3.275 1.00 4.13 C ATOM 423 O GLN A 26 -2.723 -14.980 2.849 1.00 0.33 O ATOM 424 CB GLN A 26 -0.585 -12.996 4.223 1.00 0.05 C ATOM 425 CG GLN A 26 -1.091 -12.691 5.646 1.00 60.14 C ATOM 426 CD GLN A 26 -0.042 -12.820 6.756 1.00 75.03 C ATOM 427 OE1 GLN A 26 -0.367 -13.161 7.894 1.00 43.40 O ATOM 428 NE2 GLN A 26 1.216 -12.516 6.459 1.00 24.54 N ATOM 0 H GLN A 26 -1.908 -10.880 3.838 1.00 14.04 H new ATOM 0 HA GLN A 26 -1.153 -13.079 2.147 1.00 55.22 H new ATOM 0 HB2 GLN A 26 -0.205 -14.017 4.202 1.00 0.05 H new ATOM 0 HB3 GLN A 26 0.257 -12.338 4.006 1.00 0.05 H new ATOM 0 HG2 GLN A 26 -1.490 -11.677 5.662 1.00 60.14 H new ATOM 0 HG3 GLN A 26 -1.919 -13.363 5.871 1.00 60.14 H new ATOM 0 HE21 GLN A 26 1.463 -12.236 5.510 1.00 24.54 H new ATOM 0 HE22 GLN A 26 1.936 -12.562 7.180 1.00 24.54 H new ATOM 437 N ARG A 27 -3.917 -13.351 3.893 1.00 54.44 N ATOM 438 CA ARG A 27 -5.165 -14.135 4.054 1.00 1.31 C ATOM 439 C ARG A 27 -5.954 -14.215 2.730 1.00 60.04 C ATOM 440 O ARG A 27 -6.825 -15.077 2.580 1.00 4.11 O ATOM 441 CB ARG A 27 -6.071 -13.527 5.168 1.00 25.22 C ATOM 442 CG ARG A 27 -5.601 -13.759 6.624 1.00 4.22 C ATOM 443 CD ARG A 27 -5.511 -15.244 6.996 1.00 64.53 C ATOM 444 NE ARG A 27 -6.783 -15.960 6.771 1.00 51.53 N ATOM 445 CZ ARG A 27 -7.149 -17.111 7.356 1.00 14.31 C ATOM 446 NH1 ARG A 27 -6.355 -17.717 8.241 1.00 31.55 N ATOM 447 NH2 ARG A 27 -8.303 -17.674 7.018 1.00 65.20 N ATOM 0 H ARG A 27 -3.970 -12.415 4.294 1.00 54.44 H new ATOM 0 HA ARG A 27 -4.874 -15.144 4.347 1.00 1.31 H new ATOM 0 HB2 ARG A 27 -6.150 -12.453 4.999 1.00 25.22 H new ATOM 0 HB3 ARG A 27 -7.073 -13.941 5.060 1.00 25.22 H new ATOM 0 HG2 ARG A 27 -4.624 -13.296 6.763 1.00 4.22 H new ATOM 0 HG3 ARG A 27 -6.290 -13.261 7.306 1.00 4.22 H new ATOM 0 HD2 ARG A 27 -4.723 -15.716 6.409 1.00 64.53 H new ATOM 0 HD3 ARG A 27 -5.226 -15.336 8.044 1.00 64.53 H new ATOM 0 HE ARG A 27 -7.441 -15.543 6.113 1.00 51.53 H new ATOM 0 HH11 ARG A 27 -5.453 -17.306 8.483 1.00 31.55 H new ATOM 0 HH12 ARG A 27 -6.650 -18.591 8.676 1.00 31.55 H new ATOM 0 HH21 ARG A 27 -8.901 -17.232 6.320 1.00 65.20 H new ATOM 0 HH22 ARG A 27 -8.591 -18.549 7.456 1.00 65.20 H new ATOM 461 N GLY A 28 -5.655 -13.299 1.791 1.00 63.32 N ATOM 462 CA GLY A 28 -6.317 -13.260 0.482 1.00 42.44 C ATOM 463 C GLY A 28 -7.576 -12.401 0.469 1.00 42.21 C ATOM 464 O GLY A 28 -8.303 -12.377 -0.531 1.00 71.21 O ATOM 0 H GLY A 28 -4.952 -12.571 1.920 1.00 63.32 H new ATOM 0 HA2 GLY A 28 -5.617 -12.877 -0.260 1.00 42.44 H new ATOM 0 HA3 GLY A 28 -6.575 -14.276 0.183 1.00 42.44 H new ATOM 468 N GLU A 29 -7.852 -11.713 1.592 1.00 51.52 N ATOM 469 CA GLU A 29 -8.933 -10.721 1.679 1.00 54.33 C ATOM 470 C GLU A 29 -8.512 -9.425 0.970 1.00 12.12 C ATOM 471 O GLU A 29 -8.007 -8.485 1.601 1.00 41.03 O ATOM 472 CB GLU A 29 -9.359 -10.448 3.158 1.00 21.05 C ATOM 473 CG GLU A 29 -10.348 -11.471 3.759 1.00 72.30 C ATOM 474 CD GLU A 29 -9.763 -12.876 3.973 1.00 14.10 C ATOM 475 OE1 GLU A 29 -9.776 -13.699 3.034 1.00 55.31 O ATOM 476 OE2 GLU A 29 -9.306 -13.175 5.093 1.00 25.45 O ATOM 0 H GLU A 29 -7.332 -11.831 2.461 1.00 51.52 H new ATOM 0 HA GLU A 29 -9.808 -11.129 1.174 1.00 54.33 H new ATOM 0 HB2 GLU A 29 -8.463 -10.425 3.779 1.00 21.05 H new ATOM 0 HB3 GLU A 29 -9.809 -9.457 3.212 1.00 21.05 H new ATOM 0 HG2 GLU A 29 -10.707 -11.091 4.716 1.00 72.30 H new ATOM 0 HG3 GLU A 29 -11.214 -11.549 3.102 1.00 72.30 H new ATOM 483 N TRP A 30 -8.703 -9.413 -0.359 1.00 22.53 N ATOM 484 CA TRP A 30 -8.331 -8.279 -1.216 1.00 32.12 C ATOM 485 C TRP A 30 -9.312 -7.113 -1.046 1.00 3.11 C ATOM 486 O TRP A 30 -8.909 -5.957 -1.105 1.00 2.44 O ATOM 487 CB TRP A 30 -8.252 -8.710 -2.700 1.00 13.23 C ATOM 488 CG TRP A 30 -7.349 -9.911 -2.954 1.00 33.12 C ATOM 489 CD1 TRP A 30 -7.689 -11.091 -3.567 1.00 11.40 C ATOM 490 CD2 TRP A 30 -5.962 -10.050 -2.586 1.00 63.52 C ATOM 491 NE1 TRP A 30 -6.606 -11.933 -3.605 1.00 2.44 N ATOM 492 CE2 TRP A 30 -5.540 -11.317 -3.016 1.00 20.35 C ATOM 493 CE3 TRP A 30 -5.043 -9.226 -1.938 1.00 54.13 C ATOM 494 CZ2 TRP A 30 -4.242 -11.779 -2.810 1.00 5.21 C ATOM 495 CZ3 TRP A 30 -3.752 -9.675 -1.749 1.00 13.22 C ATOM 496 CH2 TRP A 30 -3.363 -10.944 -2.179 1.00 50.22 C ATOM 0 H TRP A 30 -9.121 -10.191 -0.869 1.00 22.53 H new ATOM 0 HA TRP A 30 -7.343 -7.939 -0.905 1.00 32.12 H new ATOM 0 HB2 TRP A 30 -9.256 -8.944 -3.053 1.00 13.23 H new ATOM 0 HB3 TRP A 30 -7.894 -7.868 -3.293 1.00 13.23 H new ATOM 0 HD1 TRP A 30 -8.667 -11.323 -3.962 1.00 11.40 H new ATOM 0 HE1 TRP A 30 -6.599 -12.870 -4.009 1.00 2.44 H new ATOM 0 HE3 TRP A 30 -5.338 -8.248 -1.588 1.00 54.13 H new ATOM 0 HZ2 TRP A 30 -3.941 -12.763 -3.138 1.00 5.21 H new ATOM 0 HZ3 TRP A 30 -3.032 -9.035 -1.261 1.00 13.22 H new ATOM 0 HH2 TRP A 30 -2.348 -11.273 -2.010 1.00 50.22 H new ATOM 507 N ASP A 31 -10.598 -7.435 -0.819 1.00 34.11 N ATOM 508 CA ASP A 31 -11.658 -6.430 -0.589 1.00 0.10 C ATOM 509 C ASP A 31 -11.356 -5.614 0.683 1.00 34.52 C ATOM 510 O ASP A 31 -11.460 -4.380 0.693 1.00 21.45 O ATOM 511 CB ASP A 31 -13.040 -7.126 -0.463 1.00 72.02 C ATOM 512 CG ASP A 31 -13.475 -7.850 -1.754 1.00 1.31 C ATOM 513 OD1 ASP A 31 -13.121 -9.039 -1.943 1.00 44.54 O ATOM 514 OD2 ASP A 31 -14.172 -7.236 -2.590 1.00 45.44 O ATOM 0 H ASP A 31 -10.934 -8.398 -0.789 1.00 34.11 H new ATOM 0 HA ASP A 31 -11.684 -5.751 -1.441 1.00 0.10 H new ATOM 0 HB2 ASP A 31 -13.004 -7.845 0.355 1.00 72.02 H new ATOM 0 HB3 ASP A 31 -13.792 -6.382 -0.200 1.00 72.02 H new ATOM 519 N LEU A 32 -10.946 -6.334 1.747 1.00 41.51 N ATOM 520 CA LEU A 32 -10.602 -5.731 3.043 1.00 41.52 C ATOM 521 C LEU A 32 -9.240 -5.007 2.973 1.00 74.12 C ATOM 522 O LEU A 32 -9.062 -3.972 3.613 1.00 70.15 O ATOM 523 CB LEU A 32 -10.618 -6.803 4.161 1.00 42.34 C ATOM 524 CG LEU A 32 -11.993 -7.494 4.439 1.00 41.54 C ATOM 525 CD1 LEU A 32 -11.874 -8.503 5.601 1.00 4.05 C ATOM 526 CD2 LEU A 32 -13.107 -6.455 4.722 1.00 12.03 C ATOM 0 H LEU A 32 -10.845 -7.349 1.728 1.00 41.51 H new ATOM 0 HA LEU A 32 -11.356 -4.982 3.285 1.00 41.52 H new ATOM 0 HB2 LEU A 32 -9.893 -7.575 3.905 1.00 42.34 H new ATOM 0 HB3 LEU A 32 -10.276 -6.338 5.086 1.00 42.34 H new ATOM 0 HG LEU A 32 -12.275 -8.039 3.538 1.00 41.54 H new ATOM 0 HD11 LEU A 32 -12.842 -8.971 5.777 1.00 4.05 H new ATOM 0 HD12 LEU A 32 -11.142 -9.269 5.345 1.00 4.05 H new ATOM 0 HD13 LEU A 32 -11.554 -7.982 6.504 1.00 4.05 H new ATOM 0 HD21 LEU A 32 -14.048 -6.972 4.911 1.00 12.03 H new ATOM 0 HD22 LEU A 32 -12.838 -5.862 5.596 1.00 12.03 H new ATOM 0 HD23 LEU A 32 -13.220 -5.799 3.859 1.00 12.03 H new ATOM 538 N LEU A 33 -8.296 -5.563 2.178 1.00 30.20 N ATOM 539 CA LEU A 33 -6.986 -4.924 1.883 1.00 61.01 C ATOM 540 C LEU A 33 -7.194 -3.520 1.275 1.00 20.35 C ATOM 541 O LEU A 33 -6.581 -2.541 1.712 1.00 51.44 O ATOM 542 CB LEU A 33 -6.160 -5.805 0.895 1.00 3.15 C ATOM 543 CG LEU A 33 -4.800 -5.202 0.387 1.00 60.42 C ATOM 544 CD1 LEU A 33 -3.770 -5.090 1.520 1.00 12.20 C ATOM 545 CD2 LEU A 33 -4.228 -6.007 -0.791 1.00 64.03 C ATOM 0 H LEU A 33 -8.418 -6.467 1.722 1.00 30.20 H new ATOM 0 HA LEU A 33 -6.436 -4.828 2.819 1.00 61.01 H new ATOM 0 HB2 LEU A 33 -5.950 -6.758 1.381 1.00 3.15 H new ATOM 0 HB3 LEU A 33 -6.783 -6.020 0.027 1.00 3.15 H new ATOM 0 HG LEU A 33 -5.015 -4.194 0.031 1.00 60.42 H new ATOM 0 HD11 LEU A 33 -2.844 -4.669 1.129 1.00 12.20 H new ATOM 0 HD12 LEU A 33 -4.161 -4.442 2.304 1.00 12.20 H new ATOM 0 HD13 LEU A 33 -3.573 -6.080 1.932 1.00 12.20 H new ATOM 0 HD21 LEU A 33 -3.288 -5.560 -1.115 1.00 64.03 H new ATOM 0 HD22 LEU A 33 -4.052 -7.036 -0.477 1.00 64.03 H new ATOM 0 HD23 LEU A 33 -4.938 -5.997 -1.618 1.00 64.03 H new ATOM 557 N LEU A 34 -8.099 -3.456 0.284 1.00 14.32 N ATOM 558 CA LEU A 34 -8.417 -2.227 -0.467 1.00 54.32 C ATOM 559 C LEU A 34 -9.284 -1.261 0.358 1.00 4.23 C ATOM 560 O LEU A 34 -9.282 -0.048 0.110 1.00 43.42 O ATOM 561 CB LEU A 34 -9.111 -2.606 -1.795 1.00 65.22 C ATOM 562 CG LEU A 34 -8.229 -3.423 -2.793 1.00 3.42 C ATOM 563 CD1 LEU A 34 -9.067 -3.971 -3.963 1.00 31.32 C ATOM 564 CD2 LEU A 34 -7.030 -2.584 -3.291 1.00 4.24 C ATOM 0 H LEU A 34 -8.638 -4.266 -0.023 1.00 14.32 H new ATOM 0 HA LEU A 34 -7.487 -1.702 -0.684 1.00 54.32 H new ATOM 0 HB2 LEU A 34 -10.006 -3.185 -1.567 1.00 65.22 H new ATOM 0 HB3 LEU A 34 -9.440 -1.692 -2.289 1.00 65.22 H new ATOM 0 HG LEU A 34 -7.826 -4.282 -2.257 1.00 3.42 H new ATOM 0 HD11 LEU A 34 -8.424 -4.534 -4.639 1.00 31.32 H new ATOM 0 HD12 LEU A 34 -9.848 -4.625 -3.576 1.00 31.32 H new ATOM 0 HD13 LEU A 34 -9.523 -3.142 -4.504 1.00 31.32 H new ATOM 0 HD21 LEU A 34 -6.433 -3.177 -3.984 1.00 4.24 H new ATOM 0 HD22 LEU A 34 -7.396 -1.692 -3.799 1.00 4.24 H new ATOM 0 HD23 LEU A 34 -6.414 -2.290 -2.441 1.00 4.24 H new ATOM 576 N GLN A 35 -10.030 -1.802 1.335 1.00 24.13 N ATOM 577 CA GLN A 35 -10.776 -0.987 2.308 1.00 0.13 C ATOM 578 C GLN A 35 -9.793 -0.194 3.195 1.00 50.34 C ATOM 579 O GLN A 35 -10.042 0.974 3.532 1.00 15.23 O ATOM 580 CB GLN A 35 -11.703 -1.884 3.176 1.00 72.53 C ATOM 581 CG GLN A 35 -12.536 -1.130 4.237 1.00 52.10 C ATOM 582 CD GLN A 35 -13.468 -0.040 3.680 1.00 5.53 C ATOM 583 OE1 GLN A 35 -13.712 0.970 4.339 1.00 61.11 O ATOM 584 NE2 GLN A 35 -14.027 -0.243 2.488 1.00 30.44 N ATOM 0 H GLN A 35 -10.133 -2.807 1.472 1.00 24.13 H new ATOM 0 HA GLN A 35 -11.404 -0.280 1.766 1.00 0.13 H new ATOM 0 HB2 GLN A 35 -12.384 -2.422 2.516 1.00 72.53 H new ATOM 0 HB3 GLN A 35 -11.091 -2.632 3.681 1.00 72.53 H new ATOM 0 HG2 GLN A 35 -13.137 -1.854 4.787 1.00 52.10 H new ATOM 0 HG3 GLN A 35 -11.854 -0.672 4.954 1.00 52.10 H new ATOM 0 HE21 GLN A 35 -13.809 -1.088 1.960 1.00 30.44 H new ATOM 0 HE22 GLN A 35 -14.673 0.447 2.103 1.00 30.44 H new ATOM 593 N GLN A 36 -8.663 -0.837 3.552 1.00 5.42 N ATOM 594 CA GLN A 36 -7.617 -0.205 4.375 1.00 43.45 C ATOM 595 C GLN A 36 -6.682 0.664 3.507 1.00 22.13 C ATOM 596 O GLN A 36 -6.136 1.637 4.008 1.00 50.53 O ATOM 597 CB GLN A 36 -6.791 -1.260 5.153 1.00 62.22 C ATOM 598 CG GLN A 36 -7.596 -2.324 5.924 1.00 4.13 C ATOM 599 CD GLN A 36 -8.571 -1.778 6.966 1.00 50.22 C ATOM 600 OE1 GLN A 36 -8.351 -0.730 7.573 1.00 70.43 O ATOM 601 NE2 GLN A 36 -9.658 -2.496 7.185 1.00 61.53 N ATOM 0 H GLN A 36 -8.453 -1.798 3.281 1.00 5.42 H new ATOM 0 HA GLN A 36 -8.119 0.436 5.100 1.00 43.45 H new ATOM 0 HB2 GLN A 36 -6.137 -1.771 4.447 1.00 62.22 H new ATOM 0 HB3 GLN A 36 -6.149 -0.737 5.861 1.00 62.22 H new ATOM 0 HG2 GLN A 36 -8.156 -2.923 5.206 1.00 4.13 H new ATOM 0 HG3 GLN A 36 -6.896 -2.995 6.422 1.00 4.13 H new ATOM 0 HE21 GLN A 36 -9.812 -3.360 6.666 1.00 61.53 H new ATOM 0 HE22 GLN A 36 -10.344 -2.186 7.874 1.00 61.53 H new ATOM 610 N GLU A 37 -6.519 0.281 2.207 1.00 24.20 N ATOM 611 CA GLU A 37 -5.669 0.988 1.198 1.00 0.12 C ATOM 612 C GLU A 37 -5.859 2.508 1.257 1.00 24.15 C ATOM 613 O GLU A 37 -4.919 3.258 1.541 1.00 2.40 O ATOM 614 CB GLU A 37 -6.050 0.501 -0.238 1.00 53.23 C ATOM 615 CG GLU A 37 -5.448 1.324 -1.414 1.00 71.02 C ATOM 616 CD GLU A 37 -6.073 1.019 -2.789 1.00 10.31 C ATOM 617 OE1 GLU A 37 -7.316 0.881 -2.865 1.00 3.23 O ATOM 618 OE2 GLU A 37 -5.352 1.013 -3.811 1.00 54.11 O ATOM 0 H GLU A 37 -6.982 -0.542 1.823 1.00 24.20 H new ATOM 0 HA GLU A 37 -4.629 0.757 1.427 1.00 0.12 H new ATOM 0 HB2 GLU A 37 -5.733 -0.536 -0.346 1.00 53.23 H new ATOM 0 HB3 GLU A 37 -7.136 0.513 -0.329 1.00 53.23 H new ATOM 0 HG2 GLU A 37 -5.572 2.385 -1.199 1.00 71.02 H new ATOM 0 HG3 GLU A 37 -4.376 1.132 -1.465 1.00 71.02 H new ATOM 625 N VAL A 38 -7.108 2.922 1.000 1.00 52.04 N ATOM 626 CA VAL A 38 -7.488 4.329 0.867 1.00 3.22 C ATOM 627 C VAL A 38 -7.171 5.131 2.142 1.00 34.11 C ATOM 628 O VAL A 38 -6.566 6.197 2.059 1.00 31.43 O ATOM 629 CB VAL A 38 -9.003 4.472 0.454 1.00 52.22 C ATOM 630 CG1 VAL A 38 -9.203 4.027 -1.011 1.00 23.13 C ATOM 631 CG2 VAL A 38 -9.943 3.671 1.389 1.00 40.10 C ATOM 0 H VAL A 38 -7.890 2.278 0.878 1.00 52.04 H new ATOM 0 HA VAL A 38 -6.884 4.755 0.066 1.00 3.22 H new ATOM 0 HB VAL A 38 -9.267 5.525 0.552 1.00 52.22 H new ATOM 0 HG11 VAL A 38 -10.253 4.131 -1.283 1.00 23.13 H new ATOM 0 HG12 VAL A 38 -8.595 4.650 -1.667 1.00 23.13 H new ATOM 0 HG13 VAL A 38 -8.902 2.985 -1.119 1.00 23.13 H new ATOM 0 HG21 VAL A 38 -10.976 3.801 1.065 1.00 40.10 H new ATOM 0 HG22 VAL A 38 -9.680 2.614 1.350 1.00 40.10 H new ATOM 0 HG23 VAL A 38 -9.835 4.034 2.411 1.00 40.10 H new ATOM 641 N SER A 39 -7.518 4.561 3.308 1.00 11.12 N ATOM 642 CA SER A 39 -7.312 5.200 4.622 1.00 22.14 C ATOM 643 C SER A 39 -5.812 5.312 4.975 1.00 55.21 C ATOM 644 O SER A 39 -5.345 6.349 5.458 1.00 62.51 O ATOM 645 CB SER A 39 -8.053 4.377 5.697 1.00 24.41 C ATOM 646 OG SER A 39 -9.415 4.208 5.340 1.00 21.03 O ATOM 0 H SER A 39 -7.951 3.640 3.368 1.00 11.12 H new ATOM 0 HA SER A 39 -7.710 6.214 4.583 1.00 22.14 H new ATOM 0 HB2 SER A 39 -7.577 3.403 5.810 1.00 24.41 H new ATOM 0 HB3 SER A 39 -7.983 4.880 6.661 1.00 24.41 H new ATOM 0 HG SER A 39 -9.871 3.683 6.030 1.00 21.03 H new ATOM 652 N TYR A 40 -5.081 4.228 4.686 1.00 33.51 N ATOM 653 CA TYR A 40 -3.662 4.054 5.033 1.00 2.54 C ATOM 654 C TYR A 40 -2.774 5.028 4.248 1.00 42.11 C ATOM 655 O TYR A 40 -2.029 5.833 4.839 1.00 42.01 O ATOM 656 CB TYR A 40 -3.265 2.577 4.751 1.00 4.23 C ATOM 657 CG TYR A 40 -1.769 2.270 4.810 1.00 64.25 C ATOM 658 CD1 TYR A 40 -1.031 2.499 5.968 1.00 55.23 C ATOM 659 CD2 TYR A 40 -1.096 1.732 3.705 1.00 21.33 C ATOM 660 CE1 TYR A 40 0.312 2.212 6.018 1.00 62.31 C ATOM 661 CE2 TYR A 40 0.249 1.444 3.759 1.00 31.15 C ATOM 662 CZ TYR A 40 0.947 1.682 4.918 1.00 24.44 C ATOM 663 OH TYR A 40 2.287 1.391 4.984 1.00 70.23 O ATOM 0 H TYR A 40 -5.469 3.425 4.191 1.00 33.51 H new ATOM 0 HA TYR A 40 -3.514 4.278 6.089 1.00 2.54 H new ATOM 0 HB2 TYR A 40 -3.777 1.939 5.471 1.00 4.23 H new ATOM 0 HB3 TYR A 40 -3.635 2.303 3.763 1.00 4.23 H new ATOM 0 HD1 TYR A 40 -1.521 2.908 6.839 1.00 55.23 H new ATOM 0 HD2 TYR A 40 -1.643 1.540 2.794 1.00 21.33 H new ATOM 0 HE1 TYR A 40 0.870 2.403 6.923 1.00 62.31 H new ATOM 0 HE2 TYR A 40 0.752 1.034 2.896 1.00 31.15 H new ATOM 0 HH TYR A 40 2.603 1.514 5.903 1.00 70.23 H new ATOM 673 N LEU A 41 -2.874 4.939 2.911 1.00 71.25 N ATOM 674 CA LEU A 41 -2.116 5.788 1.992 1.00 71.23 C ATOM 675 C LEU A 41 -2.473 7.271 2.210 1.00 42.15 C ATOM 676 O LEU A 41 -1.584 8.115 2.210 1.00 22.20 O ATOM 677 CB LEU A 41 -2.369 5.338 0.526 1.00 41.24 C ATOM 678 CG LEU A 41 -1.900 3.881 0.175 1.00 64.40 C ATOM 679 CD1 LEU A 41 -2.343 3.470 -1.247 1.00 13.22 C ATOM 680 CD2 LEU A 41 -0.366 3.728 0.347 1.00 31.11 C ATOM 0 H LEU A 41 -3.486 4.272 2.441 1.00 71.25 H new ATOM 0 