USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 985 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 18 SER OG : rot -23:sc= 1.12 USER MOD Set 1.2: A 19 GLN : amide:sc= -0.143 K(o=1.3,f=-0.004) USER MOD Set 1.3: A 74 ASN : amide:sc= 0.342 K(o=1.3,f=-1.9) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.259 X(o=-0.88,f=-0.74) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.616 K(o=-0.88,f=-5.1!) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0156) 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= -0.0697 USER MOD Single : A 4 THR OG1 : rot -140:sc= 0.0691 USER MOD Single : A 20 SER OG : rot 76:sc= 1.23 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 35 GLN : amide:sc=-0.00672 X(o=-0.0067,f=-0.28) USER MOD Single : A 36 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -154:sc= 0.39 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 89:sc= 1.91 USER MOD Single : A 46 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 48 MET CE :methyl -131:sc= -1.24 (180deg=-5.99!) USER MOD Single : A 50 LYS NZ :NH3+ 134:sc= 0.0745 (180deg=-0.996) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 120:sc= -0.216 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.399 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.199 K(o=-0.2,f=-5!) USER MOD Single : A 63 MET CE :methyl 179:sc= -0.0586 (180deg=-0.0703) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 0.454 (180deg=0.444) USER MOD Single : A 70 GLN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 71 THR OG1 : rot -56:sc= 0.874 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0113 F(o=-0.92,f=-0.011) USER MOD Single : A 79 LYS NZ :NH3+ 154:sc= 0.15 (180deg=-1.61!) USER MOD Single : A 83 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.089) USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 90 SER OG : rot 80:sc= 0.0183 USER MOD Single : A 91 SER OG : rot -37:sc= 0.502 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 97 THR OG1 : rot 130:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0027 X(o=-0.0027,f=-0.017) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc=-0.00644 (180deg=-0.0914) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.00082) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -153:sc= -0.0267 (180deg=-0.432) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.698 2.800 21.625 1.00 11.21 N ATOM 2 CA MET A 1 2.314 2.900 20.284 1.00 71.33 C ATOM 3 C MET A 1 1.267 3.393 19.260 1.00 2.41 C ATOM 4 O MET A 1 1.080 2.796 18.197 1.00 12.22 O ATOM 5 CB MET A 1 2.958 1.533 19.867 1.00 4.25 C ATOM 6 CG MET A 1 1.979 0.351 19.705 1.00 24.44 C ATOM 7 SD MET A 1 2.769 -1.110 18.989 1.00 20.53 S ATOM 8 CE MET A 1 1.347 -2.141 18.608 1.00 64.03 C ATOM 0 H1 MET A 1 2.407 2.468 22.309 1.00 11.21 H new ATOM 0 H2 MET A 1 1.347 3.735 21.916 1.00 11.21 H new ATOM 0 H3 MET A 1 0.906 2.127 21.594 1.00 11.21 H new ATOM 0 HA MET A 1 3.121 3.633 20.310 1.00 71.33 H new ATOM 0 HB2 MET A 1 3.486 1.674 18.924 1.00 4.25 H new ATOM 0 HB3 MET A 1 3.705 1.262 20.613 1.00 4.25 H new ATOM 0 HG2 MET A 1 1.561 0.094 20.678 1.00 24.44 H new ATOM 0 HG3 MET A 1 1.147 0.657 19.071 1.00 24.44 H new ATOM 0 HE1 MET A 1 1.687 -3.128 18.294 1.00 64.03 H new ATOM 0 HE2 MET A 1 0.720 -2.238 19.494 1.00 64.03 H new ATOM 0 HE3 MET A 1 0.771 -1.683 17.804 1.00 64.03 H new ATOM 20 N THR A 2 0.614 4.532 19.576 1.00 55.14 N ATOM 21 CA THR A 2 -0.480 5.103 18.755 1.00 34.21 C ATOM 22 C THR A 2 -0.033 5.366 17.297 1.00 63.45 C ATOM 23 O THR A 2 -0.831 5.214 16.370 1.00 54.01 O ATOM 24 CB THR A 2 -1.018 6.424 19.387 1.00 51.50 C ATOM 25 OG1 THR A 2 0.068 7.353 19.560 1.00 61.42 O ATOM 26 CG2 THR A 2 -1.714 6.182 20.744 1.00 53.24 C ATOM 0 H THR A 2 0.829 5.083 20.407 1.00 55.14 H new ATOM 0 HA THR A 2 -1.280 4.363 18.735 1.00 34.21 H new ATOM 0 HB THR A 2 -1.762 6.835 18.705 1.00 51.50 H new ATOM 0 HG1 THR A 2 -0.271 8.183 19.955 1.00 61.42 H new ATOM 0 HG21 THR A 2 -2.071 7.131 21.144 1.00 53.24 H new ATOM 0 HG22 THR A 2 -2.558 5.506 20.605 1.00 53.24 H new ATOM 0 HG23 THR A 2 -1.005 5.738 21.443 1.00 53.24 H new ATOM 34 N SER A 3 1.257 5.726 17.124 1.00 30.10 N ATOM 35 CA SER A 3 1.879 5.913 15.801 1.00 22.22 C ATOM 36 C SER A 3 1.898 4.585 15.004 1.00 15.15 C ATOM 37 O SER A 3 1.587 4.577 13.814 1.00 35.11 O ATOM 38 CB SER A 3 3.315 6.463 15.973 1.00 12.42 C ATOM 39 OG SER A 3 4.099 5.616 16.806 1.00 21.12 O ATOM 0 H SER A 3 1.895 5.895 17.901 1.00 30.10 H new ATOM 0 HA SER A 3 1.286 6.632 15.236 1.00 22.22 H new ATOM 0 HB2 SER A 3 3.790 6.556 14.996 1.00 12.42 H new ATOM 0 HB3 SER A 3 3.274 7.463 16.404 1.00 12.42 H new ATOM 0 HG SER A 3 5.001 5.988 16.895 1.00 21.12 H new ATOM 45 N THR A 4 2.257 3.476 15.694 1.00 63.31 N ATOM 46 CA THR A 4 2.313 2.125 15.098 1.00 12.43 C ATOM 47 C THR A 4 0.903 1.590 14.771 1.00 15.40 C ATOM 48 O THR A 4 0.715 0.938 13.752 1.00 2.43 O ATOM 49 CB THR A 4 3.048 1.116 16.042 1.00 13.50 C ATOM 50 OG1 THR A 4 4.324 1.648 16.429 1.00 22.43 O ATOM 51 CG2 THR A 4 3.259 -0.261 15.381 1.00 42.54 C ATOM 0 H THR A 4 2.516 3.496 16.680 1.00 63.31 H new ATOM 0 HA THR A 4 2.876 2.215 14.169 1.00 12.43 H new ATOM 0 HB THR A 4 2.411 0.976 16.915 1.00 13.50 H new ATOM 0 HG1 THR A 4 4.989 0.928 16.439 1.00 22.43 H new ATOM 0 HG21 THR A 4 3.773 -0.924 16.077 1.00 42.54 H new ATOM 0 HG22 THR A 4 2.292 -0.690 15.118 1.00 42.54 H new ATOM 0 HG23 THR A 4 3.861 -0.144 14.480 1.00 42.54 H new ATOM 59 N VAL A 5 -0.078 1.888 15.642 1.00 22.11 N ATOM 60 CA VAL A 5 -1.476 1.453 15.460 1.00 71.42 C ATOM 61 C VAL A 5 -2.067 2.109 14.204 1.00 23.13 C ATOM 62 O VAL A 5 -2.658 1.425 13.361 1.00 53.54 O ATOM 63 CB VAL A 5 -2.355 1.784 16.720 1.00 72.34 C ATOM 64 CG1 VAL A 5 -3.840 1.391 16.501 1.00 41.21 C ATOM 65 CG2 VAL A 5 -1.777 1.095 17.980 1.00 70.41 C ATOM 0 H VAL A 5 0.074 2.435 16.489 1.00 22.11 H new ATOM 0 HA VAL A 5 -1.480 0.370 15.336 1.00 71.42 H new ATOM 0 HB VAL A 5 -2.326 2.863 16.873 1.00 72.34 H new ATOM 0 HG11 VAL A 5 -4.416 1.635 17.393 1.00 41.21 H new ATOM 0 HG12 VAL A 5 -4.240 1.941 15.649 1.00 41.21 H new ATOM 0 HG13 VAL A 5 -3.908 0.321 16.306 1.00 41.21 H new ATOM 0 HG21 VAL A 5 -2.398 1.335 18.843 1.00 70.41 H new ATOM 0 HG22 VAL A 5 -1.765 0.015 17.831 1.00 70.41 H new ATOM 0 HG23 VAL A 5 -0.761 1.449 18.154 1.00 70.41 H new ATOM 75 N GLU A 6 -1.853 3.434 14.081 1.00 5.14 N ATOM 76 CA GLU A 6 -2.223 4.197 12.883 1.00 52.15 C ATOM 77 C GLU A 6 -1.487 3.655 11.650 1.00 13.11 C ATOM 78 O GLU A 6 -2.096 3.475 10.611 1.00 64.33 O ATOM 79 CB GLU A 6 -1.913 5.706 13.078 1.00 23.50 C ATOM 80 CG GLU A 6 -2.817 6.419 14.103 1.00 31.50 C ATOM 81 CD GLU A 6 -4.302 6.450 13.687 1.00 61.41 C ATOM 82 OE1 GLU A 6 -4.723 7.404 12.991 1.00 21.02 O ATOM 83 OE2 GLU A 6 -5.058 5.521 14.038 1.00 62.34 O ATOM 0 H GLU A 6 -1.419 4.000 14.810 1.00 5.14 H new ATOM 0 HA GLU A 6 -3.295 4.083 12.724 1.00 52.15 H new ATOM 0 HB2 GLU A 6 -0.875 5.813 13.393 1.00 23.50 H new ATOM 0 HB3 GLU A 6 -2.008 6.210 12.116 1.00 23.50 H new ATOM 0 HG2 GLU A 6 -2.727 5.918 15.067 1.00 31.50 H new ATOM 0 HG3 GLU A 6 -2.464 7.441 14.240 1.00 31.50 H new ATOM 90 N PHE A 7 -0.188 3.349 11.819 1.00 43.33 N ATOM 91 CA PHE A 7 0.689 2.881 10.730 1.00 72.32 C ATOM 92 C PHE A 7 0.148 1.578 10.098 1.00 2.22 C ATOM 93 O PHE A 7 -0.081 1.537 8.887 1.00 74.52 O ATOM 94 CB PHE A 7 2.126 2.687 11.284 1.00 52.44 C ATOM 95 CG PHE A 7 3.210 2.493 10.235 1.00 40.31 C ATOM 96 CD1 PHE A 7 3.530 3.526 9.352 1.00 23.24 C ATOM 97 CD2 PHE A 7 3.937 1.305 10.153 1.00 14.34 C ATOM 98 CE1 PHE A 7 4.534 3.373 8.416 1.00 34.32 C ATOM 99 CE2 PHE A 7 4.936 1.155 9.214 1.00 65.24 C ATOM 100 CZ PHE A 7 5.234 2.188 8.350 1.00 70.00 C ATOM 0 H PHE A 7 0.285 3.420 12.720 1.00 43.33 H new ATOM 0 HA PHE A 7 0.711 3.630 9.939 1.00 72.32 H new ATOM 0 HB2 PHE A 7 2.383 3.555 11.891 1.00 52.44 H new ATOM 0 HB3 PHE A 7 2.127 1.822 11.947 1.00 52.44 H new ATOM 0 HD1 PHE A 7 2.985 4.457 9.402 1.00 23.24 H new ATOM 0 HD2 PHE A 7 3.715 0.495 10.832 1.00 14.34 H new ATOM 0 HE1 PHE A 7 4.770 4.180 7.738 1.00 34.32 H new ATOM 0 HE2 PHE A 7 5.486 0.227 9.155 1.00 65.24 H new ATOM 0 HZ PHE A 7 6.019 2.068 7.619 1.00 70.00 H new ATOM 110 N ILE A 8 -0.109 0.548 10.942 1.00 54.31 N ATOM 111 CA ILE A 8 -0.645 -0.755 10.490 1.00 22.21 C ATOM 112 C ILE A 8 -2.044 -0.573 9.876 1.00 63.33 C ATOM 113 O ILE A 8 -2.317 -1.098 8.805 1.00 61.02 O ATOM 114 CB ILE A 8 -0.757 -1.811 11.656 1.00 24.00 C ATOM 115 CG1 ILE A 8 0.585 -1.962 12.432 1.00 73.24 C ATOM 116 CG2 ILE A 8 -1.225 -3.190 11.110 1.00 21.40 C ATOM 117 CD1 ILE A 8 0.490 -2.845 13.671 1.00 2.23 C ATOM 0 H ILE A 8 0.049 0.599 11.948 1.00 54.31 H new ATOM 0 HA ILE A 8 0.062 -1.132 9.751 1.00 22.21 H new ATOM 0 HB ILE A 8 -1.505 -1.439 12.357 1.00 24.00 H new ATOM 0 HG12 ILE A 8 1.336 -2.377 11.760 1.00 73.24 H new ATOM 0 HG13 ILE A 8 0.934 -0.973 12.729 1.00 73.24 H new ATOM 0 HG21 ILE A 8 -1.295 -3.902 11.932 1.00 21.40 H new ATOM 0 HG22 ILE A 8 -2.202 -3.082 10.639 1.00 21.40 H new ATOM 0 HG23 ILE A 8 -0.506 -3.553 10.375 1.00 21.40 H new ATOM 0 HD11 ILE A 8 1.465 -2.899 14.155 1.00 2.23 H new ATOM 0 HD12 ILE A 8 -0.236 -2.421 14.365 1.00 2.23 H new ATOM 0 HD13 ILE A 8 0.173 -3.847 13.381 1.00 2.23 H new ATOM 129 N ASN A 9 -2.902 0.204 10.574 1.00 64.33 N ATOM 130 CA ASN A 9 -4.310 0.429 10.179 1.00 20.02 C ATOM 131 C ASN A 9 -4.406 1.157 8.822 1.00 10.20 C ATOM 132 O ASN A 9 -5.331 0.913 8.034 1.00 11.22 O ATOM 133 CB ASN A 9 -5.057 1.232 11.283 1.00 15.20 C ATOM 134 CG ASN A 9 -6.563 1.423 11.034 1.00 10.25 C ATOM 135 OD1 ASN A 9 -7.135 2.453 11.396 1.00 23.20 O ATOM 136 ND2 ASN A 9 -7.228 0.431 10.450 1.00 23.34 N ATOM 0 H ASN A 9 -2.637 0.694 11.429 1.00 64.33 H new ATOM 0 HA ASN A 9 -4.787 -0.545 10.066 1.00 20.02 H new ATOM 0 HB2 ASN A 9 -4.923 0.722 12.237 1.00 15.20 H new ATOM 0 HB3 ASN A 9 -4.591 2.213 11.377 1.00 15.20 H new ATOM 0 HD21 ASN A 9 -8.233 0.513 10.293 1.00 23.34 H new ATOM 0 HD22 ASN A 9 -6.734 -0.412 10.159 1.00 23.34 H new ATOM 143 N ARG A 10 -3.430 2.031 8.560 1.00 11.10 N ATOM 144 CA ARG A 10 -3.332 2.766 7.294 1.00 73.14 C ATOM 145 C ARG A 10 -2.726 1.878 6.204 1.00 3.51 C ATOM 146 O ARG A 10 -3.040 2.052 5.044 1.00 63.52 O ATOM 147 CB ARG A 10 -2.518 4.072 7.468 1.00 31.12 C ATOM 148 CG ARG A 10 -3.216 5.148 8.333 1.00 30.22 C ATOM 149 CD ARG A 10 -2.314 6.361 8.619 1.00 21.02 C ATOM 150 NE ARG A 10 -2.923 7.278 9.605 1.00 25.00 N ATOM 151 CZ ARG A 10 -2.256 8.186 10.339 1.00 72.12 C ATOM 152 NH1 ARG A 10 -0.935 8.333 10.217 1.00 53.44 N ATOM 153 NH2 ARG A 10 -2.910 8.918 11.227 1.00 63.12 N ATOM 0 H ARG A 10 -2.684 2.250 9.220 1.00 11.10 H new ATOM 0 HA ARG A 10 -4.339 3.046 6.984 1.00 73.14 H new ATOM 0 HB2 ARG A 10 -1.556 3.829 7.918 1.00 31.12 H new ATOM 0 HB3 ARG A 10 -2.312 4.492 6.483 1.00 31.12 H new ATOM 0 HG2 ARG A 10 -4.120 5.485 7.826 1.00 30.22 H new ATOM 0 HG3 ARG A 10 -3.528 4.702 9.278 1.00 30.22 H new ATOM 0 HD2 ARG A 10 -1.349 6.017 8.991 1.00 21.02 H new ATOM 0 HD3 ARG A 10 -2.124 6.900 7.691 1.00 21.02 H new ATOM 0 HE ARG A 10 -3.932 7.217 9.740 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -0.416 7.752 9.559 1.00 53.44 H new ATOM 0 HH12 ARG A 10 -0.445 9.027 10.782 1.00 53.44 H new ATOM 0 HH21 ARG A 10 -3.914 8.792 11.352 1.00 63.12 H new ATOM 0 HH22 ARG A 10 -2.409 9.608 11.787 1.00 63.12 H new ATOM 167 N TRP A 11 -1.864 0.917 6.576 1.00 4.22 N ATOM 168 CA TRP A 11 -1.377 -0.103 5.622 1.00 33.04 C ATOM 169 C TRP A 11 -2.451 -1.177 5.364 1.00 73.30 C ATOM 170 O TRP A 11 -2.367 -1.877 4.363 1.00 31.42 O ATOM 171 CB TRP A 11 -0.026 -0.730 6.067 1.00 34.11 C ATOM 172 CG TRP A 11 1.162 0.165 5.776 1.00 73.21 C ATOM 173 CD1 TRP A 11 1.903 0.876 6.670 1.00 34.21 C ATOM 174 CD2 TRP A 11 1.714 0.466 4.476 1.00 43.12 C ATOM 175 NE1 TRP A 11 2.878 1.583 6.020 1.00 2.42 N ATOM 176 CE2 TRP A 11 2.787 1.351 4.679 1.00 11.03 C ATOM 177 CE3 TRP A 11 1.415 0.063 3.165 1.00 42.41 C ATOM 178 CZ2 TRP A 11 3.552 1.854 3.631 1.00 73.13 C ATOM 179 CZ3 TRP A 11 2.175 0.566 2.120 1.00 64.31 C ATOM 180 CH2 TRP A 11 3.237 1.450 2.361 1.00 34.03 C ATOM 0 H TRP A 11 -1.491 0.822 7.521 1.00 4.22 H new ATOM 0 HA TRP A 11 -1.183 0.405 4.677 1.00 33.04 H new ATOM 0 HB2 TRP A 11 -0.063 -0.940 7.136 1.00 34.11 H new ATOM 0 HB3 TRP A 11 0.111 -1.684 5.559 1.00 34.11 H new ATOM 0 HD1 TRP A 11 1.744 0.881 7.738 1.00 34.21 H new ATOM 0 HE1 TRP A 11 3.565 2.189 6.468 1.00 2.42 H new ATOM 0 HE3 TRP A 11 0.607 -0.627 2.974 1.00 42.41 H new ATOM 0 HZ2 TRP A 11 4.366 2.540 3.813 1.00 73.13 H new ATOM 0 HZ3 TRP A 11 1.946 0.273 1.106 1.00 64.31 H new ATOM 0 HH2 TRP A 11 3.818 1.819 1.529 1.00 34.03 H new ATOM 191 N GLN A 12 -3.451 -1.307 6.274 1.00 21.13 N ATOM 192 CA GLN A 12 -4.664 -2.116 6.014 1.00 75.04 C ATOM 193 C GLN A 12 -5.486 -1.411 4.931 1.00 12.11 C ATOM 194 O GLN A 12 -5.886 -2.023 3.957 1.00 44.32 O ATOM 195 CB GLN A 12 -5.548 -2.301 7.284 1.00 32.15 C ATOM 196 CG GLN A 12 -4.877 -3.037 8.450 1.00 64.43 C ATOM 197 CD GLN A 12 -5.833 -3.275 9.619 1.00 31.04 C ATOM 198 OE1 GLN A 12 -5.957 -2.446 10.521 1.00 72.11 O ATOM 199 NE2 GLN A 12 -6.531 -4.396 9.606 1.00 72.12 N ATOM 0 H GLN A 12 -3.438 -0.862 7.192 1.00 21.13 H new ATOM 0 HA GLN A 12 -4.345 -3.109 5.697 1.00 75.04 H new ATOM 0 HB2 GLN A 12 -5.866 -1.318 7.631 1.00 32.15 H new ATOM 0 HB3 GLN A 12 -6.449 -2.846 7.003 1.00 32.15 H new ATOM 0 HG2 GLN A 12 -4.493 -3.994 8.098 1.00 64.43 H new ATOM 0 HG3 GLN A 12 -4.021 -2.458 8.797 1.00 64.43 H new ATOM 0 HE21 GLN A 12 -6.408 -5.065 8.846 1.00 72.12 H new ATOM 0 HE22 GLN A 12 -7.193 -4.593 10.356 1.00 72.12 H new ATOM 208 N ARG A 13 -5.689 -0.100 5.144 1.00 21.51 N ATOM 209 CA ARG A 13 -6.335 0.824 4.186 1.00 53.02 C ATOM 210 C ARG A 13 -5.730 0.664 2.764 1.00 43.41 C ATOM 211 O ARG A 13 -6.454 0.398 1.802 1.00 2.14 O ATOM 212 CB ARG A 13 -6.146 2.272 4.735 1.00 2.34 C ATOM 213 CG ARG A 13 -6.522 3.438 3.797 1.00 51.45 C ATOM 214 CD ARG A 13 -8.032 3.620 3.610 1.00 25.12 C ATOM 215 NE ARG A 