USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 57 THR OG1 : rot 180:sc=-0.00353 USER MOD Set 1.2: A 59 SER OG : rot 180:sc=-0.00804 USER MOD Set 2.1: A 18 SER OG : rot 112:sc= 0.0792 USER MOD Set 2.2: A 40 TYR OH : rot 175:sc= 0.508 USER MOD Set 2.3: A 71 THR OG1 : rot -118:sc= -1.68! USER MOD Set 3.1: A 12 GLN :FLIP amide:sc= -0.0101 F(o=-0.04,f=0.68) USER MOD Set 3.2: A 67 TYR OH : rot 110:sc= 0.691 USER MOD Set 4.1: A 2 THR OG1 : rot -36:sc= 0.198 USER MOD Set 4.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.43 X(o=0.43,f=-0.012) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 20 SER OG : rot 76:sc= 0.643 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.409 F(o=-1.2,f=-0.41) USER MOD Single : A 35 GLN : amide:sc= 0.0813 X(o=0.081,f=0) USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00309 F(o=-0.79,f=-0.0031) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 43 SER OG : rot 65:sc= 1.19 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -162:sc= -0.0841 (180deg=-0.732) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 173:sc= -1.94 (180deg=-2.33) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.3) USER MOD Single : A 74 ASN : amide:sc= -0.743 K(o=-0.74,f=-1.8) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 175:sc= 0.0832 (180deg=-0.0154) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.227 F(o=-1.1,f=-0.23) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 90 SER OG : rot -84:sc= 0.708 USER MOD Single : A1001 MET CE :methyl 164:sc= -0.722 (180deg=-1.2) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -78:sc= 0.945 USER MOD Single : A1010 THR OG1 : rot 76:sc= 0.656 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl -168:sc= -4.44! (180deg=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 3.755 -5.068 23.298 1.00 32.22 N ATOM 21 CA THR A 2 2.565 -4.304 22.874 1.00 71.44 C ATOM 22 C THR A 2 2.791 -3.622 21.503 1.00 31.24 C ATOM 23 O THR A 2 2.092 -3.923 20.523 1.00 54.20 O ATOM 24 CB THR A 2 2.186 -3.243 23.961 1.00 34.34 C ATOM 25 OG1 THR A 2 3.349 -2.472 24.306 1.00 51.31 O ATOM 26 CG2 THR A 2 1.603 -3.897 25.229 1.00 24.21 C ATOM 0 HA THR A 2 1.737 -5.004 22.762 1.00 71.44 H new ATOM 0 HB THR A 2 1.416 -2.596 23.540 1.00 34.34 H new ATOM 0 HG1 THR A 2 4.140 -3.051 24.297 