HA LEU A 41 -1.050 5.680 2.195 1.00 71.23 H new ATOM 0 HB2 LEU A 41 -3.436 5.417 0.319 1.00 41.24 H new ATOM 0 HB3 LEU A 41 -1.863 6.035 -0.142 1.00 41.24 H new ATOM 0 HG LEU A 41 -2.385 3.204 0.879 1.00 64.40 H new ATOM 0 HD11 LEU A 41 -2.001 2.456 -1.456 1.00 13.22 H new ATOM 0 HD12 LEU A 41 -3.430 3.508 -1.314 1.00 13.22 H new ATOM 0 HD13 LEU A 41 -1.910 4.156 -1.975 1.00 13.22 H new ATOM 0 HD21 LEU A 41 -0.072 2.709 0.097 1.00 31.11 H new ATOM 0 HD22 LEU A 41 0.146 4.426 -0.315 1.00 31.11 H new ATOM 0 HD23 LEU A 41 -0.093 3.941 1.380 1.00 31.11 H new ATOM 692 N GLN A 42 -3.780 7.556 2.457 1.00 71.21 N ATOM 693 CA GLN A 42 -4.274 8.922 2.788 1.00 74.03 C ATOM 694 C GLN A 42 -3.535 9.504 4.002 1.00 61.24 C ATOM 695 O GLN A 42 -3.123 10.664 3.984 1.00 35.43 O ATOM 696 CB GLN A 42 -5.790 8.886 3.103 1.00 10.23 C ATOM 697 CG GLN A 42 -6.432 10.246 3.465 1.00 41.24 C ATOM 698 CD GLN A 42 -7.836 10.140 4.084 1.00 2.23 C ATOM 699 OE1 GLN A 42 -8.227 10.976 4.898 1.00 30.50 O ATOM 700 NE2 GLN A 42 -8.611 9.132 3.704 1.00 71.53 N ATOM 0 H GLN A 42 -4.517 6.851 2.433 1.00 71.21 H new ATOM 0 HA GLN A 42 -4.087 9.554 1.920 1.00 74.03 H new ATOM 0 HB2 GLN A 42 -6.313 8.477 2.238 1.00 10.23 H new ATOM 0 HB3 GLN A 42 -5.954 8.196 3.930 1.00 10.23 H new ATOM 0 HG2 GLN A 42 -5.778 10.768 4.164 1.00 41.24 H new ATOM 0 HG3 GLN A 42 -6.490 10.858 2.565 1.00 41.24 H new ATOM 0 HE21 GLN A 42 -8.266 8.450 3.028 1.00 71.53 H new ATOM 0 HE22 GLN A 42 -9.551 9.039 4.088 1.00 71.53 H new ATOM 709 N SER A 43 -3.380 8.670 5.051 1.00 0.55 N ATOM 710 CA SER A 43 -2.722 9.068 6.305 1.00 73.23 C ATOM 711 C SER A 43 -1.240 9.433 6.066 1.00 11.42 C ATOM 712 O SER A 43 -0.745 10.424 6.621 1.00 1.52 O ATOM 713 CB SER A 43 -2.866 7.949 7.355 1.00 3.22 C ATOM 714 OG SER A 43 -4.227 7.714 7.678 1.00 62.45 O ATOM 0 H SER A 43 -3.708 7.704 5.049 1.00 0.55 H new ATOM 0 HA SER A 43 -3.214 9.962 6.688 1.00 73.23 H new ATOM 0 HB2 SER A 43 -2.417 7.031 6.975 1.00 3.22 H new ATOM 0 HB3 SER A 43 -2.318 8.222 8.257 1.00 3.22 H new ATOM 0 HG SER A 43 -4.662 7.243 6.937 1.00 62.45 H new ATOM 720 N ILE A 44 -0.557 8.642 5.210 1.00 54.53 N ATOM 721 CA ILE A 44 0.844 8.909 4.803 1.00 3.11 C ATOM 722 C ILE A 44 0.936 10.259 4.038 1.00 24.25 C ATOM 723 O ILE A 44 1.792 11.109 4.320 1.00 51.40 O ATOM 724 CB ILE A 44 1.413 7.751 3.898 1.00 75.21 C ATOM 725 CG1 ILE A 44 1.287 6.365 4.611 1.00 51.50 C ATOM 726 CG2 ILE A 44 2.883 8.034 3.499 1.00 32.34 C ATOM 727 CD1 ILE A 44 1.690 5.170 3.756 1.00 74.52 C ATOM 0 H ILE A 44 -0.956 7.806 4.783 1.00 54.53 H new ATOM 0 HA ILE A 44 1.445 8.962 5.711 1.00 3.11 H new ATOM 0 HB ILE A 44 0.815 7.714 2.987 1.00 75.21 H new ATOM 0 HG12 ILE A 44 1.904 6.376 5.509 1.00 51.50 H new ATOM 0 HG13 ILE A 44 0.255 6.231 4.935 1.00 51.50 H new ATOM 0 HG21 ILE A 44 3.254 7.221 2.875 1.00 32.34 H new ATOM 0 HG22 ILE A 44 2.935 8.971 2.944 1.00 32.34 H new ATOM 0 HG23 ILE A 44 3.496 8.110 4.397 1.00 32.34 H new ATOM 0 HD11 ILE A 44 1.570 4.253 4.333 1.00 74.52 H new ATOM 0 HD12 ILE A 44 1.057 5.127 2.870 1.00 74.52 H new ATOM 0 HD13 ILE A 44 2.732 5.274 3.453 1.00 74.52 H new ATOM 739 N GLU A 45 0.003 10.439 3.094 1.00 21.54 N ATOM 740 CA GLU A 45 -0.073 11.628 2.228 1.00 23.43 C ATOM 741 C GLU A 45 -0.333 12.905 3.047 1.00 5.11 C ATOM 742 O GLU A 45 0.266 13.944 2.772 1.00 4.21 O ATOM 743 CB GLU A 45 -1.187 11.435 1.160 1.00 5.43 C ATOM 744 CG GLU A 45 -0.901 10.325 0.122 1.00 52.54 C ATOM 745 CD GLU A 45 -2.134 9.977 -0.727 1.00 71.23 C ATOM 746 OE1 GLU A 45 -2.601 10.844 -1.489 1.00 42.22 O ATOM 747 OE2 GLU A 45 -2.652 8.842 -0.640 1.00 55.11 O ATOM 0 H GLU A 45 -0.731 9.756 2.906 1.00 21.54 H new ATOM 0 HA GLU A 45 0.889 11.745 1.728 1.00 23.43 H new ATOM 0 HB2 GLU A 45 -2.123 11.206 1.669 1.00 5.43 H new ATOM 0 HB3 GLU A 45 -1.333 12.378 0.633 1.00 5.43 H new ATOM 0 HG2 GLU A 45 -0.092 10.646 -0.534 1.00 52.54 H new ATOM 0 HG3 GLU A 45 -0.556 9.430 0.639 1.00 52.54 H new ATOM 754 N THR A 46 -1.203 12.805 4.075 1.00 34.04 N ATOM 755 CA THR A 46 -1.665 13.976 4.841 1.00 14.21 C ATOM 756 C THR A 46 -0.672 14.367 5.959 1.00 43.14 C ATOM 757 O THR A 46 -0.655 15.531 6.372 1.00 34.04 O ATOM 758 CB THR A 46 -3.116 13.775 5.410 1.00 0.53 C ATOM 759 OG1 THR A 46 -3.653 15.036 5.856 1.00 74.21 O ATOM 760 CG2 THR A 46 -3.172 12.770 6.573 1.00 3.54 C ATOM 0 H THR A 46 -1.599 11.920 4.392 1.00 34.04 H new ATOM 0 HA THR A 46 -1.706 14.808 4.138 1.00 14.21 H new ATOM 0 HB THR A 46 -3.713 13.369 4.593 1.00 0.53 H new ATOM 0 HG1 THR A 46 -4.558 14.900 6.207 1.00 74.21 H new ATOM 0 HG21 THR A 46 -4.200 12.675 6.922 1.00 3.54 H new ATOM 0 HG22 THR A 46 -2.813 11.799 6.232 1.00 3.54 H new ATOM 0 HG23 THR A 46 -2.543 13.123 7.390 1.00 3.54 H new ATOM 768 N VAL A 47 0.159 13.408 6.457 1.00 62.24 N ATOM 769 CA VAL A 47 1.251 13.745 7.411 1.00 1.10 C ATOM 770 C VAL A 47 2.415 14.431 6.666 1.00 75.32 C ATOM 771 O VAL A 47 3.071 15.326 7.213 1.00 12.34 O ATOM 772 CB VAL A 47 1.790 12.508 8.242 1.00 1.21 C ATOM 773 CG1 VAL A 47 0.700 11.923 9.162 1.00 64.32 C ATOM 774 CG2 VAL A 47 2.378 11.409 7.338 1.00 14.11 C ATOM 0 H VAL A 47 0.095 12.418 6.220 1.00 62.24 H new ATOM 0 HA VAL A 47 0.813 14.428 8.139 1.00 1.10 H new ATOM 0 HB VAL A 47 2.598 12.888 8.867 1.00 1.21 H new ATOM 0 HG11 VAL A 47 1.107 11.077 9.716 1.00 64.32 H new ATOM 0 HG12 VAL A 47 0.366 12.688 9.863 1.00 64.32 H new ATOM 0 HG13 VAL A 47 -0.145 11.590 8.559 1.00 64.32 H new ATOM 0 HG21 VAL A 47 2.734 10.583 7.954 1.00 14.11 H new ATOM 0 HG22 VAL A 47 1.608 11.048 6.656 1.00 14.11 H new ATOM 0 HG23 VAL A 47 3.209 11.817 6.763 1.00 14.11 H new ATOM 784 N MET A 48 2.649 14.008 5.406 1.00 12.41 N ATOM 785 CA MET A 48 3.656 14.632 4.521 1.00 54.31 C ATOM 786 C MET A 48 3.144 15.957 3.926 1.00 75.20 C ATOM 787 O MET A 48 3.942 16.825 3.562 1.00 51.31 O ATOM 788 CB MET A 48 4.066 13.649 3.407 1.00 2.14 C ATOM 789 CG MET A 48 4.813 12.423 3.928 1.00 44.15 C ATOM 790 SD MET A 48 6.326 12.879 4.804 1.00 22.35 S ATOM 791 CE MET A 48 6.895 11.284 5.382 1.00 32.01 C ATOM 0 H MET A 48 2.149 13.230 4.976 1.00 12.41 H new ATOM 0 HA MET A 48 4.535 14.867 5.122 1.00 54.31 H new ATOM 0 HB2 MET A 48 3.173 13.322 2.874 1.00 2.14 H new ATOM 0 HB3 MET A 48 4.696 14.170 2.686 1.00 2.14 H new ATOM 0 HG2 MET A 48 4.163 11.858 4.596 1.00 44.15 H new ATOM 0 HG3 MET A 48 5.060 11.767 3.094 1.00 44.15 H new ATOM 0 HE1 MET A 48 7.137 11.347 6.443 1.00 32.01 H new ATOM 0 HE2 MET A 48 6.111 10.542 5.232 1.00 32.01 H new ATOM 0 HE3 MET A 48 7.784 10.991 4.824 1.00 32.01 H new ATOM 801 N GLU A 49 1.812 16.090 3.815 1.00 12.30 N ATOM 802 CA GLU A 49 1.142 17.361 3.449 1.00 32.33 C ATOM 803 C GLU A 49 1.209 18.344 4.635 1.00 3.32 C ATOM 804 O GLU A 49 1.316 19.563 4.453 1.00 53.15 O ATOM 805 CB GLU A 49 -0.325 17.079 3.043 1.00 72.15 C ATOM 806 CG GLU A 49 -1.201 18.324 2.820 1.00 64.51 C ATOM 807 CD GLU A 49 -2.626 17.971 2.395 1.00 25.20 C ATOM 808 OE1 GLU A 49 -3.337 17.308 3.176 1.00 63.41 O ATOM 809 OE2 GLU A 49 -3.049 18.362 1.285 1.00 20.54 O ATOM 0 H GLU A 49 1.163 15.320 3.976 1.00 12.30 H new ATOM 0 HA GLU A 49 1.652 17.814 2.599 1.00 32.33 H new ATOM 0 HB2 GLU A 49 -0.323 16.489 2.127 1.00 72.15 H new ATOM 0 HB3 GLU A 49 -0.786 16.465 3.817 1.00 72.15 H new ATOM 0 HG2 GLU A 49 -1.234 18.910 3.739 1.00 64.51 H new ATOM 0 HG3 GLU A 49 -0.744 18.954 2.057 1.00 64.51 H new ATOM 816 N LYS A 50 1.204 17.774 5.854 1.00 0.02 N ATOM 817 CA LYS A 50 1.404 18.522 7.115 1.00 3.34 C ATOM 818 C LYS A 50 2.912 18.886 7.278 1.00 31.32 C ATOM 819 O LYS A 50 3.303 19.506 8.269 1.00 32.21 O ATOM 820 CB LYS A 50 0.881 17.668 8.334 1.00 71.43 C ATOM 821 CG LYS A 50 -0.049 18.413 9.324 1.00 44.32 C ATOM 822 CD LYS A 50 0.629 19.626 9.992 1.00 54.31 C ATOM 823 CE LYS A 50 -0.225 20.268 11.085 1.00 44.12 C ATOM 824 NZ LYS A 50 -1.515 20.784 10.572 1.00 41.24 N ATOM 0 H LYS A 50 1.060 16.774 5.996 1.00 0.02 H new ATOM 0 HA LYS A 50 0.833 19.450 7.086 1.00 3.34 H new ATOM 0 HB2 LYS A 50 0.347 16.801 7.945 1.00 71.43 H new ATOM 0 HB3 LYS A 50 1.742 17.291 8.886 1.00 71.43 H new ATOM 0 HG2 LYS A 50 -0.940 18.749 8.794 1.00 44.32 H new ATOM 0 HG3 LYS A 50 -0.380 17.718 10.096 1.00 44.32 H new ATOM 0 HD2 LYS A 50 1.580 19.311 10.421 1.00 54.31 H new ATOM 0 HD3 LYS A 50 0.854 20.373 9.231 1.00 54.31 H new ATOM 0 HE2 LYS A 50 -0.417 19.535 11.868 1.00 44.12 H new ATOM 0 HE3 LYS A 50 0.332 21.085 11.543 1.00 44.12 H new ATOM 0 HZ1 LYS A 50 -1.738 21.687 11.038 1.00 41.24 H new ATOM 0 HZ2 LYS A 50 -1.446 20.932 9.545 1.00 41.24 H new ATOM 0 HZ3 LYS A 50 -2.269 20.096 10.773 1.00 41.24 H new ATOM 838 N GLN A 51 3.741 18.427 6.301 1.00 55.14 N ATOM 839 CA GLN A 51 5.184 18.742 6.172 1.00 51.41 C ATOM 840 C GLN A 51 6.019 18.064 7.276 1.00 23.22 C ATOM 841 O GLN A 51 7.227 18.318 7.371 1.00 50.52 O ATOM 842 CB GLN A 51 5.434 20.288 6.141 1.00 13.11 C ATOM 843 CG GLN A 51 4.671 21.060 5.038 1.00 4.50 C ATOM 844 CD GLN A 51 5.027 20.618 3.619 1.00 13.42 C ATOM 845 OE1 GLN A 51 5.937 21.160 2.990 1.00 22.05 O ATOM 846 NE2 GLN A 51 4.315 19.633 3.106 1.00 73.43 N ATOM 0 H GLN A 51 3.409 17.809 5.561 1.00 55.14 H new ATOM 0 HA GLN A 51 5.515 18.334 5.217 1.00 51.41 H new ATOM 0 HB2 GLN A 51 5.157 20.704 7.110 1.00 13.11 H new ATOM 0 HB3 GLN A 51 6.502 20.464 6.012 1.00 13.11 H new ATOM 0 HG2 GLN A 51 3.600 20.930 5.191 1.00 4.50 H new ATOM 0 HG3 GLN A 51 4.881 22.125 5.141 1.00 4.50 H new ATOM 0 HE21 GLN A 51 3.568 19.205 3.653 1.00 73.43 H new ATOM 0 HE22 GLN A 51 4.512 19.299 2.162 1.00 73.43 H new ATOM 855 N THR A 52 5.364 17.152 8.047 1.00 34.04 N ATOM 856 CA THR A 52 5.902 16.577 9.293 1.00 14.24 C ATOM 857 C THR A 52 6.267 17.716 10.290 1.00 14.51 C ATOM 858 O THR A 52 7.358 18.292 10.188 1.00 24.03 O ATOM 859 CB THR A 52 7.123 15.617 9.037 1.00 3.22 C ATOM 860 OG1 THR A 52 6.728 14.576 8.124 1.00 1.34 O ATOM 861 CG2 THR A 52 7.655 14.976 10.339 1.00 43.01 C ATOM 0 H THR A 52 4.437 16.797 7.810 1.00 34.04 H new ATOM 0 HA THR A 52 5.122 15.958 9.737 1.00 14.24 H new ATOM 0 HB THR A 52 7.928 16.219 8.614 1.00 3.22 H new ATOM 0 HG1 THR A 52 7.487 13.978 7.962 1.00 1.34 H new ATOM 0 HG21 THR A 52 8.496 14.323 10.106 1.00 43.01 H new ATOM 0 HG22 THR A 52 7.982 15.759 11.023 1.00 43.01 H new ATOM 0 HG23 THR A 52 6.862 14.393 10.808 1.00 43.01 H new ATOM 869 N PRO A 53 5.326 18.096 11.228 1.00 73.10 N ATOM 870 CA PRO A 53 5.554 19.193 12.215 1.00 11.10 C ATOM 871 C PRO A 53 6.899 19.034 12.969 1.00 43.30 C ATOM 872 O PRO A 53 7.078 18.035 13.639 1.00 31.42 O ATOM 873 CB PRO A 53 4.350 19.059 13.190 1.00 3.53 C ATOM 874 CG PRO A 53 3.268 18.413 12.378 1.00 70.24 C ATOM 875 CD PRO A 53 3.973 17.488 11.402 1.00 34.55 C ATOM 0 HA PRO A 53 5.617 20.170 11.736 1.00 11.10 H new ATOM 0 HB2 PRO A 53 4.609 18.452 14.057 1.00 3.53 H new ATOM 0 HB3 PRO A 53 4.035 20.033 13.565 1.00 3.53 H new ATOM 0 HG2 PRO A 53 2.581 17.857 13.016 1.00 70.24 H new ATOM 0 HG3 PRO A 53 2.677 19.161 11.849 1.00 70.24 H new ATOM 0 HD2 PRO A 53 4.040 16.473 11.794 1.00 34.55 H new ATOM 0 HD3 PRO A 53 3.439 17.429 10.454 1.00 34.55 H new ATOM 883 N PRO A 54 7.881 19.982 12.823 1.00 14.23 N ATOM 884 CA PRO A 54 9.190 19.923 13.544 1.00 20.25 C ATOM 885 C PRO A 54 9.078 20.026 15.086 1.00 3.24 C ATOM 886 O PRO A 54 10.060 19.776 15.796 1.00 2.23 O ATOM 887 CB PRO A 54 9.979 21.135 12.962 1.00 1.04 C ATOM 888 CG PRO A 54 9.303 21.431 11.658 1.00 20.54 C ATOM 889 CD PRO A 54 7.840 21.137 11.894 1.00 73.42 C ATOM 0 HA PRO A 54 9.672 18.958 13.391 1.00 20.25 H new ATOM 0 HB2 PRO A 54 9.940 21.993 13.633 1.00 1.04 H new ATOM 0 HB3 PRO A 54 11.031 20.891 12.817 1.00 1.04 H new ATOM 0 HG2 PRO A 54 9.453 22.470 11.363 1.00 20.54 H new ATOM 0 HG3 PRO A 54 9.705 20.811 10.857 1.00 20.54 H new ATOM 0 HD2 PRO A 54 7.322 21.990 12.332 1.00 73.42 H new ATOM 0 HD3 PRO A 54 7.322 20.892 10.967 1.00 73.42 H new ATOM 897 N GLY A 55 7.883 20.400 15.589 1.00 71.33 N ATOM 898 CA GLY A 55 7.647 20.579 17.026 1.00 72.11 C ATOM 899 C GLY A 55 7.328 19.280 17.748 1.00 62.44 C ATOM 900 O GLY A 55 6.270 19.141 18.367 1.00 41.40 O ATOM 0 H GLY A 55 7.064 20.584 15.010 1.00 71.33 H new ATOM 0 HA2 GLY A 55 8.529 21.031 17.479 1.00 72.11 H new ATOM 0 HA3 GLY A 55 6.822 21.278 17.168 1.00 72.11 H new ATOM 904 N ILE A 56 8.260 18.319 17.661 1.00 64.00 N ATOM 905 CA ILE A 56 8.122 16.979 18.249 1.00 64.35 C ATOM 906 C ILE A 56 9.167 16.816 19.362 1.00 72.31 C ATOM 907 O ILE A 56 10.350 17.076 19.131 1.00 1.13 O ATOM 908 CB ILE A 56 8.346 15.867 17.149 1.00 21.24 C ATOM 909 CG1 ILE A 56 7.449 16.113 15.898 1.00 44.22 C ATOM 910 CG2 ILE A 56 8.115 14.451 17.714 1.00 1.32 C ATOM 911 CD1 ILE A 56 5.960 16.288 16.176 1.00 33.01 C ATOM 0 H ILE A 56 9.145 18.454 17.172 1.00 64.00 H new ATOM 0 HA ILE A 56 7.117 16.867 18.656 1.00 64.35 H new ATOM 0 HB ILE A 56 9.388 15.935 16.836 1.00 21.24 H new ATOM 0 HG12 ILE A 56 7.811 17.003 15.384 1.00 44.22 H new ATOM 0 HG13 ILE A 56 7.576 15.275 15.212 1.00 44.22 H new ATOM 0 HG21 ILE A 56 8.279 13.714 16.927 1.00 1.32 H new ATOM 0 HG22 ILE A 56 8.811 14.268 18.533 1.00 1.32 H new ATOM 0 HG23 ILE A 56 7.092 14.368 18.082 1.00 1.32 H new ATOM 0 HD11 ILE A 56 5.431 16.453 15.237 1.00 33.01 H new ATOM 0 HD12 ILE A 56 5.572 15.391 16.658 1.00 33.01 H new ATOM 0 HD13 ILE A 56 5.811 17.146 16.832 1.00 33.01 H new ATOM 923 N THR A 57 8.730 16.417 20.570 1.00 13.41 N ATOM 924 CA THR A 57 9.656 16.086 21.666 1.00 64.23 C ATOM 925 C THR A 57 10.292 14.709 21.404 1.00 25.21 C ATOM 926 O THR A 57 9.790 13.938 20.580 1.00 11.12 O ATOM 927 CB THR A 57 8.940 16.101 23.059 1.00 44.01 C ATOM 928 OG1 THR A 57 9.907 15.945 24.107 1.00 71.51 O ATOM 929 CG2 THR A 57 7.881 14.998 23.197 1.00 13.14 C ATOM 0 H THR A 57 7.744 16.316 20.811 1.00 13.41 H new ATOM 0 HA THR A 57 10.434 16.849 21.695 1.00 64.23 H new ATOM 0 HB THR A 57 8.433 17.063 23.138 1.00 44.01 H new ATOM 0 HG1 THR A 57 9.773 16.642 24.782 1.00 71.51 H new ATOM 0 HG21 THR A 57 7.419 15.058 24.182 1.00 13.14 H new ATOM 0 HG22 THR A 57 7.118 15.128 22.430 1.00 13.14 H new ATOM 0 HG23 THR A 57 8.353 14.023 23.077 1.00 13.14 H new ATOM 937 N ARG A 58 11.350 14.386 22.160 1.00 52.12 N ATOM 938 CA ARG A 58 12.153 13.160 21.956 1.00 74.52 C ATOM 939 C ARG A 58 11.330 11.885 22.275 1.00 61.00 C ATOM 940 O ARG A 58 11.595 10.816 21.720 1.00 32.14 O ATOM 941 CB ARG A 58 13.463 13.212 22.819 1.00 74.02 C ATOM 942 CG ARG A 58 13.301 12.910 24.338 1.00 10.11 C ATOM 943 CD ARG A 58 12.374 13.890 25.091 1.00 52.35 C ATOM 944 NE ARG A 58 12.066 13.429 26.453 1.00 43.24 N ATOM 945 CZ ARG