13 -8.324 4.835 2.830 1.00 5.32 N ATOM 216 CZ ARG A 13 -9.522 5.430 2.732 1.00 61.23 C ATOM 217 NH1 ARG A 13 -10.585 4.926 3.358 1.00 15.50 N ATOM 218 NH2 ARG A 13 -9.634 6.560 2.038 1.00 61.25 N ATOM 0 H ARG A 13 -5.403 0.362 6.007 1.00 21.51 H new ATOM 0 HA ARG A 13 -7.397 0.599 4.092 1.00 53.02 H new ATOM 0 HB2 ARG A 13 -6.737 2.367 5.646 1.00 2.34 H new ATOM 0 HB3 ARG A 13 -5.101 2.391 5.020 1.00 2.34 H new ATOM 0 HG2 ARG A 13 -6.101 4.362 4.194 1.00 51.45 H new ATOM 0 HG3 ARG A 13 -6.062 3.271 2.823 1.00 51.45 H new ATOM 0 HD2 ARG A 13 -8.447 2.749 3.102 1.00 25.12 H new ATOM 0 HD3 ARG A 13 -8.518 3.683 4.584 1.00 25.12 H new ATOM 0 HE ARG A 13 -7.549 5.260 2.321 1.00 5.32 H new ATOM 0 HH11 ARG A 13 -10.492 4.079 3.919 1.00 15.50 H new ATOM 0 HH12 ARG A 13 -11.491 5.387 3.276 1.00 15.50 H new ATOM 0 HH21 ARG A 13 -8.814 6.965 1.587 1.00 61.25 H new ATOM 0 HH22 ARG A 13 -10.540 7.021 1.957 1.00 61.25 H new ATOM 232 N ILE A 14 -4.393 0.748 2.682 1.00 53.01 N ATOM 233 CA ILE A 14 -3.643 0.684 1.412 1.00 34.34 C ATOM 234 C ILE A 14 -3.709 -0.742 0.788 1.00 1.21 C ATOM 235 O ILE A 14 -4.038 -0.887 -0.391 1.00 14.05 O ATOM 236 CB ILE A 14 -2.145 1.129 1.646 1.00 54.42 C ATOM 237 CG1 ILE A 14 -2.069 2.571 2.232 1.00 43.12 C ATOM 238 CG2 ILE A 14 -1.313 1.059 0.354 1.00 42.30 C ATOM 239 CD1 ILE A 14 -0.692 2.963 2.742 1.00 51.01 C ATOM 0 H ILE A 14 -3.795 0.863 3.500 1.00 53.01 H new ATOM 0 HA ILE A 14 -4.106 1.371 0.704 1.00 34.34 H new ATOM 0 HB ILE A 14 -1.724 0.426 2.365 1.00 54.42 H new ATOM 0 HG12 ILE A 14 -2.375 3.280 1.463 1.00 43.12 H new ATOM 0 HG13 ILE A 14 -2.785 2.658 3.049 1.00 43.12 H new ATOM 0 HG21 ILE A 14 -0.290 1.374 0.562 1.00 42.30 H new ATOM 0 HG22 ILE A 14 -1.309 0.036 -0.021 1.00 42.30 H new ATOM 0 HG23 ILE A 14 -1.750 1.718 -0.396 1.00 42.30 H new ATOM 0 HD11 ILE A 14 -0.725 3.980 3.133 1.00 51.01 H new ATOM 0 HD12 ILE A 14 -0.389 2.279 3.535 1.00 51.01 H new ATOM 0 HD13 ILE A 14 0.027 2.912 1.924 1.00 51.01 H new ATOM 251 N ALA A 15 -3.441 -1.779 1.608 1.00 54.45 N ATOM 252 CA ALA A 15 -3.405 -3.196 1.157 1.00 54.42 C ATOM 253 C ALA A 15 -4.765 -3.655 0.584 1.00 32.13 C ATOM 254 O ALA A 15 -4.841 -4.223 -0.520 1.00 44.52 O ATOM 255 CB ALA A 15 -2.991 -4.107 2.325 1.00 11.41 C ATOM 0 H ALA A 15 -3.243 -1.664 2.602 1.00 54.45 H new ATOM 0 HA ALA A 15 -2.670 -3.269 0.356 1.00 54.42 H new ATOM 0 HB1 ALA A 15 -2.967 -5.143 1.987 1.00 11.41 H new ATOM 0 HB2 ALA A 15 -2.002 -3.818 2.679 1.00 11.41 H new ATOM 0 HB3 ALA A 15 -3.711 -4.007 3.137 1.00 11.41 H new ATOM 261 N LEU A 16 -5.831 -3.362 1.345 1.00 3.15 N ATOM 262 CA LEU A 16 -7.200 -3.766 1.008 1.00 61.04 C ATOM 263 C LEU A 16 -7.716 -2.998 -0.222 1.00 11.54 C ATOM 264 O LEU A 16 -8.299 -3.614 -1.109 1.00 21.51 O ATOM 265 CB LEU A 16 -8.140 -3.559 2.226 1.00 45.24 C ATOM 266 CG LEU A 16 -7.828 -4.430 3.490 1.00 13.01 C ATOM 267 CD1 LEU A 16 -8.712 -4.017 4.688 1.00 35.31 C ATOM 268 CD2 LEU A 16 -7.958 -5.937 3.180 1.00 5.24 C ATOM 0 H LEU A 16 -5.764 -2.835 2.216 1.00 3.15 H new ATOM 0 HA LEU A 16 -7.191 -4.827 0.757 1.00 61.04 H new ATOM 0 HB2 LEU A 16 -8.102 -2.509 2.515 1.00 45.24 H new ATOM 0 HB3 LEU A 16 -9.162 -3.766 1.910 1.00 45.24 H new ATOM 0 HG LEU A 16 -6.791 -4.245 3.772 1.00 13.01 H new ATOM 0 HD11 LEU A 16 -8.471 -4.640 5.549 1.00 35.31 H new ATOM 0 HD12 LEU A 16 -8.527 -2.971 4.933 1.00 35.31 H new ATOM 0 HD13 LEU A 16 -9.762 -4.148 4.427 1.00 35.31 H new ATOM 0 HD21 LEU A 16 -7.735 -6.514 4.078 1.00 5.24 H new ATOM 0 HD22 LEU A 16 -8.974 -6.155 2.852 1.00 5.24 H new ATOM 0 HD23 LEU A 16 -7.256 -6.208 2.391 1.00 5.24 H new ATOM 280 N LEU A 17 -7.478 -1.660 -0.276 1.00 20.15 N ATOM 281 CA LEU A 17 -7.941 -0.825 -1.410 1.00 11.30 C ATOM 282 C LEU A 17 -7.188 -1.152 -2.717 1.00 43.30 C ATOM 283 O LEU A 17 -7.780 -1.060 -3.785 1.00 70.13 O ATOM 284 CB LEU A 17 -7.864 0.700 -1.097 1.00 65.32 C ATOM 285 CG LEU A 17 -8.910 1.260 -0.075 1.00 15.42 C ATOM 286 CD1 LEU A 17 -8.765 2.788 0.080 1.00 3.35 C ATOM 287 CD2 LEU A 17 -10.355 0.874 -0.469 1.00 23.43 C ATOM 0 H LEU A 17 -6.974 -1.144 0.445 1.00 20.15 H new ATOM 0 HA LEU A 17 -8.991 -1.076 -1.557 1.00 11.30 H new ATOM 0 HB2 LEU A 17 -6.866 0.920 -0.718 1.00 65.32 H new ATOM 0 HB3 LEU A 17 -7.977 1.246 -2.034 1.00 65.32 H new ATOM 0 HG LEU A 17 -8.704 0.801 0.892 1.00 15.42 H new ATOM 0 HD11 LEU A 17 -9.502 3.153 0.795 1.00 3.35 H new ATOM 0 HD12 LEU A 17 -7.763 3.024 0.440 1.00 3.35 H new ATOM 0 HD13 LEU A 17 -8.927 3.269 -0.885 1.00 3.35 H new ATOM 0 HD21 LEU A 17 -11.053 1.280 0.263 1.00 23.43 H new ATOM 0 HD22 LEU A 17 -10.585 1.281 -1.454 1.00 23.43 H new ATOM 0 HD23 LEU A 17 -10.447 -0.212 -0.495 1.00 23.43 H new ATOM 299 N SER A 18 -5.897 -1.546 -2.629 1.00 12.04 N ATOM 300 CA SER A 18 -5.117 -1.958 -3.819 1.00 65.30 C ATOM 301 C SER A 18 -5.661 -3.283 -4.375 1.00 23.20 C ATOM 302 O SER A 18 -5.820 -3.434 -5.597 1.00 64.51 O ATOM 303 CB SER A 18 -3.609 -2.089 -3.497 1.00 63.21 C ATOM 304 OG SER A 18 -3.358 -3.038 -2.480 1.00 20.24 O ATOM 0 H SER A 18 -5.376 -1.587 -1.753 1.00 12.04 H new ATOM 0 HA SER A 18 -5.226 -1.180 -4.575 1.00 65.30 H new ATOM 0 HB2 SER A 18 -3.071 -2.377 -4.400 1.00 63.21 H new ATOM 0 HB3 SER A 18 -3.220 -1.118 -3.189 1.00 63.21 H new ATOM 0 HG SER A 18 -4.163 -3.152 -1.933 1.00 20.24 H new ATOM 310 N GLN A 19 -5.948 -4.234 -3.453 1.00 62.13 N ATOM 311 CA GLN A 19 -6.541 -5.538 -3.803 1.00 12.12 C ATOM 312 C GLN A 19 -7.949 -5.355 -4.406 1.00 54.05 C ATOM 313 O GLN A 19 -8.316 -6.047 -5.364 1.00 40.33 O ATOM 314 CB GLN A 19 -6.569 -6.468 -2.558 1.00 34.22 C ATOM 315 CG GLN A 19 -7.022 -7.922 -2.838 1.00 13.21 C ATOM 316 CD GLN A 19 -6.205 -8.607 -3.943 1.00 61.21 C ATOM 317 OE1 GLN A 19 -6.568 -8.576 -5.119 1.00 44.44 O ATOM 318 NE2 GLN A 19 -5.086 -9.213 -3.581 1.00 74.11 N ATOM 0 H GLN A 19 -5.775 -4.116 -2.455 1.00 62.13 H new ATOM 0 HA GLN A 19 -5.920 -6.013 -4.563 1.00 12.12 H new ATOM 0 HB2 GLN A 19 -5.572 -6.492 -2.119 1.00 34.22 H new ATOM 0 HB3 GLN A 19 -7.235 -6.033 -1.813 1.00 34.22 H new ATOM 0 HG2 GLN A 19 -6.940 -8.504 -1.920 1.00 13.21 H new ATOM 0 HG3 GLN A 19 -8.075 -7.920 -3.121 1.00 13.21 H new ATOM 0 HE21 GLN A 19 -4.807 -9.225 -2.600 1.00 74.11 H new ATOM 0 HE22 GLN A 19 -4.503 -9.668 -4.283 1.00 74.11 H new ATOM 327 N SER A 20 -8.701 -4.379 -3.858 1.00 52.21 N ATOM 328 CA SER A 20 -10.032 -4.019 -4.361 1.00 71.11 C ATOM 329 C SER A 20 -9.929 -3.506 -5.800 1.00 63.22 C ATOM 330 O SER A 20 -10.567 -4.058 -6.681 1.00 21.10 O ATOM 331 CB SER A 20 -10.695 -2.954 -3.460 1.00 22.44 C ATOM 332 OG SER A 20 -10.846 -3.429 -2.133 1.00 61.24 O ATOM 0 H SER A 20 -8.400 -3.823 -3.058 1.00 52.21 H new ATOM 0 HA SER A 20 -10.657 -4.912 -4.345 1.00 71.11 H new ATOM 0 HB2 SER A 20 -10.090 -2.047 -3.458 1.00 22.44 H new ATOM 0 HB3 SER A 20 -11.670 -2.686 -3.866 1.00 22.44 H new ATOM 0 HG SER A 20 -9.978 -3.411 -1.678 1.00 61.24 H new ATOM 338 N LEU A 21 -9.055 -2.496 -6.022 1.00 15.33 N ATOM 339 CA LEU A 21 -8.861 -1.870 -7.346 1.00 31.32 C ATOM 340 C LEU A 21 -8.437 -2.913 -8.400 1.00 3.25 C ATOM 341 O LEU A 21 -8.853 -2.818 -9.553 1.00 12.14 O ATOM 342 CB LEU A 21 -7.807 -0.719 -7.293 1.00 4.01 C ATOM 343 CG LEU A 21 -8.165 0.549 -6.455 1.00 42.22 C ATOM 344 CD1 LEU A 21 -7.077 1.638 -6.596 1.00 71.32 C ATOM 345 CD2 LEU A 21 -9.547 1.101 -6.829 1.00 20.45 C ATOM 0 H LEU A 21 -8.468 -2.096 -5.290 1.00 15.33 H new ATOM 0 HA LEU A 21 -9.822 -1.444 -7.636 1.00 31.32 H new ATOM 0 HB2 LEU A 21 -6.878 -1.131 -6.899 1.00 4.01 H new ATOM 0 HB3 LEU A 21 -7.605 -0.400 -8.316 1.00 4.01 H new ATOM 0 HG LEU A 21 -8.204 0.246 -5.409 1.00 42.22 H new ATOM 0 HD11 LEU A 21 -7.354 2.508 -6.001 1.00 71.32 H new ATOM 0 HD12 LEU A 21 -6.123 1.247 -6.243 1.00 71.32 H new ATOM 0 HD13 LEU A 21 -6.986 1.928 -7.643 1.00 71.32 H new ATOM 0 HD21 LEU A 21 -9.762 1.983 -6.226 1.00 20.45 H new ATOM 0 HD22 LEU A 21 -9.557 1.372 -7.885 1.00 20.45 H new ATOM 0 HD23 LEU A 21 -10.305 0.340 -6.643 1.00 20.45 H new ATOM 357 N LEU A 22 -7.627 -3.913 -7.981 1.00 54.33 N ATOM 358 CA LEU A 22 -7.163 -4.991 -8.875 1.00 32.30 C ATOM 359 C LEU A 22 -8.340 -5.875 -9.339 1.00 62.24 C ATOM 360 O LEU A 22 -8.583 -6.006 -10.551 1.00 10.23 O ATOM 361 CB LEU A 22 -6.076 -5.861 -8.193 1.00 22.13 C ATOM 362 CG LEU A 22 -5.540 -7.060 -9.049 1.00 42.41 C ATOM 363 CD1 LEU A 22 -4.963 -6.578 -10.401 1.00 43.23 C ATOM 364 CD2 LEU A 22 -4.509 -7.886 -8.262 1.00 0.02 C ATOM 0 H LEU A 22 -7.282 -3.992 -7.024 1.00 54.33 H new ATOM 0 HA LEU A 22 -6.721 -4.517 -9.751 1.00 32.30 H new ATOM 0 HB2 LEU A 22 -5.235 -5.220 -7.929 1.00 22.13 H new ATOM 0 HB3 LEU A 22 -6.482 -6.255 -7.261 1.00 22.13 H new ATOM 0 HG LEU A 22 -6.386 -7.710 -9.271 1.00 42.41 H new ATOM 0 HD11 LEU A 22 -4.601 -7.435 -10.968 1.00 43.23 H new ATOM 0 HD12 LEU A 22 -5.743 -6.070 -10.969 1.00 43.23 H new ATOM 0 HD13 LEU A 22 -4.139 -5.888 -10.220 1.00 43.23 H new ATOM 0 HD21 LEU A 22 -4.155 -8.711 -8.881 1.00 0.02 H new ATOM 0 HD22 LEU A 22 -3.667 -7.251 -7.987 1.00 0.02 H new ATOM 0 HD23 LEU A 22 -4.973 -8.283 -7.359 1.00 0.02 H new ATOM 376 N GLU A 23 -9.072 -6.458 -8.360 1.00 60.41 N ATOM 377 CA GLU A 23 -10.225 -7.346 -8.632 1.00 31.52 C ATOM 378 C GLU A 23 -11.273 -6.613 -9.480 1.00 75.40 C ATOM 379 O GLU A 23 -11.658 -7.092 -10.541 1.00 72.45 O ATOM 380 CB GLU A 23 -10.850 -7.843 -7.302 1.00 21.14 C ATOM 381 CG GLU A 23 -9.907 -8.715 -6.454 1.00 22.51 C ATOM 382 CD GLU A 23 -10.536 -9.126 -5.118 1.00 73.01 C ATOM 383 OE1 GLU A 23 -11.228 -10.171 -5.063 1.00 13.44 O ATOM 384 OE2 GLU A 23 -10.368 -8.388 -4.120 1.00 5.10 O ATOM 0 H GLU A 23 -8.881 -6.327 -7.367 1.00 60.41 H new ATOM 0 HA GLU A 23 -9.873 -8.213 -9.191 1.00 31.52 H new ATOM 0 HB2 GLU A 23 -11.158 -6.980 -6.712 1.00 21.14 H new ATOM 0 HB3 GLU A 23 -11.751 -8.413 -7.527 1.00 21.14 H new ATOM 0 HG2 GLU A 23 -9.639 -9.609 -7.017 1.00 22.51 H new ATOM 0 HG3 GLU A 23 -8.983 -8.169 -6.265 1.00 22.51 H new ATOM 391 N LEU A 24 -11.643 -5.405 -9.021 1.00 21.22 N ATOM 392 CA LEU A 24 -12.652 -4.542 -9.662 1.00 33.31 C ATOM 393 C LEU A 24 -12.239 -4.147 -11.092 1.00 34.42 C ATOM 394 O LEU A 24 -13.095 -4.023 -11.962 1.00 14.01 O ATOM 395 CB LEU A 24 -12.913 -3.281 -8.792 1.00 52.14 C ATOM 396 CG LEU A 24 -13.515 -3.549 -7.379 1.00 74.31 C ATOM 397 CD1 LEU A 24 -13.578 -2.254 -6.543 1.00 33.25 C ATOM 398 CD2 LEU A 24 -14.892 -4.236 -7.477 1.00 44.01 C ATOM 0 H LEU A 24 -11.242 -4.993 -8.179 1.00 21.22 H new ATOM 0 HA LEU A 24 -13.578 -5.112 -9.740 1.00 33.31 H new ATOM 0 HB2 LEU A 24 -11.972 -2.745 -8.670 1.00 52.14 H new ATOM 0 HB3 LEU A 24 -13.588 -2.620 -9.335 1.00 52.14 H new ATOM 0 HG LEU A 24 -12.849 -4.237 -6.859 1.00 74.31 H new ATOM 0 HD11 LEU A 24 -14.002 -2.474 -5.563 1.00 33.25 H new ATOM 0 HD12 LEU A 24 -12.573 -1.850 -6.421 1.00 33.25 H new ATOM 0 HD13 LEU A 24 -14.204 -1.522 -7.053 1.00 33.25 H new ATOM 0 HD21 LEU A 24 -15.284 -4.409 -6.475 1.00 44.01 H new ATOM 0 HD22 LEU A 24 -15.579 -3.596 -8.030 1.00 44.01 H new ATOM 0 HD23 LEU A 24 -14.787 -5.189 -7.995 1.00 44.01 H new ATOM 410 N ALA A 25 -10.919 -3.981 -11.329 1.00 35.43 N ATOM 411 CA ALA A 25 -10.377 -3.733 -12.680 1.00 33.30 C ATOM 412 C ALA A 25 -10.689 -4.917 -13.607 1.00 13.43 C ATOM 413 O ALA A 25 -11.218 -4.739 -14.709 1.00 1.32 O ATOM 414 CB ALA A 25 -8.863 -3.486 -12.626 1.00 3.22 C ATOM 0 H ALA A 25 -10.208 -4.015 -10.598 1.00 35.43 H new ATOM 0 HA ALA A 25 -10.856 -2.838 -13.078 1.00 33.30 H new ATOM 0 HB1 ALA A 25 -8.488 -3.306 -13.633 1.00 3.22 H new ATOM 0 HB2 ALA A 25 -8.658 -2.616 -12.002 1.00 3.22 H new ATOM 0 HB3 ALA A 25 -8.367 -4.360 -12.205 1.00 3.22 H new ATOM 420 N GLN A 26 -10.397 -6.129 -13.104 1.00 70.33 N ATOM 421 CA GLN A 26 -10.649 -7.388 -13.836 1.00 72.34 C ATOM 422 C GLN A 26 -12.167 -7.658 -14.002 1.00 70.51 C ATOM 423 O GLN A 26 -12.576 -8.398 -14.899 1.00 13.21 O ATOM 424 CB GLN A 26 -9.965 -8.568 -13.099 1.00 41.15 C ATOM 425 CG GLN A 26 -8.460 -8.346 -12.825 1.00 42.42 C ATOM 426 CD GLN A 26 -7.810 -9.481 -12.033 1.00 43.22 C ATOM 427 OE1 GLN A 26 -8.466 -10.165 -11.252 1.00 44.43 O ATOM 428 NE2 GLN A 26 -6.515 -9.668 -12.201 1.00 0.23 N ATOM 0 H GLN A 26 -9.981 -6.266 -12.183 1.00 70.33 H new ATOM 0 HA GLN A 26 -10.224 -7.291 -14.835 1.00 72.34 H new ATOM 0 HB2 GLN A 26 -10.476 -8.737 -12.151 1.00 41.15 H new ATOM 0 HB3 GLN A 26 -10.087 -9.474 -13.693 1.00 41.15 H new ATOM 0 HG2 GLN A 26 -7.939 -8.232 -13.775 1.00 42.42 H new ATOM 0 HG3 GLN A 26 -8.332 -7.412 -12.278 1.00 42.42 H new ATOM 0 HE21 GLN A 26 -5.996 -9.084 -12.857 1.00 0.23 H new ATOM 0 HE22 GLN A 26 -6.032 -10.397 -11.675 1.00 0.23 H new ATOM 437 N ARG A 27 -12.984 -7.049 -13.122 1.00 2.14 N ATOM 438 CA ARG A 27 -14.462 -7.152 -13.153 1.00 53.54 C ATOM 439 C ARG A 27 -15.097 -6.107 -14.104 1.00 14.32 C ATOM 440 O ARG A 27 -16.313 -6.139 -14.336 1.00 31.43 O ATOM 441 CB ARG A 27 -15.022 -6.983 -11.709 1.00 65.43 C ATOM 442 CG ARG A 27 -14.555 -8.071 -10.713 1.00 73.12 C ATOM 443 CD ARG A 27 -14.964 -7.769 -9.258 1.00 31.32 C ATOM 444 NE ARG A 27 -14.272 -8.647 -8.294 1.00 72.14 N ATOM 445 CZ ARG A 27 -14.717 -8.960 -7.063 1.00 31.22 C ATOM 446 NH1 ARG A 27 -15.876 -8.484 -6.609 1.00 61.40 N ATOM 447 NH2 ARG A 27 -13.983 -9.751 -6.288 1.00 52.33 N ATOM 0 H ARG A 27 -12.637 -6.465 -12.361 1.00 2.14 H new ATOM 0 HA ARG A 27 -14.725 -8.137 -13.539 1.00 53.54 H new ATOM 0 HB2 ARG A 27 -14.723 -6.006 -11.328 1.00 65.43 H new ATOM 0 HB3 ARG A 27 -16.111 -6.989 -11.751 1.00 65.43 H new ATOM 0 HG2 ARG A 27 -14.974 -9.032 -11.011 1.00 73.12 H new ATOM 0 HG3 ARG A 27 -13.470 -8.165 -10.768 1.00 73.12 H new ATOM 0 HD2 ARG A 27 -14.738 -6.728 -9.027 1.00 31.32 H new ATOM 0 HD3 ARG A 27 -16.042 -7.892 -9.152 1.00 31.32 H new ATOM 0 HE ARG A 27 -13.382 -9.050 -8.585 1.00 72.14 H new ATOM 0 HH11 ARG A 27 -16.441 -7.872 -7.197 1.00 61.40 H new ATOM 0 HH12 ARG A 27 -16.198 -8.732 -5.673 1.00 61.40 H new ATOM 0 HH21 ARG A 27 -13.092 -10.114 -6.628 1.00 52.33 H new ATOM 0 HH22 ARG A 27 -14.310 -9.995 -5.353 1.00 