1.00 51.31 H new ATOM 0 HG21 THR A 2 1.354 -3.124 25.956 1.00 24.21 H new ATOM 0 HG22 THR A 2 0.703 -4.454 24.970 1.00 24.21 H new ATOM 0 HG23 THR A 2 2.339 -4.576 25.659 1.00 24.21 H new ATOM 34 N SER A 3 3.816 -2.743 21.446 1.00 63.31 N ATOM 35 CA SER A 3 4.200 -2.004 20.223 1.00 24.13 C ATOM 36 C SER A 3 4.695 -2.969 19.128 1.00 54.21 C ATOM 37 O SER A 3 4.616 -2.658 17.938 1.00 62.25 O ATOM 38 CB SER A 3 5.293 -0.968 20.565 1.00 21.45 C ATOM 39 OG SER A 3 4.875 -0.114 21.622 1.00 71.44 O ATOM 0 H SER A 3 4.403 -2.525 22.251 1.00 63.31 H new ATOM 0 HA SER A 3 3.322 -1.485 19.838 1.00 24.13 H new ATOM 0 HB2 SER A 3 6.210 -1.483 20.850 1.00 21.45 H new ATOM 0 HB3 SER A 3 5.523 -0.373 19.682 1.00 21.45 H new ATOM 0 HG SER A 3 5.585 0.532 21.821 1.00 71.44 H new ATOM 45 N THR A 4 5.206 -4.130 19.569 1.00 32.23 N ATOM 46 CA THR A 4 5.650 -5.222 18.697 1.00 51.30 C ATOM 47 C THR A 4 4.461 -5.794 17.901 1.00 42.04 C ATOM 48 O THR A 4 4.484 -5.811 16.668 1.00 34.21 O ATOM 49 CB THR A 4 6.324 -6.340 19.557 1.00 13.10 C ATOM 50 OG1 THR A 4 7.434 -5.779 20.286 1.00 23.01 O ATOM 51 CG2 THR A 4 6.790 -7.537 18.715 1.00 51.03 C ATOM 0 H THR A 4 5.323 -4.337 20.561 1.00 32.23 H new ATOM 0 HA THR A 4 6.379 -4.835 17.985 1.00 51.30 H new ATOM 0 HB THR A 4 5.573 -6.720 20.250 1.00 13.10 H new ATOM 0 HG1 THR A 4 7.857 -6.478 20.827 1.00 23.01 H new ATOM 0 HG21 THR A 4 7.250 -8.282 19.365 1.00 51.03 H new ATOM 0 HG22 THR A 4 5.934 -7.979 18.206 1.00 51.03 H new ATOM 0 HG23 THR A 4 7.518 -7.201 17.976 1.00 51.03 H new ATOM 59 N VAL A 5 3.412 -6.226 18.636 1.00 34.20 N ATOM 60 CA VAL A 5 2.180 -6.779 18.038 1.00 54.12 C ATOM 61 C VAL A 5 1.524 -5.740 17.116 1.00 14.11 C ATOM 62 O VAL A 5 1.110 -6.068 16.012 1.00 21.42 O ATOM 63 CB VAL A 5 1.161 -7.265 19.142 1.00 73.42 C ATOM 64 CG1 VAL A 5 -0.219 -7.663 18.544 1.00 54.34 C ATOM 65 CG2 VAL A 5 1.761 -8.440 19.946 1.00 32.44 C ATOM 0 H VAL A 5 3.397 -6.201 19.656 1.00 34.20 H new ATOM 0 HA VAL A 5 2.460 -7.651 17.447 1.00 54.12 H new ATOM 0 HB VAL A 5 0.987 -6.423 19.811 1.00 73.42 H new ATOM 0 HG11 VAL A 5 -0.882 -7.990 19.345 1.00 54.34 H new ATOM 0 HG12 VAL A 5 -0.658 -6.803 18.038 1.00 54.34 H new ATOM 0 HG13 VAL A 5 -0.085 -8.475 17.830 1.00 54.34 H new ATOM 0 HG21 VAL A 5 1.047 -8.765 20.703 1.00 32.44 H