A 58 10.982 13.780 27.166 1.00 32.24 C ATOM 946 NH1 ARG A 58 10.061 14.608 26.669 1.00 72.14 N ATOM 947 NH2 ARG A 58 10.830 13.307 28.393 1.00 54.01 N ATOM 0 H ARG A 58 11.678 14.965 22.933 1.00 52.12 H new ATOM 0 HA ARG A 58 12.434 13.114 20.904 1.00 74.52 H new ATOM 0 HB2 ARG A 58 14.175 12.500 22.403 1.00 74.02 H new ATOM 0 HB3 ARG A 58 13.904 14.203 22.712 1.00 74.02 H new ATOM 0 HG2 ARG A 58 12.911 11.899 24.455 1.00 10.11 H new ATOM 0 HG3 ARG A 58 14.285 12.928 24.806 1.00 10.11 H new ATOM 0 HD2 ARG A 58 12.848 14.870 25.140 1.00 52.35 H new ATOM 0 HD3 ARG A 58 11.446 14.012 24.532 1.00 52.35 H new ATOM 0 HE ARG A 58 12.729 12.791 26.893 1.00 43.24 H new ATOM 0 HH11 ARG A 58 10.171 14.989 25.729 1.00 72.14 H new ATOM 0 HH12 ARG A 58 9.247 14.860 27.229 1.00 72.14 H new ATOM 0 HH21 ARG A 58 11.532 12.682 28.789 1.00 54.01 H new ATOM 0 HH22 ARG A 58 10.011 13.567 28.942 1.00 54.01 H new ATOM 961 N SER A 59 10.310 12.036 23.145 1.00 25.51 N ATOM 962 CA SER A 59 9.423 10.938 23.561 1.00 40.44 C ATOM 963 C SER A 59 8.521 10.510 22.385 1.00 54.02 C ATOM 964 O SER A 59 8.486 9.332 22.007 1.00 62.51 O ATOM 965 CB SER A 59 8.587 11.394 24.778 1.00 14.15 C ATOM 966 OG SER A 59 7.718 10.375 25.230 1.00 10.45 O ATOM 0 H SER A 59 10.080 12.930 23.579 1.00 25.51 H new ATOM 0 HA SER A 59 10.016 10.071 23.853 1.00 40.44 H new ATOM 0 HB2 SER A 59 9.255 11.688 25.588 1.00 14.15 H new ATOM 0 HB3 SER A 59 8.005 12.275 24.509 1.00 14.15 H new ATOM 0 HG SER A 59 7.207 10.699 26.001 1.00 10.45 H new ATOM 972 N ILE A 60 7.847 11.510 21.785 1.00 14.03 N ATOM 973 CA ILE A 60 6.959 11.316 20.626 1.00 73.13 C ATOM 974 C ILE A 60 7.771 10.873 19.397 1.00 13.44 C ATOM 975 O ILE A 60 7.342 9.995 18.655 1.00 51.33 O ATOM 976 CB ILE A 60 6.148 12.626 20.310 1.00 44.24 C ATOM 977 CG1 ILE A 60 5.260 13.021 21.530 1.00 72.25 C ATOM 978 CG2 ILE A 60 5.288 12.473 19.025 1.00 12.23 C ATOM 979 CD1 ILE A 60 4.556 14.354 21.386 1.00 42.10 C ATOM 0 H ILE A 60 7.905 12.480 22.094 1.00 14.03 H new ATOM 0 HA ILE A 60 6.245 10.531 20.873 1.00 73.13 H new ATOM 0 HB ILE A 60 6.865 13.426 20.126 1.00 44.24 H new ATOM 0 HG12 ILE A 60 4.512 12.244 21.686 1.00 72.25 H new ATOM 0 HG13 ILE A 60 5.883 13.048 22.424 1.00 72.25 H new ATOM 0 HG21 ILE A 60 4.743 13.398 18.840 1.00 12.23 H new ATOM 0 HG22 ILE A 60 5.937 12.258 18.176 1.00 12.23 H new ATOM 0 HG23 ILE A 60 4.580 11.655 19.156 1.00 12.23 H new ATOM 0 HD11 ILE A 60 3.961 14.550 22.278 1.00 42.10 H new ATOM 0 HD12 ILE A 60 5.296 15.145 21.263 1.00 42.10 H new ATOM 0 HD13 ILE A 60 3.903 14.328 20.513 1.00 42.10 H new ATOM 991 N GLN A 61 8.965 11.481 19.243 1.00 32.52 N ATOM 992 CA GLN A 61 9.935 11.171 18.173 1.00 74.21 C ATOM 993 C GLN A 61 10.283 9.674 18.168 1.00 35.53 C ATOM 994 O GLN A 61 10.327 9.048 17.109 1.00 43.54 O ATOM 995 CB GLN A 61 11.217 12.020 18.386 1.00 24.34 C ATOM 996 CG GLN A 61 12.388 11.727 17.423 1.00 61.33 C ATOM 997 CD GLN A 61 13.676 12.474 17.792 1.00 12.41 C ATOM 998 OE1 GLN A 61 13.930 12.778 18.960 1.00 53.42 O ATOM 999 NE2 GLN A 61 14.512 12.751 16.810 1.00 33.01 N ATOM 0 H GLN A 61 9.288 12.216 19.872 1.00 32.52 H new ATOM 0 HA GLN A 61 9.490 11.415 17.208 1.00 74.21 H new ATOM 0 HB2 GLN A 61 10.951 13.073 18.294 1.00 24.34 H new ATOM 0 HB3 GLN A 61 11.565 11.867 19.408 1.00 24.34 H new ATOM 0 HG2 GLN A 61 12.586 10.655 17.418 1.00 61.33 H new ATOM 0 HG3 GLN A 61 12.094 12.002 16.410 1.00 61.33 H new ATOM 0 HE21 GLN A 61 14.279 12.489 15.852 1.00 33.01 H new ATOM 0 HE22 GLN A 61 15.392 13.227 17.008 1.00 33.01 H new ATOM 1008 N ASP A 62 10.501 9.116 19.377 1.00 34.22 N ATOM 1009 CA ASP A 62 10.822 7.693 19.557 1.00 43.11 C ATOM 1010 C ASP A 62 9.617 6.801 19.191 1.00 12.14 C ATOM 1011 O ASP A 62 9.783 5.803 18.473 1.00 44.23 O ATOM 1012 CB ASP A 62 11.287 7.422 21.009 1.00 11.00 C ATOM 1013 CG ASP A 62 11.687 5.948 21.238 1.00 54.23 C ATOM 1014 OD1 ASP A 62 10.961 5.202 21.936 1.00 23.20 O ATOM 1015 OD2 ASP A 62 12.725 5.524 20.687 1.00 33.11 O ATOM 0 H ASP A 62 10.459 9.641 20.251 1.00 34.22 H new ATOM 0 HA ASP A 62 11.639 7.441 18.881 1.00 43.11 H new ATOM 0 HB2 ASP A 62 12.136 8.065 21.241 1.00 11.00 H new ATOM 0 HB3 ASP A 62 10.487 7.689 21.699 1.00 11.00 H new ATOM 1020 N MET A 63 8.405 7.184 19.673 1.00 3.13 N ATOM 1021 CA MET A 63 7.149 6.429 19.413 1.00 72.15 C ATOM 1022 C MET A 63 6.905 6.279 17.907 1.00 14.41 C ATOM 1023 O MET A 63 6.795 5.161 17.395 1.00 41.25 O ATOM 1024 CB MET A 63 5.904 7.116 20.035 1.00 33.31 C ATOM 1025 CG MET A 63 5.937 7.327 21.547 1.00 35.31 C ATOM 1026 SD MET A 63 4.350 7.913 22.186 1.00 4.22 S ATOM 1027 CE MET A 63 3.923 9.223 21.029 1.00 63.04 C ATOM 0 H MET A 63 8.271 8.016 20.247 1.00 3.13 H new ATOM 0 HA MET A 63 7.284 5.453 19.879 1.00 72.15 H new ATOM 0 HB2 MET A 63 5.773 8.086 19.556 1.00 33.31 H new ATOM 0 HB3 MET A 63 5.025 6.519 19.791 1.00 33.31 H new ATOM 0 HG2 MET A 63 6.201 6.390 22.038 1.00 35.31 H new ATOM 0 HG3 MET A 63 6.716 8.048 21.795 1.00 35.31 H new ATOM 0 HE1 MET A 63 2.967 9.663 21.314 1.00 63.04 H new ATOM 0 HE2 MET A 63 4.696 9.991 21.048 1.00 63.04 H new ATOM 0 HE3 MET A 63 3.847 8.810 20.023 1.00 63.04 H new ATOM 1037 N VAL A 64 6.842 7.431 17.213 1.00 25.35 N ATOM 1038 CA VAL A 64 6.529 7.482 15.779 1.00 61.23 C ATOM 1039 C VAL A 64 7.654 6.892 14.927 1.00 61.44 C ATOM 1040 O VAL A 64 7.374 6.345 13.879 1.00 13.55 O ATOM 1041 CB VAL A 64 6.177 8.924 15.281 1.00 42.01 C ATOM 1042 CG1 VAL A 64 4.919 9.473 15.998 1.00 44.12 C ATOM 1043 CG2 VAL A 64 7.379 9.876 15.432 1.00 71.55 C ATOM 0 H VAL A 64 7.006 8.347 17.631 1.00 25.35 H new ATOM 0 HA VAL A 64 5.638 6.866 15.654 1.00 61.23 H new ATOM 0 HB VAL A 64 5.944 8.862 14.218 1.00 42.01 H new ATOM 0 HG11 VAL A 64 4.700 10.476 15.631 1.00 44.12 H new ATOM 0 HG12 VAL A 64 4.071 8.819 15.796 1.00 44.12 H new ATOM 0 HG13 VAL A 64 5.100 9.511 17.072 1.00 44.12 H new ATOM 0 HG21 VAL A 64 7.103 10.869 15.078 1.00 71.55 H new ATOM 0 HG22 VAL A 64 7.669 9.932 16.481 1.00 71.55 H new ATOM 0 HG23 VAL A 64 8.217 9.501 14.844 1.00 71.55 H new ATOM 1053 N ALA A 65 8.920 6.992 15.391 1.00 53.24 N ATOM 1054 CA ALA A 65 10.056 6.314 14.730 1.00 21.52 C ATOM 1055 C ALA A 65 9.820 4.792 14.722 1.00 21.24 C ATOM 1056 O ALA A 65 10.089 4.112 13.725 1.00 23.44 O ATOM 1057 CB ALA A 65 11.381 6.655 15.423 1.00 4.12 C ATOM 0 H ALA A 65 9.179 7.533 16.216 1.00 53.24 H new ATOM 0 HA ALA A 65 10.122 6.668 13.701 1.00 21.52 H new ATOM 0 HB1 ALA A 65 12.199 6.143 14.916 1.00 4.12 H new ATOM 0 HB2 ALA A 65 11.546 7.732 15.382 1.00 4.12 H new ATOM 0 HB3 ALA A 65 11.341 6.333 16.464 1.00 4.12 H new ATOM 1063 N GLY A 66 9.259 4.289 15.845 1.00 21.02 N ATOM 1064 CA GLY A 66 8.820 2.901 15.946 1.00 51.32 C ATOM 1065 C GLY A 66 7.699 2.589 14.961 1.00 33.25 C ATOM 1066 O GLY A 66 7.781 1.607 14.233 1.00 14.04 O ATOM 0 H GLY A 66 9.104 4.836 16.692 1.00 21.02 H new ATOM 0 HA2 GLY A 66 9.664 2.238 15.758 1.00 51.32 H new ATOM 0 HA3 GLY A 66 8.478 2.701 16.961 1.00 51.32 H new ATOM 1070 N TYR A 67 6.682 3.479 14.904 1.00 5.30 N ATOM 1071 CA TYR A 67 5.497 3.315 14.029 1.00 42.52 C ATOM 1072 C TYR A 67 5.862 3.313 12.528 1.00 54.23 C ATOM 1073 O TYR A 67 5.267 2.561 11.742 1.00 43.35 O ATOM 1074 CB TYR A 67 4.442 4.421 14.312 1.00 71.24 C ATOM 1075 CG TYR A 67 3.760 4.308 15.688 1.00 31.12 C ATOM 1076 CD1 TYR A 67 3.645 5.409 16.543 1.00 43.13 C ATOM 1077 CD2 TYR A 67 3.220 3.093 16.126 1.00 12.10 C ATOM 1078 CE1 TYR A 67 3.029 5.301 17.776 1.00 3.13 C ATOM 1079 CE2 TYR A 67 2.602 2.984 17.355 1.00 60.11 C ATOM 1080 CZ TYR A 67 2.505 4.087 18.175 1.00 35.14 C ATOM 1081 OH TYR A 67 1.886 3.971 19.406 1.00 53.41 O ATOM 0 H TYR A 67 6.659 4.332 15.463 1.00 5.30 H new ATOM 0 HA TYR A 67 5.073 2.339 14.266 1.00 42.52 H new ATOM 0 HB2 TYR A 67 4.925 5.395 14.238 1.00 71.24 H new ATOM 0 HB3 TYR A 67 3.677 4.384 13.536 1.00 71.24 H new ATOM 0 HD1 TYR A 67 4.046 6.363 16.234 1.00 43.13 H new ATOM 0 HD2 TYR A 67 3.288 2.223 15.489 1.00 12.10 H new ATOM 0 HE1 TYR A 67 2.958 6.162 18.424 1.00 3.13 H new ATOM 0 HE2 TYR A 67 2.195 2.036 17.674 1.00 60.11 H new ATOM 0 HH TYR A 67 1.573 3.051 19.529 1.00 53.41 H new ATOM 1091 N ILE A 68 6.843 4.157 12.143 1.00 51.14 N ATOM 1092 CA ILE A 68 7.322 4.236 10.752 1.00 3.53 C ATOM 1093 C ILE A 68 8.084 2.947 10.413 1.00 33.51 C ATOM 1094 O ILE A 68 7.888 2.370 9.358 1.00 34.34 O ATOM 1095 CB ILE A 68 8.251 5.487 10.479 1.00 73.41 C ATOM 1096 CG1 ILE A 68 7.537 6.817 10.857 1.00 20.53 C ATOM 1097 CG2 ILE A 68 8.692 5.528 8.990 1.00 31.24 C ATOM 1098 CD1 ILE A 68 8.408 8.060 10.751 1.00 21.41 C ATOM 0 H ILE A 68 7.319 4.795 12.781 1.00 51.14 H new ATOM 0 HA ILE A 68 6.445 4.354 10.115 1.00 3.53 H new ATOM 0 HB ILE A 68 9.135 5.382 11.109 1.00 73.41 H new ATOM 0 HG12 ILE A 68 6.668 6.943 10.211 1.00 20.53 H new ATOM 0 HG13 ILE A 68 7.166 6.736 11.879 1.00 20.53 H new ATOM 0 HG21 ILE A 68 9.330 6.396 8.823 1.00 31.24 H new ATOM 0 HG22 ILE A 68 9.244 4.620 8.749 1.00 31.24 H new ATOM 0 HG23 ILE A 68 7.811 5.597 8.351 1.00 31.24 H new ATOM 0 HD11 ILE A 68 7.826 8.937 11.033 1.00 21.41 H new ATOM 0 HD12 ILE A 68 9.264 7.962 11.418 1.00 21.41 H new ATOM 0 HD13 ILE A 68 8.759 8.172 9.725 1.00 21.41 H new ATOM 1110 N LYS A 69 8.925 2.491 11.357 1.00 75.23 N ATOM 1111 CA LYS A 69 9.720 1.252 11.218 1.00 63.23 C ATOM 1112 C LYS A 69 8.787 0.030 11.002 1.00 21.02 C ATOM 1113 O LYS A 69 9.073 -0.848 10.167 1.00 71.11 O ATOM 1114 CB LYS A 69 10.626 1.109 12.480 1.00 14.21 C ATOM 1115 CG LYS A 69 11.634 -0.080 12.504 1.00 20.32 C ATOM 1116 CD LYS A 69 11.049 -1.407 13.053 1.00 30.31 C ATOM 1117 CE LYS A 69 10.529 -1.276 14.499 1.00 42.43 C ATOM 1118 NZ LYS A 69 10.006 -2.568 15.017 1.00 51.01 N ATOM 0 H LYS A 69 9.075 2.972 12.244 1.00 75.23 H new ATOM 0 HA LYS A 69 10.362 1.299 10.339 1.00 63.23 H new ATOM 0 HB2 LYS A 69 11.192 2.033 12.596 1.00 14.21 H new ATOM 0 HB3 LYS A 69 9.978 1.020 13.352 1.00 14.21 H new ATOM 0 HG2 LYS A 69 12.000 -0.250 11.491 1.00 20.32 H new ATOM 0 HG3 LYS A 69 12.495 0.202 13.111 1.00 20.32 H new ATOM 0 HD2 LYS A 69 10.235 -1.735 12.407 1.00 30.31 H new ATOM 0 HD3 LYS A 69 11.816 -2.180 13.016 1.00 30.31 H new ATOM 0 HE2 LYS A 69 11.334 -0.925 15.144 1.00 42.43 H new ATOM 0 HE3 LYS A 69 9.741 -0.524 14.535 1.00 42.43 H new ATOM 0 HZ1 LYS A 69 9.666 -2.439 15.991 1.00 51.01 H new ATOM 0 HZ2 LYS A 69 9.221 -2.891 14.416 1.00 51.01 H new ATOM 0 HZ3 LYS A 69 10.765 -3.279 15.006 1.00 51.01 H new ATOM 1132 N GLN A 70 7.655 0.018 11.740 1.00 10.34 N ATOM 1133 CA GLN A 70 6.609 -1.020 11.614 1.00 72.45 C ATOM 1134 C GLN A 70 5.994 -0.981 10.215 1.00 31.43 C ATOM 1135 O GLN A 70 5.941 -1.999 9.524 1.00 22.31 O ATOM 1136 CB GLN A 70 5.482 -0.809 12.660 1.00 73.11 C ATOM 1137 CG GLN A 70 5.915 -0.916 14.127 1.00 65.45 C ATOM 1138 CD GLN A 70 4.796 -0.582 15.125 1.00 32.13 C ATOM 1139 OE1 GLN A 70 3.558 -0.947 14.807 1.00 64.10 O flip ATOM 1140 NE2 GLN A 70 5.048 -0.025 16.192 1.00 54.03 N flip ATOM 0 H GLN A 70 7.441 0.728 12.440 1.00 10.34 H new ATOM 0 HA GLN A 70 7.081 -1.987 11.789 1.00 72.45 H new ATOM 0 HB2 GLN A 70 5.041 0.175 12.500 1.00 73.11 H new ATOM 0 HB3 GLN A 70 4.698 -1.543 12.476 1.00 73.11 H new ATOM 0 HG2 GLN A 70 6.271 -1.928 14.319 1.00 65.45 H new ATOM 0 HG3 GLN A 70 6.756 -0.244 14.299 1.00 65.45 H new ATOM 0 HE21 GLN A 70 6.007 0.245 16.412 1.00 54.03 H new ATOM 0 HE22 GLN A 70 4.298 0.167 16.857 1.00 54.03 H new ATOM 1149 N THR A 71 5.565 0.227 9.804 1.00 42.21 N ATOM 1150 CA THR A 71 4.827 0.419 8.557 1.00 2.15 C ATOM 1151 C THR A 71 5.725 0.141 7.337 1.00 20.40 C ATOM 1152 O THR A 71 5.243 -0.329 6.325 1.00 62.05 O ATOM 1153 CB THR A 71 4.168 1.844 8.486 1.00 0.12 C ATOM 1154 OG1 THR A 71 3.004 1.792 7.663 1.00 1.41 O ATOM 1155 CG2 THR A 71 5.097 2.950 7.944 1.00 52.42 C ATOM 0 H THR A 71 5.723 1.088 10.328 1.00 42.21 H new ATOM 0 HA THR A 71 4.013 -0.305 8.538 1.00 2.15 H new ATOM 0 HB THR A 71 3.928 2.108 9.516 1.00 0.12 H new ATOM 0 HG1 THR A 71 2.205 1.755 8.229 1.00 1.41 H new ATOM 0 HG21 THR A 71 4.562 3.900 7.929 1.00 52.42 H new ATOM 0 HG22 THR A 71 5.973 3.037 8.587 1.00 52.42 H new ATOM 0 HG23 THR A 71 5.413 2.696 6.932 1.00 52.42 H new ATOM 1163 N LEU A 72 7.043 0.397 7.487 1.00 24.33 N ATOM 1164 CA LEU A 72 8.058 0.116 6.451 1.00 62.34 C ATOM 1165 C LEU A 72 8.223 -1.386 6.248 1.00 44.22 C ATOM 1166 O LEU A 72 8.334 -1.851 5.115 1.00 30.22 O ATOM 1167 CB LEU A 72 9.430 0.736 6.837 1.00 3.05 C ATOM 1168 CG LEU A 72 9.523 2.285 6.755 1.00 54.21 C ATOM 1169 CD1 LEU A 72 10.847 2.796 7.362 1.00 43.44 C ATOM 1170 CD2 LEU A 72 9.342 2.759 5.302 1.00 13.04 C ATOM 0 H LEU A 72 7.434 0.807 8.336 1.00 24.33 H new ATOM 0 HA LEU A 72 7.712 0.567 5.521 1.00 62.34 H new ATOM 0 HB2 LEU A 72 9.671 0.430 7.855 1.00 3.05 H new ATOM 0 HB3 LEU A 72 10.195 0.311 6.187 1.00 3.05 H new ATOM 0 HG LEU A 72 8.713 2.711 7.348 1.00 54.21 H new ATOM 0 HD11 LEU A 72 10.884 3.883 7.291 1.00 43.44 H new ATOM 0 HD12 LEU A 72 10.906 2.499 8.409 1.00 43.44 H new ATOM 0 HD13 LEU A 72 11.687 2.368 6.815 1.00 43.44 H new ATOM 0 HD21 LEU A 72 9.410 3.846 5.263 1.00 13.04 H new ATOM 0 HD22 LEU A 72 10.122 2.324 4.677 1.00 13.04 H new ATOM 0 HD23 LEU A 72 8.365 2.443 4.935 1.00 13.04 H new ATOM 1182 N ASP A 73 8.272 -2.119 7.374 1.00 14.24 N ATOM 1183 CA ASP A 73 8.360 -3.588 7.383 1.00 71.40 C ATOM 1184 C ASP A 73 7.169 -4.195 6.626 1.00 31.43 C ATOM 1185 O ASP A 73 7.349 -4.952 5.668 1.00 3.12 O ATOM 1186 CB ASP A 73 8.394 -4.111 8.846 1.00 0.13 C ATOM 1187 CG ASP A 73 8.305 -5.648 8.936 1.00 63.44 C ATOM 1188 OD1 ASP A 73 7.225 -6.182 9.264 1.00 14.11 O ATOM 1189 OD2 ASP A 73 9.323 -6.332 8.678 1.00 1.51 O ATOM 0 H ASP A 73 8.252 -1.707 8.307 1.00 14.24 H new ATOM 0 HA ASP A 73 9.280 -3.890 6.882 1.00 71.40 H new ATOM 0 HB2 ASP A 73 9.314 -3.777 9.325 1.00 0.13 H new ATOM 0 HB3 ASP A 73 7.567 -3.671 9.403 1.00 0.13 H new ATOM 1194 N ASN A 74 5.956 -3.794 7.048 1.00 52.24 N ATOM 1195 CA ASN A 74 4.697 -4.344 6.529 1.00 31.03 C ATOM 1196 C ASN A 74 4.499 -3.980 5.049 1.00 71.31 C ATOM 1197 O ASN A 74 4.083 -4.820 4.250 1.00 33.40 O ATOM 1198 CB ASN A 74 3.492 -3.843 7.370 1.00 40.21 C ATOM 1199 CG ASN A 74 3.619 -4.073 8.890 1.00 51.10 C ATOM 1200 OD1 ASN A 74 4.406 -5.061 9.325 1.00 61.40 O flip ATOM 1201 ND2 ASN A 74 3.021 -3.349 9.682 1.00 11.25 N flip ATOM 0 H ASN A 74 5.824 -3.077 7.761 1.00 52.24 H new ATOM 0 HA ASN A 74 4.752 -5.430 6.608 1.00 31.03 H new ATOM 0 HB2 ASN A 74 3.360 -2.776 7.189 1.00 40.21 H new ATOM 0 HB3 ASN A 74 2.589 -4.341 7.016 1.00 40.21 H new ATOM 0 