52.33 H new ATOM 461 N GLY A 28 -14.269 -5.184 -14.644 1.00 12.05 N ATOM 462 CA GLY A 28 -14.746 -4.111 -15.538 1.00 72.44 C ATOM 463 C GLY A 28 -15.334 -2.911 -14.795 1.00 30.00 C ATOM 464 O GLY A 28 -15.915 -2.012 -15.417 1.00 40.24 O ATOM 0 H GLY A 28 -13.264 -5.163 -14.473 1.00 12.05 H new ATOM 0 HA2 GLY A 28 -13.917 -3.772 -16.160 1.00 72.44 H new ATOM 0 HA3 GLY A 28 -15.502 -4.518 -16.209 1.00 72.44 H new ATOM 468 N GLU A 29 -15.187 -2.911 -13.464 1.00 51.13 N ATOM 469 CA GLU A 29 -15.678 -1.851 -12.570 1.00 22.03 C ATOM 470 C GLU A 29 -14.697 -0.659 -12.517 1.00 42.34 C ATOM 471 O GLU A 29 -14.189 -0.304 -11.444 1.00 14.12 O ATOM 472 CB GLU A 29 -15.900 -2.444 -11.146 1.00 11.35 C ATOM 473 CG GLU A 29 -16.952 -3.566 -11.059 1.00 12.33 C ATOM 474 CD GLU A 29 -18.377 -3.073 -11.367 1.00 21.04 C ATOM 475 OE1 GLU A 29 -18.965 -2.368 -10.519 1.00 4.21 O ATOM 476 OE2 GLU A 29 -18.907 -3.359 -12.453 1.00 60.01 O ATOM 0 H GLU A 29 -14.713 -3.664 -12.966 1.00 51.13 H new ATOM 0 HA GLU A 29 -16.624 -1.474 -12.959 1.00 22.03 H new ATOM 0 HB2 GLU A 29 -14.949 -2.830 -10.778 1.00 11.35 H new ATOM 0 HB3 GLU A 29 -16.197 -1.637 -10.476 1.00 11.35 H new ATOM 0 HG2 GLU A 29 -16.688 -4.360 -11.758 1.00 12.33 H new ATOM 0 HG3 GLU A 29 -16.931 -4.001 -10.060 1.00 12.33 H new ATOM 483 N TRP A 30 -14.466 -0.023 -13.685 1.00 23.33 N ATOM 484 CA TRP A 30 -13.507 1.098 -13.817 1.00 61.41 C ATOM 485 C TRP A 30 -13.985 2.321 -13.023 1.00 13.24 C ATOM 486 O TRP A 30 -13.170 3.104 -12.556 1.00 3.12 O ATOM 487 CB TRP A 30 -13.287 1.492 -15.303 1.00 5.23 C ATOM 488 CG TRP A 30 -13.021 0.316 -16.219 1.00 23.24 C ATOM 489 CD1 TRP A 30 -13.818 -0.126 -17.238 1.00 21.40 C ATOM 490 CD2 TRP A 30 -11.895 -0.577 -16.182 1.00 33.01 C ATOM 491 NE1 TRP A 30 -13.271 -1.228 -17.824 1.00 43.22 N ATOM 492 CE2 TRP A 30 -12.093 -1.527 -17.204 1.00 60.42 C ATOM 493 CE3 TRP A 30 -10.744 -0.671 -15.388 1.00 43.24 C ATOM 494 CZ2 TRP A 30 -11.194 -2.551 -17.450 1.00 43.02 C ATOM 495 CZ3 TRP A 30 -9.848 -1.687 -15.642 1.00 53.12 C ATOM 496 CH2 TRP A 30 -10.081 -2.616 -16.664 1.00 62.13 C ATOM 0 H TRP A 30 -14.934 -0.268 -14.557 1.00 23.33 H new ATOM 0 HA TRP A 30 -12.556 0.756 -13.409 1.00 61.41 H new ATOM 0 HB2 TRP A 30 -14.167 2.026 -15.661 1.00 5.23 H new ATOM 0 HB3 TRP A 30 -12.447 2.184 -15.364 1.00 5.23 H new ATOM 0 HD1 TRP A 30 -14.749 0.333 -17.536 1.00 21.40 H new ATOM 0 HE1 TRP A 30 -13.678 -1.747 -18.602 1.00 43.22 H new ATOM 0 HE3 TRP A 30 -10.563 0.038 -14.594 1.00 43.24 H new ATOM 0 HZ2 TRP A 30 -11.368 -3.272 -18.235 1.00 43.02 H new ATOM 0 HZ3 TRP A 30 -8.952 -1.768 -15.044 1.00 53.12 H new ATOM 0 HH2 TRP A 30 -9.362 -3.403 -16.834 1.00 62.13 H new ATOM 507 N ASP A 31 -15.321 2.454 -12.878 1.00 71.43 N ATOM 508 CA ASP A 31 -15.952 3.535 -12.098 1.00 62.25 C ATOM 509 C ASP A 31 -15.520 3.434 -10.624 1.00 23.22 C ATOM 510 O ASP A 31 -15.093 4.421 -10.031 1.00 0.04 O ATOM 511 CB ASP A 31 -17.501 3.469 -12.195 1.00 13.14 C ATOM 512 CG ASP A 31 -18.029 3.468 -13.637 1.00 32.32 C ATOM 513 OD1 ASP A 31 -18.491 4.521 -14.132 1.00 71.40 O ATOM 514 OD2 ASP A 31 -17.975 2.407 -14.291 1.00 50.52 O ATOM 0 H ASP A 31 -15.992 1.812 -13.300 1.00 71.43 H new ATOM 0 HA ASP A 31 -15.625 4.488 -12.513 1.00 62.25 H new ATOM 0 HB2 ASP A 31 -17.850 2.569 -11.689 1.00 13.14 H new ATOM 0 HB3 ASP A 31 -17.926 4.319 -11.662 1.00 13.14 H new ATOM 519 N LEU A 32 -15.588 2.204 -10.070 1.00 33.14 N ATOM 520 CA LEU A 32 -15.146 1.916 -8.691 1.00 12.23 C ATOM 521 C LEU A 32 -13.639 2.193 -8.514 1.00 53.20 C ATOM 522 O LEU A 32 -13.205 2.550 -7.413 1.00 64.14 O ATOM 523 CB LEU A 32 -15.501 0.452 -8.285 1.00 41.44 C ATOM 524 CG LEU A 32 -17.018 0.163 -8.035 1.00 72.44 C ATOM 525 CD1 LEU A 32 -17.255 -1.315 -7.666 1.00 41.40 C ATOM 526 CD2 LEU A 32 -17.587 1.099 -6.946 1.00 15.34 C ATOM 0 H LEU A 32 -15.949 1.388 -10.564 1.00 33.14 H new ATOM 0 HA LEU A 32 -15.684 2.589 -8.023 1.00 12.23 H new ATOM 0 HB2 LEU A 32 -15.147 -0.218 -9.069 1.00 41.44 H new ATOM 0 HB3 LEU A 32 -14.949 0.202 -7.379 1.00 41.44 H new ATOM 0 HG LEU A 32 -17.549 0.362 -8.966 1.00 72.44 H new ATOM 0 HD11 LEU A 32 -18.319 -1.482 -7.499 1.00 41.40 H new ATOM 0 HD12 LEU A 32 -16.911 -1.953 -8.480 1.00 41.40 H new ATOM 0 HD13 LEU A 32 -16.703 -1.556 -6.758 1.00 41.40 H new ATOM 0 HD21 LEU A 32 -18.643 0.878 -6.791 1.00 15.34 H new ATOM 0 HD22 LEU A 32 -17.044 0.945 -6.014 1.00 15.34 H new ATOM 0 HD23 LEU A 32 -17.476 2.136 -7.263 1.00 15.34 H new ATOM 538 N LEU A 33 -12.852 2.052 -9.610 1.00 71.11 N ATOM 539 CA LEU A 33 -11.433 2.456 -9.620 1.00 64.21 C ATOM 540 C LEU A 33 -11.302 3.984 -9.541 1.00 65.44 C ATOM 541 O LEU A 33 -10.464 4.466 -8.809 1.00 51.31 O ATOM 542 CB LEU A 33 -10.637 1.900 -10.849 1.00 72.22 C ATOM 543 CG LEU A 33 -10.048 0.460 -10.685 1.00 70.52 C ATOM 544 CD1 LEU A 33 -11.152 -0.602 -10.609 1.00 60.43 C ATOM 545 CD2 LEU A 33 -9.020 0.141 -11.794 1.00 10.23 C ATOM 0 H LEU A 33 -13.180 1.662 -10.494 1.00 71.11 H new ATOM 0 HA LEU A 33 -10.984 2.009 -8.733 1.00 64.21 H new ATOM 0 HB2 LEU A 33 -11.296 1.906 -11.717 1.00 72.22 H new ATOM 0 HB3 LEU A 33 -9.817 2.585 -11.067 1.00 72.22 H new ATOM 0 HG LEU A 33 -9.517 0.433 -9.733 1.00 70.52 H new ATOM 0 HD11 LEU A 33 -10.701 -1.588 -10.495 1.00 60.43 H new ATOM 0 HD12 LEU A 33 -11.796 -0.397 -9.754 1.00 60.43 H new ATOM 0 HD13 LEU A 33 -11.744 -0.577 -11.524 1.00 60.43 H new ATOM 0 HD21 LEU A 33 -8.631 -0.867 -11.650 1.00 10.23 H new ATOM 0 HD22 LEU A 33 -9.504 0.207 -12.769 1.00 10.23 H new ATOM 0 HD23 LEU A 33 -8.200 0.857 -11.747 1.00 10.23 H new ATOM 557 N LEU A 34 -12.151 4.721 -10.284 1.00 71.41 N ATOM 558 CA LEU A 34 -12.113 6.206 -10.345 1.00 54.53 C ATOM 559 C LEU A 34 -12.435 6.840 -8.971 1.00 4.43 C ATOM 560 O LEU A 34 -11.762 7.787 -8.545 1.00 32.14 O ATOM 561 CB LEU A 34 -13.109 6.719 -11.422 1.00 44.52 C ATOM 562 CG LEU A 34 -12.839 6.229 -12.880 1.00 24.03 C ATOM 563 CD1 LEU A 34 -13.975 6.639 -13.835 1.00 31.11 C ATOM 564 CD2 LEU A 34 -11.465 6.705 -13.397 1.00 52.11 C ATOM 0 H LEU A 34 -12.884 4.309 -10.861 1.00 71.41 H new ATOM 0 HA LEU A 34 -11.101 6.506 -10.618 1.00 54.53 H new ATOM 0 HB2 LEU A 34 -14.115 6.413 -11.136 1.00 44.52 H new ATOM 0 HB3 LEU A 34 -13.093 7.809 -11.416 1.00 44.52 H new ATOM 0 HG LEU A 34 -12.814 5.140 -12.853 1.00 24.03 H new ATOM 0 HD11 LEU A 34 -13.752 6.281 -14.840 1.00 31.11 H new ATOM 0 HD12 LEU A 34 -14.913 6.202 -13.493 1.00 31.11 H new ATOM 0 HD13 LEU A 34 -14.065 7.725 -13.848 1.00 31.11 H new ATOM 0 HD21 LEU A 34 -11.314 6.344 -14.414 1.00 52.11 H new ATOM 0 HD22 LEU A 34 -11.431 7.794 -13.390 1.00 52.11 H new ATOM 0 HD23 LEU A 34 -10.678 6.313 -12.753 1.00 52.11 H new ATOM 576 N GLN A 35 -13.466 6.295 -8.293 1.00 62.40 N ATOM 577 CA GLN A 35 -13.877 6.747 -6.947 1.00 44.01 C ATOM 578 C GLN A 35 -12.770 6.449 -5.917 1.00 5.44 C ATOM 579 O GLN A 35 -12.243 7.362 -5.270 1.00 75.33 O ATOM 580 CB GLN A 35 -15.230 6.077 -6.514 1.00 21.12 C ATOM 581 CG GLN A 35 -16.510 6.756 -7.066 1.00 41.20 C ATOM 582 CD GLN A 35 -16.725 6.581 -8.573 1.00 30.20 C ATOM 583 OE1 GLN A 35 -17.397 5.652 -9.013 1.00 53.43 O ATOM 584 NE2 GLN A 35 -16.152 7.457 -9.374 1.00 74.44 N ATOM 0 H GLN A 35 -14.035 5.533 -8.661 1.00 62.40 H new ATOM 0 HA GLN A 35 -14.034 7.825 -6.986 1.00 44.01 H new ATOM 0 HB2 GLN A 35 -15.222 5.036 -6.838 1.00 21.12 H new ATOM 0 HB3 GLN A 35 -15.282 6.071 -5.425 1.00 21.12 H new ATOM 0 HG2 GLN A 35 -17.375 6.353 -6.540 1.00 41.20 H new ATOM 0 HG3 GLN A 35 -16.467 7.821 -6.840 1.00 41.20 H new ATOM 0 HE21 GLN A 35 -15.599 8.220 -8.983 1.00 74.44 H new ATOM 0 HE22 GLN A 35 -16.262 7.372 -10.385 1.00 74.44 H new ATOM 593 N GLN A 36 -12.399 5.161 -5.809 1.00 20.30 N ATOM 594 CA GLN A 36 -11.426 4.673 -4.808 1.00 11.02 C ATOM 595 C GLN A 36 -9.972 5.058 -5.153 1.00 73.15 C ATOM 596 O GLN A 36 -9.086 4.856 -4.332 1.00 74.43 O ATOM 597 CB GLN A 36 -11.574 3.142 -4.588 1.00 64.51 C ATOM 598 CG GLN A 36 -12.892 2.719 -3.897 1.00 22.42 C ATOM 599 CD GLN A 36 -13.076 3.306 -2.484 1.00 33.03 C ATOM 600 OE1 GLN A 36 -12.111 3.564 -1.760 1.00 13.13 O ATOM 601 NE2 GLN A 36 -14.317 3.507 -2.072 1.00 44.04 N ATOM 0 H GLN A 36 -12.765 4.425 -6.413 1.00 20.30 H new ATOM 0 HA GLN A 36 -11.660 5.175 -3.869 1.00 11.02 H new ATOM 0 HB2 GLN A 36 -11.507 2.641 -5.554 1.00 64.51 H new ATOM 0 HB3 GLN A 36 -10.735 2.791 -3.988 1.00 64.51 H new ATOM 0 HG2 GLN A 36 -13.732 3.028 -4.520 1.00 22.42 H new ATOM 0 HG3 GLN A 36 -12.924 1.631 -3.834 1.00 22.42 H new ATOM 0 HE21 GLN A 36 -15.100 3.287 -2.687 1.00 44.04 H new ATOM 0 HE22 GLN A 36 -14.490 3.882 -1.139 1.00 44.04 H new ATOM 610 N GLU A 37 -9.737 5.556 -6.385 1.00 60.14 N ATOM 611 CA GLU A 37 -8.429 6.116 -6.817 1.00 33.45 C ATOM 612 C GLU A 37 -7.963 7.202 -5.843 1.00 41.32 C ATOM 613 O GLU A 37 -6.866 7.114 -5.289 1.00 62.14 O ATOM 614 CB GLU A 37 -8.554 6.729 -8.237 1.00 45.11 C ATOM 615 CG GLU A 37 -7.290 7.421 -8.783 1.00 51.51 C ATOM 616 CD GLU A 37 -7.553 8.181 -10.089 1.00 44.31 C ATOM 617 OE1 GLU A 37 -8.364 9.130 -10.070 1.00 4.44 O ATOM 618 OE2 GLU A 37 -6.941 7.864 -11.125 1.00 42.14 O ATOM 0 H GLU A 37 -10.449 5.583 -7.115 1.00 60.14 H new ATOM 0 HA GLU A 37 -7.699 5.306 -6.830 1.00 33.45 H new ATOM 0 HB2 GLU A 37 -8.840 5.938 -8.930 1.00 45.11 H new ATOM 0 HB3 GLU A 37 -9.367 7.454 -8.229 1.00 45.11 H new ATOM 0 HG2 GLU A 37 -6.907 8.114 -8.034 1.00 51.51 H new ATOM 0 HG3 GLU A 37 -6.515 6.674 -8.951 1.00 51.51 H new ATOM 625 N VAL A 38 -8.841 8.202 -5.632 1.00 62.53 N ATOM 626 CA VAL A 38 -8.569 9.339 -4.744 1.00 14.45 C ATOM 627 C VAL A 38 -8.310 8.843 -3.311 1.00 43.31 C ATOM 628 O VAL A 38 -7.312 9.215 -2.705 1.00 75.43 O ATOM 629 CB VAL A 38 -9.753 10.380 -4.749 1.00 64.24 C ATOM 630 CG1 VAL A 38 -9.450 11.581 -3.820 1.00 31.24 C ATOM 631 CG2 VAL A 38 -10.065 10.859 -6.185 1.00 14.35 C ATOM 0 H VAL A 38 -9.759 8.240 -6.075 1.00 62.53 H new ATOM 0 HA VAL A 38 -7.679 9.845 -5.119 1.00 14.45 H new ATOM 0 HB VAL A 38 -10.638 9.875 -4.362 1.00 64.24 H new ATOM 0 HG11 VAL A 38 -10.285 12.281 -3.846 1.00 31.24 H new ATOM 0 HG12 VAL A 38 -9.306 11.225 -2.800 1.00 31.24 H new ATOM 0 HG13 VAL A 38 -8.545 12.084 -4.160 1.00 31.24 H new ATOM 0 HG21 VAL A 38 -10.885 11.576 -6.159 1.00 14.35 H new ATOM 0 HG22 VAL A 38 -9.181 11.334 -6.610 1.00 14.35 H new ATOM 0 HG23 VAL A 38 -10.349 10.005 -6.800 1.00 14.35 H new ATOM 641 N SER A 39 -9.199 7.956 -2.827 1.00 14.32 N ATOM 642 CA SER A 39 -9.133 7.377 -1.474 1.00 21.43 C ATOM 643 C SER A 39 -7.769 6.692 -1.216 1.00 74.00 C ATOM 644 O SER A 39 -7.018 7.089 -0.318 1.00 75.32 O ATOM 645 CB SER A 39 -10.284 6.357 -1.302 1.00 74.22 C ATOM 646 OG SER A 39 -11.530 6.937 -1.645 1.00 55.22 O ATOM 0 H SER A 39 -9.992 7.618 -3.372 1.00 14.32 H new ATOM 0 HA SER A 39 -9.238 8.182 -0.746 1.00 21.43 H new ATOM 0 HB2 SER A 39 -10.099 5.485 -1.930 1.00 74.22 H new ATOM 0 HB3 SER A 39 -10.313 6.007 -0.270 1.00 74.22 H new ATOM 0 HG SER A 39 -12.242 6.274 -1.530 1.00 55.22 H new ATOM 652 N TYR A 40 -7.455 5.724 -2.089 1.00 44.02 N ATOM 653 CA TYR A 40 -6.286 4.842 -1.983 1.00 63.15 C ATOM 654 C TYR A 40 -4.962 5.621 -2.089 1.00 44.44 C ATOM 655 O TYR A 40 -4.084 5.484 -1.229 1.00 44.45 O ATOM 656 CB TYR A 40 -6.373 3.750 -3.094 1.00 53.51 C ATOM 657 CG TYR A 40 -5.118 2.886 -3.255 1.00 33.11 C ATOM 658 CD1 TYR A 40 -4.609 2.156 -2.190 1.00 10.21 C ATOM 659 CD2 TYR A 40 -4.435 2.812 -4.472 1.00 21.02 C ATOM 660 CE1 TYR A 40 -3.473 1.401 -2.331 1.00 45.41 C ATOM 661 CE2 TYR A 40 -3.295 2.046 -4.612 1.00 70.22 C ATOM 662 CZ TYR A 40 -2.819 1.346 -3.531 1.00 10.03 C ATOM 663 OH TYR A 40 -1.682 0.576 -3.645 1.00 71.13 O ATOM 0 H TYR A 40 -8.025 5.528 -2.912 1.00 44.02 H new ATOM 0 HA TYR A 40 -6.295 4.373 -0.999 1.00 63.15 H new ATOM 0 HB2 TYR A 40 -7.219 3.098 -2.876 1.00 53.51 H new ATOM 0 HB3 TYR A 40 -6.584 4.238 -4.046 1.00 53.51 H new ATOM 0 HD1 TYR A 40 -5.115 2.183 -1.236 1.00 10.21 H new ATOM 0 HD2 TYR A 40 -4.807 3.366 -5.321 1.00 21.02 H new ATOM 0 HE1 TYR A 40 -3.091 0.845 -1.487 1.00 45.41 H new ATOM 0 HE2 TYR A 40 -2.783 1.998 -5.562 1.00 70.22 H new ATOM 0 HH TYR A 40 -1.116 0.933 -4.361 1.00 71.13 H new ATOM 673 N LEU A 41 -4.841 6.430 -3.149 1.00 54.53 N ATOM 674 CA LEU A 41 -3.591 7.122 -3.488 1.00 13.23 C ATOM 675 C LEU A 41 -3.293 8.267 -2.508 1.00 50.23 C ATOM 676 O LEU A 41 -2.141 8.438 -2.093 1.00 53.24 O ATOM 677 CB LEU A 41 -3.632 7.596 -4.957 1.00 31.11 C ATOM 678 CG LEU A 41 -3.744 6.442 -6.008 1.00 71.24 C ATOM 679 CD1 LEU A 41 -3.817 6.992 -7.431 1.00 31.42 C ATOM 680 CD2 LEU A 41 -2.590 5.424 -5.872 1.00 30.05 C ATOM 0 H LEU A 41 -5.606 6.623 -3.795 1.00 54.53 H new ATOM 0 HA LEU A 41 -2.764 6.419 -3.388 1.00 13.23 H new ATOM 0 HB2 LEU A 41 -4.479 8.270 -5.085 1.00 31.11 H new ATOM 0 HB3 LEU A 41 -2.731 8.173 -5.165 1.00 31.11 H new ATOM 0 HG LEU A 41 -4.674 5.913 -5.800 1.00 71.24 H new ATOM 0 HD11 LEU A 41 -3.894 6.165 -8.137 1.00 31.42 H new ATOM 0 HD12 LEU A 41 -4.692 7.635 -7.528 1.00 31.42 H new ATOM 0 HD13 LEU A 41 -2.917 7.569 -7.645 1.00 31.42 H new ATOM 0 HD21 LEU A 41 -2.706 4.640 -6.620 1.00 30.05 H new ATOM 0 HD22 LEU A 41 -1.637 5.932 -6.023 1.00 30.05 H new ATOM 0 HD23 LEU A 41 -2.611 4.981 -4.876 1.00 30.05 H new ATOM 692 N GLN A 42 -4.341 9.009 -2.097 1.00 73.11 N ATOM 693 CA GLN A 42 -4.207 10.048 -1.059 1.00 60.44 C ATOM 694 C GLN A 42 -3.707 9.408 0.257 1.00 65.33 C ATOM 695 O GLN A 42 -2.794 9.943 0.894 1.00 5.45 O ATOM 696 CB GLN A 42 -5.554 10.785 -0.848 1.00 2.33 C ATOM 697 CG GLN A 42 -5.532 11.921 0.188 1.00 71.45 C ATOM 698 CD GLN A 42 -6.897 12.601 0.349 1.00 21.11 C ATOM 699 OE1 GLN A 42 -7.206 13.588 -0.318 1.00 22.52 O ATOM 700 NE2 GLN A 42 -7.726 12.070 1.225 1.00 63.42 N ATOM 0 H GLN A 42 -5.286 8.908 -2.467 1.00 73.11 H new ATOM 0 HA GLN A 42 -3.475 10.787 -1.385 1.00 60.44 H new ATOM 0 HB2 GLN A 42 -5.877 11.195 -1.805 1.00 2.33 H new ATOM 0 HB3 GLN A 42 -6.304 10.055 -0.545 1.00 2.33 H new ATOM 0 HG2 GLN A 42 -5.213 11.523 1.151 1.00 71.45 H new