new ATOM 0 HG22 VAL A 5 1.977 -9.269 19.272 1.00 32.44 H new ATOM 0 HG23 VAL A 5 2.682 -8.116 20.430 1.00 32.44 H new ATOM 75 N GLU A 6 1.489 -4.480 17.570 1.00 42.23 N ATOM 76 CA GLU A 6 0.952 -3.358 16.773 1.00 44.34 C ATOM 77 C GLU A 6 1.679 -3.238 15.417 1.00 2.54 C ATOM 78 O GLU A 6 1.045 -3.275 14.367 1.00 64.33 O ATOM 79 CB GLU A 6 1.079 -2.038 17.566 1.00 41.41 C ATOM 80 CG GLU A 6 0.155 -1.952 18.793 1.00 25.42 C ATOM 81 CD GLU A 6 0.307 -0.638 19.562 1.00 72.01 C ATOM 82 OE1 GLU A 6 -0.307 0.367 19.156 1.00 42.54 O ATOM 83 OE2 GLU A 6 1.051 -0.598 20.566 1.00 52.11 O ATOM 0 H GLU A 6 1.828 -4.206 18.492 1.00 42.23 H new ATOM 0 HA GLU A 6 -0.101 -3.556 16.573 1.00 44.34 H new ATOM 0 HB2 GLU A 6 2.112 -1.921 17.893 1.00 41.41 H new ATOM 0 HB3 GLU A 6 0.859 -1.204 16.900 1.00 41.41 H new ATOM 0 HG2 GLU A 6 -0.880 -2.060 18.470 1.00 25.42 H new ATOM 0 HG3 GLU A 6 0.369 -2.785 19.462 1.00 25.42 H new ATOM 90 N PHE A 7 3.014 -3.165 15.479 1.00 1.40 N ATOM 91 CA PHE A 7 3.883 -2.912 14.314 1.00 31.24 C ATOM 92 C PHE A 7 3.752 -4.043 13.271 1.00 30.43 C ATOM 93 O PHE A 7 3.423 -3.789 12.108 1.00 63.25 O ATOM 94 CB PHE A 7 5.351 -2.767 14.807 1.00 21.43 C ATOM 95 CG PHE A 7 6.343 -2.133 13.824 1.00 14.22 C ATOM 96 CD1 PHE A 7 7.484 -2.821 13.397 1.00 33.31 C ATOM 97 CD2 PHE A 7 6.162 -0.816 13.379 1.00 43.50 C ATOM 98 CE1 PHE A 7 8.406 -2.220 12.558 1.00 61.40 C ATOM 99 CE2 PHE A 7 7.081 -0.220 12.533 1.00 74.14 C ATOM 100 CZ PHE A 7 8.208 -0.918 12.130 1.00 25.22 C ATOM 0 H PHE A 7 3.532 -3.281 16.350 1.00 1.40 H new ATOM 0 HA PHE A 7 3.576 -1.989 13.823 1.00 31.24 H new ATOM 0 HB2 PHE A 7 5.347 -2.171 15.720 1.00 21.43 H new ATOM 0 HB3 PHE A 7 5.721 -3.757 15.074 1.00 21.43 H new ATOM 0 HD1 PHE A 7 7.648 -3.836 13.727 1.00 33.31 H new ATOM 0 HD2 PHE A 7 5.294 -0.259 13.701 1.00 43.50 H new ATOM 0 HE1 PHE A 7 9.280 -2.767 12.237 1.00 61.40 H new ATOM 0 HE2 PHE A 7 6.920 0.790 12.187 1.00 74.14 H new ATOM 0 HZ PHE A 7 8.932 -0.447 11.482 1.00 25.22 H new ATOM 110 N ILE A 8 3.936 -5.293 13.736 1.00 40.13 N ATOM 111 CA ILE A 8 3.974 -6.491 12.868 1.00 61.34 C ATOM 112 C ILE A 8 2.580 -6.803 12.278 1.00 12.12 C ATOM 113 O ILE A 8 2.483 -7.198 11.120 1.00 43.23 O ATOM 114 CB ILE A 8 4.512 -7.750 13.653 1.00 32.21 C ATOM 115 CG1 ILE A 8 5.878 -7.437 14.346 1.00 4.43 C ATOM 116 CG2 ILE A 8 4.657 -8.984 12.721 1.00 72.42 C ATOM 117 CD1 ILE A 8 6.363 -8.523 15.287 1.00 52.22 C ATOM 0 H ILE A 8 4.063 -5.504 14.726 1.00 40.13 H new ATOM 0 HA ILE A 8 4.658 -6.269 12.049 1.00 61.34 H new ATOM 0 HB ILE A 8 3.777 -7.989 14.421 1.00 32.21 H new ATOM 0 HG12 ILE A 8 6.633 -7.274 13.577 1.00 4.43 H new ATOM 0 HG13 ILE A 8 5.784 -6.505 14.903 1.00 4.43 H new ATOM 0 HG21 ILE A 8 5.030 -9.832 13.295 1.00 72.42 H new ATOM 0 HG22 ILE A 8 3.686 -9.234 12.294 1.00 72.42 H new ATOM 0 HG23 ILE A 8 5.358 -8.753 11.918 1.00 72.42 H new ATOM 0 HD11 ILE A 8 7.316 -8.226 15.725 1.00 52.22 H new ATOM 0 HD12 ILE A 8 5.630 -8.671 16.080 1.00 52.22 H new ATOM 0 HD13 ILE A 8 6.492 -9.453 14.733 1.00 52.22 H new ATOM 129 N ASN A 9 1.509 -6.621 13.084 1.00 1.45 N ATOM 130 CA ASN A 9 0.110 -6.898 12.644 1.00 24.24 C ATOM 131 C ASN A 9 -0.414 -5.800 11.703 1.00 43.34 C ATOM 132 O ASN A 9 -1.312 -6.059 10.885 1.00 65.14 O ATOM 133 CB ASN A 9 -0.846 -7.070 13.857 1.00 42.24 C ATOM 134 CG ASN A 9 -0.749 -8.452 14.514 1.00 12.55 C ATOM 135 OD1 ASN A 9 -1.562 -9.335 14.250 1.00 2.23 O ATOM 136 ND2 ASN A 9 0.266 -8.672 15.326 1.00 35.32 N ATOM 0 H ASN A 9 1.580 -6.284 14.044 1.00 1.45 H new ATOM 0 HA ASN A 9 0.132 -7.838 12.092 1.00 24.24 H new ATOM 0 HB2 ASN A 9 -0.620 -6.305 14.600 1.00 42.24 H new ATOM 0 HB3 ASN A 9 -1.872 -6.902 13.529 1.00 42.24 H new ATOM 0 HD21 ASN A 9 0.390 -9.591 15.750 1.00 35.32 H new ATOM 0 HD22 ASN A 9 0.928 -7.923 15.530 1.00 35.32 H new ATOM 143 N ARG A 10 0.126 -4.578 11.832 1.00 61.33 N ATOM 144 CA ARG A 10 -0.168 -3.487 10.888 1.00 34.31 C ATOM 145 C ARG A 10 0.529 -3.755 9.543 1.00 14.41 C ATOM 146 O ARG A 10 -0.119 -3.677 8.510 1.00 3.23 O ATOM 147 CB ARG A 10 0.214 -2.108 11.488 1.00 43.32 C ATOM 148 CG ARG A 10 -0.822 -1.551 12.501 1.00 61.24 C ATOM 149 CD ARG A 10 -0.317 -0.307 13.265 1.00 22.22 C ATOM 150 NE ARG A 10 -1.428 0.407 13.936 1.00 43.53 N ATOM 151 CZ ARG A 10 -1.556 0.632 15.251 1.00 23.32 C ATOM 152 NH1 ARG A 10 -0.657 0.191 16.112 1.00 65.42 N ATOM 153 NH2 ARG A 10 -2.585 1.330 15.695 1.00 54.20 N ATOM 0 H ARG A 10 0.769 -4.320 12.581 1.00 61.33 H new ATOM 0 HA ARG A 10 -1.242 -3.455 10.705 1.00 34.31 H new ATOM 0 HB2 ARG A 10 1.181 -2.194 11.983 1.00 43.32 H new ATOM 