HD21 ASN A 74 2.423 -2.598 9.336 1.00 11.25 H new ATOM 0 HD22 ASN A 74 3.122 -3.498 10.686 1.00 11.25 H new ATOM 1208 N GLU A 75 4.840 -2.729 4.699 1.00 44.22 N ATOM 1209 CA GLU A 75 4.676 -2.180 3.338 1.00 60.31 C ATOM 1210 C GLU A 75 5.743 -2.736 2.374 1.00 72.01 C ATOM 1211 O GLU A 75 5.516 -2.813 1.163 1.00 25.05 O ATOM 1212 CB GLU A 75 4.695 -0.634 3.415 1.00 0.44 C ATOM 1213 CG GLU A 75 4.443 0.125 2.105 1.00 14.30 C ATOM 1214 CD GLU A 75 4.198 1.629 2.335 1.00 21.44 C ATOM 1215 OE1 GLU A 75 3.052 2.100 2.132 1.00 5.32 O ATOM 1216 OE2 GLU A 75 5.125 2.338 2.765 1.00 14.14 O ATOM 0 H GLU A 75 5.242 -2.062 5.358 1.00 44.22 H new ATOM 0 HA GLU A 75 3.715 -2.494 2.930 1.00 60.31 H new ATOM 0 HB2 GLU A 75 3.944 -0.320 4.140 1.00 0.44 H new ATOM 0 HB3 GLU A 75 5.664 -0.325 3.806 1.00 0.44 H new ATOM 0 HG2 GLU A 75 5.299 -0.004 1.443 1.00 14.30 H new ATOM 0 HG3 GLU A 75 3.580 -0.307 1.598 1.00 14.30 H new ATOM 1223 N GLN A 76 6.897 -3.155 2.929 1.00 75.25 N ATOM 1224 CA GLN A 76 7.951 -3.851 2.158 1.00 71.35 C ATOM 1225 C GLN A 76 7.501 -5.292 1.851 1.00 20.41 C ATOM 1226 O GLN A 76 7.796 -5.840 0.781 1.00 34.52 O ATOM 1227 CB GLN A 76 9.288 -3.857 2.942 1.00 54.12 C ATOM 1228 CG GLN A 76 10.498 -4.403 2.156 1.00 71.13 C ATOM 1229 CD GLN A 76 11.812 -4.432 2.944 1.00 61.11 C ATOM 1230 OE1 GLN A 76 12.890 -4.255 2.379 1.00 13.24 O ATOM 1231 NE2 GLN A 76 11.745 -4.694 4.244 1.00 2.31 N ATOM 0 H GLN A 76 7.126 -3.023 3.914 1.00 75.25 H new ATOM 0 HA GLN A 76 8.112 -3.320 1.220 1.00 71.35 H new ATOM 0 HB2 GLN A 76 9.510 -2.839 3.261 1.00 54.12 H new ATOM 0 HB3 GLN A 76 9.160 -4.454 3.845 1.00 54.12 H new ATOM 0 HG2 GLN A 76 10.269 -5.414 1.820 1.00 71.13 H new ATOM 0 HG3 GLN A 76 10.639 -3.794 1.263 1.00 71.13 H new ATOM 0 HE21 GLN A 76 10.839 -4.837 4.689 1.00 2.31 H new ATOM 0 HE22 GLN A 76 12.600 -4.752 4.797 1.00 2.31 H new ATOM 1240 N LEU A 77 6.771 -5.892 2.807 1.00 54.01 N ATOM 1241 CA LEU A 77 6.175 -7.226 2.639 1.00 40.44 C ATOM 1242 C LEU A 77 5.004 -7.171 1.641 1.00 24.33 C ATOM 1243 O LEU A 77 4.777 -8.133 0.923 1.00 24.15 O ATOM 1244 CB LEU A 77 5.728 -7.806 4.003 1.00 41.03 C ATOM 1245 CG LEU A 77 6.869 -8.076 5.034 1.00 44.44 C ATOM 1246 CD1 LEU A 77 6.302 -8.583 6.374 1.00 14.42 C ATOM 1247 CD2 LEU A 77 7.924 -9.053 4.460 1.00 73.23 C ATOM 0 H LEU A 77 6.579 -5.467 3.714 1.00 54.01 H new ATOM 0 HA LEU A 77 6.933 -7.895 2.231 1.00 40.44 H new ATOM 0 HB2 LEU A 77 5.013 -7.117 4.453 1.00 41.03 H new ATOM 0 HB3 LEU A 77 5.198 -8.741 3.823 1.00 41.03 H new ATOM 0 HG LEU A 77 7.371 -7.128 5.228 1.00 44.44 H new ATOM 0 HD11 LEU A 77 7.121 -8.762 7.071 1.00 14.42 H new ATOM 0 HD12 LEU A 77 5.628 -7.834 6.790 1.00 14.42 H new ATOM 0 HD13 LEU A 77 5.756 -9.512 6.210 1.00 14.42 H new ATOM 0 HD21 LEU A 77 8.705 -9.221 5.201 1.00 73.23 H new ATOM 0 HD22 LEU A 77 7.446 -10.002 4.215 1.00 73.23 H new ATOM 0 HD23 LEU A 77 8.364 -8.625 3.559 1.00 73.23 H new ATOM 1259 N LEU A 78 4.276 -6.030 1.607 1.00 44.02 N ATOM 1260 CA LEU A 78 3.245 -5.760 0.576 1.00 60.01 C ATOM 1261 C LEU A 78 3.898 -5.681 -0.803 1.00 13.03 C ATOM 1262 O LEU A 78 3.421 -6.271 -1.755 1.00 44.25 O ATOM 1263 CB LEU A 78 2.510 -4.423 0.840 1.00 71.43 C ATOM 1264 CG LEU A 78 1.695 -4.319 2.152 1.00 0.53 C ATOM 1265 CD1 LEU A 78 1.183 -2.876 2.344 1.00 4.32 C ATOM 1266 CD2 LEU A 78 0.543 -5.353 2.178 1.00 33.53 C ATOM 0 H LEU A 78 4.385 -5.277 2.286 1.00 44.02 H new ATOM 0 HA LEU A 78 2.524 -6.576 0.617 1.00 60.01 H new ATOM 0 HB2 LEU A 78 3.250 -3.623 0.836 1.00 71.43 H new ATOM 0 HB3 LEU A 78 1.834 -4.237 0.005 1.00 71.43 H new ATOM 0 HG LEU A 78 2.348 -4.557 2.992 1.00 0.53 H new ATOM 0 HD11 LEU A 78 0.611 -2.813 3.270 1.00 4.32 H new ATOM 0 HD12 LEU A 78 2.031 -2.193 2.394 1.00 4.32 H new ATOM 0 HD13 LEU A 78 0.545 -2.601 1.504 1.00 4.32 H new ATOM 0 HD21 LEU A 78 -0.012 -5.256 3.111 1.00 33.53 H new ATOM 0 HD22 LEU A 78 -0.127 -5.173 1.337 1.00 33.53 H new ATOM 0 HD23 LEU A 78 0.955 -6.359 2.104 1.00 33.53 H new ATOM 1278 N LYS A 79 5.006 -4.930 -0.866 1.00 63.53 N ATOM 1279 CA LYS A 79 5.787 -4.719 -2.091 1.00 41.12 C ATOM 1280 C LYS A 79 6.171 -6.068 -2.740 1.00 4.22 C ATOM 1281 O LYS A 79 5.897 -6.282 -3.918 1.00 63.44 O ATOM 1282 CB LYS A 79 7.032 -3.861 -1.744 1.00 43.12 C ATOM 1283 CG LYS A 79 8.032 -3.637 -2.893 1.00 73.44 C ATOM 1284 CD LYS A 79 9.169 -2.662 -2.504 1.00 23.04 C ATOM 1285 CE LYS A 79 10.298 -2.626 -3.542 1.00 24.54 C ATOM 1286 NZ LYS A 79 9.802 -2.306 -4.907 1.00 11.23 N ATOM 0 H LYS A 79 5.390 -4.445 -0.055 1.00 63.53 H new ATOM 0 HA LYS A 79 5.188 -4.184 -2.828 1.00 41.12 H new ATOM 0 HB2 LYS A 79 6.692 -2.888 -1.388 1.00 43.12 H new ATOM 0 HB3 LYS A 79 7.559 -4.337 -0.917 1.00 43.12 H new ATOM 0 HG2 LYS A 79 8.463 -4.594 -3.188 1.00 73.44 H new ATOM 0 HG3 LYS A 79 7.502 -3.245 -3.761 1.00 73.44 H new ATOM 0 HD2 LYS A 79 8.758 -1.660 -2.385 1.00 23.04 H new ATOM 0 HD3 LYS A 79 9.579 -2.955 -1.537 1.00 23.04 H new ATOM 0 HE2 LYS A 79 11.039 -1.884 -3.244 1.00 24.54 H new ATOM 0 HE3 LYS A 79 10.803 -3.592 -3.559 1.00 24.54 H new ATOM 0 HZ1 LYS A 79 10.601 -2.293 -5.573 1.00 11.23 H new ATOM 0 HZ2 LYS A 79 9.115 -3.028 -5.205 1.00 11.23 H new ATOM 0 HZ3 LYS A 79 9.343 -1.373 -4.900 1.00 11.23 H new ATOM 1300 N GLY A 80 6.726 -6.990 -1.924 1.00 42.43 N ATOM 1301 CA GLY A 80 7.144 -8.319 -2.401 1.00 61.53 C ATOM 1302 C GLY A 80 5.968 -9.256 -2.720 1.00 20.54 C ATOM 1303 O GLY A 80 5.936 -9.879 -3.793 1.00 60.32 O ATOM 0 H GLY A 80 6.894 -6.834 -0.930 1.00 42.43 H new ATOM 0 HA2 GLY A 80 7.755 -8.199 -3.296 1.00 61.53 H new ATOM 0 HA3 GLY A 80 7.775 -8.786 -1.644 1.00 61.53 H new ATOM 1307 N LEU A 81 4.998 -9.332 -1.784 1.00 63.01 N ATOM 1308 CA LEU A 81 3.814 -10.223 -1.882 1.00 50.40 C ATOM 1309 C LEU A 81 2.985 -9.851 -3.121 1.00 41.51 C ATOM 1310 O LEU A 81 2.767 -10.685 -4.013 1.00 55.54 O ATOM 1311 CB LEU A 81 2.980 -10.113 -0.556 1.00 72.22 C ATOM 1312 CG LEU A 81 1.816 -11.143 -0.274 1.00 65.31 C ATOM 1313 CD1 LEU A 81 1.424 -11.118 1.223 1.00 41.32 C ATOM 1314 CD2 LEU A 81 0.554 -10.880 -1.132 1.00 1.41 C ATOM 0 H LEU A 81 5.011 -8.773 -0.931 1.00 63.01 H new ATOM 0 HA LEU A 81 4.125 -11.261 -2.000 1.00 50.40 H new ATOM 0 HB2 LEU A 81 3.681 -10.179 0.276 1.00 72.22 H new ATOM 0 HB3 LEU A 81 2.545 -9.114 -0.527 1.00 72.22 H new ATOM 0 HG LEU A 81 2.204 -12.124 -0.549 1.00 65.31 H new ATOM 0 HD11 LEU A 81 0.621 -11.833 1.401 1.00 41.32 H new ATOM 0 HD12 LEU A 81 2.289 -11.385 1.830 1.00 41.32 H new ATOM 0 HD13 LEU A 81 1.086 -10.118 1.494 1.00 41.32 H new ATOM 0 HD21 LEU A 81 -0.209 -11.620 -0.893 1.00 1.41 H new ATOM 0 HD22 LEU A 81 0.171 -9.882 -0.919 1.00 1.41 H new ATOM 0 HD23 LEU A 81 0.811 -10.953 -2.189 1.00 1.41 H new ATOM 1326 N LEU A 82 2.554 -8.578 -3.168 1.00 43.30 N ATOM 1327 CA LEU A 82 1.740 -8.041 -4.265 1.00 43.45 C ATOM 1328 C LEU A 82 2.528 -8.022 -5.593 1.00 22.41 C ATOM 1329 O LEU A 82 1.913 -8.071 -6.643 1.00 22.21 O ATOM 1330 CB LEU A 82 1.193 -6.620 -3.922 1.00 34.03 C ATOM 1331 CG LEU A 82 0.344 -6.499 -2.608 1.00 41.52 C ATOM 1332 CD1 LEU A 82 -0.119 -5.043 -2.367 1.00 54.45 C ATOM 1333 CD2 LEU A 82 -0.851 -7.475 -2.613 1.00 2.11 C ATOM 0 H LEU A 82 2.763 -7.893 -2.442 1.00 43.30 H new ATOM 0 HA LEU A 82 0.886 -8.706 -4.393 1.00 43.45 H new ATOM 0 HB2 LEU A 82 2.039 -5.937 -3.846 1.00 34.03 H new ATOM 0 HB3 LEU A 82 0.581 -6.278 -4.757 1.00 34.03 H new ATOM 0 HG LEU A 82 0.991 -6.780 -1.777 1.00 41.52 H new ATOM 0 HD11 LEU A 82 -0.704 -4.995 -1.449 1.00 54.45 H new ATOM 0 HD12 LEU A 82 0.752 -4.394 -2.276 1.00 54.45 H new ATOM 0 HD13 LEU A 82 -0.732 -4.712 -3.206 1.00 54.45 H new ATOM 0 HD21 LEU A 82 -1.416 -7.363 -1.688 1.00 2.11 H new ATOM 0 HD22 LEU A 82 -1.498 -7.254 -3.462 1.00 2.11 H new ATOM 0 HD23 LEU A 82 -0.485 -8.498 -2.693 1.00 2.11 H new ATOM 1345 N GLN A 83 3.889 -7.929 -5.541 1.00 2.14 N ATOM 1346 CA GLN A 83 4.744 -8.046 -6.760 1.00 23.42 C ATOM 1347 C GLN A 83 4.488 -9.372 -7.466 1.00 51.43 C ATOM 1348 O GLN A 83 4.246 -9.406 -8.678 1.00 51.31 O ATOM 1349 CB GLN A 83 6.248 -7.922 -6.417 1.00 24.42 C ATOM 1350 CG GLN A 83 7.214 -8.146 -7.602 1.00 43.03 C ATOM 1351 CD GLN A 83 8.691 -8.060 -7.230 1.00 51.40 C ATOM 1352 OE1 GLN A 83 9.043 -8.483 -6.014 1.00 40.01 O flip ATOM 1353 NE2 GLN A 83 9.522 -7.646 -8.041 1.00 5.21 N flip ATOM 0 H GLN A 83 4.412 -7.775 -4.679 1.00 2.14 H new ATOM 0 HA GLN A 83 4.477 -7.224 -7.424 1.00 23.42 H new ATOM 0 HB2 GLN A 83 6.429 -6.930 -6.004 1.00 24.42 H new ATOM 0 HB3 GLN A 83 6.486 -8.642 -5.634 1.00 24.42 H new ATOM 0 HG2 GLN A 83 7.017 -9.126 -8.037 1.00 43.03 H new ATOM 0 HG3 GLN A 83 7.002 -7.406 -8.374 1.00 43.03 H new ATOM 0 HE21 GLN A 83 9.221 -7.330 -8.963 1.00 5.21 H new ATOM 0 HE22 GLN A 83 10.510 -7.620 -7.790 1.00 5.21 H new ATOM 1362 N GLN A 84 4.532 -10.454 -6.669 1.00 65.10 N ATOM 1363 CA GLN A 84 4.274 -11.814 -7.158 1.00 63.50 C ATOM 1364 C GLN A 84 2.841 -11.918 -7.690 1.00 32.41 C ATOM 1365 O GLN A 84 2.629 -12.352 -8.818 1.00 62.22 O ATOM 1366 CB GLN A 84 4.498 -12.845 -6.032 1.00 54.14 C ATOM 1367 CG GLN A 84 5.879 -12.756 -5.355 1.00 4.31 C ATOM 1368 CD GLN A 84 6.101 -13.806 -4.266 1.00 30.14 C ATOM 1369 OE1 GLN A 84 5.597 -15.017 -4.470 1.00 35.33 O flip ATOM 1370 NE2 GLN A 84 6.762 -13.545 -3.265 1.00 43.52 N flip ATOM 0 H GLN A 84 4.747 -10.408 -5.673 1.00 65.10 H new ATOM 0 HA GLN A 84 4.970 -12.030 -7.969 1.00 63.50 H new ATOM 0 HB2 GLN A 84 3.726 -12.711 -5.274 1.00 54.14 H new ATOM 0 HB3 GLN A 84 4.372 -13.847 -6.442 1.00 54.14 H new ATOM 0 HG2 GLN A 84 6.653 -12.864 -6.114 1.00 4.31 H new ATOM 0 HG3 GLN A 84 5.997 -11.764 -4.919 1.00 4.31 H new ATOM 0 HE21 GLN A 84 7.138 -12.606 -3.133 1.00 43.52 H new ATOM 0 HE22 GLN A 84 6.935 -14.267 -2.566 1.00 43.52 H new ATOM 1379 N ARG A 85 1.876 -11.444 -6.869 1.00 61.33 N ATOM 1380 CA ARG A 85 0.436 -11.524 -7.166 1.00 15.04 C ATOM 1381 C ARG A 85 0.103 -10.864 -8.517 1.00 1.45 C ATOM 1382 O ARG A 85 -0.501 -11.489 -9.379 1.00 40.24 O ATOM 1383 CB ARG A 85 -0.394 -10.867 -6.034 1.00 61.42 C ATOM 1384 CG ARG A 85 -0.301 -11.554 -4.649 1.00 72.43 C ATOM 1385 CD ARG A 85 -1.133 -12.850 -4.515 1.00 52.11 C ATOM 1386 NE ARG A 85 -0.578 -14.022 -5.227 1.00 23.10 N ATOM 1387 CZ ARG A 85 -0.786 -15.304 -4.868 1.00 44.12 C ATOM 1388 NH1 ARG A 85 -1.524 -15.611 -3.797 1.00 34.03 N ATOM 1389 NH2 ARG A 85 -0.277 -16.282 -5.603 1.00 61.44 N ATOM 0 H ARG A 85 2.081 -10.993 -5.977 1.00 61.33 H new ATOM 0 HA ARG A 85 0.173 -12.580 -7.230 1.00 15.04 H new ATOM 0 HB2 ARG A 85 -0.073 -9.831 -5.928 1.00 61.42 H new ATOM 0 HB3 ARG A 85 -1.440 -10.847 -6.340 1.00 61.42 H new ATOM 0 HG2 ARG A 85 0.744 -11.786 -4.443 1.00 72.43 H new ATOM 0 HG3 ARG A 85 -0.627 -10.848 -3.885 1.00 72.43 H new ATOM 0 HD2 ARG A 85 -1.227 -13.097 -3.457 1.00 52.11 H new ATOM 0 HD3 ARG A 85 -2.139 -12.659 -4.888 1.00 52.11 H new ATOM 0 HE ARG A 85 0.003 -13.847 -6.047 1.00 23.10 H new ATOM 0 HH11 ARG A 85 -1.941 -14.869 -3.235 1.00 34.03 H new ATOM 0 HH12 ARG A 85 -1.670 -16.588 -3.541 1.00 34.03 H new ATOM 0 HH21 ARG A 85 0.269 -16.063 -6.436 1.00 61.44 H new ATOM 0 HH22 ARG A 85 -0.431 -17.254 -5.336 1.00 61.44 H new ATOM 1403 N LEU A 86 0.544 -9.610 -8.684 1.00 15.24 N ATOM 1404 CA LEU A 86 0.282 -8.796 -9.891 1.00 43.45 C ATOM 1405 C LEU A 86 1.017 -9.326 -11.131 1.00 14.03 C ATOM 1406 O LEU A 86 0.514 -9.189 -12.244 1.00 71.33 O ATOM 1407 CB LEU A 86 0.672 -7.320 -9.627 1.00 43.15 C ATOM 1408 CG LEU A 86 -0.155 -6.611 -8.514 1.00 0.25 C ATOM 1409 CD1 LEU A 86 0.341 -5.176 -8.276 1.00 51.30 C ATOM 1410 CD2 LEU A 86 -1.658 -6.642 -8.841 1.00 73.12 C ATOM 0 H LEU A 86 1.099 -9.122 -7.981 1.00 15.24 H new ATOM 0 HA LEU A 86 -0.785 -8.863 -10.102 1.00 43.45 H new ATOM 0 HB2 LEU A 86 1.727 -7.281 -9.355 1.00 43.15 H new ATOM 0 HB3 LEU A 86 0.561 -6.759 -10.555 1.00 43.15 H new ATOM 0 HG LEU A 86 -0.007 -7.162 -7.585 1.00 0.25 H new ATOM 0 HD11 LEU A 86 -0.257 -4.709 -7.493 1.00 51.30 H new ATOM 0 HD12 LEU A 86 1.387 -5.199 -7.969 1.00 51.30 H new ATOM 0 HD13 LEU A 86 0.246 -4.601 -9.197 1.00 51.30 H new ATOM 0 HD21 LEU A 86 -2.213 -6.141 -8.048 1.00 73.12 H new ATOM 0 HD22 LEU A 86 -1.835 -6.131 -9.787 1.00 73.12 H new ATOM 0 HD23 LEU A 86 -1.992 -7.677 -8.919 1.00 73.12 H new ATOM 1422 N ASP A 87 2.208 -9.914 -10.927 1.00 4.42 N ATOM 1423 CA ASP A 87 2.994 -10.544 -12.010 1.00 45.31 C ATOM 1424 C ASP A 87 2.224 -11.746 -12.589 1.00 63.01 C ATOM 1425 O ASP A 87 2.078 -11.889 -13.814 1.00 32.14 O ATOM 1426 CB ASP A 87 4.380 -10.990 -11.475 1.00 53.55 C ATOM 1427 CG ASP A 87 5.250 -11.681 -12.539 1.00 12.51 C ATOM 1428 OD1 ASP A 87 5.845 -10.975 -13.383 1.00 44.10 O ATOM 1429 OD2 ASP A 87 5.370 -12.922 -12.522 1.00 15.05 O ATOM 0 H ASP A 87 2.655 -9.968 -10.012 1.00 4.42 H new ATOM 0 HA ASP A 87 3.150 -9.816 -12.806 1.00 45.31 H new ATOM 0 HB2 ASP A 87 4.911 -10.119 -11.091 1.00 53.55 H new ATOM 0 HB3 ASP A 87 4.236 -11.670 -10.636 1.00 53.55 H new ATOM 1434 N GLU A 88 1.709 -12.580 -11.668 1.00 23.31 N ATOM 1435 CA GLU A 88 0.878 -13.745 -11.991 1.00 12.23 C ATOM 1436 C GLU A 88 -0.410 -13.297 -12.706 1.00 64.32 C ATOM 1437 O GLU A 88 -0.702 -13.778 -13.799 1.00 62.02 O ATOM 1438 CB GLU A 88 0.540 -14.535 -10.699 1.00 42.12 C ATOM 1439 CG GLU A 88 1.767 -15.130 -9.975 1.00 74.32 C ATOM 1440 CD GLU A 88 1.435 -15.689 -8.583 1.00 64.24 C ATOM 1441 OE1 GLU A 88 1.333 -16.928 -8.412 1.00 42.44 O ATOM 1442 OE2 GLU A 88 1.243 -14.885 -7.645 1.00 32.12 O ATOM 0 H GLU A 88 1.862 -12.459 -10.667 1.00 23.31 H new ATOM 0 HA GLU A 88 1.434 -14.401 -12.661 1.00 12.23 H new ATOM 0 HB2 GLU A 88 0.013 -13.874 -10.011 1.00 42.12 H new ATOM 0 HB3 GLU A 88 -0.145 -15.344 -10.951 1.00 42.12 H new ATOM 0 HG2 GLU A 88 2.192 -15.926 -10.587 1.00 74.32 H new ATOM 0 HG3 GLU A 88 2.532 -14.360 -9.877 1.00 74.32 H new ATOM 1449 N LEU A 89 -1.131 -12.320 -12.093 1.00 75.11 N ATOM 1450 CA LEU A 89 -2.406 -11.788 -12.626 1.00 41.03 C ATOM 1451 C LEU A 89 -2.221 -11.219 -14.042 1.00 35.40 C ATOM 1452 O LEU A 89 -3.026 -11.492 -14.914 1.00 75.43 O ATOM 1453 CB LEU A 89 -3.021 -10.693 -11.693 1.00 3.32 C ATOM 1454 CG LEU A 89 -3.512 -11.166 -10.287 1.00 73.45 C ATOM 1455 CD1 LEU A 89 -4.110 -9.986 -9.488 1.00 75.40 C ATOM 1456 CD2 LEU A 89 -4.523 -12.328 -10.403 1.00 52.35 C ATOM 0 H LEU A 89 -0.842 -11.883 -11.218 1.00 75.11 H new ATOM 0 HA LEU A 89 -3.100 -12.627 -12.667 1.00 41.03 H new ATOM 0 HB2 LEU A 89 -2.275 -9.911 -11.548 1.00 3.32 H new ATOM 0 HB3 LEU A 89 -3.864 -10.237 -12.212 1.00 3.32 H new ATOM 0 HG LEU A 89 -2.646 -11.540 -9.741 1.00 73.45 H new