ATOM 0 HG3 GLN A 42 -4.793 12.665 -0.110 1.00 71.45 H new ATOM 0 HE21 GLN A 42 -7.443 11.252 1.764 1.00 63.42 H new ATOM 0 HE22 GLN A 42 -8.651 12.477 1.364 1.00 63.42 H new ATOM 709 N SER A 43 -4.273 8.226 0.611 1.00 13.33 N ATOM 710 CA SER A 43 -3.857 7.453 1.806 1.00 10.41 C ATOM 711 C SER A 43 -2.362 7.083 1.767 1.00 42.44 C ATOM 712 O SER A 43 -1.626 7.423 2.696 1.00 51.44 O ATOM 713 CB SER A 43 -4.701 6.169 1.957 1.00 73.12 C ATOM 714 OG SER A 43 -6.059 6.477 2.160 1.00 64.40 O ATOM 0 H SER A 43 -5.025 7.786 0.080 1.00 13.33 H new ATOM 0 HA SER A 43 -4.025 8.099 2.667 1.00 10.41 H new ATOM 0 HB2 SER A 43 -4.594 5.553 1.064 1.00 73.12 H new ATOM 0 HB3 SER A 43 -4.329 5.582 2.796 1.00 73.12 H new ATOM 0 HG SER A 43 -6.510 6.555 1.293 1.00 64.40 H new ATOM 720 N ILE A 44 -1.927 6.418 0.670 1.00 51.10 N ATOM 721 CA ILE A 44 -0.565 5.846 0.567 1.00 71.33 C ATOM 722 C ILE A 44 0.509 6.951 0.633 1.00 50.34 C ATOM 723 O ILE A 44 1.517 6.811 1.359 1.00 64.15 O ATOM 724 CB ILE A 44 -0.397 4.926 -0.716 1.00 32.04 C ATOM 725 CG1 ILE A 44 0.948 4.132 -0.684 1.00 23.41 C ATOM 726 CG2 ILE A 44 -0.536 5.714 -2.039 1.00 45.12 C ATOM 727 CD1 ILE A 44 1.116 3.146 -1.832 1.00 71.14 C ATOM 0 H ILE A 44 -2.503 6.265 -0.158 1.00 51.10 H new ATOM 0 HA ILE A 44 -0.419 5.197 1.430 1.00 71.33 H new ATOM 0 HB ILE A 44 -1.218 4.209 -0.683 1.00 32.04 H new ATOM 0 HG12 ILE A 44 1.776 4.840 -0.704 1.00 23.41 H new ATOM 0 HG13 ILE A 44 1.015 3.590 0.259 1.00 23.41 H new ATOM 0 HG21 ILE A 44 -0.412 5.034 -2.882 1.00 45.12 H new ATOM 0 HG22 ILE A 44 -1.523 6.175 -2.086 1.00 45.12 H new ATOM 0 HG23 ILE A 44 0.229 6.489 -2.083 1.00 45.12 H new ATOM 0 HD11 ILE A 44 2.075 2.636 -1.736 1.00 71.14 H new ATOM 0 HD12 ILE A 44 0.310 2.412 -1.802 1.00 71.14 H new ATOM 0 HD13 ILE A 44 1.083 3.683 -2.780 1.00 71.14 H new ATOM 739 N GLU A 45 0.239 8.079 -0.069 1.00 62.43 N ATOM 740 CA GLU A 45 1.097 9.273 -0.029 1.00 3.41 C ATOM 741 C GLU A 45 1.214 9.794 1.414 1.00 60.11 C ATOM 742 O GLU A 45 2.326 9.945 1.921 1.00 52.30 O ATOM 743 CB GLU A 45 0.531 10.370 -0.960 1.00 53.25 C ATOM 744 CG GLU A 45 0.518 9.992 -2.456 1.00 12.32 C ATOM 745 CD GLU A 45 1.916 9.915 -3.102 1.00 45.23 C ATOM 746 OE1 GLU A 45 2.415 10.960 -3.564 1.00 24.43 O ATOM 747 OE2 GLU A 45 2.512 8.812 -3.169 1.00 13.40 O ATOM 0 H GLU A 45 -0.577 8.179 -0.673 1.00 62.43 H new ATOM 0 HA GLU A 45 2.093 9.004 -0.381 1.00 3.41 H new ATOM 0 HB2 GLU A 45 -0.487 10.605 -0.648 1.00 53.25 H new ATOM 0 HB3 GLU A 45 1.121 11.278 -0.832 1.00 53.25 H new ATOM 0 HG2 GLU A 45 0.024 9.027 -2.571 1.00 12.32 H new ATOM 0 HG3 GLU A 45 -0.081 10.724 -2.999 1.00 12.32 H new ATOM 754 N THR A 46 0.043 9.976 2.072 1.00 14.20 N ATOM 755 CA THR A 46 -0.058 10.506 3.448 1.00 50.52 C ATOM 756 C THR A 46 0.730 9.648 4.471 1.00 21.24 C ATOM 757 O THR A 46 1.339 10.191 5.389 1.00 60.25 O ATOM 758 CB THR A 46 -1.562 10.659 3.883 1.00 64.33 C ATOM 759 OG1 THR A 46 -2.231 11.566 2.985 1.00 22.35 O ATOM 760 CG2 THR A 46 -1.730 11.182 5.325 1.00 24.41 C ATOM 0 H THR A 46 -0.863 9.757 1.657 1.00 14.20 H new ATOM 0 HA THR A 46 0.402 11.494 3.441 1.00 50.52 H new ATOM 0 HB THR A 46 -2.000 9.662 3.843 1.00 64.33 H new ATOM 0 HG1 THR A 46 -2.490 11.088 2.170 1.00 22.35 H new ATOM 0 HG21 THR A 46 -2.791 11.264 5.561 1.00 24.41 H new ATOM 0 HG22 THR A 46 -1.256 10.490 6.021 1.00 24.41 H new ATOM 0 HG23 THR A 46 -1.262 12.162 5.413 1.00 24.41 H new ATOM 768 N VAL A 47 0.741 8.317 4.281 1.00 61.30 N ATOM 769 CA VAL A 47 1.496 7.393 5.157 1.00 63.41 C ATOM 770 C VAL A 47 3.009 7.604 4.972 1.00 44.25 C ATOM 771 O VAL A 47 3.751 7.721 5.955 1.00 33.24 O ATOM 772 CB VAL A 47 1.110 5.890 4.887 1.00 35.14 C ATOM 773 CG1 VAL A 47 1.918 4.909 5.783 1.00 14.44 C ATOM 774 CG2 VAL A 47 -0.407 5.693 5.087 1.00 34.14 C ATOM 0 H VAL A 47 0.235 7.852 3.527 1.00 61.30 H new ATOM 0 HA VAL A 47 1.229 7.618 6.190 1.00 63.41 H new ATOM 0 HB VAL A 47 1.368 5.659 3.853 1.00 35.14 H new ATOM 0 HG11 VAL A 47 1.619 3.884 5.562 1.00 14.44 H new ATOM 0 HG12 VAL A 47 2.983 5.027 5.583 1.00 14.44 H new ATOM 0 HG13 VAL A 47 1.719 5.127 6.832 1.00 14.44 H new ATOM 0 HG21 VAL A 47 -0.667 4.651 4.899 1.00 34.14 H new ATOM 0 HG22 VAL A 47 -0.676 5.955 6.110 1.00 34.14 H new ATOM 0 HG23 VAL A 47 -0.952 6.334 4.394 1.00 34.14 H new ATOM 784 N MET A 48 3.440 7.702 3.698 1.00 42.11 N ATOM 785 CA MET A 48 4.877 7.859 3.353 1.00 54.02 C ATOM 786 C MET A 48 5.408 9.294 3.608 1.00 73.22 C ATOM 787 O MET A 48 6.627 9.504 3.596 1.00 61.11 O ATOM 788 CB MET A 48 5.117 7.445 1.884 1.00 1.11 C ATOM 789 CG MET A 48 4.796 5.974 1.589 1.00 53.34 C ATOM 790 SD MET A 48 5.059 5.550 -0.144 1.00 15.22 S ATOM 791 CE MET A 48 3.910 6.666 -0.951 1.00 52.51 C ATOM 0 H MET A 48 2.819 7.676 2.889 1.00 42.11 H new ATOM 0 HA MET A 48 5.438 7.200 4.016 1.00 54.02 H new ATOM 0 HB2 MET A 48 4.509 8.076 1.236 1.00 1.11 H new ATOM 0 HB3 MET A 48 6.159 7.637 1.629 1.00 1.11 H new ATOM 0 HG2 MET A 48 5.419 5.336 2.215 1.00 53.34 H new ATOM 0 HG3 MET A 48 3.759 5.770 1.857 1.00 53.34 H new ATOM 0 HE1 MET A 48 3.306 6.110 -1.668 1.00 52.51 H new ATOM 0 HE2 MET A 48 3.260 7.121 -0.204 1.00 52.51 H new ATOM 0 HE3 MET A 48 4.465 7.446 -1.472 1.00 52.51 H new ATOM 801 N GLU A 49 4.502 10.276 3.807 1.00 32.04 N ATOM 802 CA GLU A 49 4.890 11.651 4.209 1.00 21.13 C ATOM 803 C GLU A 49 5.399 11.680 5.663 1.00 3.35 C ATOM 804 O GLU A 49 6.309 12.449 6.002 1.00 21.31 O ATOM 805 CB GLU A 49 3.692 12.629 4.094 1.00 72.45 C ATOM 806 CG GLU A 49 3.161 12.874 2.671 1.00 21.34 C ATOM 807 CD GLU A 49 1.952 13.831 2.645 1.00 10.13 C ATOM 808 OE1 GLU A 49 1.920 14.759 1.812 1.00 55.24 O ATOM 809 OE2 GLU A 49 1.037 13.663 3.484 1.00 33.23 O ATOM 0 H GLU A 49 3.497 10.145 3.696 1.00 32.04 H new ATOM 0 HA GLU A 49 5.685 11.964 3.532 1.00 21.13 H new ATOM 0 HB2 GLU A 49 2.875 12.246 4.705 1.00 72.45 H new ATOM 0 HB3 GLU A 49 3.988 13.587 4.521 1.00 72.45 H new ATOM 0 HG2 GLU A 49 3.960 13.287 2.055 1.00 21.34 H new ATOM 0 HG3 GLU A 49 2.875 11.921 2.225 1.00 21.34 H new ATOM 816 N LYS A 50 4.784 10.838 6.507 1.00 4.03 N ATOM 817 CA LYS A 50 5.032 10.807 7.963 1.00 4.13 C ATOM 818 C LYS A 50 6.165 9.829 8.298 1.00 0.33 C ATOM 819 O LYS A 50 6.576 9.019 7.456 1.00 22.30 O ATOM 820 CB LYS A 50 3.720 10.435 8.734 1.00 61.04 C ATOM 821 CG LYS A 50 2.701 11.602 8.914 1.00 21.44 C ATOM 822 CD LYS A 50 2.223 12.219 7.580 1.00 12.15 C ATOM 823 CE LYS A 50 1.147 13.294 7.746 1.00 3.22 C ATOM 824 NZ LYS A 50 0.670 13.796 6.427 1.00 51.33 N ATOM 0 H LYS A 50 4.094 10.152 6.199 1.00 4.03 H new ATOM 0 HA LYS A 50 5.342 11.802 8.283 1.00 4.13 H new ATOM 0 HB2 LYS A 50 3.225 9.621 8.205 1.00 61.04 H new ATOM 0 HB3 LYS A 50 3.992 10.056 9.719 1.00 61.04 H new ATOM 0 HG2 LYS A 50 1.835 11.235 9.466 1.00 21.44 H new ATOM 0 HG3 LYS A 50 3.159 12.382 9.522 1.00 21.44 H new ATOM 0 HD2 LYS A 50 3.080 12.652 7.064 1.00 12.15 H new ATOM 0 HD3 LYS A 50 1.835 11.425 6.942 1.00 12.15 H new ATOM 0 HE2 LYS A 50 0.306 12.886 8.307 1.00 3.22 H new ATOM 0 HE3 LYS A 50 1.547 14.123 8.330 1.00 3.22 H new ATOM 0 HZ1 LYS A 50 -0.369 13.839 6.427 1.00 51.33 H new ATOM 0 HZ2 LYS A 50 1.056 14.747 6.257 1.00 51.33 H new ATOM 0 HZ3 LYS A 50 0.990 13.153 5.675 1.00 51.33 H new ATOM 838 N GLN A 51 6.660 9.923 9.548 1.00 32.42 N ATOM 839 CA GLN A 51 7.753 9.075 10.047 1.00 33.11 C ATOM 840 C GLN A 51 7.264 7.634 10.266 1.00 0.41 C ATOM 841 O GLN A 51 6.094 7.405 10.619 1.00 25.13 O ATOM 842 CB GLN A 51 8.338 9.642 11.372 1.00 12.54 C ATOM 843 CG GLN A 51 7.351 9.678 12.562 1.00 1.22 C ATOM 844 CD GLN A 51 7.980 10.215 13.851 1.00 33.14 C ATOM 845 OE1 GLN A 51 7.955 11.417 14.117 1.00 61.21 O ATOM 846 NE2 GLN A 51 8.546 9.332 14.665 1.00 72.23 N ATOM 0 H GLN A 51 6.312 10.589 10.237 1.00 32.42 H new ATOM 0 HA GLN A 51 8.541 9.071 9.294 1.00 33.11 H new ATOM 0 HB2 GLN A 51 9.203 9.042 11.655 1.00 12.54 H new ATOM 0 HB3 GLN A 51 8.699 10.654 11.188 1.00 12.54 H new ATOM 0 HG2 GLN A 51 6.495 10.299 12.297 1.00 1.22 H new ATOM 0 HG3 GLN A 51 6.972 8.672 12.742 1.00 1.22 H new ATOM 0 HE21 GLN A 51 8.552 8.342 14.419 1.00 72.23 H new ATOM 0 HE22 GLN A 51 8.975 9.643 15.536 1.00 72.23 H new ATOM 855 N THR A 52 8.162 6.673 10.041 1.00 5.00 N ATOM 856 CA THR A 52 7.924 5.271 10.372 1.00 71.12 C ATOM 857 C THR A 52 8.269 5.052 11.863 1.00 13.22 C ATOM 858 O THR A 52 9.400 5.345 12.261 1.00 64.53 O ATOM 859 CB THR A 52 8.788 4.335 9.476 1.00 72.52 C ATOM 860 OG1 THR A 52 8.556 4.636 8.087 1.00 21.31 O ATOM 861 CG2 THR A 52 8.469 2.857 9.740 1.00 45.23 C ATOM 0 H THR A 52 9.076 6.848 9.623 1.00 5.00 H new ATOM 0 HA THR A 52 6.877 5.029 10.191 1.00 71.12 H new ATOM 0 HB THR A 52 9.836 4.508 9.722 1.00 72.52 H new ATOM 0 HG1 THR A 52 9.398 4.910 7.667 1.00 21.31 H new ATOM 0 HG21 THR A 52 9.089 2.231 9.099 1.00 45.23 H new ATOM 0 HG22 THR A 52 8.674 2.622 10.784 1.00 45.23 H new ATOM 0 HG23 THR A 52 7.417 2.668 9.525 1.00 45.23 H new ATOM 869 N PRO A 53 7.306 4.549 12.712 1.00 43.32 N ATOM 870 CA PRO A 53 7.529 4.364 14.177 1.00 30.20 C ATOM 871 C PRO A 53 8.742 3.445 14.507 1.00 21.14 C ATOM 872 O PRO A 53 9.167 2.663 13.661 1.00 44.50 O ATOM 873 CB PRO A 53 6.188 3.735 14.665 1.00 51.13 C ATOM 874 CG PRO A 53 5.550 3.175 13.429 1.00 50.42 C ATOM 875 CD PRO A 53 5.933 4.126 12.322 1.00 33.52 C ATOM 0 HA PRO A 53 7.778 5.304 14.670 1.00 30.20 H new ATOM 0 HB2 PRO A 53 6.364 2.955 15.406 1.00 51.13 H new ATOM 0 HB3 PRO A 53 5.549 4.483 15.135 1.00 51.13 H new ATOM 0 HG2 PRO A 53 5.908 2.166 13.223 1.00 50.42 H new ATOM 0 HG3 PRO A 53 4.467 3.113 13.538 1.00 50.42 H new ATOM 0 HD2 PRO A 53 5.921 3.638 11.347 1.00 33.52 H new ATOM 0 HD3 PRO A 53 5.250 4.973 12.262 1.00 33.52 H new ATOM 883 N PRO A 54 9.345 3.563 15.733 1.00 11.42 N ATOM 884 CA PRO A 54 10.427 2.651 16.185 1.00 3.14 C ATOM 885 C PRO A 54 9.920 1.214 16.428 1.00 50.24 C ATOM 886 O PRO A 54 10.538 0.242 15.972 1.00 55.02 O ATOM 887 CB PRO A 54 10.940 3.306 17.504 1.00 42.03 C ATOM 888 CG PRO A 54 10.388 4.706 17.488 1.00 61.23 C ATOM 889 CD PRO A 54 9.073 4.610 16.751 1.00 71.12 C ATOM 0 HA PRO A 54 11.209 2.541 15.434 1.00 3.14 H new ATOM 0 HB2 PRO A 54 10.593 2.755 18.378 1.00 42.03 H new ATOM 0 HB3 PRO A 54 12.029 3.312 17.543 1.00 42.03 H new ATOM 0 HG2 PRO A 54 10.244 5.083 18.500 1.00 61.23 H new ATOM 0 HG3 PRO A 54 11.071 5.392 16.986 1.00 61.23 H new ATOM 0 HD2 PRO A 54 8.256 4.327 17.415 1.00 71.12 H new ATOM 0 HD3 PRO A 54 8.796 5.559 16.292 1.00 71.12 H new ATOM 897 N GLY A 55 8.795 1.107 17.168 1.00 43.32 N ATOM 898 CA GLY A 55 8.221 -0.181 17.569 1.00 54.13 C ATOM 899 C GLY A 55 7.516 -0.913 16.434 1.00 25.34 C ATOM 900 O GLY A 55 6.285 -0.924 16.366 1.00 63.41 O ATOM 0 H GLY A 55 8.266 1.913 17.500 1.00 43.32 H new ATOM 0 HA2 GLY A 55 9.014 -0.816 17.963 1.00 54.13 H new ATOM 0 HA3 GLY A 55 7.512 -0.017 18.380 1.00 54.13 H new ATOM 904 N ILE A 56 8.313 -1.522 15.543 1.00 10.23 N ATOM 905 CA ILE A 56 7.809 -2.278 14.379 1.00 35.44 C ATOM 906 C ILE A 56 7.973 -3.794 14.609 1.00 21.42 C ATOM 907 O ILE A 56 7.387 -4.568 13.901 1.00 4.24 O ATOM 908 CB ILE A 56 8.556 -1.862 13.049 1.00 35.11 C ATOM 909 CG1 ILE A 56 8.603 -0.323 12.896 1.00 73.44 C ATOM 910 CG2 ILE A 56 7.899 -2.489 11.787 1.00 10.11 C ATOM 911 CD1 ILE A 56 9.326 0.148 11.651 1.00 42.43 C ATOM 0 H ILE A 56 9.331 -1.506 15.607 1.00 10.23 H new ATOM 0 HA ILE A 56 6.751 -2.039 14.268 1.00 35.44 H new ATOM 0 HB ILE A 56 9.572 -2.248 13.131 1.00 35.11 H new ATOM 0 HG12 ILE A 56 7.583 0.062 12.880 1.00 73.44 H new ATOM 0 HG13 ILE A 56 9.091 0.105 13.772 1.00 73.44 H new ATOM 0 HG21 ILE A 56 8.446 -2.175 10.898 1.00 10.11 H new ATOM 0 HG22 ILE A 56 7.926 -3.576 11.865 1.00 10.11 H new ATOM 0 HG23 ILE A 56 6.864 -2.156 11.712 1.00 10.11 H new ATOM 0 HD11 ILE A 56 9.317 1.237 11.615 1.00 42.43 H new ATOM 0 HD12 ILE A 56 10.357 -0.205 11.673 1.00 42.43 H new ATOM 0 HD13 ILE A 56 8.826 -0.249 10.768 1.00 42.43 H new ATOM 923 N THR A 57 8.767 -4.203 15.613 1.00 73.13 N ATOM 924 CA THR A 57 9.145 -5.633 15.895 1.00 43.42 C ATOM 925 C THR A 57 9.417 -6.504 14.628 1.00 44.33 C ATOM 926 O THR A 57 9.359 -6.022 13.493 1.00 43.15 O ATOM 927 CB THR A 57 8.068 -6.325 16.806 1.00 52.40 C ATOM 928 OG1 THR A 57 6.790 -6.356 16.146 1.00 52.51 O ATOM 929 CG2 THR A 57 7.929 -5.598 18.153 1.00 50.01 C ATOM 0 H THR A 57 9.182 -3.548 16.276 1.00 73.13 H new ATOM 0 HA THR A 57 10.099 -5.572 16.419 1.00 43.42 H new ATOM 0 HB THR A 57 8.404 -7.345 16.992 1.00 52.40 H new ATOM 0 HG1 THR A 57 6.132 -6.792 16.727 1.00 52.51 H new ATOM 0 HG21 THR A 57 7.177 -6.100 18.761 1.00 50.01 H new ATOM 0 HG22 THR A 57 8.886 -5.612 18.675 1.00 50.01 H new ATOM 0 HG23 THR A 57 7.626 -4.566 17.980 1.00 50.01 H new ATOM 937 N ARG A 58 9.723 -7.800 14.803 1.00 43.24 N ATOM 938 CA ARG A 58 9.802 -8.722 13.653 1.00 41.05 C ATOM 939 C ARG A 58 8.369 -9.024 13.173 1.00 44.03 C ATOM 940 O ARG A 58 8.103 -9.072 11.975 1.00 74.50 O ATOM 941 CB ARG A 58 10.567 -10.028 14.006 1.00 71.12 C ATOM 942 CG ARG A 58 11.015 -10.864 12.776 1.00 2.11 C ATOM 943 CD ARG A 58 11.959 -10.065 11.846 1.00 21.23 C ATOM 944 NE ARG A 58 12.501 -10.869 10.724 1.00 30.14 N ATOM 945 CZ ARG A 58 12.268 -10.649 9.411 1.00 62.25 C ATOM 946 NH1 ARG A 58 11.479 -9.651 9.011 1.00 21.22 N ATOM 947 NH2 ARG A 58 12.862 -11.418 8.509 1.00 23.10 N ATOM 0 H ARG A 58 9.916 -8.228 15.708 1.00 43.24 H new ATOM 0 HA ARG A 58 10.368 -8.247 12.852 1.00 41.05 H new ATOM 0 HB2 ARG A 58 11.447 -9.771 14.595 1.00 71.12 H new ATOM 0 HB3 ARG A 58 9.931 -10.647 14.638 1.00 71.12 H new ATOM 0 HG2 ARG A 58 11.521 -11.768 13.116 1.00 2.11 H new ATOM 0 HG3 ARG A 58 10.137 -11.182 12.214 1.00 2.11 H new ATOM 0 HD2 ARG A 58 11.419 -9.209 11.442 1.00 21.23 H new ATOM 0 HD3 ARG A 58 12.788 -9.671 12.434 1.00 21.23 H new ATOM 0 HE ARG A 58 13.102 -11.657 10.964 1.00 30.14 H new ATOM 0 HH11 ARG A 58 11.041 -9.040 9.700 1.00 21.22 H new ATOM 0 HH12 ARG A 58 11.314 -9.499 8.016 1.00 21.22 H new ATOM 0 HH21 ARG A 58 13.487 -12.166 8.809 1.00 