0 HB3 ARG A 10 0.335 -1.391 10.676 1.00 43.32 H new ATOM 0 HG2 ARG A 10 -1.739 -1.296 11.970 1.00 61.24 H new ATOM 0 HG3 ARG A 10 -1.076 -2.332 13.218 1.00 61.24 H new ATOM 0 HD2 ARG A 10 0.423 -0.610 14.006 1.00 22.22 H new ATOM 0 HD3 ARG A 10 0.184 0.368 12.572 1.00 22.22 H new ATOM 0 HE ARG A 10 -2.172 0.764 13.336 1.00 43.53 H new ATOM 0 HH11 ARG A 10 0.154 -0.332 15.780 1.00 65.42 H new ATOM 0 HH12 ARG A 10 -0.773 0.373 17.109 1.00 65.42 H new ATOM 0 HH21 ARG A 10 -3.276 1.694 15.039 1.00 54.20 H new ATOM 0 HH22 ARG A 10 -2.689 1.505 16.694 1.00 54.20 H new ATOM 167 N TRP A 11 1.835 -4.126 9.570 1.00 1.31 N ATOM 168 CA TRP A 11 2.577 -4.535 8.346 1.00 22.13 C ATOM 169 C TRP A 11 1.927 -5.758 7.689 1.00 71.10 C ATOM 170 O TRP A 11 1.883 -5.859 6.460 1.00 70.33 O ATOM 171 CB TRP A 11 4.067 -4.843 8.648 1.00 23.13 C ATOM 172 CG TRP A 11 4.914 -3.620 8.857 1.00 31.21 C ATOM 173 CD1 TRP A 11 5.571 -3.258 9.988 1.00 52.31 C ATOM 174 CD2 TRP A 11 5.186 -2.589 7.893 1.00 64.32 C ATOM 175 NE1 TRP A 11 6.231 -2.080 9.789 1.00 2.14 N ATOM 176 CE2 TRP A 11 6.012 -1.646 8.520 1.00 21.54 C ATOM 177 CE3 TRP A 11 4.812 -2.378 6.564 1.00 14.04 C ATOM 178 CZ2 TRP A 11 6.473 -0.505 7.874 1.00 51.25 C ATOM 179 CZ3 TRP A 11 5.264 -1.245 5.923 1.00 52.35 C ATOM 180 CH2 TRP A 11 6.087 -0.319 6.580 1.00 12.41 C ATOM 0 H TRP A 11 2.395 -4.151 10.422 1.00 1.31 H new ATOM 0 HA TRP A 11 2.532 -3.691 7.658 1.00 22.13 H new ATOM 0 HB2 TRP A 11 4.125 -5.469 9.539 1.00 23.13 H new ATOM 0 HB3 TRP A 11 4.482 -5.423 7.824 1.00 23.13 H new ATOM 0 HD1 TRP A 11 5.572 -3.820 10.910 1.00 52.31 H new ATOM 0 HE1 TRP A 11 6.801 -1.600 10.485 1.00 2.14 H new ATOM 0 HE3 TRP A 11 4.182 -3.088 6.049 1.00 14.04 H new ATOM 0 HZ2 TRP A 11 7.112 0.206 8.377 1.00 51.25 H new ATOM 0 HZ3 TRP A 11 4.979 -1.067 4.896 1.00 52.35 H new ATOM 0 HH2 TRP A 11 6.422 0.560 6.050 1.00 12.41 H new ATOM 191 N GLN A 12 1.444 -6.675 8.539 1.00 31.33 N ATOM 192 CA GLN A 12 0.682 -7.861 8.127 1.00 14.52 C ATOM 193 C GLN A 12 -0.536 -7.424 7.308 1.00 42.45 C ATOM 194 O GLN A 12 -0.705 -7.849 6.167 1.00 34.21 O ATOM 195 CB GLN A 12 0.233 -8.648 9.385 1.00 34.13 C ATOM 196 CG GLN A 12 -0.716 -9.833 9.130 1.00 11.42 C ATOM 197 CD GLN A 12 -0.050 -11.023 8.457 1.00 53.31 C ATOM 198 OE1 GLN A 12 0.460 -11.940 