ATOM 0 HD11 LEU A 89 -4.445 -10.340 -8.513 1.00 75.40 H new ATOM 0 HD12 LEU A 89 -3.351 -9.216 -9.354 1.00 75.40 H new ATOM 0 HD13 LEU A 89 -4.957 -9.569 -10.033 1.00 75.40 H new ATOM 0 HD21 LEU A 89 -4.844 -12.632 -9.407 1.00 52.35 H new ATOM 0 HD22 LEU A 89 -5.389 -12.001 -10.979 1.00 52.35 H new ATOM 0 HD23 LEU A 89 -4.051 -13.172 -10.906 1.00 52.35 H new ATOM 1468 N SER A 90 -1.124 -10.468 -14.248 1.00 32.45 N ATOM 1469 CA SER A 90 -0.803 -9.835 -15.546 1.00 61.32 C ATOM 1470 C SER A 90 -0.594 -10.897 -16.641 1.00 24.13 C ATOM 1471 O SER A 90 -1.056 -10.731 -17.776 1.00 55.23 O ATOM 1472 CB SER A 90 0.461 -8.950 -15.404 1.00 42.41 C ATOM 1473 OG SER A 90 0.777 -8.272 -16.610 1.00 4.35 O ATOM 0 H SER A 90 -0.433 -10.281 -13.521 1.00 32.45 H new ATOM 0 HA SER A 90 -1.645 -9.209 -15.841 1.00 61.32 H new ATOM 0 HB2 SER A 90 0.305 -8.221 -14.609 1.00 42.41 H new ATOM 0 HB3 SER A 90 1.306 -9.571 -15.106 1.00 42.41 H new ATOM 0 HG SER A 90 1.579 -7.724 -16.477 1.00 4.35 H new ATOM 1479 N SER A 91 0.093 -11.994 -16.273 1.00 24.51 N ATOM 1480 CA SER A 91 0.332 -13.135 -17.173 1.00 11.40 C ATOM 1481 C SER A 91 -0.998 -13.840 -17.532 1.00 72.54 C ATOM 1482 O SER A 91 -1.222 -14.222 -18.688 1.00 52.24 O ATOM 1483 CB SER A 91 1.320 -14.120 -16.507 1.00 43.03 C ATOM 1484 OG SER A 91 1.694 -15.169 -17.384 1.00 45.14 O ATOM 0 H SER A 91 0.497 -12.113 -15.344 1.00 24.51 H new ATOM 0 HA SER A 91 0.771 -12.770 -18.102 1.00 11.40 H new ATOM 0 HB2 SER A 91 2.211 -13.580 -16.187 1.00 43.03 H new ATOM 0 HB3 SER A 91 0.864 -14.541 -15.611 1.00 43.03 H new ATOM 0 HG SER A 91 2.320 -15.769 -16.928 1.00 45.14 H new ATOM 1490 N LEU A 92 -1.882 -13.973 -16.524 1.00 11.11 N ATOM 1491 CA LEU A 92 -3.209 -14.609 -16.671 1.00 74.34 C ATOM 1492 C LEU A 92 -4.133 -13.773 -17.585 1.00 3.14 C ATOM 1493 O LEU A 92 -4.841 -14.321 -18.439 1.00 21.31 O ATOM 1494 CB LEU A 92 -3.860 -14.792 -15.273 1.00 25.32 C ATOM 1495 CG LEU A 92 -3.106 -15.732 -14.279 1.00 2.42 C ATOM 1496 CD1 LEU A 92 -3.755 -15.690 -12.879 1.00 42.10 C ATOM 1497 CD2 LEU A 92 -3.020 -17.178 -14.821 1.00 40.33 C ATOM 0 H LEU A 92 -1.696 -13.640 -15.578 1.00 11.11 H new ATOM 0 HA LEU A 92 -3.072 -15.584 -17.138 1.00 74.34 H new ATOM 0 HB2 LEU A 92 -3.957 -13.810 -14.809 1.00 25.32 H new ATOM 0 HB3 LEU A 92 -4.869 -15.180 -15.413 1.00 25.32 H new ATOM 0 HG LEU A 92 -2.085 -15.363 -14.183 1.00 2.42 H new ATOM 0 HD11 LEU A 92 -3.211 -16.353 -12.206 1.00 42.10 H new ATOM 0 HD12 LEU A 92 -3.720 -14.672 -12.492 1.00 42.10 H new ATOM 0 HD13 LEU A 92 -4.793 -16.016 -12.949 1.00 42.10 H new ATOM 0 HD21 LEU A 92 -2.489 -17.804 -14.104 1.00 40.33 H new ATOM 0 HD22 LEU A 92 -4.026 -17.571 -14.971 1.00 40.33 H new ATOM 0 HD23 LEU A 92 -2.484 -17.179 -15.770 1.00 40.33 H new ATOM 1509 N ILE A 93 -4.091 -12.438 -17.391 1.00 70.32 N ATOM 1510 CA ILE A 93 -4.865 -11.462 -18.184 1.00 3.25 C ATOM 1511 C ILE A 93 -4.374 -11.472 -19.641 1.00 62.42 C ATOM 1512 O ILE A 93 -5.175 -11.402 -20.566 1.00 14.23 O ATOM 1513 CB ILE A 93 -4.760 -10.004 -17.568 1.00 31.14 C ATOM 1514 CG1 ILE A 93 -5.400 -9.961 -16.142 1.00 42.21 C ATOM 1515 CG2 ILE A 93 -5.408 -8.932 -18.484 1.00 52.50 C ATOM 1516 CD1 ILE A 93 -5.219 -8.644 -15.401 1.00 20.12 C ATOM 0 H ILE A 93 -3.513 -12.004 -16.672 1.00 70.32 H new ATOM 0 HA ILE A 93 -5.915 -11.753 -18.158 1.00 3.25 H new ATOM 0 HB ILE A 93 -3.699 -9.765 -17.489 1.00 31.14 H new ATOM 0 HG12 ILE A 93 -6.466 -10.168 -16.231 1.00 42.21 H new ATOM 0 HG13 ILE A 93 -4.969 -10.762 -15.541 1.00 42.21 H new ATOM 0 HG21 ILE A 93 -5.311 -7.950 -18.020 1.00 52.50 H new ATOM 0 HG22 ILE A 93 -4.905 -8.928 -19.451 1.00 52.50 H new ATOM 0 HG23 ILE A 93 -6.464 -9.164 -18.625 1.00 52.50 H new ATOM 0 HD11 ILE A 93 -5.695 -8.708 -14.423 1.00 20.12 H new ATOM 0 HD12 ILE A 93 -4.156 -8.441 -15.274 1.00 20.12 H new ATOM 0 HD13 ILE A 93 -5.676 -7.838 -15.975 1.00 20.12 H new ATOM 1528 N GLY A 94 -3.047 -11.616 -19.823 1.00 5.15 N ATOM 1529 CA GLY A 94 -2.444 -11.690 -21.157 1.00 24.00 C ATOM 1530 C GLY A 94 -2.936 -12.886 -21.971 1.00 32.40 C ATOM 1531 O GLY A 94 -3.031 -12.816 -23.195 1.00 53.23 O ATOM 0 H GLY A 94 -2.376 -11.683 -19.058 1.00 5.15 H new ATOM 0 HA2 GLY A 94 -2.666 -10.772 -21.701 1.00 24.00 H new ATOM 0 HA3 GLY A 94 -1.360 -11.747 -21.057 1.00 24.00 H new ATOM 1535 N GLN A 95 -3.266 -13.982 -21.274 1.00 61.12 N ATOM 1536 CA GLN A 95 -3.750 -15.223 -21.903 1.00 32.11 C ATOM 1537 C GLN A 95 -5.249 -15.149 -22.248 1.00 24.04 C ATOM 1538 O GLN A 95 -5.663 -15.628 -23.302 1.00 1.21 O ATOM 1539 CB GLN A 95 -3.483 -16.430 -20.965 1.00 32.20 C ATOM 1540 CG GLN A 95 -1.995 -16.694 -20.671 1.00 3.44 C ATOM 1541 CD GLN A 95 -1.171 -17.010 -21.921 1.00 42.43 C ATOM 1542 OE1 GLN A 95 -0.602 -16.119 -22.556 1.00 45.55 O ATOM 1543 NE2 GLN A 95 -1.106 -18.281 -22.290 1.00 22.13 N ATOM 0 H GLN A 95 -3.206 -14.035 -20.257 1.00 61.12 H new ATOM 0 HA GLN A 95 -3.203 -15.353 -22.837 1.00 32.11 H new ATOM 0 HB2 GLN A 95 -4.002 -16.262 -20.021 1.00 32.20 H new ATOM 0 HB3 GLN A 95 -3.916 -17.325 -21.413 1.00 32.20 H new ATOM 0 HG2 GLN A 95 -1.570 -15.820 -20.177 1.00 3.44 H new ATOM 0 HG3 GLN A 95 -1.913 -17.526 -19.972 1.00 3.44 H new ATOM 0 HE21 GLN A 95 -1.587 -18.996 -21.744 1.00 22.13 H new ATOM 0 HE22 GLN A 95 -0.575 -18.545 -23.120 1.00 22.13 H new ATOM 1552 N VAL A 96 -6.065 -14.556 -21.354 1.00 64.33 N ATOM 1553 CA VAL A 96 -7.545 -14.635 -21.458 1.00 33.41 C ATOM 1554 C VAL A 96 -8.161 -13.412 -22.170 1.00 24.13 C ATOM 1555 O VAL A 96 -9.185 -13.548 -22.851 1.00 34.10 O ATOM 1556 CB VAL A 96 -8.208 -14.848 -20.043 1.00 11.02 C ATOM 1557 CG1 VAL A 96 -7.633 -16.115 -19.368 1.00 53.20 C ATOM 1558 CG2 VAL A 96 -8.060 -13.608 -19.121 1.00 55.05 C ATOM 0 H VAL A 96 -5.731 -14.019 -20.554 1.00 64.33 H new ATOM 0 HA VAL A 96 -7.761 -15.505 -22.078 1.00 33.41 H new ATOM 0 HB VAL A 96 -9.277 -14.986 -20.203 1.00 11.02 H new ATOM 0 HG11 VAL A 96 -8.099 -16.251 -18.392 1.00 53.20 H new ATOM 0 HG12 VAL A 96 -7.838 -16.985 -19.992 1.00 53.20 H new ATOM 0 HG13 VAL A 96 -6.556 -16.004 -19.243 1.00 53.20 H new ATOM 0 HG21 VAL A 96 -8.534 -13.810 -18.161 1.00 55.05 H new ATOM 0 HG22 VAL A 96 -7.003 -13.394 -18.966 1.00 55.05 H new ATOM 0 HG23 VAL A 96 -8.539 -12.748 -19.588 1.00 55.05 H new ATOM 1568 N LEU A 97 -7.533 -12.231 -22.014 1.00 13.11 N ATOM 1569 CA LEU A 97 -8.042 -10.979 -22.604 1.00 52.34 C ATOM 1570 C LEU A 97 -7.806 -11.020 -24.124 1.00 73.25 C ATOM 1571 O LEU A 97 -6.655 -10.997 -24.586 1.00 20.23 O ATOM 1572 CB LEU A 97 -7.354 -9.715 -21.967 1.00 2.32 C ATOM 1573 CG LEU A 97 -8.213 -8.400 -21.847 1.00 11.41 C ATOM 1574 CD1 LEU A 97 -7.373 -7.233 -21.280 1.00 71.41 C ATOM 1575 CD2 LEU A 97 -8.906 -7.988 -23.167 1.00 51.53 C ATOM 0 H LEU A 97 -6.670 -12.118 -21.483 1.00 13.11 H new ATOM 0 HA LEU A 97 -9.109 -10.896 -22.395 1.00 52.34 H new ATOM 0 HB2 LEU A 97 -7.013 -9.986 -20.968 1.00 2.32 H new ATOM 0 HB3 LEU A 97 -6.466 -9.484 -22.555 1.00 2.32 H new ATOM 0 HG LEU A 97 -9.013 -8.633 -21.144 1.00 11.41 H new ATOM 0 HD11 LEU A 97 -7.993 -6.339 -21.209 1.00 71.41 H new ATOM 0 HD12 LEU A 97 -7.004 -7.498 -20.289 1.00 71.41 H new ATOM 0 HD13 LEU A 97 -6.529 -7.037 -21.941 1.00 71.41 H new ATOM 0 HD21 LEU A 97 -9.479 -7.075 -23.007 1.00 51.53 H new ATOM 0 HD22 LEU A 97 -8.152 -7.814 -23.935 1.00 51.53 H new ATOM 0 HD23 LEU A 97 -9.576 -8.785 -23.490 1.00 51.53 H new ATOM 1587 N PHE A 98 -8.907 -11.094 -24.881 1.00 44.30 N ATOM 1588 CA PHE A 98 -8.885 -10.957 -26.334 1.00 13.51 C ATOM 1589 C PHE A 98 -8.788 -9.450 -26.674 1.00 54.50 C ATOM 1590 O PHE A 98 -9.781 -8.791 -26.999 1.00 73.25 O ATOM 1591 CB PHE A 98 -10.147 -11.620 -26.958 1.00 71.41 C ATOM 1592 CG PHE A 98 -10.382 -13.089 -26.592 1.00 50.55 C ATOM 1593 CD1 PHE A 98 -9.341 -14.015 -26.612 1.00 14.12 C ATOM 1594 CD2 PHE A 98 -11.658 -13.547 -26.254 1.00 50.45 C ATOM 1595 CE1 PHE A 98 -9.566 -15.346 -26.305 1.00 21.11 C ATOM 1596 CE2 PHE A 98 -11.879 -14.875 -25.943 1.00 63.22 C ATOM 1597 CZ PHE A 98 -10.835 -15.775 -25.970 1.00 23.11 C ATOM 0 H PHE A 98 -9.839 -11.251 -24.498 1.00 44.30 H new ATOM 0 HA PHE A 98 -8.022 -11.470 -26.758 1.00 13.51 H new ATOM 0 HB2 PHE A 98 -11.023 -11.046 -26.655 1.00 71.41 H new ATOM 0 HB3 PHE A 98 -10.075 -11.543 -28.043 1.00 71.41 H new ATOM 0 HD1 PHE A 98 -8.344 -13.690 -26.871 1.00 14.12 H new ATOM 0 HD2 PHE A 98 -12.485 -12.852 -26.236 1.00 50.45 H new ATOM 0 HE1 PHE A 98 -8.747 -16.050 -26.328 1.00 21.11 H new ATOM 0 HE2 PHE A 98 -12.871 -15.209 -25.678 1.00 63.22 H new ATOM 0 HZ PHE A 98 -11.009 -16.813 -25.730 1.00 23.11 H new ATOM 1607 N GLN A 99 -7.569 -8.901 -26.522 1.00 74.31 N ATOM 1608 CA GLN A 99 -7.294 -7.450 -26.663 1.00 62.51 C ATOM 1609 C GLN A 99 -6.889 -7.083 -28.101 1.00 14.44 C ATOM 1610 O GLN A 99 -6.445 -5.960 -28.352 1.00 3.14 O ATOM 1611 CB GLN A 99 -6.227 -6.997 -25.594 1.00 24.42 C ATOM 1612 CG GLN A 99 -5.031 -7.965 -25.365 1.00 2.11 C ATOM 1613 CD GLN A 99 -4.039 -8.077 -26.524 1.00 74.14 C ATOM 1614 OE1 GLN A 99 -3.485 -9.141 -26.773 1.00 30.44 O ATOM 1615 NE2 GLN A 99 -3.761 -6.979 -27.208 1.00 32.41 N ATOM 0 H GLN A 99 -6.739 -9.450 -26.297 1.00 74.31 H new ATOM 0 HA GLN A 99 -8.214 -6.899 -26.466 1.00 62.51 H new ATOM 0 HB2 GLN A 99 -5.830 -6.028 -25.895 1.00 24.42 H new ATOM 0 HB3 GLN A 99 -6.737 -6.851 -24.642 1.00 24.42 H new ATOM 0 HG2 GLN A 99 -4.489 -7.640 -24.477 1.00 2.11 H new ATOM 0 HG3 GLN A 99 -5.426 -8.958 -25.152 1.00 2.11 H new ATOM 0 HE21 GLN A 99 -4.235 -6.104 -26.983 1.00 32.41 H new ATOM 0 HE22 GLN A 99 -3.073 -7.007 -27.960 1.00 32.41 H new ATOM 1624 N GLY A 100 -7.075 -8.020 -29.037 1.00 35.02 N ATOM 1625 CA GLY A 100 -6.755 -7.790 -30.441 1.00 43.32 C ATOM 1626 C GLY A 100 -6.566 -9.105 -31.178 1.00 71.41 C ATOM 1627 O GLY A 100 -7.378 -9.438 -32.049 1.00 43.43 O ATOM 0 H GLY A 100 -7.448 -8.949 -28.841 1.00 35.02 H new ATOM 0 HA2 GLY A 100 -7.554 -7.217 -30.911 1.00 43.32 H new ATOM 0 HA3 GLY A 100 -5.847 -7.192 -30.518 1.00 43.32 H new ATOM 1631 N PRO A 101 -5.468 -9.873 -30.881 1.00 55.52 N ATOM 1632 CA PRO A 101 -5.289 -11.255 -31.389 1.00 21.45 C ATOM 1633 C PRO A 101 -6.143 -12.272 -30.598 1.00 44.22 C ATOM 1634 O PRO A 101 -7.068 -11.877 -29.861 1.00 15.33 O ATOM 1635 CB PRO A 101 -3.770 -11.492 -31.197 1.00 11.04 C ATOM 1636 CG PRO A 101 -3.421 -10.688 -29.983 1.00 75.13 C ATOM 1637 CD PRO A 101 -4.298 -9.450 -30.052 1.00 64.55 C ATOM 0 HA PRO A 101 -5.613 -11.383 -32.422 1.00 21.45 H new ATOM 0 HB2 PRO A 101 -3.548 -12.549 -31.052 1.00 11.04 H new ATOM 0 HB3 PRO A 101 -3.203 -11.164 -32.068 1.00 11.04 H new ATOM 0 HG2 PRO A 101 -3.610 -11.253 -29.070 1.00 75.13 H new ATOM 0 HG3 PRO A 101 -2.364 -10.421 -29.979 1.00 75.13 H new ATOM 0 HD2 PRO A 101 -4.610 -9.127 -29.059 1.00 64.55 H new ATOM 0 HD3 PRO A 101 -3.769 -8.613 -30.508 1.00 64.55 H new ATOM 1645 N SER A 102 -5.823 -13.582 -30.776 1.00 42.24 N ATOM 1646 CA SER A 102 -6.521 -14.707 -30.114 1.00 23.33 C ATOM 1647 C SER A 102 -7.995 -14.804 -30.571 1.00 43.43 C ATOM 1648 O SER A 102 -8.854 -15.328 -29.852 1.00 74.44 O ATOM 1649 CB SER A 102 -6.397 -14.577 -28.577 1.00 24.04 C ATOM 1650 OG SER A 102 -5.038 -14.522 -28.170 1.00 73.22 O ATOM 0 H SER A 102 -5.066 -13.884 -31.389 1.00 42.24 H new ATOM 0 HA SER A 102 -6.042 -15.639 -30.413 1.00 23.33 H new ATOM 0 HB2 SER A 102 -6.915 -13.678 -28.243 1.00 24.04 H new ATOM 0 HB3 SER A 102 -6.888 -15.424 -28.098 1.00 24.04 H new ATOM 0 HG SER A 102 -4.992 -14.438 -27.195 1.00 73.22 H new ATOM 1656 N ALA A 103 -8.247 -14.337 -31.805 1.00 0.01 N ATOM 1657 CA ALA A 103 -9.587 -14.301 -32.417 1.00 45.35 C ATOM 1658 C ALA A 103 -9.462 -14.161 -33.938 1.00 61.21 C ATOM 1659 O ALA A 103 -8.447 -13.654 -34.435 1.00 14.42 O ATOM 1660 CB ALA A 103 -10.415 -13.144 -31.834 1.00 34.12 C ATOM 0 H ALA A 103 -7.516 -13.969 -32.414 1.00 0.01 H new ATOM 0 HA ALA A 103 -10.102 -15.235 -32.191 1.00 45.35 H new ATOM 0 HB1 ALA A 103 -11.401 -13.133 -32.298 1.00 34.12 H new ATOM 0 HB2 ALA A 103 -10.521 -13.279 -30.758 1.00 34.12 H new ATOM 0 HB3 ALA A 103 -9.910 -12.199 -32.033 1.00 34.12 H new ATOM 1666 N GLY A 104 -10.491 -14.632 -34.670 1.00 63.51 N ATOM 1667 CA GLY A 104 -10.550 -14.461 -36.127 1.00 34.25 C ATOM 1668 C GLY A 104 -10.903 -13.027 -36.522 1.00 72.50 C ATOM 1669 O GLY A 104 -10.449 -12.521 -37.556 1.00 23.21 O ATOM 0 H GLY A 104 -11.287 -15.131 -34.274 1.00 63.51 H new ATOM 0 HA2 GLY A 104 -9.588 -14.731 -36.563 1.00 34.25 H new ATOM 0 HA3 GLY A 104 -11.291 -15.144 -36.542 1.00 34.25 H new ATOM 1673 N LEU A 105 -11.728 -12.394 -35.677 1.00 52.23 N ATOM 1674 CA LEU A 105 -12.084 -10.962 -35.773 1.00 15.10 C ATOM 1675 C LEU A 105 -11.198 -10.133 -34.809 1.00 23.42 C ATOM 1676 O LEU A 105 -10.278 -10.677 -34.183 1.00 25.54 O ATOM 1677 CB LEU A 105 -13.618 -10.780 -35.502 1.00 25.11 C ATOM 1678 CG LEU A 105 -14.274 -11.661 -34.369 1.00 14.53 C ATOM 1679 CD1 LEU A 105 -13.761 -11.316 -32.949 1.00 75.32 C ATOM 1680 CD2 LEU A 105 -15.817 -11.576 -34.438 1.00 62.24 C ATOM 0 H LEU A 105 -12.177 -12.866 -34.892 1.00 52.23 H new ATOM 0 HA LEU A 105 -11.890 -10.591 -36.779 1.00 15.10 H new ATOM 0 HB2 LEU A 105 -13.793 -9.733 -35.255 1.00 25.11 H new ATOM 0 HB3 LEU A 105 -14.149 -10.981 -36.432 1.00 25.11 H new ATOM 0 HG LEU A 105 -13.966 -12.689 -34.559 1.00 14.53 H new ATOM 0 HD11 LEU A 105 -14.253 -11.958 -32.218 1.00 75.32 H new ATOM 0 HD12 LEU A 105 -12.683 -11.473 -32.903 1.00 75.32 H new ATOM 0 HD13 LEU A 105 -13.986 -10.273 -32.724 1.00 75.32 H new ATOM 0 HD21 LEU A 105 -16.251 -12.190 -33.649 1.00 62.24 H new ATOM 0 HD22 LEU A 105 -16.131 -10.540 -34.306 1.00 62.24 H new ATOM 0 HD23 LEU A 105 -16.158 -11.937 -35.408 1.00 62.24 H new ATOM 1692 N VAL A 106 -11.452 -8.811 -34.727 1.00 23.13 N ATOM 1693 CA VAL A 106 -10.761 -7.914 -33.776 1.00 65.21 C ATOM 1694 C VAL A 106 -11.716 -7.603 -32.592 1.00 54.23 C ATOM 1695 O VAL A 106 -12.610 -6.760 -32.717 1.00 11.41 O ATOM 1696 CB VAL A 106 -10.282 -6.579 -34.469 1.00 1.55 C ATOM 1697 CG1 VAL A 106 -9.472 -5.694 -33.487 1.00 74.10 C ATOM 1698 CG2 VAL A 106 -9.465 -6.877 -35.751 1.00 62.54 C ATOM 0 H VAL A 106 -12.138 -8.337 -35.314 1.00 23.13 H new ATOM 0 HA VAL A 106 -9.867 -8.418 -33.409 1.00 65.21 H new ATOM 0 HB VAL A 106 -11.172 -6.022 -34.761 1.00 1.55 H new ATOM 0 HG11 VAL A 106 -9.157 -4.782 -33.994 1.00 74.10 H new ATOM 0 HG12 VAL A 106 -10.095 -5.436 -32.631 1.00 74.10 H new ATOM 0 HG13 VAL A 106 -8.594 -6.241 -33.144 1.00 74.10 H new ATOM 0 HG21 VAL A 106 -9.148 -5.939 -36.207 1.00 62.54 H new ATOM 0 HG22 VAL A 106 -8.587 -7.470 -35.493 1.00 62.54 H new ATOM 0 HG23 VAL A 106 -10.084 -7.432 -36.456 1.00 62.54 H new ATOM 1708 N PRO A 107 -11.562 -8.310 -31.428 1.00 72.31 N ATOM 1709 CA PRO A 107 -12.423 -8.132 -30.237 1.00 65.22 C ATOM 1710 C PRO A 107 -11.857 -7.091 -29.244 1.00 65.45 C ATOM 1711 O PRO A 107 -12.180 -7.123 -28.049 1.00 25.11 O ATOM 1712 CB PRO A 107 -12.419 -9.557 -29.653 1.00 1.30 C ATOM 1713 CG PRO A 107 -11.026 -10.057 -29.917 1.00 2.24 C ATOM 1714 CD PRO A 107 -10.536 -9.358 -31.171 1.00 45.41 C ATOM 0 HA PRO A 107 -13.416 -7.743 -30.464 1.00 65.22 H new ATOM 0 HB2 PRO A 107 -12.645 -9.552 -28.587 1.00 1.30 H new ATOM 0 HB3 PRO A 107 -13.167 -10.187 -30.134 1.00 1.30 H new ATOM 0 HG2 PRO A 107 -10.371 -9.839 -29.073 1.00 2.24 H new ATOM 0 HG3 PRO A 107 -11.023 -11.139 -30.052 1.00 2.24 H new ATOM 0 HD2 PRO A 107 -9.548 -8.921 -31.024 1.00 45.41 H new ATOM 0 HD3 PRO A 107 -10.456 -10.051 -32.008 1.00 45.41 H new ATOM 1722 N ARG A 108 -11.024 -6.167 -29.772 1.00 45.41 N ATOM 1723 CA ARG A 108 -10.390 -5.098 -28.989 1.00 40.45 C ATOM 1724 C ARG A 108 -11.441 -4.050 -28.559 1.00 3.25 C ATOM 1725 O ARG A 108 -11.678 -3.044 -29.247 1.00 1.20 O ATOM 1726 CB ARG A 108 -9.244 -4.453 -29.817 1.00 22.11 C ATOM 1727 CG ARG A 108 -8.495 -3.295 -29.119 1.00 25.15 C ATOM 1728 CD ARG A 108 -7.446 -2.628 -30.024 1.00 21.31 C ATOM 1729 NE ARG A 108 -8.037 -2.073 -31.264 1.00 1.04 N ATOM 1730 CZ ARG A 108 -7.753 -2.477 -32.520 1.00 32.54 C ATOM 1731 NH1 ARG A 108 -6.872 -3.454 -32.741 1.00 74.12 N ATOM 1732 NH2 ARG A 108 -8.360 -1.900 -33.550 1.00 71.22 N ATOM 0 H ARG A 108 -10.775 -6.147 -30.761 1.00 45.41 H new ATOM 0 HA ARG A 108 -9.959 -5.519 -28.081 1.00 40.45 H new ATOM 0 HB2 ARG A 108 -8.522 -5.229 -30.073 1.00 22.11 H new ATOM 0 HB3 ARG A 108 -9.659 -4.082 -30.754 1.00 22.11 H new ATOM 0 HG2 ARG A 108 -9.217 -2.545 -28.795 1.00 25.15 H new ATOM 0 HG3 ARG A 108 -8.005 -3.674 -28.222 1.00 25.15 H new ATOM 0 HD2 ARG A 108 -6.950 -1.829 -29.472 1.00 21.31 H new ATOM 0 HD3 ARG A 108 -6.680 -3.358 -30.286 1.00 21.31 H new ATOM 0 HE ARG A 108 -8.717 -1.320 -31.159 1.00 1.04 H new ATOM 0 HH11 ARG A 108 -6.404 -3.906 -31.955 1.00 74.12 H new ATOM 0 HH12 ARG A 108 -6.667 -3.749 -33.695 1.00 74.12 H new ATOM 0 HH21 ARG A 108 -9.038 -1.155 -33.390 1.00 71.22 H new ATOM 0 HH22 ARG A 108 -8.149 -2.202 -34.501 1.00 71.22 H new ATOM 1746 N GLY A 109 -12.114 -4.350 -27.443 1.00 2.32 N ATOM 1747 CA GLY A 109 -13.100 -3.461 -26.851 1.00 53.01 C ATOM 1748 C GLY A 109 -12.843 -3.306 -25.367 1.00 21.44 C ATOM 1749 O GLY A 109 -13.275 -4.146 -24.574 1.00 4.31 O ATOM 0 H GLY A 109 -11.984 -5.221 -26.929 1.00 2.32 H new ATOM 0 HA2 GLY A 109 -13.060 -2.487 -27.338 1.00 53.01 H new ATOM 0 HA3 GLY A 109 -14.102 -3.858 -27.014 1.00 53.01 H new ATOM 1753 N SER A 110 -12.088 -2.255 -25.001 1.00 33.11 N ATOM 1754 CA SER A 110 -11.809 -1.930 -23.599 1.00 64.31 C ATOM 1755 C SER A 110 -13.106 -1.493 -22.888 1.00 64.44 C ATOM 1756 O SER A 110 -13.614 -0.385 -23.117 1.00 63.43 O ATOM 1757 CB SER A 110 -10.730 -0.831 -23.510 1.00 13.04 C ATOM 1758 OG SER A 110 -9.487 -1.277 -24.031 1.00 42.34 O ATOM 0 H SER A 110 -11.658 -1.613 -25.667 1.00 33.11 H new ATOM 0 HA SER A 110 -11.428 -2.819 -23.096 1.00 64.31 H new ATOM 0 HB2 SER A 110 -11.061 0.050 -24.060 1.00 13.04 H new ATOM 0 HB3 SER A 110 -10.602 -0.529 -22.471 1.00 13.04 H new ATOM 0 HG SER A 110 -8.826 -0.557 -23.961 1.00 42.34 H new ATOM 1764 N GLY A 111 -13.653 -2.402 -22.067 1.00 64.21 N ATOM 1765 CA GLY A 111 -14.905 -2.175 -21.341 1.00 73.52 C ATOM 1766 C GLY A 111 -16.020 -3.117 -21.781 1.00 60.01 C ATOM 1767 O GLY A 111 -17.112 -3.086 -21.199 1.00 13.02 O ATOM 0 H GLY A 111 -13.236 -3.316 -21.890 1.00 64.21 H new ATOM 0 HA2 GLY A 111 -14.729 -2.301 -20.273 1.00 73.52 H new ATOM 0 HA3 GLY A 111 -15.226 -1.144 -21.491 1.00 73.52 H new ATOM 1771 N GLY A 112 -15.749 -3.961 -22.807 1.00 15.13 N ATOM 1772 CA GLY A 112 -16.757 -4.886 -23.332 1.00 53.35 C ATOM 1773 C GLY A 112 -16.211 -5.870 -24.368 1.00 64.01 C ATOM 1774 O GLY A 112 -15.919 -5.470 -25.497 1.00 14.23 O ATOM 0 H GLY A 112 -14.845 -4.013 -23.277 1.00 15.13 H new ATOM 0 HA2 GLY A 112 -17.188 -5.447 -22.503 1.00 53.35 H new ATOM 0 HA3 GLY A 112 -17.566 -4.310 -23.782 1.00 53.35 H new ATOM 1778 N ILE A 113 -16.047 -7.157 -23.973 1.00 13.45 N ATOM 1779 CA ILE A 113 -15.730 -8.272 -24.906 1.00 13.45 C ATOM 1780 C ILE A 113 -16.822 -9.353 -24.714 1.00 32.35 C ATOM 1781 O ILE A 113 -16.746 -10.121 -23.758 1.00 12.11 O ATOM 1782 CB ILE A 113 -14.296 -8.942 -24.671 1.00 44.53 C ATOM 1783 CG1 ILE A 113 -13.142 -7.891 -24.486 1.00 75.30 C ATOM 1784 CG2 ILE A 113 -13.956 -9.914 -25.837 1.00 71.14 C ATOM 1785 CD1 ILE A 113 -13.018 -7.320 -23.077 1.00 12.12 C ATOM 0 H ILE A 113 -16.130 -7.453 -23.000 1.00 13.45 H new ATOM 0 HA ILE A 113 -15.705 -7.859 -25.915 1.00 13.45 H new ATOM 0 HB ILE A 113 -14.364 -9.498 -23.736 1.00 44.53 H new ATOM 0 HG12 ILE A 113 -12.196 -8.359 -24.758 1.00 75.30 H new ATOM 0 HG13 ILE A 113 -13.303 -7.069 -25.183 1.00 75.30 H new ATOM 0 HG21 ILE A 113 -12.978 -10.362 -25.663 1.00 71.14 H new ATOM 0 HG22 ILE A 113 -14.711 -10.699 -25.888 1.00 71.14 H new ATOM 0 HG23 ILE A 113 -13.941 -9.363 -26.777 1.00 71.14 H new ATOM 0 HD11 ILE A 113 -12.196 -6.605 -23.045 1.00 12.12 H new ATOM 0 HD12 ILE A 113 -13.947 -6.818 -22.805 1.00 12.12 H new ATOM 0 HD13 ILE A 113 -12.822 -8.129 -22.373 1.00 12.12 H new ATOM 1797 N GLU A 114 -17.815 -9.389 -25.628 1.00 32.32 N ATOM 1798 CA GLU A 114 -19.060 -10.198 -25.482 1.00 35.24 C ATOM 1799 C GLU A 114 -18.801 -11.671 -25.032 1.00 44.14 C ATOM 1800 O GLU A 114 -18.149 -12.455 -25.735 1.00 23.12 O ATOM 1801 CB GLU A 114 -19.880 -10.159 -26.808 1.00 73.21 C ATOM 1802 CG GLU A 114 -19.103 -10.598 -28.072 1.00 1.22 C ATOM 1803 CD GLU A 114 -19.964 -10.582 -29.346 1.00 31.45 C ATOM 1804 OE1 GLU A 114 -20.683 -11.574 -29.611 1.00 73.41 O ATOM 1805 OE2 GLU A 114 -19.934 -9.581 -30.092 1.00 23.34 O ATOM 0 H GLU A 114 -17.782 -8.856 -26.497 1.00 32.32 H new ATOM 0 HA GLU A 114 -19.638 -9.741 -24.679 1.00 35.24 H new ATOM 0 HB2 GLU A 114 -20.754 -10.801 -26.696 1.00 73.21 H new ATOM 0 HB3 GLU A 114 -20.248 -9.144 -26.960 1.00 73.21 H new ATOM 0 HG2 GLU A 114 -18.246 -9.939 -28.212 1.00 1.22 H new ATOM 0 HG3 GLU A 114 -18.710 -11.603 -27.919 1.00 1.22 H new ATOM 1812 N GLY A 115 -19.291 -12.008 -23.825 1.00 14.31 N ATOM 1813 CA GLY A 115 -19.180 -13.350 -23.250 1.00 24.40 C ATOM 1814 C GLY A 115 -18.784 -13.311 -21.783 1.00 45.41 C ATOM 1815 O GLY A 115 -18.730 -12.233 -21.176 1.00 52.41 O ATOM 0 H GLY A 115 -19.778 -11.347 -23.221 1.00 14.31 H new ATOM 0 HA2 GLY A 115 -20.133 -13.869 -23.354 1.00 24.40 H new ATOM 0 HA3 GLY A 115 -18.441 -13.924 -23.810 1.00 24.40 H new ATOM 1819 N SER A 428 -18.510 -14.499 -21.210 1.00 70.42 N ATOM 1820 CA SER A 428 -18.024 -14.635 -19.819 1.00 75.40 C ATOM 1821 C SER A 428 -16.535 -14.240 -19.720 1.00 11.15 C ATOM 1822 O SER A 428 -16.013 -14.032 -18.616 1.00 41.35 O ATOM 1823 CB SER A 428 -18.260 -16.076 -19.300 1.00 52.44 C ATOM 1824 OG SER A 428 -17.937 -16.201 -17.920 1.00 12.14 O ATOM 0 H SER A 428 -18.618 -15.390 -21.695 1.00 70.42 H new ATOM 0 HA SER A 428 -18.591 -13.953 -19.185 1.00 75.40 H new ATOM 0 HB2 SER A 428 -19.303 -16.352 -19.455 1.00 52.44 H new ATOM 0 HB3 SER A 428 -17.656 -16.774 -19.879 1.00 52.44 H new ATOM 0 HG SER A 428 -18.480 -15.574 -17.399 1.00 12.14 H new ATOM 1830 N ILE A 429 -15.864 -14.134 -20.894 1.00 74.24 N ATOM 1831 CA ILE A 429 -14.494 -13.602 -21.002 1.00 55.12 C ATOM 1832 C ILE A 429 -14.451 -12.152 -20.474 1.00 45.41 C ATOM 1833 O ILE A 429 -13.519 -11.788 -19.771 1.00 30.53 O ATOM 1834 CB ILE A 429 -13.937 -13.720 -22.483 1.00 31.02 C ATOM 1835 CG1 ILE A 429 -12.430 -13.253 -22.622 1.00 4.24 C ATOM 1836 CG2 ILE A 429 -14.854 -13.010 -23.510 1.00 63.01 C ATOM 1837 CD1 ILE A 429 -12.183 -11.779 -22.965 1.00 63.20 C ATOM 0 H ILE A 429 -16.263 -14.417 -21.789 1.00 74.24 H new ATOM 0 HA ILE A 429 -13.833 -14.206 -20.381 1.00 55.12 H new ATOM 0 HB ILE A 429 -13.948 -14.784 -22.718 1.00 31.02 H new ATOM 0 HG12 ILE A 429 -11.920 -13.472 -21.684 1.00 4.24 H new ATOM 0 HG13 ILE A 429 -11.957 -13.863 -23.391 1.00 4.24 H new ATOM 0 HG21 ILE A 429 -14.432 -13.117 -24.509 1.00 63.01 H new ATOM 0 HG22 ILE A 429 -15.846 -13.461 -23.484 1.00 63.01 H new ATOM 0 HG23 ILE A 429 -14.929 -11.952 -23.260 1.00 63.01 H new ATOM 0 HD11 ILE A 429 -11.111 -11.595 -23.030 1.00 63.20 H new ATOM 0 HD12 ILE A 429 -12.650 -11.545 -23.922 1.00 63.20 H new ATOM 0 HD13 ILE A 429 -12.613 -11.148 -22.187 1.00 63.20 H new ATOM 1849 N ASP A 430 -15.500 -11.360 -20.786 1.00 53.44 N ATOM 1850 CA ASP A 430 -15.668 -9.983 -20.270 1.00 73.52 C ATOM 1851 C ASP A 430 -15.670 -9.957 -18.735 1.00 2.25 C ATOM 1852 O ASP A 430 -15.080 -9.067 -18.124 1.00 20.34 O ATOM 1853 CB ASP A 430 -16.995 -9.383 -20.788 1.00 54.13 C ATOM 1854 CG ASP A 430 -17.267 -7.958 -20.282 1.00 42.22 C ATOM 1855 OD1 ASP A 430 -16.697 -7.002 -20.847 1.00 64.33 O ATOM 1856 OD2 ASP A 430 -18.065 -7.783 -19.327 1.00 42.00 O ATOM 0 H ASP A 430 -16.255 -11.658 -21.404 1.00 53.44 H new ATOM 0 HA ASP A 430 -14.826 -9.390 -20.627 1.00 73.52 H new ATOM 0 HB2 ASP A 430 -16.979 -9.375 -21.878 1.00 54.13 H new ATOM 0 HB3 ASP A 430 -17.819 -10.030 -20.486 1.00 54.13 H new ATOM 1861 N GLU A 431 -16.349 -10.956 -18.141 1.00 53.52 N ATOM 1862 CA GLU A 431 -16.529 -11.061 -16.689 1.00 31.32 C ATOM 1863 C GLU A 431 -15.201 -11.357 -15.991 1.00 13.53 C ATOM 1864 O GLU A 431 -14.821 -10.630 -15.076 1.00 63.25 O ATOM 1865 CB GLU A 431 -17.577 -12.147 -16.348 1.00 2.24 C ATOM 1866 CG GLU A 431 -18.974 -11.880 -16.934 1.00 24.41 C ATOM 1867 CD GLU A 431 -20.004 -12.930 -16.497 1.00 41.12 C ATOM 1868 OE1 GLU A 431 -19.880 -14.094 -16.929 1.00 41.04 O ATOM 1869 OE2 GLU A 431 -20.931 -12.605 -15.720 1.00 35.13 O ATOM 0 H GLU A 431 -16.789 -11.715 -18.662 1.00 53.52 H new ATOM 0 HA GLU A 431 -16.895 -10.101 -16.324 1.00 31.32 H new ATOM 0 HB2 GLU A 431 -17.219 -13.109 -16.714 1.00 2.24 H new ATOM 0 HB3 GLU A 431 -17.659 -12.229 -15.264 1.00 2.24 H new ATOM 0 HG2 GLU A 431 -19.313 -10.892 -16.623 1.00 24.41 H new ATOM 0 HG3 GLU A 431 -18.912 -11.867 -18.022 1.00 24.41 H new ATOM 1876 N THR A 432 -14.485 -12.408 -16.445 1.00 33.11 N ATOM 1877 CA THR A 432 -13.209 -12.811 -15.823 1.00 13.22 C ATOM 1878 C THR A 432 -12.123 -11.731 -16.036 1.00 31.23 C ATOM 1879 O THR A 432 -11.304 -11.485 -15.152 1.00 1.43 O ATOM 1880 CB THR A 432 -12.712 -14.216 -16.314 1.00 24.11 C ATOM 1881 OG1 THR A 432 -11.575 -14.625 -15.540 1.00 11.02 O ATOM 1882 CG2 THR A 432 -12.341 -14.238 -17.809 1.00 24.12 C ATOM 0 H THR A 432 -14.768 -12.988 -17.235 1.00 33.11 H new ATOM 0 HA THR A 432 -13.398 -12.904 -14.754 1.00 13.22 H new ATOM 0 HB THR A 432 -13.543 -14.908 -16.177 1.00 24.11 H new ATOM 0 HG1 THR A 432 -11.268 -15.503 -15.848 1.00 11.02 H new ATOM 0 HG21 THR A 432 -12.005 -15.237 -18.086 1.00 24.12 H new ATOM 0 HG22 THR A 432 -13.214 -13.971 -18.404 1.00 24.12 H new ATOM 0 HG23 THR A 432 -11.541 -13.522 -17.996 1.00 24.12 H new ATOM 1890 N VAL A 433 -12.161 -11.056 -17.205 1.00 34.42 N ATOM 1891 CA VAL A 433 -11.288 -9.904 -17.484 1.00 14.31 C ATOM 1892 C VAL A 433 -11.618 -8.748 -16.535 1.00 63.10 C ATOM 1893 O VAL A 433 -10.717 -8.128 -16.017 1.00 13.41 O ATOM 1894 CB VAL A 433 -11.386 -9.445 -18.994 1.00 52.03 C ATOM 1895 CG1 VAL A 433 -10.794 -8.030 -19.234 1.00 34.20 C ATOM 1896 CG2 VAL A 433 -10.696 -10.486 -19.906 1.00 14.42 C ATOM 0 H VAL A 433 -12.791 -11.293 -17.971 1.00 34.42 H new ATOM 0 HA VAL A 433 -10.258 -10.215 -17.311 1.00 14.31 H new ATOM 0 HB VAL A 433 -12.445 -9.383 -19.245 1.00 52.03 H new ATOM 0 HG11 VAL A 433 -10.890 -7.770 -20.288 1.00 34.20 H new ATOM 0 HG12 VAL A 433 -11.335 -7.302 -18.630 1.00 34.20 H new ATOM 0 HG13 VAL A 433 -9.741 -8.024 -18.953 1.00 34.20 H new ATOM 0 HG21 VAL A 433 -10.767 -10.164 -20.945 1.00 14.42 H new ATOM 0 HG22 VAL A 433 -9.647 -10.577 -19.625 1.00 14.42 H new ATOM 0 HG23 VAL A 433 -11.187 -11.452 -19.792 1.00 14.42 H new ATOM 1906 N ALA A 434 -12.915 -8.512 -16.289 1.00 23.15 N ATOM 1907 CA ALA A 434 -13.384 -7.450 -15.377 1.00 71.05 C ATOM 1908 C ALA A 434 -12.905 -7.685 -13.929 1.00 61.54 C ATOM 1909 O ALA A 434 -12.487 -6.740 -13.254 1.00 1.44 O ATOM 1910 CB ALA A 434 -14.917 -7.345 -15.425 1.00 21.15 C ATOM 0 H ALA A 434 -13.670 -9.050 -16.715 1.00 23.15 H new ATOM 0 HA ALA A 434 -12.952 -6.509 -15.716 1.00 71.05 H new ATOM 0 HB1 ALA A 434 -15.249 -6.558 -14.748 1.00 21.15 H new ATOM 0 HB2 ALA A 434 -15.234 -7.107 -16.441 1.00 21.15 H new ATOM 0 HB3 ALA A 434 -15.356 -8.295 -15.121 1.00 21.15 H new ATOM 1916 N ARG A 435 -12.954 -8.958 -13.477 1.00 15.52 N ATOM 1917 CA ARG A 435 -12.569 -9.338 -12.100 1.00 3.02 C ATOM 1918 C ARG A 435 -11.057 -9.171 -11.902 1.00 32.11 C ATOM 1919 O ARG A 435 -10.610 -8.525 -10.956 1.00 50.33 O ATOM 1920 CB ARG A 435 -12.979 -10.807 -11.784 1.00 64.41 C ATOM 1921 CG ARG A 435 -14.474 -11.128 -12.000 1.00 62.33 C ATOM 1922 CD ARG A 435 -15.429 -10.196 -11.231 1.00 14.24 C ATOM 1923 NE ARG A 435 -16.827 -10.361 -11.665 1.00 43.52 N ATOM 1924 CZ ARG A 435 -17.814 -9.475 -11.436 1.00 43.12 C ATOM 1925 NH1 ARG A 435 -17.587 -8.341 -10.771 1.00 35.25 N ATOM 1926 NH2 ARG A 435 -19.027 -9.719 -11.896 1.00 32.02 N ATOM 0 H ARG A 435 -13.259 -9.744 -14.051 1.00 15.52 H new ATOM 0 HA ARG A 435 -13.098 -8.677 -11.414 1.00 3.02 H new ATOM 0 HB2 ARG A 435 -12.385 -11.476 -12.407 1.00 64.41 H new ATOM 0 HB3 ARG A 435 -12.722 -11.025 -10.747 1.00 64.41 H new ATOM 0 HG2 ARG A 435 -14.699 -11.065 -13.065 1.00 62.33 H new ATOM 0 HG3 ARG A 435 -14.662 -12.157 -11.695 1.00 62.33 H new ATOM 0 HD2 ARG A 435 -15.354 -10.401 -10.163 1.00 14.24 H new ATOM 0 HD3 ARG A 435 -15.123 -9.160 -11.379 1.00 14.24 H new ATOM 0 HE ARG A 435 -17.065 -11.210 -12.177 1.00 43.52 H new ATOM 0 HH11 ARG A 435 -16.651 -8.131 -10.425 1.00 35.25 H new ATOM 0 HH12 ARG A 435 -18.350 -7.684 -10.609 1.00 35.25 H new ATOM 0 HH21 ARG A 435 -19.211 -10.574 -12.421 1.00 32.02 H new ATOM 0 HH22 ARG A 435 -19.780 -9.052 -11.727 1.00 32.02 H new ATOM 1940 N TYR A 436 -10.288 -9.750 -12.836 1.00 24.34 N ATOM 1941 CA TYR A 436 -8.817 -9.738 -12.796 1.00 42.41 C ATOM 1942 C TYR A 436 -8.247 -8.340 -13.097 1.00 53.32 C ATOM 1943 O TYR A 436 -7.176 -8.011 -12.610 1.00 24.01 O ATOM 1944 CB TYR A 436 -8.245 -10.804 -13.769 1.00 64.55 C ATOM 1945 CG TYR A 436 -8.365 -12.248 -13.250 1.00 1.11 C ATOM 1946 CD1 TYR A 436 -7.231 -13.013 -12.963 1.00 63.13 C ATOM 1947 CD2 TYR A 436 -9.613 -12.848 -13.042 1.00 32.11 C ATOM 1948 CE1 TYR A 436 -7.342 -14.308 -12.492 1.00 15.31 C ATOM 1949 CE2 TYR A 436 -9.725 -14.139 -12.571 1.00 41.12 C ATOM 1950 CZ TYR A 436 -8.590 -14.866 -12.299 1.00 40.14 C ATOM 1951 OH TYR A 436 -8.701 -16.157 -11.814 1.00 40.12 O ATOM 0 H TYR A 436 -10.670 -10.242 -13.644 1.00 24.34 H new ATOM 0 HA TYR A 436 -8.506 -9.992 -11.783 1.00 42.41 H new ATOM 0 HB2 TYR A 436 -8.765 -10.727 -14.724 1.00 64.55 H new ATOM 0 HB3 TYR A 436 -7.195 -10.582 -13.959 1.00 64.55 H new ATOM 0 HD1 TYR A 436 -6.251 -12.585 -13.112 1.00 63.13 H new ATOM 0 HD2 TYR A 436 -10.510 -12.286 -13.256 1.00 32.11 H new ATOM 0 HE1 TYR A 436 -6.454 -14.882 -12.275 1.00 15.31 H new ATOM 0 HE2 TYR A 436 -10.700 -14.577 -12.416 1.00 41.12 H new ATOM 0 HH TYR A 436 -9.648 -16.397 -11.736 1.00 40.12 H new ATOM 1961 N LYS A 437 -8.974 -7.535 -13.899 1.00 62.43 N ATOM 1962 CA LYS A 437 -8.608 -6.123 -14.177 1.00 74.15 C ATOM 1963 C LYS A 437 -8.780 -5.296 -12.909 1.00 51.53 C ATOM 1964 O LYS A 437 -7.929 -4.470 -12.585 1.00 64.43 O ATOM 1965 CB LYS A 437 -9.483 -5.518 -15.315 1.00 71.10 C ATOM 1966 CG LYS A 437 -9.283 -4.004 -15.573 1.00 43.53 C ATOM 1967 CD LYS A 437 -10.266 -3.438 -16.626 1.00 40.24 C ATOM 1968 CE LYS A 437 -10.119 -1.918 -16.816 1.00 14.45 C ATOM 1969 NZ LYS A 437 -8.787 -1.533 -17.351 1.00 71.01 N ATOM 0 H LYS A 437 -9.826 -7.839 -14.371 1.00 62.43 H new ATOM 0 HA LYS A 437 -7.568 -6.101 -14.503 1.00 74.15 H new ATOM 0 HB2 LYS A 437 -9.272 -6.058 -16.238 1.00 71.10 H new ATOM 0 HB3 LYS A 437 -10.532 -5.693 -15.076 1.00 71.10 H new ATOM 0 HG2 LYS A 437 -9.409 -3.461 -14.636 1.00 43.53 H new ATOM 0 HG3 LYS A 437 -8.260 -3.829 -15.907 1.00 43.53 H new ATOM 0 HD2 LYS A 437 -10.098 -3.938 -17.580 1.00 40.24 H new ATOM 0 HD3 LYS A 437 -11.288 -3.665 -16.323 1.00 40.24 H new ATOM 0 HE2 LYS A 437 -10.895 -1.564 -17.495 1.00 14.45 H new ATOM 0 HE3 LYS A 437 -10.280 -1.419 -15.860 1.00 14.45 H new ATOM 0 HZ1 LYS A 437 -8.748 -0.501 -17.475 1.00 71.01 H new ATOM 0 HZ2 LYS A 437 -8.046 -1.830 -16.684 1.00 71.01 H new ATOM 0 HZ3 LYS A 437 -8.634 -1.998 -18.268 1.00 71.01 H new ATOM 1983 N ALA A 438 -9.901 -5.534 -12.203 1.00 13.51 N ATOM 1984 CA ALA A 438 -10.204 -4.850 -10.945 1.00 10.11 C ATOM 1985 C ALA A 438 -9.118 -5.158 -9.908 1.00 60.22 C ATOM 1986 O ALA A 438 -8.438 -4.254 -9.442 1.00 3.44 O ATOM 1987 CB ALA A 438 -11.596 -5.247 -10.437 1.00 1.11 C ATOM 0 H ALA A 438 -10.615 -6.203 -12.492 1.00 13.51 H new ATOM 0 HA ALA A 438 -10.213 -3.774 -11.117 1.00 10.11 H new ATOM 0 HB1 ALA A 438 -11.803 -4.728 -9.501 1.00 1.11 H new ATOM 0 HB2 ALA A 438 -12.346 -4.971 -11.178 1.00 1.11 H new ATOM 0 HB3 ALA A 438 -11.629 -6.324 -10.270 1.00 1.11 H new ATOM 1993 N GLN A 439 -8.919 -6.458 -9.622 1.00 73.13 N ATOM 1994 CA GLN A 439 -7.928 -6.926 -8.634 1.00 44.54 C ATOM 1995 C GLN A 439 -6.502 -6.432 -8.976 1.00 54.32 C ATOM 1996 O GLN A 439 -5.789 -5.930 -8.100 1.00 20.30 O ATOM 1997 CB GLN A 439 -7.959 -8.476 -8.546 1.00 72.24 C ATOM 1998 CG GLN A 439 -9.297 -9.068 -8.056 1.00 1.04 C ATOM 1999 CD GLN A 439 -9.652 -8.683 -6.617 1.00 34.41 C ATOM 2000 OE1 GLN A 439 -9.296 -9.379 -5.678 1.00 73.41 O ATOM 2001 NE2 GLN A 439 -10.371 -7.584 -6.434 1.00 32.22 N ATOM 0 H GLN A 439 -9.440 -7.213 -10.068 1.00 73.13 H new ATOM 0 HA GLN A 439 -8.195 -6.505 -7.665 1.00 44.54 H new ATOM 0 HB2 GLN A 439 -7.735 -8.887 -9.530 1.00 72.24 H new ATOM 0 HB3 GLN A 439 -7.165 -8.804 -7.875 1.00 72.24 H new ATOM 0 HG2 GLN A 439 -10.096 -8.735 -8.719 1.00 1.04 H new ATOM 0 HG3 GLN A 439 -9.252 -10.154 -8.131 1.00 1.04 H new ATOM 0 HE21 GLN A 439 -10.655 -7.021 -7.236 1.00 32.22 H new ATOM 0 HE22 GLN A 439 -10.640 -7.302 -5.492 1.00 32.22 H new ATOM 2010 N PHE A 440 -6.122 -6.538 -10.266 1.00 61.25 N ATOM 2011 CA PHE A 440 -4.792 -6.119 -10.742 1.00 55.44 C ATOM 2012 C PHE A 440 -4.592 -4.606 -10.539 1.00 13.42 C ATOM 2013 O PHE A 440 -3.746 -4.202 -9.754 1.00 52.23 O ATOM 2014 CB PHE A 440 -4.578 -6.505 -12.232 1.00 34.55 C ATOM 2015 CG PHE A 440 -3.239 -6.060 -12.811 1.00 43.12 C ATOM 2016 CD1 PHE A 440 -2.070 -6.755 -12.511 1.00 3.53 C ATOM 2017 CD2 PHE A 440 -3.141 -4.932 -13.636 1.00 10.53 C ATOM 2018 CE1 PHE A 440 -0.852 -6.340 -13.010 1.00 71.32 C ATOM 2019 CE2 PHE A 440 -1.922 -4.525 -14.137 1.00 2.44 C ATOM 2020 CZ PHE A 440 -0.777 -5.228 -13.822 1.00 63.22 C ATOM 0 H PHE A 440 -6.724 -6.913 -10.999 1.00 61.25 H new ATOM 0 HA PHE A 440 -4.045 -6.648 -10.150 1.00 55.44 H new ATOM 0 HB2 PHE A 440 -4.661 -7.587 -12.330 1.00 34.55 H new ATOM 0 HB3 PHE A 440 -5.380 -6.069 -12.827 1.00 34.55 H new ATOM 0 HD1 PHE A 440 -2.117 -7.630 -11.880 1.00 3.53 H new ATOM 0 HD2 PHE A 440 -4.032 -4.374 -13.883 1.00 10.53 H new ATOM 0 HE1 PHE A 440 0.045 -6.888 -12.764 1.00 71.32 H new ATOM 0 HE2 PHE A 440 -1.864 -3.656 -14.776 1.00 2.44 H new ATOM 0 HZ PHE A 440 0.178 -4.907 -14.211 1.00 63.22 H new ATOM 2030 N THR A 441 -5.431 -3.793 -11.215 1.00 73.20 N ATOM 2031 CA THR A 441 -5.273 -2.324 -11.290 1.00 41.54 C ATOM 2032 C THR A 441 -5.407 -1.645 -9.904 1.00 34.34 C ATOM 2033 O THR A 441 -4.727 -0.655 -9.629 1.00 41.44 O ATOM 2034 CB THR A 441 -6.310 -1.724 -12.303 1.00 13.23 C ATOM 2035 OG1 THR A 441 -6.179 -2.397 -13.571 1.00 45.32 O ATOM 2036 CG2 THR A 441 -6.125 -0.210 -12.524 1.00 23.50 C ATOM 0 H THR A 441 -6.242 -4.139 -11.727 1.00 73.20 H new ATOM 0 HA THR A 441 -4.263 -2.120 -11.644 1.00 41.54 H new ATOM 0 HB THR A 441 -7.301 -1.875 -11.874 1.00 13.23 H new ATOM 0 HG1 THR A 441 -6.694 -3.231 -13.553 1.00 45.32 H new ATOM 0 HG21 THR A 441 -6.871 0.148 -13.234 1.00 23.50 H new ATOM 0 HG22 THR A 441 -6.246 0.314 -11.576 1.00 23.50 H new ATOM 0 HG23 THR A 441 -5.127 -0.019 -12.919 1.00 23.50 H new ATOM 2044 N GLN A 442 -6.272 -2.206 -9.041 1.00 24.20 N ATOM 2045 CA GLN A 442 -6.483 -1.711 -7.660 1.00 35.51 C ATOM 2046 C GLN A 442 -5.254 -1.981 -6.771 1.00 31.11 C ATOM 2047 O GLN A 442 -4.798 -1.089 -6.054 1.00 33.24 O ATOM 2048 CB GLN A 442 -7.761 -2.336 -7.046 1.00 22.31 C ATOM 2049 CG GLN A 442 -9.083 -1.807 -7.651 1.00 30.42 C ATOM 2050 CD GLN A 442 -10.335 -2.580 -7.213 1.00 23.23 C ATOM 2051 OE1 GLN A 442 -10.218 -3.895 -7.035 1.00 33.50 O flip ATOM 2052 NE2 GLN A 442 -11.417 -2.010 -7.077 1.00 23.34 N flip ATOM 0 H GLN A 442 -6.847 -3.015 -9.277 1.00 24.20 H new ATOM 0 HA GLN A 442 -6.619 -0.631 -7.709 1.00 35.51 H new ATOM 0 HB2 GLN A 442 -7.722 -3.417 -7.178 1.00 22.31 H new ATOM 0 HB3 GLN A 442 -7.765 -2.146 -5.973 1.00 22.31 H new ATOM 0 HG2 GLN A 442 -9.202 -0.760 -7.373 1.00 30.42 H new ATOM 0 HG3 GLN A 442 -9.011 -1.842 -8.738 1.00 30.42 H new ATOM 0 HE21 GLN A 442 -11.484 -1.002 -7.218 1.00 23.34 H new ATOM 0 HE22 GLN A 442 -12.247 -2.545 -6.823 1.00 23.34 H new ATOM 2061 N LEU A 443 -4.710 -3.211 -6.837 1.00 70.15 N ATOM 2062 CA LEU A 443 -3.473 -3.575 -6.099 1.00 12.41 C ATOM 2063 C LEU A 443 -2.221 -2.937 -6.764 1.00 11.12 C ATOM 2064 O LEU A 443 -1.175 -2.815 -6.123 1.00 63.03 O ATOM 2065 CB LEU A 443 -3.315 -5.126 -6.005 1.00 75.42 C ATOM 2066 CG LEU A 443 -4.121 -5.896 -4.895 1.00 63.43 C ATOM 2067 CD1 LEU A 443 -5.644 -5.656 -4.959 1.00 32.43 C ATOM 2068 CD2 LEU A 443 -3.807 -7.412 -4.969 1.00 42.31 C ATOM 0 H LEU A 443 -5.103 -3.972 -7.391 1.00 70.15 H new ATOM 0 HA LEU A 443 -3.560 -3.180 -5.087 1.00 12.41 H new ATOM 0 HB2 LEU A 443 -3.595 -5.547 -6.971 1.00 75.42 H new ATOM 0 HB3 LEU A 443 -2.257 -5.343 -5.858 1.00 75.42 H new ATOM 0 HG LEU A 443 -3.793 -5.494 -3.936 1.00 63.43 H new ATOM 0 HD11 LEU A 443 -6.135 -6.218 -4.164 1.00 32.43 H new ATOM 0 HD12 LEU A 443 -5.850 -4.593 -4.833 1.00 32.43 H new ATOM 0 HD13 LEU A 443 -6.024 -5.987 -5.925 1.00 32.43 H new ATOM 0 HD21 LEU A 443 -4.369 -7.938 -4.197 1.00 42.31 H new ATOM 0 HD22 LEU A 443 -4.091 -7.795 -5.949 1.00 42.31 H new ATOM 0 HD23 LEU A 443 -2.740 -7.571 -4.813 1.00 42.31 H new ATOM 2080 N ASP A 444 -2.349 -2.553 -8.050 1.00 61.45 N ATOM 2081 CA ASP A 444 -1.258 -1.953 -8.856 1.00 64.34 C ATOM 2082 C ASP A 444 -1.093 -0.464 -8.531 1.00 73.01 C ATOM 2083 O ASP A 444 0.034 0.030 -8.403 1.00 61.31 O ATOM 2084 CB ASP A 444 -1.544 -2.147 -10.368 1.00 22.25 C ATOM 2085 CG ASP A 444 -0.525 -1.452 -11.288 1.00 35.53 C ATOM 2086 OD1 ASP A 444 -0.804 -0.327 -11.769 1.00 74.14 O ATOM 2087 OD2 ASP A 444 0.564 -2.016 -11.530 1.00 24.12 O ATOM 0 H ASP A 444 -3.222 -2.651 -8.568 1.00 61.45 H new ATOM 0 HA ASP A 444 -0.326 -2.460 -8.604 1.00 64.34 H new ATOM 0 HB2 ASP A 444 -1.553 -3.214 -10.592 1.00 22.25 H new ATOM 0 HB3 ASP A 444 -2.540 -1.766 -10.591 1.00 22.25 H new ATOM 2092 N THR A 445 -2.229 0.251 -8.423 1.00 0.23 N ATOM 2093 CA THR A 445 -2.233 1.658 -8.014 1.00 42.10 C ATOM 2094 C THR A 445 -1.832 1.744 -6.530 1.00 1.32 C ATOM 2095 O THR A 445 -1.103 2.656 -6.140 1.00 64.40 O ATOM 2096 CB THR A 445 -3.605 2.374 -8.287 1.00 10.52 C ATOM 2097 OG1 THR A 445 -3.492 3.782 -8.011 1.00 2.40 O ATOM 2098 CG2 THR A 445 -4.767 1.794 -7.465 1.00 2.15 C ATOM 0 H THR A 445 -3.156 -0.129 -8.615 1.00 0.23 H new ATOM 0 HA THR A 445 -1.505 2.193 -8.624 1.00 42.10 H new ATOM 0 HB THR A 445 -3.834 2.204 -9.339 1.00 10.52 H new ATOM 0 HG1 THR A 445 -4.351 4.220 -8.186 1.00 2.40 H new ATOM 0 HG21 THR A 445 -5.684 2.333 -7.701 1.00 2.15 H new ATOM 0 HG22 THR A 445 -4.893 0.739 -7.708 1.00 2.15 H new ATOM 0 HG23 THR A 445 -4.548 1.898 -6.402 1.00 2.15 H new ATOM 2106 N MET A 446 -2.267 0.731 -5.727 1.00 50.31 N ATOM 2107 CA MET A 446 -1.833 0.580 -4.332 1.00 12.02 C ATOM 2108 C MET A 446 -0.312 0.402 -4.276 1.00 54.22 C ATOM 2109 O MET A 446 0.343 1.028 -3.457 1.00 42.00 O ATOM 2110 CB MET A 446 -2.521 -0.627 -3.629 1.00 3.12 C ATOM 2111 CG MET A 446 -2.200 -0.718 -2.129 1.00 72.04 C ATOM 2112 SD MET A 446 -2.954 -2.130 -1.301 1.00 4.00 S ATOM 2113 CE MET A 446 -2.424 -1.842 0.393 1.00 22.23 C ATOM 0 H MET A 446 -2.920 0.011 -6.036 1.00 50.31 H new ATOM 0 HA MET A 446 -2.126 1.486 -3.801 1.00 12.02 H new ATOM 0 HB2 MET A 446 -3.600 -0.548 -3.759 1.00 3.12 H new ATOM 0 HB3 MET A 446 -2.208 -1.550 -4.117 1.00 3.12 H new ATOM 0 HG2 MET A 446 -1.119 -0.771 -2.002 1.00 72.04 H new ATOM 0 HG3 MET A 446 -2.534 0.197 -1.640 1.00 72.04 H new ATOM 0 HE1 MET A 446 -1.743 -2.635 0.701 1.00 22.23 H new ATOM 0 HE2 MET A 446 -1.914 -0.881 0.456 1.00 22.23 H new ATOM 0 HE3 MET A 446 -3.294 -1.836 1.050 1.00 22.23 H new ATOM 2123 N MET A 447 0.222 -0.448 -5.187 1.00 11.42 N ATOM 2124 CA MET A 447 1.661 -0.771 -5.256 1.00 14.40 C ATOM 2125 C MET A 447 2.517 0.454 -5.563 1.00 12.23 C ATOM 2126 O MET A 447 3.469 0.732 -4.841 1.00 74.33 O ATOM 2127 CB MET A 447 1.955 -1.878 -6.298 1.00 44.42 C ATOM 2128 CG MET A 447 3.454 -2.057 -6.619 1.00 65.12 C ATOM 2129 SD MET A 447 3.797 -3.550 -7.541 1.00 73.31 S ATOM 2130 CE MET A 447 3.498 -4.748 -6.262 1.00 11.14 C ATOM 0 H MET A 447 -0.337 -0.927 -5.893 1.00 11.42 H new ATOM 0 HA MET A 447 1.929 -1.138 -4.265 1.00 14.40 H new ATOM 0 HB2 MET A 447 1.558 -2.824 -5.930 1.00 44.42 H new ATOM 0 HB3 MET A 447 1.422 -1.646 -7.220 1.00 44.42 H new ATOM 0 HG2 MET A 447 3.803 -1.196 -7.189 1.00 65.12 H new ATOM 0 HG3 MET A 447 4.020 -2.073 -5.688 1.00 65.12 H new ATOM 0 HE1 MET A 447 4.405 -5.326 -6.085 1.00 11.14 H new ATOM 0 HE2 MET A 447 3.209 -4.236 -5.344 1.00 11.14 H new ATOM 0 HE3 MET A 447 2.696 -5.418 -6.571 1.00 11.14 H new ATOM 2140 N SER A 448 2.185 1.157 -6.654 1.00 71.34 N ATOM 2141 CA SER A 448 2.952 2.319 -7.121 1.00 10.32 C ATOM 2142 C SER A 448 2.986 3.425 -6.048 1.00 32.21 C ATOM 2143 O SER A 448 4.029 4.073 -5.830 1.00 12.51 O ATOM 2144 CB SER A 448 2.345 2.831 -8.436 1.00 43.13 C ATOM 2145 OG SER A 448 0.951 3.033 -8.303 1.00 10.52 O ATOM 0 H SER A 448 1.378 0.936 -7.237 1.00 71.34 H new ATOM 0 HA SER A 448 3.984 2.020 -7.303 1.00 10.32 H new ATOM 0 HB2 SER A 448 2.826 3.766 -8.724 1.00 43.13 H new ATOM 0 HB3 SER A 448 2.538 2.114 -9.234 1.00 43.13 H new ATOM 0 HG SER A 448 0.585 3.360 -9.151 1.00 10.52 H new ATOM 2151 N LYS A 449 1.843 3.598 -5.353 1.00 12.44 N ATOM 2152 CA LYS A 449 1.748 4.519 -4.218 1.00 4.14 C ATOM 2153 C LYS A 449 2.604 4.026 -3.041 1.00 63.10 C ATOM 2154 O LYS A 449 3.427 4.781 -2.541 1.00 3.30 O ATOM 2155 CB LYS A 449 0.275 4.730 -3.782 1.00 50.02 C ATOM 2156 CG LYS A 449 -0.596 5.416 -4.855 1.00 34.32 C ATOM 2157 CD LYS A 449 -2.038 5.701 -4.380 1.00 74.24 C ATOM 2158 CE LYS A 449 -2.100 6.774 -3.282 1.00 33.05 C ATOM 2159 NZ LYS A 449 -3.494 7.040 -2.834 1.00 52.41 N ATOM 0 H LYS A 449 0.974 3.107 -5.564 1.00 12.44 H new ATOM 0 HA LYS A 449 2.137 5.484 -4.541 1.00 4.14 H new ATOM 0 HB2 LYS A 449 -0.163 3.763 -3.534 1.00 50.02 H new ATOM 0 HB3 LYS A 449 0.257 5.331 -2.873 1.00 50.02 H new ATOM 0 HG2 LYS A 449 -0.126 6.354 -5.150 1.00 34.32 H new ATOM 0 HG3 LYS A 449 -0.631 4.785 -5.743 1.00 34.32 H new ATOM 0 HD2 LYS A 449 -2.639 6.022 -5.230 1.00 74.24 H new ATOM 0 HD3 LYS A 449 -2.482 4.778 -4.006 1.00 74.24 H new ATOM 0 HE2 LYS A 449 -1.501 6.454 -2.429 1.00 33.05 H new ATOM 0 HE3 LYS A 449 -1.657 7.698 -3.654 1.00 33.05 H new ATOM 0 HZ1 LYS A 449 -3.480 7.694 -2.025 1.00 52.41 H new ATOM 0 HZ2 LYS A 449 -4.034 7.466 -3.614 1.00 52.41 H new ATOM 0 HZ3 LYS A 449 -3.944 6.146 -2.549 1.00 52.41 H new ATOM 2173 N LEU A 450 2.452 2.734 -2.655 1.00 61.10 N ATOM 2174 CA LEU A 450 3.135 2.178 -1.462 1.00 73.41 C ATOM 2175 C LEU A 450 4.653 2.040 -1.692 1.00 12.34 C ATOM 2176 O LEU A 450 5.423 1.946 -0.740 1.00 74.03 O ATOM 2177 CB LEU A 450 2.469 0.843 -0.957 1.00 23.32 C ATOM 2178 CG LEU A 450 2.637 -0.496 -1.776 1.00 3.02 C ATOM 2179 CD1 LEU A 450 4.019 -1.175 -1.595 1.00 20.01 C ATOM 2180 CD2 LEU A 450 1.505 -1.493 -1.434 1.00 61.05 C ATOM 0 H LEU A 450 1.866 2.062 -3.150 1.00 61.10 H new ATOM 0 HA LEU A 450 3.006 2.897 -0.653 1.00 73.41 H new ATOM 0 HB2 LEU A 450 2.847 0.655 0.048 1.00 23.32 H new ATOM 0 HB3 LEU A 450 1.399 1.032 -0.865 1.00 23.32 H new ATOM 0 HG LEU A 450 2.572 -0.209 -2.826 1.00 3.02 H new ATOM 0 HD11 LEU A 450 4.056 -2.088 -2.189 1.00 20.01 H new ATOM 0 HD12 LEU A 450 4.804 -0.495 -1.925 1.00 20.01 H new ATOM 0 HD13 LEU A 450 4.169 -1.420 -0.544 1.00 20.01 H new ATOM 0 HD21 LEU A 450 1.640 -2.409 -2.010 1.00 61.05 H new ATOM 0 HD22 LEU A 450 1.534 -1.726 -0.370 1.00 61.05 H new ATOM 0 HD23 LEU A 450 0.541 -1.048 -1.681 1.00 61.05 H new ATOM 2192 N ASN A 451 5.058 2.036 -2.972 1.00 52.22 N ATOM 2193 CA ASN A 451 6.469 1.996 -3.382 1.00 71.44 C ATOM 2194 C ASN A 451 7.099 3.377 -3.156 1.00 64.52 C ATOM 2195 O ASN A 451 8.167 3.499 -2.539 1.00 72.04 O ATOM 2196 CB ASN A 451 