23.10 H new ATOM 0 HH22 ARG A 58 12.694 -11.262 7.515 1.00 23.10 H new ATOM 961 N SER A 59 7.450 -9.132 14.154 1.00 44.42 N ATOM 962 CA SER A 59 6.036 -9.452 13.930 1.00 42.23 C ATOM 963 C SER A 59 5.329 -8.375 13.082 1.00 51.34 C ATOM 964 O SER A 59 4.780 -8.679 12.006 1.00 11.15 O ATOM 965 CB SER A 59 5.338 -9.626 15.296 1.00 73.10 C ATOM 966 OG SER A 59 5.994 -10.619 16.077 1.00 72.02 O ATOM 0 H SER A 59 7.679 -8.996 15.139 1.00 44.42 H new ATOM 0 HA SER A 59 5.974 -10.382 13.365 1.00 42.23 H new ATOM 0 HB2 SER A 59 5.337 -8.677 15.832 1.00 73.10 H new ATOM 0 HB3 SER A 59 4.296 -9.907 15.144 1.00 73.10 H new ATOM 0 HG SER A 59 5.537 -10.712 16.939 1.00 72.02 H new ATOM 972 N ILE A 60 5.392 -7.104 13.537 1.00 14.31 N ATOM 973 CA ILE A 60 4.702 -6.000 12.853 1.00 30.41 C ATOM 974 C ILE A 60 5.483 -5.636 11.566 1.00 23.31 C ATOM 975 O ILE A 60 4.878 -5.159 10.611 1.00 72.14 O ATOM 976 CB ILE A 60 4.515 -4.746 13.797 1.00 75.23 C ATOM 977 CG1 ILE A 60 3.724 -5.100 15.095 1.00 30.54 C ATOM 978 CG2 ILE A 60 3.894 -3.540 13.065 1.00 54.43 C ATOM 979 CD1 ILE A 60 3.810 -4.027 16.176 1.00 63.31 C ATOM 0 H ILE A 60 5.911 -6.824 14.369 1.00 14.31 H new ATOM 0 HA ILE A 60 3.698 -6.326 12.581 1.00 30.41 H new ATOM 0 HB ILE A 60 5.517 -4.445 14.102 1.00 75.23 H new ATOM 0 HG12 ILE A 60 2.677 -5.263 14.839 1.00 30.54 H new ATOM 0 HG13 ILE A 60 4.104 -6.039 15.497 1.00 30.54 H new ATOM 0 HG21 ILE A 60 3.788 -2.707 13.760 1.00 54.43 H new ATOM 0 HG22 ILE A 60 4.541 -3.243 12.239 1.00 54.43 H new ATOM 0 HG23 ILE A 60 2.913 -3.815 12.677 1.00 54.43 H new ATOM 0 HD11 ILE A 60 3.237 -4.342 17.048 1.00 63.31 H new ATOM 0 HD12 ILE A 60 4.852 -3.880 16.461 1.00 63.31 H new ATOM 0 HD13 ILE A 60 3.403 -3.091 15.793 1.00 63.31 H new ATOM 991 N GLN A 61 6.837 -5.878 11.534 1.00 65.24 N ATOM 992 CA GLN A 61 7.631 -5.727 10.290 1.00 53.14 C ATOM 993 C GLN A 61 7.070 -6.615 9.173 1.00 42.01 C ATOM 994 O GLN A 61 6.906 -6.155 8.052 1.00 4.05 O ATOM 995 CB GLN A 61 9.112 -6.076 10.533 1.00 4.13 C ATOM 996 CG GLN A 61 10.060 -5.846 9.343 1.00 52.41 C ATOM 997 CD GLN A 61 11.490 -6.292 9.647 1.00 13.54 C ATOM 998 OE1 GLN A 61 11.712 -7.219 10.417 1.00 51.03 O ATOM 999 NE2 GLN A 61 12.463 -5.628 9.073 1.00 51.15 N ATOM 0 H GLN A 61 7.380 -6.172 12.345 1.00 65.24 H new ATOM 0 HA GLN A 61 7.562 -4.684 9.982 1.00 53.14 H new ATOM 0 HB2 GLN A 61 9.470 -5.487 11.377 1.00 4.13 H new ATOM 0 HB3 GLN A 61 9.175 -7.124 10.826 1.00 4.13 H new ATOM 0 HG2 GLN A 61 9.689 -6.390 8.475 1.00 52.41 H new ATOM 0 HG3 GLN A 61 10.060 -4.788 9.080 1.00 52.41 H new ATOM 0 HE21 GLN A 61 12.250 -4.860 8.436 1.00 51.15 H new ATOM 0 HE22 GLN A 61 13.433 -5.879 9.263 1.00 51.15 H new ATOM 1008 N ASP A 62 6.767 -7.880 9.509 1.00 74.10 N ATOM 1009 CA ASP A 62 6.194 -8.844 8.555 1.00 55.44 C ATOM 1010 C ASP A 62 4.776 -8.433 8.129 1.00 15.22 C ATOM 1011 O ASP A 62 4.436 -8.555 6.952 1.00 22.43 O ATOM 1012 CB ASP A 62 6.168 -10.279 9.145 1.00 53.45 C ATOM 1013 CG ASP A 62 7.562 -10.912 9.317 1.00 1.23 C ATOM 1014 OD1 ASP A 62 7.867 -11.446 10.405 1.00 43.24 O ATOM 1015 OD2 ASP A 62 8.349 -10.905 8.346 1.00 72.04 O ATOM 0 H ASP A 62 6.911 -8.261 10.444 1.00 74.10 H new ATOM 0 HA ASP A 62 6.838 -8.841 7.676 1.00 55.44 H new ATOM 0 HB2 ASP A 62 5.670 -10.253 10.114 1.00 53.45 H new ATOM 0 HB3 ASP A 62 5.568 -10.917 8.496 1.00 53.45 H new ATOM 1020 N MET A 63 3.951 -7.964 9.098 1.00 73.41 N ATOM 1021 CA MET A 63 2.553 -7.545 8.819 1.00 14.34 C ATOM 1022 C MET A 63 2.498 -6.334 7.862 1.00 31.05 C ATOM 1023 O MET A 63 1.852 -6.403 6.809 1.00 20.01 O ATOM 1024 CB MET A 63 1.772 -7.256 10.133 1.00 52.22 C ATOM 1025 CG MET A 63 1.580 -8.486 11.039 1.00 2.23 C ATOM 1026 SD MET A 63 0.293 -8.253 12.289 1.00 13.01 S ATOM 1027 CE MET A 63 0.900 -6.848 13.225 1.00 54.43 C ATOM 0 H MET A 63 4.227 -7.866 10.075 1.00 73.41 H new ATOM 0 HA MET A 63 2.063 -8.380 8.318 1.00 14.34 H new ATOM 0 HB2 MET A 63 2.300 -6.485 10.694 1.00 52.22 H new ATOM 0 HB3 MET A 63 0.793 -6.850 9.878 1.00 52.22 H new ATOM 0 HG2 MET A 63 1.327 -9.348 10.422 1.00 2.23 H new ATOM 0 HG3 MET A 63 2.523 -8.715 11.535 1.00 2.23 H new ATOM 0 HE1 MET A 63 0.186 -6.598 14.010 1.00 54.43 H new ATOM 0 HE2 MET A 63 1.861 -7.098 13.674 1.00 54.43 H new ATOM 0 HE3 MET A 63 1.022 -5.993 12.560 1.00 54.43 H new ATOM 1037 N VAL A 64 3.202 -5.244 8.232 1.00 52.15 N ATOM 1038 CA VAL A 64 3.320 -4.026 7.407 1.00 24.45 C ATOM 1039 C VAL A 64 3.945 -4.337 6.031 1.00 61.34 C ATOM 1040 O VAL A 64 3.354 -3.994 5.017 1.00 2.02 O ATOM 1041 CB VAL A 64 4.147 -2.898 8.139 1.00 34.55 C ATOM 1042 CG1 VAL A 64 4.413 -1.693 7.204 1.00 34.23 C ATOM 1043 CG2 VAL A 64 3.425 -2.440 9.434 1.00 62.34 C ATOM 0 H VAL A 64 3.707 -5.185 9.116 1.00 52.15 H new ATOM 0 HA VAL A 64 2.308 -3.654 7.251 1.00 24.45 H new ATOM 0 HB VAL A 64 5.113 -3.322 8.414 1.00 34.55 H new ATOM 0 HG11 VAL A 64 4.984 -0.935 7.740 1.00 34.23 H new ATOM 0 HG12 VAL A 64 4.979 -2.026 6.334 1.00 34.23 H new ATOM 0 HG13 VAL A 64 3.463 -1.268 6.879 1.00 34.23 H new ATOM 0 HG21 VAL A 64 4.012 -1.662 9.922 1.00 62.34 H new ATOM 0 HG22 VAL A 64 2.440 -2.047 9.182 1.00 62.34 H new ATOM 0 HG23 VAL A 64 3.315 -3.289 10.109 1.00 62.34 H new ATOM 1053 N ALA A 65 5.121 -5.013 6.007 1.00 22.11 N ATOM 1054 CA ALA A 65 5.816 -5.364 4.740 1.00 32.23 C ATOM 1055 C ALA A 65 4.986 -6.342 3.896 1.00 12.42 C ATOM 1056 O ALA A 65 5.115 -6.363 2.679 1.00 23.24 O ATOM 1057 CB ALA A 65 7.222 -5.942 4.988 1.00 54.25 C ATOM 0 H ALA A 65 5.608 -5.326 6.847 1.00 22.11 H new ATOM 0 HA ALA A 65 5.930 -4.433 4.184 1.00 32.23 H new ATOM 0 HB1 ALA A 65 7.690 -6.183 4.033 1.00 54.25 H new ATOM 0 HB2 ALA A 65 7.830 -5.206 5.515 1.00 54.25 H new ATOM 0 HB3 ALA A 65 7.142 -6.846 5.592 1.00 54.25 H new ATOM 1063 N GLY A 66 4.137 -7.139 4.564 1.00 5.32 N ATOM 1064 CA GLY A 66 3.203 -8.028 3.881 1.00 32.45 C ATOM 1065 C GLY A 66 2.126 -7.240 3.146 1.00 73.40 C ATOM 1066 O GLY A 66 1.766 -7.568 2.011 1.00 12.33 O ATOM 0 H GLY A 66 4.084 -7.181 5.582 1.00 5.32 H new ATOM 0 HA2 GLY A 66 3.746 -8.654 3.173 1.00 32.45 H new ATOM 0 HA3 GLY A 66 2.737 -8.696 4.606 1.00 32.45 H new ATOM 1070 N TYR A 67 1.644 -6.173 3.801 1.00 61.40 N ATOM 1071 CA TYR A 67 0.675 -5.235 3.221 1.00 51.53 C ATOM 1072 C TYR A 67 1.301 -4.447 2.064 1.00 20.25 C ATOM 1073 O TYR A 67 0.654 -4.269 1.030 1.00 62.33 O ATOM 1074 CB TYR A 67 0.127 -4.287 4.316 1.00 52.20 C ATOM 1075 CG TYR A 67 -0.792 -4.957 5.360 1.00 33.10 C ATOM 1076 CD1 TYR A 67 -1.330 -6.247 5.173 1.00 21.33 C ATOM 1077 CD2 TYR A 67 -1.159 -4.276 6.512 1.00 54.42 C ATOM 1078 CE1 TYR A 67 -2.180 -6.809 6.106 1.00 3.42 C ATOM 1079 CE2 TYR A 67 -2.001 -4.839 7.439 1.00 54.42 C ATOM 1080 CZ TYR A 67 -2.516 -6.098 7.233 1.00 71.12 C ATOM 1081 OH TYR A 67 -3.372 -6.649 8.166 1.00 21.52 O ATOM 0 H TYR A 67 1.918 -5.936 4.754 1.00 61.40 H new ATOM 0 HA TYR A 67 -0.161 -5.805 2.814 1.00 51.53 H new ATOM 0 HB2 TYR A 67 0.970 -3.831 4.836 1.00 52.20 H new ATOM 0 HB3 TYR A 67 -0.424 -3.480 3.834 1.00 52.20 H new ATOM 0 HD1 TYR A 67 -1.073 -6.805 4.285 1.00 21.33 H new ATOM 0 HD2 TYR A 67 -0.774 -3.282 6.683 1.00 54.42 H new ATOM 0 HE1 TYR A 67 -2.578 -7.801 5.951 1.00 3.42 H new ATOM 0 HE2 TYR A 67 -2.260 -4.291 8.333 1.00 54.42 H new ATOM 0 HH TYR A 67 -3.505 -6.016 8.902 1.00 21.52 H new ATOM 1091 N ILE A 68 2.577 -4.019 2.242 1.00 52.21 N ATOM 1092 CA ILE A 68 3.359 -3.349 1.183 1.00 20.41 C ATOM 1093 C ILE A 68 3.512 -4.308 -0.009 1.00 63.24 C ATOM 1094 O ILE A 68 3.339 -3.910 -1.140 1.00 14.22 O ATOM 1095 CB ILE A 68 4.796 -2.876 1.658 1.00 42.02 C ATOM 1096 CG1 ILE A 68 4.705 -1.974 2.931 1.00 4.32 C ATOM 1097 CG2 ILE A 68 5.543 -2.129 0.512 1.00 12.20 C ATOM 1098 CD1 ILE A 68 6.041 -1.476 3.465 1.00 31.04 C ATOM 0 H ILE A 68 3.086 -4.130 3.119 1.00 52.21 H new ATOM 0 HA ILE A 68 2.809 -2.450 0.905 1.00 20.41 H new ATOM 0 HB ILE A 68 5.367 -3.768 1.917 1.00 42.02 H new ATOM 0 HG12 ILE A 68 4.078 -1.112 2.703 1.00 4.32 H new ATOM 0 HG13 ILE A 68 4.202 -2.534 3.719 1.00 4.32 H new ATOM 0 HG21 ILE A 68 6.526 -1.815 0.863 1.00 12.20 H new ATOM 0 HG22 ILE A 68 5.659 -2.796 -0.342 1.00 12.20 H new ATOM 0 HG23 ILE A 68 4.967 -1.253 0.213 1.00 12.20 H new ATOM 0 HD11 ILE A 68 5.873 -0.859 4.348 1.00 31.04 H new ATOM 0 HD12 ILE A 68 6.667 -2.328 3.731 1.00 31.04 H new ATOM 0 HD13 ILE A 68 6.541 -0.884 2.699 1.00 31.04 H new ATOM 1110 N LYS A 69 3.760 -5.601 0.291 1.00 4.34 N ATOM 1111 CA LYS A 69 3.928 -6.651 -0.730 1.00 63.25 C ATOM 1112 C LYS A 69 2.668 -6.745 -1.604 1.00 2.35 C ATOM 1113 O LYS A 69 2.764 -6.834 -2.832 1.00 24.22 O ATOM 1114 CB LYS A 69 4.228 -8.028 -0.065 1.00 10.11 C ATOM 1115 CG LYS A 69 4.595 -9.191 -1.029 1.00 74.33 C ATOM 1116 CD LYS A 69 6.052 -9.147 -1.572 1.00 1.33 C ATOM 1117 CE LYS A 69 6.283 -8.133 -2.711 1.00 14.54 C ATOM 1118 NZ LYS A 69 5.478 -8.447 -3.925 1.00 23.15 N ATOM 0 H LYS A 69 3.849 -5.943 1.248 1.00 4.34 H new ATOM 0 HA LYS A 69 4.777 -6.385 -1.360 1.00 63.25 H new ATOM 0 HB2 LYS A 69 5.048 -7.896 0.640 1.00 10.11 H new ATOM 0 HB3 LYS A 69 3.354 -8.326 0.514 1.00 10.11 H new ATOM 0 HG2 LYS A 69 4.443 -10.137 -0.510 1.00 74.33 H new ATOM 0 HG3 LYS A 69 3.906 -9.177 -1.873 1.00 74.33 H new ATOM 0 HD2 LYS A 69 6.725 -8.908 -0.749 1.00 1.33 H new ATOM 0 HD3 LYS A 69 6.323 -10.141 -1.928 1.00 1.33 H new ATOM 0 HE2 LYS A 69 6.030 -7.133 -2.360 1.00 14.54 H new ATOM 0 HE3 LYS A 69 7.341 -8.121 -2.973 1.00 14.54 H new ATOM 0 HZ1 LYS A 69 5.706 -7.767 -4.678 1.00 23.15 H new ATOM 0 HZ2 LYS A 69 5.700 -9.410 -4.249 1.00 23.15 H new ATOM 0 HZ3 LYS A 69 4.465 -8.383 -3.696 1.00 23.15 H new ATOM 1132 N GLN A 70 1.493 -6.683 -0.936 1.00 14.14 N ATOM 1133 CA GLN A 70 0.179 -6.649 -1.607 1.00 31.12 C ATOM 1134 C GLN A 70 0.070 -5.439 -2.548 1.00 62.24 C ATOM 1135 O GLN A 70 -0.328 -5.604 -3.689 1.00 45.42 O ATOM 1136 CB GLN A 70 -0.978 -6.623 -0.578 1.00 62.52 C ATOM 1137 CG GLN A 70 -0.996 -7.831 0.377 1.00 71.14 C ATOM 1138 CD GLN A 70 -2.117 -7.774 1.417 1.00 1.40 C ATOM 1139 OE1 GLN A 70 -3.199 -7.252 1.158 1.00 41.30 O ATOM 1140 NE2 GLN A 70 -1.862 -8.287 2.613 1.00 11.14 N ATOM 0 H GLN A 70 1.432 -6.655 0.082 1.00 14.14 H new ATOM 0 HA GLN A 70 0.095 -7.561 -2.198 1.00 31.12 H new ATOM 0 HB2 GLN A 70 -0.906 -5.709 0.011 1.00 62.52 H new ATOM 0 HB3 GLN A 70 -1.926 -6.583 -1.114 1.00 62.52 H new ATOM 0 HG2 GLN A 70 -1.101 -8.745 -0.208 1.00 71.14 H new ATOM 0 HG3 GLN A 70 -0.037 -7.891 0.892 1.00 71.14 H new ATOM 0 HE21 GLN A 70 -0.955 -8.715 2.802 1.00 11.14 H new ATOM 0 HE22 GLN A 70 -2.572 -8.254 3.344 1.00 11.14 H new ATOM 1149 N THR A 71 0.484 -4.238 -2.070 1.00 54.24 N ATOM 1150 CA THR A 71 0.401 -2.990 -2.873 1.00 61.24 C ATOM 1151 C THR A 71 1.241 -3.123 -4.153 1.00 12.42 C ATOM 1152 O THR A 71 0.841 -2.662 -5.221 1.00 2.21 O ATOM 1153 CB THR A 71 0.899 -1.720 -2.094 1.00 33.55 C ATOM 1154 OG1 THR A 71 2.331 -1.669 -2.051 1.00 34.42 O ATOM 1155 CG2 THR A 71 0.404 -1.700 -0.661 1.00 32.15 C ATOM 0 H THR A 71 0.877 -4.107 -1.138 1.00 54.24 H new ATOM 0 HA THR A 71 -0.655 -2.855 -3.106 1.00 61.24 H new ATOM 0 HB THR A 71 0.498 -0.863 -2.635 1.00 33.55 H new ATOM 0 HG1 THR A 71 2.676 -2.499 -1.661 1.00 34.42 H new ATOM 0 HG21 THR A 71 0.773 -0.804 -0.161 1.00 32.15 H new ATOM 0 HG22 THR A 71 -0.686 -1.698 -0.653 1.00 32.15 H new ATOM 0 HG23 THR A 71 0.769 -2.584 -0.138 1.00 32.15 H new ATOM 1163 N LEU A 72 2.422 -3.770 -4.002 1.00 62.11 N ATOM 1164 CA LEU A 72 3.384 -3.965 -5.092 1.00 40.52 C ATOM 1165 C LEU A 72 2.766 -4.856 -6.178 1.00 70.24 C ATOM 1166 O LEU A 72 2.660 -4.423 -7.315 1.00 63.12 O ATOM 1167 CB LEU A 72 4.733 -4.538 -4.555 1.00 1.15 C ATOM 1168 CG LEU A 72 5.394 -3.711 -3.403 1.00 44.05 C ATOM 1169 CD1 LEU A 72 6.759 -4.260 -2.981 1.00 62.35 C ATOM 1170 CD2 LEU A 72 5.460 -2.208 -3.733 1.00 74.43 C ATOM 0 H LEU A 72 2.727 -4.169 -3.114 1.00 62.11 H new ATOM 0 HA LEU A 72 3.614 -2.999 -5.542 1.00 40.52 H new ATOM 0 HB2 LEU A 72 4.562 -5.554 -4.200 1.00 1.15 H new ATOM 0 HB3 LEU A 72 5.437 -4.604 -5.384 1.00 1.15 H new ATOM 0 HG LEU A 72 4.739 -3.824 -2.539 1.00 44.05 H new ATOM 0 HD11 LEU A 72 7.167 -3.644 -2.179 1.00 62.35 H new ATOM 0 HD12 LEU A 72 6.646 -5.286 -2.630 1.00 62.35 H new ATOM 0 HD13 LEU A 72 7.438 -4.241 -3.833 1.00 62.35 H new ATOM 0 HD21 LEU A 72 5.926 -1.674 -2.905 1.00 74.43 H new ATOM 0 HD22 LEU A 72 6.049 -2.060 -4.638 1.00 74.43 H new ATOM 0 HD23 LEU A 72 4.452 -1.825 -3.890 1.00 74.43 H new ATOM 1182 N ASP A 73 2.282 -6.058 -5.787 1.00 74.14 N ATOM 1183 CA ASP A 73 1.628 -7.011 -6.723 1.00 61.11 C ATOM 1184 C ASP A 73 0.399 -6.374 -7.400 1.00 14.44 C ATOM 1185 O ASP A 73 0.376 -6.226 -8.621 1.00 4.31 O ATOM 1186 CB ASP A 73 1.203 -8.322 -5.998 1.00 41.11 C ATOM 1187 CG ASP A 73 2.391 -9.211 -5.600 1.00 14.51 C ATOM 1188 OD1 ASP A 73 2.799 -9.203 -4.422 1.00 33.51 O ATOM 1189 OD2 ASP A 73 2.932 -9.919 -6.474 1.00 55.14 O ATOM 0 H ASP A 73 2.331 -6.395 -4.825 1.00 74.14 H new ATOM 0 HA ASP A 73 2.364 -7.259 -7.488 1.00 61.11 H new ATOM 0 HB2 ASP A 73 0.634 -8.066 -5.104 1.00 41.11 H new ATOM 0 HB3 ASP A 73 0.536 -8.889 -6.648 1.00 41.11 H new ATOM 1194 N ASN A 74 -0.572 -5.955 -6.568 1.00 3.44 N ATOM 1195 CA ASN A 74 -1.888 -5.442 -7.008 1.00 24.30 C ATOM 1196 C ASN A 74 -1.750 -4.246 -7.965 1.00 32.10 C ATOM 1197 O ASN A 74 -2.198 -4.310 -9.120 1.00 64.31 O ATOM 1198 CB ASN A 74 -2.754 -5.032 -5.778 1.00 23.42 C ATOM 1199 CG ASN A 74 -3.103 -6.190 -4.837 1.00 44.32 C ATOM 1200 OD1 ASN A 74 -3.258 -7.333 -5.254 1.00 13.31 O ATOM 1201 ND2 ASN A 74 -3.226 -5.896 -3.552 1.00 21.22 N ATOM 0 H ASN A 74 -0.465 -5.962 -5.554 1.00 3.44 H new ATOM 0 HA ASN A 74 -2.381 -6.250 -7.548 1.00 24.30 H new ATOM 0 HB2 ASN A 74 -2.221 -4.268 -5.212 1.00 23.42 H new ATOM 0 HB3 ASN A 74 -3.679 -4.578 -6.135 1.00 23.42 H new ATOM 0 HD21 ASN A 74 -3.455 -6.629 -2.881 1.00 21.22 H new ATOM 0 HD22 ASN A 74 -3.092 -4.936 -3.233 1.00 21.22 H new ATOM 1208 N GLU A 75 -1.074 -3.182 -7.492 1.00 41.34 N ATOM 1209 CA GLU A 75 -0.995 -1.914 -8.225 1.00 54.13 C ATOM 1210 C GLU A 75 -0.061 -2.036 -9.450 1.00 2.24 C ATOM 1211 O GLU A 75 -0.289 -1.346 -10.433 1.00 51.32 O ATOM 1212 CB GLU A 75 -0.563 -0.747 -7.297 1.00 1.30 C ATOM 1213 CG GLU A 75 -0.847 0.663 -7.879 1.00 0.43 C ATOM 1214 CD GLU A 75 -0.373 1.845 -7.011 1.00 14.41 C ATOM 1215 OE1 GLU A 75 -0.318 2.981 -7.541 1.00 74.44 O ATOM 1216 OE2 GLU A 75 -0.046 1.654 -5.821 1.00 2.44 O ATOM 0 H GLU A 75 -0.575 -3.180 -6.602 1.00 41.34 H new ATOM 0 HA GLU A 75 -1.995 -1.683 -8.593 1.00 54.13 H new ATOM 0 HB2 GLU A 75 -1.080 -0.845 -6.343 1.00 1.30 H new ATOM 0 HB3 GLU A 75 0.504 -0.836 -7.092 1.00 1.30 H new ATOM 0 HG2 GLU A 75 -0.369 0.737 -8.856 1.00 0.43 H new ATOM 0 HG3 GLU A 75 -1.920 0.761 -8.041 1.00 0.43 H new ATOM 1223 N GLN A 76 0.971 -2.926 -9.394 1.00 44.12 N ATOM 1224 CA GLN A 76 1.836 -3.215 -10.573 1.00 43.40 C ATOM 1225 C GLN A 76 1.035 -3.929 -11.675 1.00 5.34 C ATOM 1226 O GLN A 76 1.236 -3.666 -12.863 1.00 20.40 O ATOM 1227 CB GLN A 76 3.057 -4.083 -10.188 1.00 53.32 C ATOM 1228 CG GLN A 76 3.966 -4.526 -11.360 1.00 70.44 C ATOM 1229 CD GLN A 76 5.053 -5.530 -10.959 1.00 4.22 C ATOM 1230 OE1 GLN A 76 4.771 -6.390 -9.982 1.00 50.34 O flip ATOM 1231 NE2 GLN A 76 6.136 -5.553 -11.542 1.00 43.02 N flip ATOM 0 H GLN A 76 1.221 -3.449 -8.555 1.00 44.12 H new ATOM 0 HA GLN A 76 2.196 -2.256 -10.946 1.00 43.40 H new ATOM 0 HB2 GLN A 76 3.663 -3.527 -9.473 1.00 53.32 H new ATOM 0 HB3 GLN A 76 2.697 -4.975 -9.675 1.00 53.32 H new ATOM 0 HG2 GLN A 76 3.346 -4.969 -12.140 1.00 70.44 H new ATOM 0 HG3 GLN A 76 4.441 -3.645 -11.792 1.00 70.44 H new ATOM 0 HE21 GLN A 76 6.328 -4.884 -12.287 1.00 43.02 H new ATOM 0 HE22 GLN A 76 6.842 -6.241 -11.280 1.00 43.02 H new ATOM 1240 N LEU A 77 0.136 -4.838 -11.267 1.00 54.33 N ATOM 1241 CA LEU A 77 -0.768 -5.530 -12.198 1.00 3.23 C ATOM 1242 C LEU A 77 -1.753 -4.526 -12.818 1.00 11.34 C ATOM 1243 O LEU A 77 -2.174 -4.701 -13.953 1.00 23.14 O ATOM 1244 CB LEU A 77 -1.506 -6.694 -11.485 1.00 2.20 C ATOM 1245 CG LEU A 77 -0.611 -7.907 -11.076 1.00 65.12 C ATOM 1246 CD1 LEU A 77 -1.402 -8.929 -10.235 1.00 34.21 C ATOM 1247 CD2 LEU A 77 0.032 -8.568 -12.314 1.00 11.41 C ATOM 0 H LEU A 77 0.016 -5.112 -10.292 1.00 54.33 H new ATOM 0 HA LEU A 77 -0.180 -5.968 -13.005 1.00 3.23 H new ATOM 0 HB2 LEU A 77 -1.987 -6.301 -10.589 1.00 2.20 H new ATOM 0 HB3 LEU A 77 -2.299 -7.054 -12.141 1.00 2.20 H new ATOM 0 HG LEU A 77 0.197 -7.528 -10.450 1.00 65.12 H new ATOM 0 HD11 LEU A 77 -0.751 -9.761 -9.967 1.00 34.21 H new ATOM 0 HD12 LEU A 77 -1.769 -8.448 -9.328 1.00 34.21 H new ATOM 0 HD13 LEU A 77 -2.246 -9.302 -10.815 1.00 34.21 H new ATOM 0 HD21 LEU A 77 0.649 -9.409 -11.998 1.00 11.41 H new ATOM 0 HD22 LEU A 77 -0.751 -8.924 -12.984 1.00 11.41 H new ATOM 0 HD23 LEU A 77 0.652 -7.839 -12.835 1.00 11.41 H new ATOM 1259 N LEU A 78 -2.098 -3.465 -12.055 1.00 63.35 N ATOM 1260 CA LEU A 78 -2.866 -2.312 -12.574 1.00 64.15 C ATOM 1261 C LEU A 78 -2.017 -1.431 -13.515 1.00 33.03 C ATOM 1262 O LEU A 78 -2.541 -0.896 -14.485 1.00 63.11 O ATOM 1263 CB LEU A 78 -3.444 -1.473 -11.407 1.00 35.52 C ATOM 1264 CG LEU A 78 -4.515 -2.198 -10.547 1.00 65.02 C ATOM 1265 CD1 LEU A 78 -5.018 -1.301 -9.410 1.00 60.32 C ATOM 1266 CD2 LEU A 78 -5.678 -2.690 -11.428 1.00 52.11 C ATOM 0 H LEU A 78 -1.854 -3.384 -11.068 1.00 63.35 H new ATOM 0 HA LEU A 78 -3.694 -2.708 -13.162 1.00 64.15 H new ATOM 0 HB2 LEU A 78 -2.624 -1.168 -10.758 1.00 35.52 H new ATOM 0 HB3 LEU A 78 -3.883 -0.563 -11.816 1.00 35.52 H new ATOM 0 HG LEU A 78 -4.046 -3.069 -10.090 1.00 65.02 H new ATOM 0 HD11 LEU A 78 -5.766 -1.838 -8.827 1.00 60.32 H new ATOM 0 HD12 LEU A 78 -4.183 -1.028 -8.765 1.00 60.32 H new ATOM 0 HD13 LEU A 78 -5.463 -0.398 -9.828 1.00 60.32 H new ATOM 0 HD21 LEU A 78 -6.417 -3.195 -10.806 1.00 52.11 H new ATOM 0 HD22 LEU A 78 -6.143 -1.839 -11.925 1.00 52.11 H new ATOM 0 HD23 LEU A 78 -5.298 -3.385 -12.177 1.00 52.11 H new ATOM 1278 N LYS A 79 -0.706 -1.297 -13.228 1.00 14.44 N ATOM 1279 CA LYS A 79 0.238 -0.568 -14.112 1.00 3.54 C ATOM 1280 C LYS A 79 0.275 -1.259 -15.497 1.00 61.04 C ATOM 1281 O LYS A 79 0.186 -0.608 -16.544 1.00 22.14 O ATOM 1282 CB LYS A 79 1.671 -0.529 -13.483 1.00 3.43 C ATOM 1283 CG LYS A 79 1.781 0.213 -12.121 1.00 44.34 C ATOM 1284 CD LYS A 79 1.660 1.741 -12.247 1.00 15.33 C ATOM 1285 CE LYS A 79 1.692 2.494 -10.895 1.00 10.33 C ATOM 1286 NZ LYS A 79 0.335 2.620 -10.298 1.00 65.13 N ATOM 0 H LYS A 79 -0.272 -1.684 -12.390 1.00 14.44 H new ATOM 0 HA LYS A 79 -0.104 0.460 -14.228 1.00 3.54 H new ATOM 0 HB2 LYS A 79 2.018 -1.553 -13.349 1.00 3.43 H new ATOM 0 HB3 LYS A 79 2.348 -0.053 -14.192 1.00 3.43 H new ATOM 0 HG2 LYS A 79 1.001 -0.152 -11.453 1.00 44.34 H new ATOM 0 HG3 LYS A 79 2.737 -0.032 -11.659 1.00 44.34 H new ATOM 0 HD2 LYS A 79 2.473 2.108 -12.874 1.00 15.33 H new ATOM 0 HD3 LYS A 79 0.729 1.979 -12.761 1.00 15.33 H new ATOM 0 HE2 LYS A 79 2.346 1.966 -10.201 1.00 10.33 H new ATOM 0 HE3 LYS A 79 2.117 3.487 -11.042 1.00 10.33 H new ATOM 0 HZ1 LYS A 79 0.417 2.709 -9.265 1.00 65.13 H new ATOM 0 HZ2 LYS A 79 -0.136 3.464 -10.682 1.00 65.13 H new ATOM 0 HZ3 LYS A 79 -0.226 1.775 -10.530 1.00 65.13 H new ATOM 1300 N GLY A 80 0.336 -2.603 -15.453 1.00 22.34 N ATOM 1301 CA GLY A 80 0.391 -3.440 -16.645 1.00 52.33 C ATOM 1302 C GLY A 80 -0.946 -3.562 -17.369 1.00 34.32 C ATOM 1303 O GLY A 80 -0.981 -3.673 -18.595 1.00 24.30 O ATOM 0 H GLY A 80 0.348 -3.132 -14.581 1.00 22.34 H new ATOM 0 HA2 GLY A 80 1.131 -3.030 -17.333 1.00 52.33 H new ATOM 0 HA3 GLY A 80 0.734 -4.436 -16.364 1.00 52.33 H new ATOM 1307 N LEU A 81 -2.051 -3.548 -16.604 1.00 40.11 N ATOM 1308 CA LEU A 81 -3.417 -3.694 -17.147 1.00 2.32 C ATOM 1309 C LEU A 81 -3.820 -2.398 -17.873 1.00 3.54 C ATOM 1310 O LEU A 81 -4.082 -2.400 -19.082 1.00 71.25 O ATOM 1311 CB LEU A 81 -4.411 -4.049 -15.986 1.00 65.23 C ATOM 1312 CG LEU A 81 -5.799 -4.697 -16.355 1.00 23.15 C ATOM 1313 CD1 LEU A 81 -6.483 -5.273 -15.091 1.00 64.14 C ATOM 1314 CD2 LEU A 81 -6.748 -3.709 -17.071 1.00 64.33 C ATOM 0 H LEU A 81 -2.025 -3.435 -15.591 1.00 40.11 H new ATOM 0 HA LEU A 81 -3.450 -4.508 -17.871 1.00 2.32 H new ATOM 0 HB2 LEU A 81 -3.898 -4.730 -15.307 1.00 65.23 H new ATOM 0 HB3 LEU A 81 -4.610 -3.133 -15.429 1.00 65.23 H new ATOM 0 HG LEU A 81 -5.591 -5.506 -17.055 1.00 23.15 H new ATOM 0 HD11 LEU A 81 -7.440 -5.716 -15.365 1.00 64.14 H new ATOM 0 HD12 LEU A 81 -5.844 -6.036 -14.647 1.00 64.14 H new ATOM 0 HD13 LEU A 81 -6.647 -4.473 -14.370 1.00 64.14 H new ATOM 0 HD21 LEU A 81 -7.688 -4.210 -17.301 1.00 64.33 H new ATOM 0 HD22 LEU A 81 -6.941 -2.855 -16.422 1.00 64.33 H new ATOM 0 HD23 LEU A 81 -6.285 -3.365 -17.996 1.00 64.33 H new ATOM 1326 N LEU A 82 -3.828 -1.300 -17.105 1.00 72.22 N ATOM 1327 CA LEU A 82 -4.359 0.000 -17.536 1.00 4.42 C ATOM 1328 C LEU A 82 -3.532 0.613 -18.687 1.00 20.42 C ATOM 1329 O LEU A 82 -4.100 1.002 -19.713 1.00 31.34 O ATOM 1330 CB LEU A 82 -4.418 0.967 -16.314 1.00 43.30 C ATOM 1331 CG LEU A 82 -5.344 0.512 -15.130 1.00 42.23 C ATOM 1332 CD1 LEU A 82 -5.143 1.395 -13.879 1.00 54.10 C ATOM 1333 CD2 LEU A 82 -6.826 0.480 -15.551 1.00 24.44 C ATOM 0 H LEU A 82 -3.461 -1.290 -16.154 1.00 72.22 H new ATOM 0 HA LEU A 82 -5.366 -0.155 -17.925 1.00 4.42 H new ATOM 0 HB2 LEU A 82 -3.407 1.100 -15.930 1.00 43.30 H new ATOM 0 HB3 LEU A 82 -4.757 1.943 -16.662 1.00 43.30 H new ATOM 0 HG LEU A 82 -5.051 -0.505 -14.867 1.00 42.23 H new ATOM 0 HD11 LEU A 82 -5.800 1.050 -13.081 1.00 54.10 H new ATOM 0 HD12 LEU A 82 -4.106 1.328 -13.549 1.00 54.10 H new ATOM 0 HD13 LEU A 82 -5.381 2.431 -14.123 1.00 54.10 H new ATOM 0 HD21 LEU A 82 -7.437 0.161 -14.707 1.00 24.44 H new ATOM 0 HD22 LEU A 82 -7.136 1.476 -15.867 1.00 24.44 H new ATOM 0 HD23 LEU A 82 -6.955 -0.219 -16.377 1.00 24.44 H new ATOM 1345 N GLN A 83 -2.191 0.661 -18.536 1.00 15.11 N ATOM 1346 CA GLN A 83 -1.323 1.425 -19.474 1.00 22.54 C ATOM 1347 C GLN A 83 -0.051 0.641 -19.885 1.00 31.32 C ATOM 1348 O GLN A 83 0.839 1.202 -20.538 1.00 71.11 O ATOM 1349 CB GLN A 83 -0.973 2.795 -18.810 1.00 14.44 C ATOM 1350 CG GLN A 83 -0.396 3.878 -19.751 1.00 64.42 C ATOM 1351 CD GLN A 83 -1.330 4.211 -20.921 1.00 70.32 C ATOM 1352 OE1 GLN A 83 -2.192 5.080 -20.816 1.00 4.52 O ATOM 1353 NE2 GLN A 83 -1.161 3.523 -22.048 1.00 23.02 N ATOM 0 H GLN A 83 -1.686 0.189 -17.786 1.00 15.11 H new ATOM 0 HA GLN A 83 -1.867 1.592 -20.404 1.00 22.54 H new ATOM 0 HB2 GLN A 83 -1.875 3.191 -18.343 1.00 14.44 H new ATOM 0 HB3 GLN A 83 -0.253 2.615 -18.011 1.00 14.44 H new ATOM 0 HG2 GLN A 83 -0.203 4.785 -19.178 1.00 64.42 H new ATOM 0 HG3 GLN A 83 0.563 3.538 -20.143 1.00 64.42 H new ATOM 0 HE21 GLN A 83 -0.436 2.807 -22.105 1.00 23.02 H new ATOM 0 HE22 GLN A 83 -1.756 3.712 -22.855 1.00 23.02 H new ATOM 1362 N GLN A 84 0.025 -0.657 -19.504 1.00 12.42 N ATOM 1363 CA GLN A 84 1.138 -1.580 -19.872 1.00 15.23 C ATOM 1364 C GLN A 84 2.499 -1.194 -19.237 1.00 5.33 C ATOM 1365 O GLN A 84 3.516 -1.857 -19.495 1.00 20.21 O ATOM 1366 CB GLN A 84 1.290 -1.722 -21.417 1.00 41.31 C ATOM 1367 CG GLN A 84 0.046 -2.261 -22.150 1.00 30.45 C ATOM 1368 CD GLN A 84 0.213 -2.358 -23.672 1.00 62.14 C ATOM 1369 OE1 GLN A 84 0.979 -1.447 -24.270 1.00 32.44 O flip ATOM 1370 NE2 GLN A 84 -0.365 -3.234 -24.318 1.00 14.13 N flip ATOM 0 H GLN A 84 -0.689 -1.102 -18.927 1.00 12.42 H new ATOM 0 HA GLN A 84 0.853 -2.546 -19.455 1.00 15.23 H new ATOM 0 HB2 GLN A 84 1.543 -0.747 -21.833 1.00 41.31 H new ATOM 0 HB3 GLN A 84 2.130 -2.385 -21.624 1.00 41.31 H new ATOM 0 HG2 GLN A 84 -0.195 -3.249 -21.757 1.00 30.45 H new ATOM 0 HG3 GLN A 84 -0.803 -1.614 -21.928 1.00 30.45 H new ATOM 0 HE21 GLN A 84 -0.947 -3.921 -23.839 1.00 14.13 H new ATOM 0 HE22 GLN A 84 -0.262 -3.272 -25.332 1.00 14.13 H new ATOM 1379 N ARG A 85 2.493 -0.159 -18.376 1.00 30.41 N ATOM 1380 CA ARG A 85 3.711 0.392 -17.764 1.00 21.24 C ATOM 1381 C ARG A 85 3.311 1.333 -16.607 1.00 13.33 C ATOM 1382 O ARG A 85 2.118 1.462 -16.308 1.00 34.14 O ATOM 1383 CB ARG A 85 4.609 1.103 -18.840 1.00 71.35 C ATOM 1384 CG ARG A 85 6.123 1.210 -18.488 1.00 62.22 C ATOM 1385 CD ARG A 85 6.893 -0.132 -18.576 1.00 44.31 C ATOM 1386 NE ARG A 85 6.326 -1.207 -17.728 1.00 22.11 N ATOM 1387 CZ ARG A 85 6.753 -1.556 -16.498 1.00 40.54 C ATOM 1388 NH1 ARG A 85 7.777 -0.937 -15.910 1.00 22.24 N ATOM 1389 NH2 ARG A 85 6.136 -2.537 -15.859 1.00 11.43 N ATOM 0 H ARG A 85 1.639 0.318 -18.086 1.00 30.41 H new ATOM 0 HA ARG A 85 4.317 -0.415 -17.351 1.00 21.24 H new ATOM 0 HB2 ARG A 85 4.511 0.565 -19.783 1.00 71.35 H new ATOM 0 HB3 ARG A 85 4.221 2.108 -19.005 1.00 71.35 H new ATOM 0 HG2 ARG A 85 6.591 1.929 -19.161 1.00 62.22 H new ATOM 0 HG3 ARG A 85 6.222 1.607 -17.478 1.00 62.22 H new ATOM 0 HD2 ARG A 85 6.901 -0.467 -19.613 1.00 44.31 H new ATOM 0 HD3 ARG A 85 7.930 0.036 -18.287 1.00 44.31 H new ATOM 0 HE ARG A 85 5.539 -1.732 -18.111 1.00 22.11 H new ATOM 0 HH11 ARG A 85 8.259 -0.178 -16.392 1.00 22.24 H new ATOM 0 HH12 ARG A 85 8.078 -1.222 -14.978 1.00 22.24 H new ATOM 0 HH21 ARG A 85 5.350 -3.017 -16.298 1.00 11.43 H new ATOM 0 HH22 ARG A 85 6.446 -2.814 -14.928 1.00 11.43 H new ATOM 1403 N LEU A 86 4.299 1.993 -15.973 1.00 14.11 N ATOM 1404 CA LEU A 86 4.113 2.717 -14.707 1.00 30.42 C ATOM 1405 C LEU A 86 3.248 3.993 -14.866 1.00 72.02 C ATOM 1406 O LEU A 86 3.766 5.104 -15.018 1.00 12.44 O ATOM 1407 CB LEU A 86 5.497 3.030 -14.088 1.00 40.33 C ATOM 1408 CG LEU A 86 6.434 1.796 -13.868 1.00 40.02 C ATOM 1409 CD1 LEU A 86 7.808 2.227 -13.311 1.00 71.32 C ATOM 1410 CD2 LEU A 86 5.765 0.728 -12.969 1.00 63.02 C ATOM 0 H LEU A 86 5.254 2.037 -16.330 1.00 14.11 H new ATOM 0 HA LEU A 86 3.555 2.074 -14.027 1.00 30.42 H new ATOM 0 HB2 LEU A 86 6.011 3.743 -14.733 1.00 40.33 H new ATOM 0 HB3 LEU A 86 5.343 3.522 -13.128 1.00 40.33 H new ATOM 0 HG LEU A 86 6.605 1.337 -14.842 1.00 40.02 H new ATOM 0 HD11 LEU A 86 8.435 1.347 -13.169 1.00 71.32 H new ATOM 0 HD12 LEU A 86 8.289 2.906 -14.015 1.00 71.32 H new ATOM 0 HD13 LEU A 86 7.671 2.733 -12.355 1.00 71.32 H new ATOM 0 HD21 LEU A 86 6.444 -0.114 -12.838 1.00 63.02 H new ATOM 0 HD22 LEU A 86 5.535 1.163 -11.997 1.00 63.02 H new ATOM 0 HD23 LEU A 86 4.844 0.382 -13.439 1.00 63.02 H new ATOM 1422 N ASP A 87 1.916 3.797 -14.864 1.00 75.15 N ATOM 1423 CA ASP A 87 0.922 4.878 -14.885 1.00 10.41 C ATOM 1424 C ASP A 87 0.478 5.177 -13.448 1.00 32.44 C ATOM 1425 O ASP A 87 -0.149 4.329 -12.796 1.00 24.03 O ATOM 1426 CB ASP A 87 -0.297 4.467 -15.738 1.00 71.50 C ATOM 1427 CG ASP A 87 -1.339 5.593 -15.873 1.00 1.40 C ATOM 1428 OD1 ASP A 87 -1.210 6.422 -16.800 1.00 4.10 O ATOM 1429 OD2 ASP A 87 -2.267 5.675 -15.038 1.00 44.32 O ATOM 0 H ASP A 87 1.497 2.867 -14.847 1.00 75.15 H new ATOM 0 HA ASP A 87 1.367 5.770 -15.326 1.00 10.41 H new ATOM 0 HB2 ASP A 87 0.043 4.172 -16.731 1.00 71.50 H new ATOM 0 HB3 ASP A 87 -0.770 3.593 -15.290 1.00 71.50 H new ATOM 1434 N GLU A 88 0.752 6.391 -12.977 1.00 22.22 N ATOM 1435 CA GLU A 88 0.578 6.767 -11.565 1.00 21.42 C ATOM 1436 C GLU A 88 -0.863 7.221 -11.249 1.00 41.20 C ATOM 1437 O GLU A 88 -1.107 7.754 -10.158 1.00 63.21 O ATOM 1438 CB GLU A 88 1.606 7.876 -11.215 1.00 64.13 C ATOM 1439 CG GLU A 88 3.062 7.515 -11.571 1.00 54.40 C ATOM 1440 CD GLU A 88 3.523 6.195 -10.936 1.00 55.02 C ATOM 1441 OE1 GLU A 88 3.776 5.202 -11.663 1.00 13.44 O ATOM 1442 OE2 GLU A 88 3.642 6.151 -9.702 1.00 33.23 O ATOM 0 H GLU A 88 1.103 7.149 -13.562 1.00 22.22 H new ATOM 0 HA GLU A 88 0.757 5.887 -10.947 1.00 21.42 H new ATOM 0 HB2 GLU A 88 1.331 8.791 -11.739 1.00 64.13 H new ATOM 0 HB3 GLU A 88 1.546 8.090 -10.148 1.00 64.13 H new ATOM 0 HG2 GLU A 88 3.159 7.444 -12.654 1.00 54.40 H new ATOM 0 HG3 GLU A 88 3.721 8.319 -11.244 1.00 54.40 H new ATOM 1449 N LEU A 89 -1.816 6.987 -12.192 1.00 42.31 N ATOM 1450 CA LEU A 89 -3.233 7.379 -12.030 1.00 20.20 C ATOM 1451 C LEU A 89 -3.339 8.910 -11.760 1.00 73.05 C ATOM 1452 O LEU A 89 -2.610 9.693 -12.391 1.00 72.14 O ATOM 1453 CB LEU A 89 -3.887 