9.256 1.00 10.40 O flip ATOM 199 NE2 GLN A 12 -0.003 -11.120 7.232 1.00 40.20 N flip ATOM 0 H GLN A 12 1.574 -6.612 9.549 1.00 31.33 H new ATOM 0 HA GLN A 12 1.307 -8.508 7.511 1.00 14.52 H new ATOM 0 HB2 GLN A 12 1.122 -9.022 9.893 1.00 34.13 H new ATOM 0 HB3 GLN A 12 -0.257 -7.955 10.068 1.00 34.13 H new ATOM 0 HG2 GLN A 12 -1.141 -10.157 10.080 1.00 11.42 H new ATOM 0 HG3 GLN A 12 -1.545 -9.494 8.509 1.00 11.42 H new ATOM 0 HE21 GLN A 12 -0.409 -10.390 6.647 1.00 40.20 H new ATOM 0 HE22 GLN A 12 0.442 -11.931 6.801 1.00 40.20 H new ATOM 208 N ARG A 13 -1.336 -6.516 7.904 1.00 63.43 N ATOM 209 CA ARG A 13 -2.572 -6.000 7.294 1.00 62.14 C ATOM 210 C ARG A 13 -2.285 -5.314 5.942 1.00 65.21 C ATOM 211 O ARG A 13 -3.008 -5.535 4.981 1.00 4.54 O ATOM 212 CB ARG A 13 -3.294 -5.016 8.261 1.00 53.31 C ATOM 213 CG ARG A 13 -4.671 -4.511 7.759 1.00 4.34 C ATOM 214 CD ARG A 13 -5.686 -5.651 7.550 1.00 14.40 C ATOM 215 NE ARG A 13 -6.962 -5.180 6.989 1.00 12.33 N ATOM 216 CZ ARG A 13 -8.063 -5.938 6.820 1.00 5.15 C ATOM 217 NH1 ARG A 13 -8.074 -7.224 7.173 1.00 23.33 N ATOM 218 NH2 ARG A 13 -9.156 -5.401 6.296 1.00 50.12 N ATOM 0 H ARG A 13 -1.140 -6.121 8.824 1.00 63.43 H new ATOM 0 HA ARG A 13 -3.230 -6.849 7.108 1.00 62.14 H new ATOM 0 HB2 ARG A 13 -3.431 -5.509 9.224 1.00 53.31 H new ATOM 0 HB3 ARG A 13 -2.647 -4.156 8.433 1.00 53.31 H new ATOM 0 HG2 ARG A 13 -5.075 -3.798 8.478 1.00 4.34 H new ATOM 0 HG3 ARG A 13 -4.536 -3.975 6.820 1.00 4.34 H new ATOM 0 HD2 ARG A 13 -5.255 -6.398 6.884 1.00 14.40 H new ATOM 0 HD3 ARG A 13 -5.873 -6.144 8.504 1.00 14.40 H new ATOM 0 HE ARG A 13 -7.018 -4.202 6.705 1.00 12.33 H new ATOM 0 HH11 ARG A 13 -7.240 -7.649 7.578 1.00 23.33 H new ATOM 0 HH12 ARG A 13 -8.917 -7.783 7.038 1.00 23.33 H new ATOM 0 HH21 ARG A 13 -9.161 -4.418 6.023 1.00 50.12 H new ATOM 0 HH22 ARG A 13 -9.992 -5.971 6.166 1.00 50.12 H new ATOM 232 N ILE A 14 -1.200 -4.517 5.882 1.00 52.15 N ATOM 233 CA ILE A 14 -0.803 -3.766 4.668 1.00 13.41 C ATOM 234 C ILE A 14 -0.389 -4.735 3.548 1.00 50.12 C ATOM 235 O ILE A 14 -0.765 -4.551 2.396 1.00 1.35 O ATOM 236 CB ILE A 14 0.381 -2.771 4.970 1.00 71.51 C ATOM 237 CG1 ILE A 14 -0.009 -1.780 6.090 1.00 74.43 C ATOM 238 CG2 ILE A 14 0.823 -1.983 3.715 1.00 33.21 C ATOM 239 CD1 ILE A 14 1.112 -0.875 