6.593 1.582 -4.873 1.00 1.25 C ATOM 2197 CG ASN A 451 8.043 1.357 -5.320 1.00 23.52 C ATOM 2198 OD1 ASN A 451 8.545 0.240 -5.278 1.00 62.30 O ATOM 2199 ND2 ASN A 451 8.734 2.414 -5.714 1.00 71.31 N ATOM 0 H ASN A 451 4.408 2.061 -3.758 1.00 52.22 H new ATOM 0 HA ASN A 451 6.996 1.254 -2.782 1.00 71.44 H new ATOM 0 HB2 ASN A 451 6.023 0.668 -5.038 1.00 1.25 H new ATOM 0 HB3 ASN A 451 6.143 2.355 -5.496 1.00 1.25 H new ATOM 0 HD21 ASN A 451 9.710 2.311 -5.992 1.00 71.31 H new ATOM 0 HD22 ASN A 451 8.291 3.332 -5.739 1.00 71.31 H new ATOM 2206 N ASN A 452 6.406 4.418 -3.677 1.00 22.00 N ATOM 2207 CA ASN A 452 6.822 5.825 -3.525 1.00 12.32 C ATOM 2208 C ASN A 452 6.838 6.226 -2.043 1.00 23.33 C ATOM 2209 O ASN A 452 7.768 6.909 -1.585 1.00 41.01 O ATOM 2210 CB ASN A 452 5.874 6.771 -4.309 1.00 22.13 C ATOM 2211 CG ASN A 452 6.294 8.251 -4.241 1.00 73.22 C ATOM 2212 OD1 ASN A 452 7.482 8.583 -4.278 1.00 42.31 O ATOM 2213 ND2 ASN A 452 5.331 9.145 -4.096 1.00 41.42 N ATOM 0 H ASN A 452 5.546 4.302 -4.212 1.00 22.00 H new ATOM 0 HA ASN A 452 7.829 5.920 -3.932 1.00 12.32 H new ATOM 0 HB2 ASN A 452 5.842 6.458 -5.353 1.00 22.13 H new ATOM 0 HB3 ASN A 452 4.863 6.669 -3.914 1.00 22.13 H new ATOM 0 HD21 ASN A 452 5.562 10.135 -4.012 1.00 41.42 H new ATOM 0 HD22 ASN A 452 4.357 8.845 -4.068 1.00 41.42 H new ATOM 2220 N THR A 453 5.805 5.784 -1.296 1.00 70.22 N ATOM 2221 CA THR A 453 5.666 6.112 0.119 1.00 45.01 C ATOM 2222 C THR A 453 6.810 5.474 0.912 1.00 24.11 C ATOM 2223 O THR A 453 7.574 6.203 1.522 1.00 63.11 O ATOM 2224 CB THR A 453 4.280 5.695 0.711 1.00 42.22 C ATOM 2225 OG1 THR A 453 4.080 4.317 0.495 1.00 35.04 O ATOM 2226 CG2 THR A 453 3.102 6.478 0.093 1.00 34.01 C ATOM 0 H THR A 453 5.056 5.196 -1.662 1.00 70.22 H new ATOM 0 HA THR A 453 5.719 7.197 0.207 1.00 45.01 H new ATOM 0 HB THR A 453 4.301 5.928 1.776 1.00 42.22 H new ATOM 0 HG1 THR A 453 3.567 3.940 1.240 1.00 35.04 H new ATOM 0 HG21 THR A 453 2.167 6.145 0.544 1.00 34.01 H new ATOM 0 HG22 THR A 453 3.235 7.544 0.280 1.00 34.01 H new ATOM 0 HG23 THR A 453 3.071 6.300 -0.982 1.00 34.01 H new ATOM 2234 N SER A 454 6.972 4.125 0.818 1.00 23.43 N ATOM 2235 CA SER A 454 8.046 3.381 1.532 1.00 64.12 C ATOM 2236 C SER A 454 9.442 3.969 1.253 1.00 32.25 C ATOM 2237 O SER A 454 10.313 3.942 2.129 1.00 31.40 O ATOM 2238 CB SER A 454 8.031 1.880 1.160 1.00 20.35 C ATOM 2239 OG SER A 454 8.277 1.683 -0.220 1.00 3.34 O ATOM 0 H SER A 454 6.368 3.529 0.251 1.00 23.43 H new ATOM 0 HA SER A 454 7.839 3.486 2.597 1.00 64.12 H new ATOM 0 HB2 SER A 454 8.785 1.352 1.744 1.00 20.35 H new ATOM 0 HB3 SER A 454 7.065 1.449 1.423 1.00 20.35 H new ATOM 0 HG SER A 454 7.432 1.734 -0.714 1.00 3.34 H new ATOM 2245 N SER A 455 9.626 4.506 0.028 1.00 13.53 N ATOM 2246 CA SER A 455 10.849 5.213 -0.366 1.00 41.22 C ATOM 2247 C SER A 455 11.087 6.450 0.537 1.00 51.01 C ATOM 2248 O SER A 455 12.059 6.482 1.309 1.00 40.31 O ATOM 2249 CB SER A 455 10.767 5.615 -1.858 1.00 11.42 C ATOM 2250 OG SER A 455 11.935 6.297 -2.288 1.00 11.44 O ATOM 0 H SER A 455 8.926 4.458 -0.712 1.00 13.53 H new ATOM 0 HA SER A 455 11.700 4.545 -0.235 1.00 41.22 H new ATOM 0 HB2 SER A 455 10.623 4.722 -2.467 1.00 11.42 H new ATOM 0 HB3 SER A 455 9.896 6.252 -2.015 1.00 11.42 H new ATOM 0 HG SER A 455 11.846 6.533 -3.235 1.00 11.44 H new ATOM 2256 N TYR A 456 10.175 7.451 0.485 1.00 22.51 N ATOM 2257 CA TYR A 456 10.360 8.698 1.264 1.00 64.35 C ATOM 2258 C TYR A 456 10.160 8.483 2.775 1.00 74.14 C ATOM 2259 O TYR A 456 10.660 9.269 3.568 1.00 64.44 O ATOM 2260 CB TYR A 456 9.517 9.894 0.725 1.00 53.51 C ATOM 2261 CG TYR A 456 7.977 9.762 0.687 1.00 54.21 C ATOM 2262 CD1 TYR A 456 7.210 9.690 1.856 1.00 43.42 C ATOM 2263 CD2 TYR A 456 7.281 9.800 -0.529 1.00 52.14 C ATOM 2264 CE1 TYR A 456 5.830 9.661 1.812 1.00 2.54 C ATOM 2265 CE2 TYR A 456 5.898 9.758 -0.571 1.00 71.21 C ATOM 2266 CZ TYR A 456 5.181 9.693 0.600 1.00 2.15 C ATOM 2267 OH TYR A 456 3.804 9.684 0.558 1.00 40.24 O ATOM 0 H TYR A 456 9.323 7.422 -0.075 1.00 22.51 H new ATOM 0 HA TYR A 456 11.403 8.979 1.119 1.00 64.35 H new ATOM 0 HB2 TYR A 456 9.759 10.768 1.331 1.00 53.51 H new ATOM 0 HB3 TYR A 456 9.855 10.106 -0.289 1.00 53.51 H new ATOM 0 HD1 TYR A 456 7.709 9.656 2.813 1.00 43.42 H new ATOM 0 HD2 TYR A 456 7.836 9.863 -1.453 1.00 52.14 H new ATOM 0 HE1 TYR A 456 5.261 9.613 2.729 1.00 2.54 H new ATOM 0 HE2 TYR A 456 5.384 9.776 -1.521 1.00 71.21 H new ATOM 0 HH TYR A 456 3.505 9.711 -0.375 1.00 40.24 H new ATOM 2277 N LEU A 457 9.444 7.406 3.156 1.00 11.55 N ATOM 2278 CA LEU A 457 9.184 7.061 4.570 1.00 11.34 C ATOM 2279 C LEU A 457 10.450 6.499 5.235 1.00 13.41 C ATOM 2280 O LEU A 457 10.707 6.788 6.398 1.00 61.40 O ATOM 2281 CB LEU A 457 8.017 6.030 4.710 1.00 35.15 C ATOM 2282 CG LEU A 457 6.570 6.545 4.436 1.00 65.14 C ATOM 2283 CD1 LEU A 457 5.538 5.397 4.561 1.00 2.34 C ATOM 2284 CD2 LEU A 457 6.217 7.714 5.368 1.00 42.23 C ATOM 0 H LEU A 457 9.030 6.751 2.493 1.00 11.55 H new ATOM 0 HA LEU A 457 8.890 7.981 5.074 1.00 11.34 H new ATOM 0 HB2 LEU A 457 8.215 5.202 4.029 1.00 35.15 H new ATOM 0 HB3 LEU A 457 8.045 5.624 5.721 1.00 35.15 H new ATOM 0 HG LEU A 457 6.533 6.914 3.411 1.00 65.14 H new ATOM 0 HD11 LEU A 457 4.538 5.784 4.365 1.00 2.34 H new ATOM 0 HD12 LEU A 457 5.773 4.616 3.838 1.00 2.34 H new ATOM 0 HD13 LEU A 457 5.576 4.982 5.568 1.00 2.34 H new ATOM 0 HD21 LEU A 457 5.203 8.055 5.157 1.00 42.23 H new ATOM 0 HD22 LEU A 457 6.280 7.384 6.405 1.00 42.23 H new ATOM 0 HD23 LEU A 457 6.917 8.534 5.205 1.00 42.23 H new ATOM 2296 N THR A 458 11.226 5.674 4.496 1.00 73.41 N ATOM 2297 CA THR A 458 12.468 5.083 5.032 1.00 51.34 C ATOM 2298 C THR A 458 13.581 6.145 5.101 1.00 74.14 C ATOM 2299 O THR A 458 14.409 6.119 6.015 1.00 73.35 O ATOM 2300 CB THR A 458 12.935 3.811 4.235 1.00 60.23 C ATOM 2301 OG1 THR A 458 13.943 3.119 4.980 1.00 5.41 O ATOM 2302 CG2 THR A 458 13.482 4.129 2.832 1.00 23.30 C ATOM 0 H THR A 458 11.014 5.406 3.535 1.00 73.41 H new ATOM 0 HA THR A 458 12.249 4.739 6.043 1.00 51.34 H new ATOM 0 HB THR A 458 12.048 3.192 4.100 1.00 60.23 H new ATOM 0 HG1 THR A 458 14.231 2.326 4.482 1.00 5.41 H new ATOM 0 HG21 THR A 458 13.785 3.204 2.341 1.00 23.30 H new ATOM 0 HG22 THR A 458 12.707 4.616 2.241 1.00 23.30 H new ATOM 0 HG23 THR A 458 14.343 4.792 2.919 1.00 23.30 H new ATOM 2310 N GLN A 459 13.563 7.093 4.139 1.00 51.53 N ATOM 2311 CA GLN A 459 14.468 8.263 4.146 1.00 23.34 C ATOM 2312 C GLN A 459 14.119 9.213 5.314 1.00 11.45 C ATOM 2313 O GLN A 459 15.011 9.732 6.006 1.00 24.01 O ATOM 2314 CB GLN A 459 14.376 9.013 2.790 1.00 33.31 C ATOM 2315 CG GLN A 459 14.787 8.165 1.568 1.00 41.30 C ATOM 2316 CD GLN A 459 14.620 8.874 0.213 1.00 22.44 C ATOM 2317 OE1 GLN A 459 13.610 9.727 0.076 1.00 44.22 O flip ATOM 2318 NE2 GLN A 459 15.377 8.623 -0.727 1.00 75.25 N flip ATOM 0 H GLN A 459 12.927 7.070 3.342 1.00 51.53 H new ATOM 0 HA GLN A 459 15.491 7.913 4.286 1.00 23.34 H new ATOM 0 HB2 GLN A 459 13.353 9.361 2.649 1.00 33.31 H new ATOM 0 HB3 GLN A 459 15.010 9.898 2.834 1.00 33.31 H new ATOM 0 HG2 GLN A 459 15.830 7.868 1.682 1.00 41.30 H new ATOM 0 HG3 GLN A 459 14.194 7.250 1.561 1.00 41.30 H new ATOM 0 HE21 GLN A 459 16.146 7.965 -0.601 1.00 75.25 H new ATOM 0 HE22 GLN A 459 15.234 9.073 -1.631 1.00 75.25 H new ATOM 2327 N GLN A 460 12.806 9.415 5.534 1.00 24.44 N ATOM 2328 CA GLN A 460 12.288 10.298 6.599 1.00 51.14 C ATOM 2329 C GLN A 460 12.543 9.653 7.971 1.00 60.33 C ATOM 2330 O GLN A 460 12.800 10.352 8.944 1.00 13.10 O ATOM 2331 CB GLN A 460 10.768 10.592 6.367 1.00 63.43 C ATOM 2332 CG GLN A 460 10.222 11.894 7.013 1.00 3.45 C ATOM 2333 CD GLN A 460 10.019 11.831 8.532 1.00 73.21 C ATOM 2334 OE1 GLN A 460 9.704 10.782 9.093 1.00 32.35 O ATOM 2335 NE2 GLN A 460 10.197 12.956 9.206 1.00 25.22 N ATOM 0 H GLN A 460 12.074 8.971 4.979 1.00 24.44 H new ATOM 0 HA GLN A 460 12.812 11.254 6.572 1.00 51.14 H new ATOM 0 HB2 GLN A 460 10.587 10.639 5.293 1.00 63.43 H new ATOM 0 HB3 GLN A 460 10.192 9.750 6.751 1.00 63.43 H new ATOM 0 HG2 GLN A 460 10.910 12.709 6.787 1.00 3.45 H new ATOM 0 HG3 GLN A 460 9.269 12.142 6.545 1.00 3.45 H new ATOM 0 HE21 GLN A 460 10.458 13.810 8.713 1.00 25.22 H new ATOM 0 HE22 GLN A 460 10.073 12.969 10.218 1.00 25.22 H new ATOM 2344 N PHE A 461 12.482 8.308 8.023 1.00 24.52 N ATOM 2345 CA PHE A 461 12.820 7.528 9.226 1.00 34.44 C ATOM 2346 C PHE A 461 14.321 7.647 9.539 1.00 2.34 C ATOM 2347 O PHE A 461 14.699 7.723 10.702 1.00 71.42 O ATOM 2348 CB PHE A 461 12.395 6.040 9.061 1.00 12.32 C ATOM 2349 CG PHE A 461 12.780 5.117 10.225 1.00 74.11 C ATOM 2350 CD1 PHE A 461 12.526 5.481 11.550 1.00 21.33 C ATOM 2351 CD2 PHE A 461 13.414 3.893 9.996 1.00 31.45 C ATOM 2352 CE1 PHE A 461 12.902 4.657 12.595 1.00 23.45 C ATOM 2353 CE2 PHE A 461 13.781 3.070 11.042 1.00 41.11 C ATOM 2354 CZ PHE A 461 13.528 3.455 12.342 1.00 2.04 C ATOM 0 H PHE A 461 12.197 7.733 7.230 1.00 24.52 H new ATOM 0 HA PHE A 461 12.265 7.938 10.070 1.00 34.44 H new ATOM 0 HB2 PHE A 461 11.314 6.000 8.929 1.00 12.32 H new ATOM 0 HB3 PHE A 461 12.842 5.650 8.146 1.00 12.32 H new ATOM 0 HD1 PHE A 461 12.030 6.417 11.760 1.00 21.33 H new ATOM 0 HD2 PHE A 461 13.621 3.585 8.982 1.00 31.45 H new ATOM 0 HE1 PHE A 461 12.704 4.956 13.614 1.00 23.45 H new ATOM 0 HE2 PHE A 461 14.266 2.126 10.842 1.00 41.11 H new ATOM 0 HZ PHE A 461 13.820 2.815 13.161 1.00 2.04 H new ATOM 2364 N THR A 462 15.167 7.680 8.488 1.00 64.32 N ATOM 2365 CA THR A 462 16.619 7.879 8.647 1.00 4.31 C ATOM 2366 C THR A 462 16.910 9.251 9.293 1.00 43.33 C ATOM 2367 O THR A 462 17.782 9.364 10.152 1.00 24.34 O ATOM 2368 CB THR A 462 17.366 7.757 7.275 1.00 22.23 C ATOM 2369 OG1 THR A 462 17.092 6.477 6.678 1.00 23.34 O ATOM 2370 CG2 THR A 462 18.888 7.925 7.425 1.00 3.31 C ATOM 0 H THR A 462 14.867 7.571 7.519 1.00 64.32 H new ATOM 0 HA THR A 462 16.991 7.093 9.304 1.00 4.31 H new ATOM 0 HB THR A 462 16.998 8.560 6.637 1.00 22.23 H new ATOM 0 HG1 THR A 462 16.137 6.411 6.470 1.00 23.34 H new ATOM 0 HG21 THR A 462 19.362 7.833 6.448 1.00 3.31 H new ATOM 0 HG22 THR A 462 19.106 8.908 7.843 1.00 3.31 H new ATOM 0 HG23 THR A 462 19.275 7.154 8.091 1.00 3.31 H new ATOM 2378 N ALA A 463 16.146 10.277 8.883 1.00 12.15 N ATOM 2379 CA ALA A 463 16.274 11.636 9.439 1.00 72.21 C ATOM 2380 C ALA A 463 15.739 11.706 10.890 1.00 52.23 C ATOM 2381 O ALA A 463 16.450 12.134 11.807 1.00 23.40 O ATOM 2382 CB ALA A 463 15.541 12.637 8.534 1.00 62.33 C ATOM 0 H ALA A 463 15.428 10.190 8.163 1.00 12.15 H new ATOM 0 HA ALA A 463 17.332 11.898 9.473 1.00 72.21 H new ATOM 0 HB1 ALA A 463 15.638 13.641 8.948 1.00 62.33 H new ATOM 0 HB2 ALA A 463 15.978 12.613 7.536 1.00 62.33 H new ATOM 0 HB3 ALA A 463 14.486 12.369 8.475 1.00 62.33 H new ATOM 2388 N MET A 464 14.499 11.223 11.086 1.00 22.35 N ATOM 2389 CA MET A 464 13.786 11.279 12.386 1.00 22.31 C ATOM 2390 C MET A 464 14.537 10.481 13.470 1.00 54.43 C ATOM 2391 O MET A 464 14.530 10.850 14.649 1.00 44.14 O ATOM 2392 CB MET A 464 12.332 10.744 12.223 1.00 74.45 C ATOM 2393 CG MET A 464 11.486 10.732 13.509 1.00 33.34 C ATOM 2394 SD MET A 464 9.800 10.149 13.237 1.00 20.40 S ATOM 2395 CE MET A 464 9.075 11.487 12.283 1.00 54.23 C ATOM 0 H MET A 464 13.956 10.779 10.346 1.00 22.35 H new ATOM 0 HA MET A 464 13.746 12.320 12.707 1.00 22.31 H new ATOM 0 HB2 MET A 464 11.820 11.352 11.477 1.00 74.45 H new ATOM 0 HB3 MET A 464 12.378 9.729 11.829 1.00 74.45 H new ATOM 0 HG2 MET A 464 11.970 10.095 14.250 1.00 33.34 H new ATOM 0 HG3 MET A 464 11.454 11.739 13.926 1.00 33.34 H new ATOM 0 HE1 MET A 464 8.192 11.865 12.799 1.00 54.23 H new ATOM 0 HE2 MET A 464 9.803 12.291 12.173 1.00 54.23 H new ATOM 0 HE3 MET A 464 8.790 11.118 11.298 1.00 54.23 H new ATOM 2405 N ASN A 465 15.194 9.394 13.047 1.00 11.21 N ATOM 2406 CA ASN A 465 16.013 8.558 13.936 1.00 53.01 C ATOM 2407 C ASN A 465 17.387 9.244 14.138 1.00 70.55 C ATOM 2408 O ASN A 465 17.705 9.682 15.244 1.00 14.44 O ATOM 2409 CB ASN A 465 16.154 7.123 13.344 1.00 40.13 C ATOM 2410 CG ASN A 465 16.617 6.060 14.349 1.00 65.03 C ATOM 2411 OD1 ASN A 465 17.324 6.342 15.315 1.00 14.13 O ATOM 2412 ND2 ASN A 465 16.250 4.817 14.098 1.00 10.04 N ATOM 0 H ASN A 465 15.173 9.069 12.080 1.00 11.21 H new ATOM 0 HA ASN A 465 15.534 8.454 14.910 1.00 53.01 H new ATOM 0 HB2 ASN A 465 15.193 6.819 12.930 1.00 40.13 H new ATOM 0 HB3 ASN A 465 16.862 7.154 12.516 1.00 40.13 H new ATOM 0 HD21 ASN A 465 16.553 4.062 14.713 1.00 10.04 H new ATOM 0 HD22 ASN A 465 15.663 4.612 13.289 1.00 10.04 H new ATOM 2419 N LYS A 466 18.187 9.365 13.054 1.00 12.42 N ATOM 2420 CA LYS A 466 19.520 10.019 13.098 1.00 12.20 C ATOM 2421 C LYS A 466 19.636 11.176 12.063 1.00 22.40 C ATOM 2422 O LYS A 466 20.130 10.982 10.952 1.00 24.44 O ATOM 2423 CB LYS A 466 20.678 8.965 12.948 1.00 43.43 C ATOM 2424 CG LYS A 466 20.684 8.075 11.658 1.00 72.03 C ATOM 2425 CD LYS A 466 19.637 6.937 11.654 1.00 53.13 C ATOM 2426 CE LYS A 466 19.834 5.936 12.808 1.00 13.11 C ATOM 2427 NZ LYS A 466 21.169 5.287 12.793 1.00 50.14 N ATOM 0 H LYS A 466 17.932 9.016 12.130 1.00 12.42 H new ATOM 0 HA LYS A 466 19.628 10.476 14.082 1.00 12.20 H new ATOM 0 HB2 LYS A 466 21.627 9.499 12.992 1.00 43.43 H new ATOM 0 HB3 LYS A 466 20.644 8.303 13.813 1.00 43.43 H new ATOM 0 HG2 LYS A 466 20.510 8.713 10.792 1.00 72.03 H new ATOM 0 HG3 LYS A 466 21.676 7.639 11.539 1.00 72.03 H new ATOM 0 HD2 LYS A 466 18.638 7.369 11.721 1.00 53.13 H new ATOM 0 HD3 LYS A 466 19.691 6.404 10.705 1.00 53.13 H new ATOM 0 HE2 LYS A 466 19.699 6.454 13.758 1.00 13.11 H new ATOM 0 HE3 LYS A 466 19.062 5.168 12.751 1.00 13.11 H new ATOM 0 HZ1 LYS A 466 21.218 4.576 13.551 1.00 50.14 H new ATOM 0 HZ2 LYS A 466 21.320 4.824 11.874 1.00 50.14 H new ATOM 0 HZ3 LYS A 466 21.906 6.005 12.944 1.00 50.14 H new ATOM 2441 N SER A 467 19.078 12.358 12.414 1.00 2.12 N ATOM 2442 CA SER A 467 19.344 13.630 11.703 1.00 32.10 C ATOM 2443 C SER A 467 20.871 13.876 11.521 1.00 23.22 C ATOM 2444 O SER A 467 21.549 14.215 12.519 1.00 72.45 O ATOM 2445 CB SER A 467 18.686 14.812 12.472 1.00 71.44 C ATOM 2446 OG SER A 467 17.278 14.665 12.553 1.00 73.23 O ATOM 2447 OXT SER A 467 21.381 13.721 10.386 1.00 37.31 O ATOM 0 H SER A 467 18.432 12.456 13.197 1.00 2.12 H new ATOM 0 HA SER A 467 18.905 13.562 10.708 1.00 32.10 H new ATOM 0 HB2 SER A 467 19.104 14.870 13.477 1.00 71.44 H new ATOM 0 HB3 SER A 467 18.926 15.750 11.972 1.00 71.44 H new ATOM 0 HG SER A 467 17.020 13.786 12.204 1.00 73.23 H new TER 2453 SER A 467