6.500 -10.911 1.00 41.34 C ATOM 1454 CG LEU A 89 -4.107 4.984 -11.241 1.00 73.23 C ATOM 1455 CD1 LEU A 89 -4.463 4.167 -9.972 1.00 51.14 C ATOM 1456 CD2 LEU A 89 -5.192 4.810 -12.325 1.00 22.42 C ATOM 0 H LEU A 89 -1.619 6.524 -13.079 1.00 42.31 H new ATOM 0 HA LEU A 89 -3.790 7.195 -12.948 1.00 20.20 H new ATOM 0 HB2 LEU A 89 -3.264 6.566 -10.019 1.00 41.34 H new ATOM 0 HB3 LEU A 89 -4.853 6.936 -10.658 1.00 41.34 H new ATOM 0 HG LEU A 89 -3.166 4.594 -11.629 1.00 73.23 H new ATOM 0 HD11 LEU A 89 -4.608 3.121 -10.242 1.00 51.14 H new ATOM 0 HD12 LEU A 89 -3.651 4.246 -9.249 1.00 51.14 H new ATOM 0 HD13 LEU A 89 -5.380 4.559 -9.532 1.00 51.14 H new ATOM 0 HD21 LEU A 89 -5.327 3.750 -12.537 1.00 22.42 H new ATOM 0 HD22 LEU A 89 -6.132 5.232 -11.970 1.00 22.42 H new ATOM 0 HD23 LEU A 89 -4.884 5.326 -13.234 1.00 22.42 H new ATOM 1468 N SER A 90 -4.225 9.341 -10.846 1.00 61.15 N ATOM 1469 CA SER A 90 -4.317 10.747 -10.408 1.00 34.31 C ATOM 1470 C SER A 90 -3.986 10.830 -8.901 1.00 64.43 C ATOM 1471 O SER A 90 -4.403 9.948 -8.145 1.00 15.54 O ATOM 1472 CB SER A 90 -5.741 11.289 -10.673 1.00 43.15 C ATOM 1473 OG SER A 90 -6.210 10.929 -11.961 1.00 22.32 O ATOM 0 H SER A 90 -4.898 8.726 -10.389 1.00 61.15 H new ATOM 0 HA SER A 90 -3.605 11.353 -10.968 1.00 34.31 H new ATOM 0 HB2 SER A 90 -6.424 10.902 -9.916 1.00 43.15 H new ATOM 0 HB3 SER A 90 -5.740 12.375 -10.577 1.00 43.15 H new ATOM 0 HG SER A 90 -6.530 10.003 -11.946 1.00 22.32 H new ATOM 1479 N SER A 91 -3.251 11.892 -8.492 1.00 32.20 N ATOM 1480 CA SER A 91 -2.887 12.188 -7.076 1.00 54.12 C ATOM 1481 C SER A 91 -1.720 11.296 -6.570 1.00 61.21 C ATOM 1482 O SER A 91 -1.717 10.826 -5.420 1.00 51.43 O ATOM 1483 CB SER A 91 -4.136 12.143 -6.137 1.00 64.35 C ATOM 1484 OG SER A 91 -3.823 12.489 -4.797 1.00 43.34 O ATOM 0 H SER A 91 -2.885 12.583 -9.146 1.00 32.20 H new ATOM 0 HA SER A 91 -2.514 13.212 -7.047 1.00 54.12 H new ATOM 0 HB2 SER A 91 -4.896 12.826 -6.517 1.00 64.35 H new ATOM 0 HB3 SER A 91 -4.567 11.142 -6.159 1.00 64.35 H new ATOM 0 HG SER A 91 -2.939 12.136 -4.566 1.00 43.34 H new ATOM 1490 N LEU A 92 -0.714 11.092 -7.439 1.00 2.44 N ATOM 1491 CA LEU A 92 0.629 10.592 -7.046 1.00 11.01 C ATOM 1492 C LEU A 92 1.700 11.585 -7.528 1.00 70.41 C ATOM 1493 O LEU A 92 1.381 12.591 -8.186 1.00 24.42 O ATOM 1494 CB LEU A 92 0.933 9.166 -7.613 1.00 3.51 C ATOM 1495 CG LEU A 92 0.091 7.979 -7.051 1.00 11.12 C ATOM 1496 CD1 LEU A 92 0.636 6.612 -7.541 1.00 1.35 C ATOM 1497 CD2 LEU A 92 0.007 8.024 -5.515 1.00 55.03 C ATOM 0 H LEU A 92 -0.803 11.268 -8.440 1.00 2.44 H new ATOM 0 HA LEU A 92 0.644 10.510 -5.959 1.00 11.01 H new ATOM 0 HB2 LEU A 92 0.795 9.196 -8.694 1.00 3.51 H new ATOM 0 HB3 LEU A 92 1.986 8.948 -7.432 1.00 3.51 H new ATOM 0 HG LEU A 92 -0.921 8.089 -7.440 1.00 11.12 H new ATOM 0 HD11 LEU A 92 0.025 5.808 -7.130 1.00 1.35 H new ATOM 0 HD12 LEU A 92 0.600 6.575 -8.630 1.00 1.35 H new ATOM 0 HD13 LEU A 92 1.667 6.491 -7.208 1.00 1.35 H new ATOM 0 HD21 LEU A 92 -0.587 7.182 -5.158 1.00 55.03 H new ATOM 0 HD22 LEU A 92 1.011 7.964 -5.094 1.00 55.03 H new ATOM 0 HD23 LEU A 92 -0.462 8.957 -5.203 1.00 55.03 H new ATOM 1509 N ILE A 93 2.969 11.295 -7.190 1.00 1.33 N ATOM 1510 CA ILE A 93 4.133 12.087 -7.625 1.00 4.33 C ATOM 1511 C ILE A 93 4.339 11.914 -9.151 1.00 71.13 C ATOM 1512 O ILE A 93 4.075 10.828 -9.695 1.00 22.32 O ATOM 1513 CB ILE A 93 5.436 11.649 -6.845 1.00 71.53 C ATOM 1514 CG1 ILE A 93 5.165 11.607 -5.306 1.00 22.01 C ATOM 1515 CG2 ILE A 93 6.643 12.563 -7.168 1.00 65.33 C ATOM 1516 CD1 ILE A 93 6.282 11.005 -4.472 1.00 41.32 C ATOM 0 H ILE A 93 3.217 10.499 -6.603 1.00 1.33 H new ATOM 0 HA ILE A 93 3.943 13.137 -7.403 1.00 4.33 H new ATOM 0 HB ILE A 93 5.696 10.646 -7.182 1.00 71.53 H new ATOM 0 HG12 ILE A 93 4.979 12.623 -4.958 1.00 22.01 H new ATOM 0 HG13 ILE A 93 4.253 11.038 -5.129 1.00 22.01 H new ATOM 0 HG21 ILE A 93 7.516 12.224 -6.610 1.00 65.33 H new ATOM 0 HG22 ILE A 93 6.856 12.520 -8.236 1.00 65.33 H new ATOM 0 HG23 ILE A 93 6.408 13.589 -6.886 1.00 65.33 H new ATOM 0 HD11 ILE A 93 5.999 11.021 -3.419 1.00 41.32 H new ATOM 0 HD12 ILE A 93 6.456 9.976 -4.785 1.00 41.32 H new ATOM 0 HD13 ILE A 93 7.194 11.586 -4.612 1.00 41.32 H new ATOM 1528 N GLY A 94 4.798 12.990 -9.820 1.00 45.44 N ATOM 1529 CA GLY A 94 4.960 13.012 -11.272 1.00 34.23 C ATOM 1530 C GLY A 94 6.012 12.031 -11.796 1.00 40.23 C ATOM 1531 O GLY A 94 7.076 11.883 -11.184 1.00 53.14 O ATOM 0 H GLY A 94 5.064 13.862 -9.363 1.00 45.44 H new ATOM 0 HA2 GLY A 94 4.001 12.784 -11.738 1.00 34.23 H new ATOM 0 HA3 GLY A 94 5.233 14.021 -11.582 1.00 34.23 H new ATOM 1535 N GLN A 95 5.682 11.363 -12.922 1.00 43.14 N ATOM 1536 CA GLN A 95 6.590 10.483 -13.685 1.00 33.00 C ATOM 1537 C GLN A 95 7.092 9.264 -12.862 1.00 61.21 C ATOM 1538 O GLN A 95 8.118 9.354 -12.175 1.00 22.52 O ATOM 1539 CB GLN A 95 7.792 11.288 -14.272 1.00 10.33 C ATOM 1540 CG GLN A 95 8.727 10.467 -15.191 1.00 43.33 C ATOM 1541 CD GLN A 95 10.030 11.176 -15.572 1.00 14.41 C ATOM 1542 OE1 GLN A 95 10.591 11.969 -14.666 1.00 15.41 O flip ATOM 1543 NE2 GLN A 95 10.561 10.971 -16.668 1.00 10.05 N flip ATOM 0 H GLN A 95 4.752 11.423 -13.336 1.00 43.14 H new ATOM 0 HA GLN A 95 6.002 10.080 -14.510 1.00 33.00 H new ATOM 0 HB2 GLN A 95 7.404 12.137 -14.835 1.00 10.33 H new ATOM 0 HB3 GLN A 95 8.378 11.694 -13.448 1.00 10.33 H new ATOM 0 HG2 GLN A 95 8.971 9.529 -14.693 1.00 43.33 H new ATOM 0 HG3 GLN A 95 8.187 10.213 -16.103 1.00 43.33 H new ATOM 0 HE21 GLN A 95 10.110 10.358 -17.347 1.00 10.05 H new ATOM 0 HE22 GLN A 95 11.451 11.415 -16.895 1.00 10.05 H new ATOM 1552 N SER A 96 6.306 8.171 -12.908 1.00 70.33 N ATOM 1553 CA SER A 96 6.722 6.804 -12.501 1.00 21.14 C ATOM 1554 C SER A 96 7.455 6.745 -11.136 1.00 52.32 C ATOM 1555 O SER A 96 8.670 6.481 -11.072 1.00 35.11 O ATOM 1556 CB SER A 96 7.564 6.159 -13.632 1.00 30.51 C ATOM 1557 OG SER A 96 6.840 6.114 -14.850 1.00 62.43 O ATOM 0 H SER A 96 5.341 8.209 -13.236 1.00 70.33 H new ATOM 0 HA SER A 96 5.810 6.226 -12.349 1.00 21.14 H new ATOM 0 HB2 SER A 96 8.483 6.727 -13.773 1.00 30.51 H new ATOM 0 HB3 SER A 96 7.855 5.149 -13.342 1.00 30.51 H new ATOM 0 HG SER A 96 7.395 5.704 -15.546 1.00 62.43 H new ATOM 1563 N THR A 97 6.719 7.026 -10.042 1.00 33.30 N ATOM 1564 CA THR A 97 7.298 7.066 -8.687 1.00 14.54 C ATOM 1565 C THR A 97 7.087 5.732 -7.946 1.00 31.31 C ATOM 1566 O THR A 97 7.967 5.300 -7.189 1.00 1.20 O ATOM 1567 CB THR A 97 6.700 8.246 -7.836 1.00 62.20 C ATOM 1568 OG1 THR A 97 7.468 8.422 -6.634 1.00 2.41 O ATOM 1569 CG2 THR A 97 5.216 8.032 -7.448 1.00 71.53 C ATOM 0 H THR A 97 5.720 7.229 -10.072 1.00 33.30 H new ATOM 0 HA THR A 97 8.368 7.234 -8.808 1.00 14.54 H new ATOM 0 HB THR A 97 6.751 9.133 -8.468 1.00 62.20 H new ATOM 0 HG1 THR A 97 7.711 9.366 -6.537 1.00 2.41 H new ATOM 0 HG21 THR A 97 4.867 8.882 -6.862 1.00 71.53 H new ATOM 0 HG22 THR A 97 4.613 7.941 -8.352 1.00 71.53 H new ATOM 0 HG23 THR A 97 5.122 7.121 -6.856 1.00 71.53 H new ATOM 1577 N ARG A 98 5.936 5.071 -8.210 1.00 42.34 N ATOM 1578 CA ARG A 98 5.399 4.026 -7.330 1.00 72.45 C ATOM 1579 C ARG A 98 6.328 2.829 -7.215 1.00 54.35 C ATOM 1580 O ARG A 98 6.679 2.431 -6.107 1.00 75.01 O ATOM 1581 CB ARG A 98 3.977 3.556 -7.766 1.00 64.21 C ATOM 1582 CG ARG A 98 3.234 2.705 -6.698 1.00 34.30 C ATOM 1583 CD ARG A 98 2.669 3.546 -5.525 1.00 44.42 C ATOM 1584 NE ARG A 98 3.682 4.437 -4.907 1.00 31.20 N ATOM 1585 CZ ARG A 98 3.443 5.671 -4.450 1.00 24.44 C ATOM 1586 NH1 ARG A 98 2.224 6.184 -4.469 1.00 22.23 N ATOM 1587 NH2 ARG A 98 4.453 6.444 -4.076 1.00 42.10 N ATOM 0 H ARG A 98 5.363 5.251 -9.034 1.00 42.34 H new ATOM 0 HA ARG A 98 5.319 4.488 -6.346 1.00 72.45 H new ATOM 0 HB2 ARG A 98 3.373 4.432 -8.001 1.00 64.21 H new ATOM 0 HB3 ARG A 98 4.064 2.973 -8.683 1.00 64.21 H new ATOM 0 HG2 ARG A 98 2.416 2.168 -7.177 1.00 34.30 H new ATOM 0 HG3 ARG A 98 3.918 1.955 -6.301 1.00 34.30 H new ATOM 0 HD2 ARG A 98 1.836 4.149 -5.886 1.00 44.42 H new ATOM 0 HD3 ARG A 98 2.271 2.875 -4.764 1.00 44.42 H new ATOM 0 HE ARG A 98 4.634 4.081 -4.824 1.00 31.20 H new ATOM 0 HH11 ARG A 98 1.446 5.636 -4.837 1.00 22.23 H new ATOM 0 HH12 ARG A 98 2.062 7.127 -4.116 1.00 22.23 H new ATOM 0 HH21 ARG A 98 5.410 6.097 -4.137 1.00 42.10 H new ATOM 0 HH22 ARG A 98 4.273 7.385 -3.727 1.00 42.10 H new ATOM 1601 N GLN A 99 6.750 2.305 -8.368 1.00 2.34 N ATOM 1602 CA GLN A 99 7.588 1.107 -8.445 1.00 70.31 C ATOM 1603 C GLN A 99 8.880 1.276 -7.615 1.00 70.31 C ATOM 1604 O GLN A 99 9.122 0.515 -6.668 1.00 40.01 O ATOM 1605 CB GLN A 99 7.915 0.803 -9.931 1.00 74.34 C ATOM 1606 CG GLN A 99 8.752 -0.469 -10.184 1.00 61.44 C ATOM 1607 CD GLN A 99 8.116 -1.744 -9.620 1.00 0.42 C ATOM 1608 OE1 GLN A 99 7.334 -2.421 -10.290 1.00 24.41 O ATOM 1609 NE2 GLN A 99 8.452 -2.078 -8.379 1.00 11.51 N ATOM 0 H GLN A 99 6.519 2.702 -9.279 1.00 2.34 H new ATOM 0 HA GLN A 99 7.041 0.264 -8.021 1.00 70.31 H new ATOM 0 HB2 GLN A 99 6.977 0.714 -10.480 1.00 74.34 H new ATOM 0 HB3 GLN A 99 8.449 1.657 -10.349 1.00 74.34 H new ATOM 0 HG2 GLN A 99 8.898 -0.590 -11.257 1.00 61.44 H new ATOM 0 HG3 GLN A 99 9.739 -0.339 -9.741 1.00 61.44 H new ATOM 0 HE21 GLN A 99 9.102 -1.495 -7.852 1.00 11.51 H new ATOM 0 HE22 GLN A 99 8.060 -2.918 -7.953 1.00 11.51 H new ATOM 1618 N LYS A 100 9.632 2.347 -7.923 1.00 44.33 N ATOM 1619 CA LYS A 100 10.975 2.567 -7.366 1.00 23.24 C ATOM 1620 C LYS A 100 10.904 2.930 -5.871 1.00 71.20 C ATOM 1621 O LYS A 100 11.541 2.280 -5.043 1.00 2.13 O ATOM 1622 CB LYS A 100 11.715 3.678 -8.171 1.00 65.32 C ATOM 1623 CG LYS A 100 13.250 3.707 -7.949 1.00 24.53 C ATOM 1624 CD LYS A 100 13.927 2.392 -8.417 1.00 4.11 C ATOM 1625 CE LYS A 100 15.443 2.369 -8.169 1.00 21.44 C ATOM 1626 NZ LYS A 100 15.779 2.508 -6.724 1.00 45.44 N ATOM 0 H LYS A 100 9.326 3.081 -8.562 1.00 44.33 H new ATOM 0 HA LYS A 100 11.539 1.638 -7.454 1.00 23.24 H new ATOM 0 HB2 LYS A 100 11.515 3.536 -9.233 1.00 65.32 H new ATOM 0 HB3 LYS A 100 11.301 4.648 -7.896 1.00 65.32 H new ATOM 0 HG2 LYS A 100 13.679 4.549 -8.491 1.00 24.53 H new ATOM 0 HG3 LYS A 100 13.461 3.868 -6.892 1.00 24.53 H new ATOM 0 HD2 LYS A 100 13.468 1.550 -7.898 1.00 4.11 H new ATOM 0 HD3 LYS A 100 13.738 2.252 -9.481 1.00 4.11 H new ATOM 0 HE2 LYS A 100 15.857 1.435 -8.548 1.00 21.44 H new ATOM 0 HE3 LYS A 100 15.913 3.177 -8.729 1.00 21.44 H new ATOM 0 HZ1 LYS A 100 16.795 2.335 -6.586 1.00 45.44 H new ATOM 0 HZ2 LYS A 100 15.544 3.469 -6.404 1.00 45.44 H new ATOM 0 HZ3 LYS A 100 15.232 1.816 -6.172 1.00 45.44 H new ATOM 1640 N SER A 101 10.076 3.938 -5.546 1.00 63.44 N ATOM 1641 CA SER A 101 9.985 4.518 -4.194 1.00 53.33 C ATOM 1642 C SER A 101 9.357 3.543 -3.179 1.00 0.33 C ATOM 1643 O SER A 101 9.795 3.478 -2.026 1.00 32.13 O ATOM 1644 CB SER A 101 9.175 5.837 -4.244 1.00 5.10 C ATOM 1645 OG SER A 101 9.086 6.452 -2.967 1.00 71.52 O ATOM 0 H SER A 101 9.447 4.376 -6.218 1.00 63.44 H new ATOM 0 HA SER A 101 11.000 4.722 -3.854 1.00 53.33 H new ATOM 0 HB2 SER A 101 9.645 6.525 -4.947 1.00 5.10 H new ATOM 0 HB3 SER A 101 8.172 5.633 -4.620 1.00 5.10 H new ATOM 0 HG SER A 101 8.569 7.282 -3.039 1.00 71.52 H new ATOM 1651 N LEU A 102 8.337 2.780 -3.617 1.00 45.14 N ATOM 1652 CA LEU A 102 7.568 1.894 -2.721 1.00 13.02 C ATOM 1653 C LEU A 102 8.290 0.542 -2.532 1.00 51.22 C ATOM 1654 O LEU A 102 8.212 -0.056 -1.449 1.00 21.52 O ATOM 1655 CB LEU A 102 6.131 1.699 -3.268 1.00 0.25 C ATOM 1656 CG LEU A 102 5.042 1.254 -2.248 1.00 41.25 C ATOM 1657 CD1 LEU A 102 4.839 2.315 -1.147 1.00 64.24 C ATOM 1658 CD2 LEU A 102 3.722 0.945 -2.978 1.00 4.25 C ATOM 0 H LEU A 102 8.026 2.759 -4.588 1.00 45.14 H new ATOM 0 HA LEU A 102 7.496 2.364 -1.740 1.00 13.02 H new ATOM 0 HB2 LEU A 102 5.810 2.638 -3.719 1.00 0.25 H new ATOM 0 HB3 LEU A 102 6.170 0.959 -4.067 1.00 0.25 H new ATOM 0 HG LEU A 102 5.383 0.342 -1.758 1.00 41.25 H new ATOM 0 HD11 LEU A 102 4.073 1.975 -0.451 1.00 64.24 H new ATOM 0 HD12 LEU A 102 5.776 2.466 -0.610 1.00 64.24 H new ATOM 0 HD13 LEU A 102 4.525 3.255 -1.601 1.00 64.24 H new ATOM 0 HD21 LEU A 102 2.969 0.635 -2.253 1.00 4.25 H new ATOM 0 HD22 LEU A 102 3.377 1.838 -3.500 1.00 4.25 H new ATOM 0 HD23 LEU A 102 3.884 0.143 -3.698 1.00 4.25 H new ATOM 1670 N ASN A 103 8.995 0.055 -3.589 1.00 22.22 N ATOM 1671 CA ASN A 103 9.867 -1.136 -3.455 1.00 24.53 C ATOM 1672 C ASN A 103 11.097 -0.799 -2.578 1.00 23.10 C ATOM 1673 O ASN A 103 11.574 -1.645 -1.812 1.00 61.44 O ATOM 1674 CB ASN A 103 10.299 -1.683 -4.837 1.00 3.00 C ATOM 1675 CG ASN A 103 11.146 -2.959 -4.736 1.00 72.50 C ATOM 1676 OD1 ASN A 103 12.376 -2.910 -4.691 1.00 54.14 O ATOM 1677 ND2 ASN A 103 10.496 -4.109 -4.661 1.00 12.43 N ATOM 0 H ASN A 103 8.976 0.462 -4.524 1.00 22.22 H new ATOM 0 HA ASN A 103 9.295 -1.923 -2.964 1.00 24.53 H new ATOM 0 HB2 ASN A 103 9.411 -1.889 -5.434 1.00 3.00 H new ATOM 0 HB3 ASN A 103 10.867 -0.917 -5.364 1.00 3.00 H new ATOM 0 HD21 ASN A 103 11.014 -4.982 -4.563 1.00 12.43 H new ATOM 0 HD22 ASN A 103 9.477 -4.122 -4.701 1.00 12.43 H new ATOM 1684 N ASN A 104 11.579 0.461 -2.687 1.00 64.30 N ATOM 1685 CA ASN A 104 12.628 1.005 -1.799 1.00 62.52 C ATOM 1686 C ASN A 104 12.129 0.989 -0.348 1.00 44.44 C ATOM 1687 O ASN A 104 12.837 0.523 0.530 1.00 63.03 O ATOM 1688 CB ASN A 104 13.013 2.447 -2.226 1.00 54.34 C ATOM 1689 CG ASN A 104 14.071 3.111 -1.322 1.00 14.45 C ATOM 1690 OD1 ASN A 104 13.744 3.781 -0.338 1.00 72.53 O ATOM 1691 ND2 ASN A 104 15.338 2.938 -1.645 1.00 0.32 N ATOM 0 H ASN A 104 11.252 1.124 -3.390 1.00 64.30 H new ATOM 0 HA ASN A 104 13.519 0.382 -1.878 1.00 62.52 H new ATOM 0 HB2 ASN A 104 13.388 2.423 -3.249 1.00 54.34 H new ATOM 0 HB3 ASN A 104 12.115 3.065 -2.230 1.00 54.34 H new ATOM 0 HD21 ASN A 104 16.072 3.362 -1.077 1.00 0.32 H new ATOM 0 HD22 ASN A 104 15.584 2.380 -2.463 1.00 0.32 H new ATOM 1698 N ALA A 105 10.878 1.456 -0.142 1.00 31.44 N ATOM 1699 CA ALA A 105 10.225 1.493 1.182 1.00 35.22 C ATOM 1700 C ALA A 105 10.173 0.093 1.817 1.00 1.45 C ATOM 1701 O ALA A 105 10.467 -0.066 3.007 1.00 50.51 O ATOM 1702 CB ALA A 105 8.813 2.088 1.058 1.00 40.12 C ATOM 0 H ALA A 105 10.292 1.819 -0.894 1.00 31.44 H new ATOM 0 HA ALA A 105 10.818 2.130 1.838 1.00 35.22 H new ATOM 0 HB1 ALA A 105 8.340 2.111 2.040 1.00 40.12 H new ATOM 0 HB2 ALA A 105 8.879 3.102 0.663 1.00 40.12 H new ATOM 0 HB3 ALA A 105 8.217 1.474 0.383 1.00 40.12 H new ATOM 1708 N TYR A 106 9.832 -0.918 0.986 1.00 15.42 N ATOM 1709 CA TYR A 106 9.828 -2.334 1.397 1.00 34.42 C ATOM 1710 C TYR A 106 11.234 -2.754 1.887 1.00 72.41 C ATOM 1711 O TYR A 106 11.369 -3.308 2.976 1.00 44.21 O ATOM 1712 CB TYR A 106 9.383 -3.243 0.208 1.00 70.32 C ATOM 1713 CG TYR A 106 9.072 -4.718 0.580 1.00 72.13 C ATOM 1714 CD1 TYR A 106 10.081 -5.616 0.970 1.00 64.14 C ATOM 1715 CD2 TYR A 106 7.768 -5.207 0.543 1.00 51.11 C ATOM 1716 CE1 TYR A 106 9.796 -6.926 1.300 1.00 31.52 C ATOM 1717 CE2 TYR A 106 7.487 -6.515 0.870 1.00 1.11 C ATOM 1718 CZ TYR A 106 8.496 -7.367 1.254 1.00 74.02 C ATOM 1719 OH TYR A 106 8.199 -8.671 1.592 1.00 34.53 O ATOM 0 H TYR A 106 9.553 -0.772 0.016 1.00 15.42 H new ATOM 0 HA TYR A 106 9.119 -2.455 2.216 1.00 34.42 H new ATOM 0 HB2 TYR A 106 8.495 -2.806 -0.249 1.00 70.32 H new ATOM 0 HB3 TYR A 106 10.168 -3.234 -0.548 1.00 70.32 H new ATOM 0 HD1 TYR A 106 11.104 -5.273 1.012 1.00 64.14 H new ATOM 0 HD2 TYR A 106 6.963 -4.548 0.253 1.00 51.11 H new ATOM 0 HE1 TYR A 106 10.589 -7.599 1.592 1.00 31.52 H new ATOM 0 HE2 TYR A 106 6.469 -6.873 0.825 1.00 1.11 H new ATOM 0 HH TYR A 106 7.234 -8.819 1.507 1.00 34.53 H new ATOM 1729 N GLY A 107 12.260 -2.474 1.050 1.00 31.40 N ATOM 1730 CA GLY A 107 13.640 -2.909 1.310 1.00 61.21 C ATOM 1731 C GLY A 107 14.255 -2.253 2.538 1.00 72.10 C ATOM 1732 O GLY A 107 14.963 -2.909 3.317 1.00 53.41 O ATOM 0 H GLY A 107 12.150 -1.945 0.185 1.00 31.40 H new ATOM 0 HA2 GLY A 107 13.655 -3.991 1.439 1.00 61.21 H new ATOM 0 HA3 GLY A 107 14.255 -2.683 0.439 1.00 61.21 H new ATOM 1736 N ARG A 108 13.948 -0.954 2.727 1.00 43.14 N ATOM 1737 CA ARG A 108 14.441 -0.175 3.866 1.00 31.24 C ATOM 1738 C ARG A 108 13.762 -0.657 5.151 1.00 10.14 C ATOM 1739 O ARG A 108 14.392 -0.663 6.199 1.00 4.21 O ATOM 1740 CB ARG A 108 14.212 1.351 3.661 1.00 63.54 C ATOM 1741 CG ARG A 108 14.887 1.942 2.399 1.00 61.40 C ATOM 1742 CD ARG A 108 16.408 1.712 2.354 1.00 72.40 C ATOM 1743 NE ARG A 108 16.996 2.101 1.058 1.00 73.34 N ATOM 1744 CZ ARG A 108 17.968 1.424 0.412 1.00 12.31 C ATOM 1745 NH1 ARG A 108 18.493 0.313 0.928 1.00 3.23 N ATOM 1746 NH2 ARG A 108 18.402 1.866 -0.757 1.00 21.15 N ATOM 0 H ARG A 108 13.352 -0.422 2.092 1.00 43.14 H new ATOM 0 HA ARG A 108 15.517 -0.330 3.947 1.00 31.24 H new ATOM 0 HB2 ARG A 108 13.140 1.540 3.605 1.00 63.54 H new ATOM 0 HB3 ARG A 108 14.584 1.882 4.538 1.00 63.54 H new ATOM 0 HG2 ARG A 108 14.434 1.499 1.512 1.00 61.40 H new ATOM 0 HG3 ARG A 108 14.688 3.013 2.357 1.00 61.40 H new ATOM 0 HD2 ARG A 108 16.883 2.283 3.152 1.00 72.40 H new ATOM 0 HD3 ARG A 108 16.620 0.660 2.545 1.00 72.40 H new ATOM 0 HE ARG A 108 16.640 2.948 0.616 1.00 73.34 H new ATOM 0 HH11 ARG A 108 18.161 -0.039 1.826 1.00 3.23 H new ATOM 0 HH12 ARG A 108 19.227 -0.185 0.425 1.00 3.23 H new ATOM 0 HH21 ARG A 108 18.002 2.712 -1.163 1.00 21.15 H new ATOM 0 HH22 ARG A 108 19.137 1.361 -1.253 1.00 21.15 H new ATOM 1760 N LEU A 109 12.467 -1.048 5.059 1.00 12.40 N ATOM 1761 CA LEU A 109 11.719 -1.620 6.201 1.00 73.13 C ATOM 1762 C LEU A 109 12.344 -2.941 6.631 1.00 43.41 C ATOM 1763 O LEU A 109 12.710 -3.110 7.797 1.00 22.31 O ATOM 1764 CB LEU A 109 10.222 -1.827 5.855 1.00 71.41 C ATOM 1765 CG LEU A 109 9.322 -2.409 7.003 1.00 62.23 C ATOM 1766 CD1 LEU A 109 9.340 -1.517 8.264 1.00 22.34 C ATOM 1767 CD2 LEU A 109 7.888 -2.637 6.509 1.00 62.15 C ATOM 0 H LEU A 109 11.919 -0.976 4.202 1.00 12.40 H new ATOM 0 HA LEU A 109 11.777 -0.909 7.025 1.00 73.13 H new ATOM 0 HB2 LEU A 109 9.806 -0.868 5.545 1.00 71.41 H new ATOM 0 HB3 LEU A 109 10.157 -2.495 4.996 1.00 71.41 H new ATOM 0 HG LEU A 109 9.744 -3.373 7.288 1.00 62.23 H new ATOM 0 HD11 LEU A 109 8.704 -1.959 9.031 1.00 22.34 H new ATOM 0 HD12 LEU A 109 10.360 -1.438 8.640 1.00 22.34 H new ATOM 0 HD13 LEU A 109 8.969 -0.524 8.012 1.00 22.34 H new ATOM 0 HD21 LEU A 109 7.283 -3.040 7.321 1.00 62.15 H new ATOM 0 HD22 LEU A 109 7.463 -1.690 6.176 1.00 62.15 H new ATOM 0 HD23 LEU A 109 7.897 -3.343 5.678 1.00 62.15 H new ATOM 1779 N SER A 110 12.502 -3.830 5.634 1.00 11.02 N ATOM 1780 CA SER A 110 12.933 -5.210 5.821 1.00 54.14 C ATOM 1781 C SER A 110 14.356 -5.270 6.407 1.00 42.24 C ATOM 1782 O SER A 110 14.653 -6.139 7.239 1.00 71.24 O ATOM 1783 CB SER A 110 12.850 -5.957 4.468 1.00 34.41 C ATOM 1784 OG SER A 110 13.043 -7.347 4.625 1.00 51.51 O ATOM 0 H SER A 110 12.327 -3.595 4.657 1.00 11.02 H new ATOM 0 HA SER A 110 12.272 -5.699 6.536 1.00 54.14 H new ATOM 0 HB2 SER A 110 11.878 -5.774 4.011 1.00 34.41 H new ATOM 0 HB3 SER A 110 13.602 -5.560 3.787 1.00 34.41 H new ATOM 0 HG SER A 110 12.982 -7.786 3.751 1.00 51.51 H new ATOM 1790 N GLY A 111 15.233 -4.342 5.969 1.00 60.02 N ATOM 1791 CA GLY A 111 16.599 -4.279 6.483 1.00 33.20 C ATOM 1792 C GLY A 111 16.763 -3.358 7.696 1.00 4.14 C ATOM 1793 O GLY A 111 17.101 -3.829 8.785 1.00 75.23 O ATOM 0 H GLY A 111 15.013 -3.636 5.267 1.00 60.02 H new ATOM 0 HA2 GLY A 111 16.921 -5.284 6.756 1.00 33.20 H new ATOM 0 HA3 GLY A 111 17.261 -3.937 5.687 1.00 33.20 H new ATOM 1797 N MET A 112 16.486 -2.045 7.518 1.00 53.03 N ATOM 1798 CA MET A 112 16.849 -1.019 8.532 1.00 1.00 C ATOM 1799 C MET A 112 15.705 -0.722 9.536 1.00 65.31 C ATOM 1800 O MET A 112 15.819 -1.095 10.712 1.00 31.41 O ATOM 1801 CB MET A 112 17.278 0.284 7.791 1.00 53.22 C ATOM 1802 CG MET A 112 17.806 1.432 8.680 1.00 54.14 C ATOM 1803 SD MET A 112 19.340 1.042 9.571 1.00 41.22 S ATOM 1804 CE MET A 112 18.751 0.451 11.162 1.00 3.23 C ATOM 0 H MET A 112 16.018 -1.671 6.693 1.00 53.03 H new ATOM 0 HA MET A 112 17.673 -1.413 9.127 1.00 1.00 H new ATOM 0 HB2 MET A 112 18.052 0.028 7.067 1.00 53.22 H new ATOM 0 HB3 MET A 112 16.423 0.654 7.226 1.00 53.22 H new ATOM 0 HG2 MET A 112 17.975 2.310 8.057 1.00 54.14 H new ATOM 0 HG3 MET A 112 17.036 1.698 9.405 1.00 54.14 H new ATOM 0 HE1 MET A 112 19.510 0.635 11.922 1.00 3.23 H new ATOM 0 HE2 MET A 112 17.834 0.977 11.429 1.00 3.23 H new ATOM 0 HE3 MET A 112 18.551 -0.619 11.101 1.00 3.23 H new ATOM 1814 N LEU A 113 14.580 -0.139 9.029 1.00 32.14 N ATOM 1815 CA LEU A 113 13.424 0.342 9.863 1.00 61.52 C ATOM 1816 C LEU A 113 12.445 1.222 9.009 1.00 22.11 C ATOM 1817 O LEU A 113 11.619 1.953 9.556 1.00 65.41 O ATOM 1818 CB LEU A 113 13.919 1.187 11.101 1.00 61.22 C ATOM 1819 CG LEU A 113 12.887 1.389 12.264 1.00 40.03 C ATOM 1820 CD1 LEU A 113 12.642 0.079 13.044 1.00 71.21 C ATOM 1821 CD2 LEU A 113 13.289 2.551 13.195 1.00 32.20 C ATOM 0 H LEU A 113 14.444 0.013 8.030 1.00 32.14 H new ATOM 0 HA LEU A 113 12.901 -0.544 10.222 1.00 61.52 H new ATOM 0 HB2 LEU A 113 14.806 0.705 11.511 1.00 61.22 H new ATOM 0 HB3 LEU A 113 14.227 2.169 10.743 1.00 61.22 H new ATOM 0 HG LEU A 113 11.938 1.668 11.806 1.00 40.03 H new ATOM 0 HD11 LEU A 113 11.921 0.260 13.842 1.00 71.21 H new ATOM 0 HD12 LEU A 113 12.251 -0.680 12.367 1.00 71.21 H new ATOM 0 HD13 LEU A 113 13.581 -0.269 13.475 1.00 71.21 H new ATOM 0 HD21 LEU A 113 12.547 2.656 13.987 1.00 32.20 H new ATOM 0 HD22 LEU A 113 14.264 2.343 13.636 1.00 32.20 H new ATOM 0 HD23 LEU A 113 13.341 3.476 12.621 1.00 32.20 H new ATOM 1833 N LEU A 114 12.562 1.129 7.662 1.00 21.54 N ATOM 1834 CA LEU A 114 11.855 2.007 6.670 1.00 0.20 C ATOM 1835 C LEU A 114 12.405 3.453 6.752 1.00 11.33 C ATOM 1836 O LEU A 114 11.791 4.407 6.272 1.00 15.03 O ATOM 1837 CB LEU A 114 10.290 1.922 6.834 1.00 71.21 C ATOM 1838 CG LEU A 114 9.404 1.845 5.536 1.00 54.12 C ATOM 1839 CD1 LEU A 114 7.939 1.491 5.882 1.00 64.33 C ATOM 1840 CD2 LEU A 114 9.459 3.141 4.703 1.00 24.40 C ATOM 0 H LEU A 114 13.159 0.432 7.216 1.00 21.54 H new ATOM 0 HA LEU A 114 12.061 1.644 5.663 1.00 0.20 H new ATOM 0 HB2 LEU A 114 10.067 1.044 7.440 1.00 71.21 H new ATOM 0 HB3 LEU A 114 9.968 2.793 7.404 1.00 71.21 H new ATOM 0 HG LEU A 114 9.825 1.048 4.923 1.00 54.12 H new ATOM 0 HD11 LEU A 114 7.350 1.445 4.966 1.00 64.33 H new ATOM 0 HD12 LEU A 114 7.907 0.524 6.383 1.00 64.33 H new ATOM 0 HD13 LEU A 114 7.526 2.255 6.541 1.00 64.33 H new ATOM 0 HD21 LEU A 114 8.830 3.033 3.819 1.00 24.40 H new ATOM 0 HD22 LEU A 114 9.099 3.976 5.305 1.00 24.40 H new ATOM 0 HD23 LEU A 114 10.487 3.332 4.395 1.00 24.40 H new ATOM 1852 N VAL A 115 13.595 3.591 7.356 1.00 1.02 N ATOM 1853 CA VAL A 115 14.341 4.849 7.408 1.00 33.14 C ATOM 1854 C VAL A 115 15.567 4.716 6.457 1.00 30.55 C ATOM 1855 O VAL A 115 16.491 3.939 6.730 1.00 3.15 O ATOM 1856 CB VAL A 115 14.735 5.231 8.896 1.00 13.32 C ATOM 1857 CG1 VAL A 115 13.467 5.497 9.749 1.00 42.35 C ATOM 1858 CG2 VAL A 115 15.614 4.161 9.585 1.00 31.22 C ATOM 0 H VAL A 115 14.069 2.820 7.827 1.00 1.02 H new ATOM 0 HA VAL A 115 13.722 5.678 7.064 1.00 33.14 H new ATOM 0 HB VAL A 115 15.330 6.142 8.828 1.00 13.32 H new ATOM 0 HG11 VAL A 115 13.761 5.757 10.766 1.00 42.35 H new ATOM 0 HG12 VAL A 115 12.901 6.320 9.313 1.00 42.35 H new ATOM 0 HG13 VAL A 115 12.847 4.601 9.769 1.00 42.35 H new ATOM 0 HG21 VAL A 115 15.849 4.482 10.600 1.00 31.22 H new ATOM 0 HG22 VAL A 115 15.075 3.214 9.619 1.00 31.22 H new ATOM 0 HG23 VAL A 115 16.538 4.032 9.022 1.00 31.22 H new ATOM 1868 N PRO A 116 15.535 5.385 5.256 1.00 63.24 N ATOM 1869 CA PRO A 116 16.646 5.323 4.289 1.00 3.51 C ATOM 1870 C PRO A 116 17.798 6.289 4.661 1.00 13.01 C ATOM 1871 O PRO A 116 17.809 7.466 4.270 1.00 13.12 O ATOM 1872 CB PRO A 116 15.960 5.675 2.943 1.00 71.20 C ATOM 1873 CG PRO A 116 14.806 6.573 3.307 1.00 23.21 C ATOM 1874 CD PRO A 116 14.402 6.214 4.736 1.00 65.11 C ATOM 0 HA PRO A 116 17.138 4.351 4.258 1.00 3.51 H new ATOM 0 HB2 PRO A 116 16.653 6.179 2.269 1.00 71.20 H new ATOM 0 HB3 PRO A 116 15.613 4.777 2.432 1.00 71.20 H new ATOM 0 HG2 PRO A 116 15.096 7.622 3.239 1.00 23.21 H new ATOM 0 HG3 PRO A 116 13.971 6.428 2.621 1.00 23.21 H new ATOM 0 HD2 PRO A 116 14.255 7.108 5.342 1.00 65.11 H new ATOM 0 HD3 PRO A 116 13.464 5.659 4.754 1.00 65.11 H new ATOM 1882 N ASP A 117 18.729 5.773 5.473 1.00 21.24 N ATOM 1883 CA ASP A 117 19.964 6.477 5.867 1.00 21.11 C ATOM 1884 C ASP A 117 20.877 6.674 4.649 1.00 0.43 C ATOM 1885 O ASP A 117 21.299 7.794 4.337 1.00 30.34 O ATOM 1886 CB ASP A 117 20.728 5.660 6.950 1.00 72.31 C ATOM 1887 CG ASP A 117 19.974 5.537 8.279 1.00 11.25 C ATOM 1888 OD1 ASP A 117 20.420 6.121 9.298 1.00 11.13 O ATOM 1889 OD2 ASP A 117 18.929 4.854 8.318 1.00 5.33 O ATOM 0 H ASP A 117 18.648 4.842 5.882 1.00 21.24 H new ATOM 0 HA ASP A 117 19.687 7.450 6.273 1.00 21.11 H new ATOM 0 HB2 ASP A 117 20.929 4.661 6.563 1.00 72.31 H new ATOM 0 HB3 ASP A 117 21.694 6.131 7.133 1.00 72.31 H new ATOM 1894 N ALA A 118 21.170 5.554 3.979 1.00 44.31 N ATOM 1895 CA ALA A 118 22.070 5.501 2.825 1.00 43.44 C ATOM 1896 C ALA A 118 21.731 4.272 1.959 1.00 64.11 C ATOM 1897 O ALA A 118 21.491 3.186 2.509 1.00 43.11 O ATOM 1898 CB ALA A 118 23.533 5.434 3.301 1.00 40.10 C ATOM 0 H ALA A 118 20.781 4.645 4.229 1.00 44.31 H new ATOM 0 HA ALA A 118 21.941 6.402 2.226 1.00 43.44 H new ATOM 0 HB1 ALA A 118 24.196 5.395 2.436 1.00 40.10 H new ATOM 0 HB2 ALA A 118 23.763 6.319 3.895 1.00 40.10 H new ATOM 0 HB3 ALA A 118 23.677 4.541 3.909 1.00 40.10 H new ATOM 1904 N PRO A 119 21.657 4.425 0.599 1.00 55.25 N ATOM 1905 CA PRO A 119 21.580 3.273 -0.331 1.00 60.40 C ATOM 1906 C PRO A 119 22.805 2.339 -0.188 1.00 41.05 C ATOM 1907 O PRO A 119 23.943 2.772 -0.399 1.00 24.03 O ATOM 1908 CB PRO A 119 21.525 3.947 -1.735 1.00 52.42 C ATOM 1909 CG PRO A 119 21.004 5.331 -1.473 1.00 71.34 C ATOM 1910 CD PRO A 119 21.586 5.721 -0.132 1.00 21.21 C ATOM 0 HA PRO A 119 20.721 2.630 -0.139 1.00 60.40 H new ATOM 0 HB2 PRO A 119 22.511 3.976 -2.199 1.00 52.42 H new ATOM 0 HB3 PRO A 119 20.870 3.399 -2.412 1.00 52.42 H new ATOM 0 HG2 PRO A 119 21.315 6.024 -2.255 1.00 71.34 H new ATOM 0 HG3 PRO A 119 19.914 5.345 -1.449 1.00 71.34 H new ATOM 0 HD2 PRO A 119 22.570 6.178 -0.238 1.00 21.21 H new ATOM 0 HD3 PRO A 119 20.954 6.442 0.387 1.00 21.21 H new ATOM 1918 N GLY A 120 22.559 1.073 0.208 1.00 43.23 N ATOM 1919 CA GLY A 120 23.627 0.083 0.383 1.00 60.44 C ATOM 1920 C GLY A 120 24.104 -0.526 -0.933 1.00 22.44 C ATOM 1921 O GLY A 120 23.614 -0.153 -2.010 1.00 1.01 O ATOM 0 H GLY A 120 21.625 0.717 0.412 1.00 43.23 H new ATOM 0 HA2 GLY A 120 24.472 0.554 0.885 1.00 60.44 H new ATOM 0 HA3 GLY A 120 23.272 -0.713 1.037 1.00 60.44 H new ATOM 1925 N ALA A 121 25.059 -1.474 -0.831 1.00 12.14 N ATOM 1926 CA ALA A 121 25.683 -2.139 -1.994 1.00 4.25 C ATOM 1927 C ALA A 121 24.658 -2.976 -2.786 1.00 61.42 C ATOM 1928 O ALA A 121 24.354 -4.120 -2.420 1.00 40.11 O ATOM 1929 CB ALA A 121 26.868 -3.016 -1.545 1.00 64.35 C ATOM 0 H ALA A 121 25.421 -1.801 0.065 1.00 12.14 H new ATOM 0 HA ALA A 121 26.057 -1.360 -2.659 1.00 4.25 H new ATOM 0 HB1 ALA A 121 27.315 -3.497 -2.415 1.00 64.35 H new ATOM 0 HB2 ALA A 121 27.615 -2.394 -1.051 1.00 64.35 H new ATOM 0 HB3 ALA A 121 26.514 -3.778 -0.851 1.00 64.35 H new ATOM 1935 N SER A 122 24.096 -2.358 -3.834 1.00 64.02 N ATOM 1936 CA SER A 122 23.158 -2.999 -4.765 1.00 54.20 C ATOM 1937 C SER A 122 23.924 -3.448 -6.034 1.00 73.31 C ATOM 1938 O SER A 122 24.202 -4.656 -6.176 1.00 3.32 O ATOM 1939 CB SER A 122 22.014 -2.011 -5.104 1.00 52.14 C ATOM 1940 OG SER A 122 21.387 -1.535 -3.926 1.00 1.04 O ATOM 1941 OXT SER A 122 24.303 -2.577 -6.851 1.00 37.77 O ATOM 0 H SER A 122 24.284 -1.382 -4.062 1.00 64.02 H new ATOM 0 HA SER A 122 22.713 -3.883 -4.309 1.00 54.20 H new ATOM 0 HB2 SER A 122 22.411 -1.171 -5.673 1.00 52.14 H new ATOM 0 HB3 SER A 122 21.278 -2.506 -5.738 1.00 52.14 H new ATOM 0 HG SER A 122 20.670 -0.912 -4.166 1.00 1.04 H new TER 1947 SER A 122