6.526 1.00 21.52 C ATOM 0 H ILE A 14 -0.572 -4.374 6.673 1.00 52.15 H new ATOM 0 HA ILE A 14 -1.667 -3.186 4.344 1.00 13.41 H new ATOM 0 HB ILE A 14 1.223 -3.380 5.297 1.00 71.51 H new ATOM 0 HG12 ILE A 14 -0.843 -1.168 5.745 1.00 74.43 H new ATOM 0 HG13 ILE A 14 -0.363 -2.344 6.953 1.00 74.43 H new ATOM 0 HG21 ILE A 14 1.641 -1.312 3.976 1.00 33.21 H new ATOM 0 HG22 ILE A 14 1.157 -2.680 2.947 1.00 33.21 H new ATOM 0 HG23 ILE A 14 -0.017 -1.401 3.336 1.00 33.21 H new ATOM 0 HD11 ILE A 14 0.758 -0.210 7.314 1.00 21.52 H new ATOM 0 HD12 ILE A 14 1.939 -1.476 6.903 1.00 21.52 H new ATOM 0 HD13 ILE A 14 1.452 -0.282 5.677 1.00 21.52 H new ATOM 251 N ALA A 15 0.368 -5.778 3.919 1.00 61.23 N ATOM 252 CA ALA A 15 0.858 -6.796 2.974 1.00 52.35 C ATOM 253 C ALA A 15 -0.311 -7.581 2.353 1.00 71.25 C ATOM 254 O ALA A 15 -0.347 -7.807 1.129 1.00 42.11 O ATOM 255 CB ALA A 15 1.833 -7.738 3.684 1.00 63.51 C ATOM 0 H ALA A 15 0.659 -5.941 4.883 1.00 61.23 H new ATOM 0 HA ALA A 15 1.384 -6.294 2.162 1.00 52.35 H new ATOM 0 HB1 ALA A 15 2.192 -8.489 2.980 1.00 63.51 H new ATOM 0 HB2 ALA A 15 2.678 -7.166 4.067 1.00 63.51 H new ATOM 0 HB3 ALA A 15 1.324 -8.231 4.512 1.00 63.51 H new ATOM 261 N LEU A 16 -1.272 -7.959 3.220 1.00 34.44 N ATOM 262 CA LEU A 16 -2.473 -8.713 2.830 1.00 11.22 C ATOM 263 C LEU A 16 -3.379 -7.858 1.930 1.00 32.44 C ATOM 264 O LEU A 16 -3.830 -8.324 0.882 1.00 32.02 O ATOM 265 CB LEU A 16 -3.259 -9.188 4.087 1.00 22.22 C ATOM 266 CG LEU A 16 -2.497 -10.150 5.054 1.00 62.41 C ATOM 267 CD1 LEU A 16 -3.372 -10.532 6.275 1.00 54.10 C ATOM 268 CD2 LEU A 16 -1.965 -11.396 4.308 1.00 13.14 C ATOM 0 H LEU A 16 -1.233 -7.746 4.217 1.00 34.44 H new ATOM 0 HA LEU A 16 -2.153 -9.592 2.270 1.00 11.22 H new ATOM 0 HB2 LEU A 16 -3.567 -8.308 4.652 1.00 22.22 H new ATOM 0 HB3 LEU A 16 -4.169 -9.687 3.754 1.00 22.22 H new ATOM 0 HG LEU A 16 -1.629 -9.615 5.438 1.00 62.41 H new ATOM 0 HD11 LEU A 16 -2.813 -11.202 6.928 1.00 54.10 H new ATOM 0 HD12 LEU A 16 -3.642 -9.631 6.825 1.00 54.10 H new ATOM 0 HD13 LEU A 16 -4.277 -11.032 5.931 1.00 54.10 H new ATOM 0 HD21 LEU A 16 -1.440 -12.044 5.010 1.00 13.14 H new ATOM 0 HD22 LEU A 16 -2.800 -11.940 3.867 1.00 13.14 H new ATOM 0 HD23 LEU A 16 -1.279 -11.083 3.521 1.00 13.14 H new ATOM 280 N LEU A 17 -3.618 -6.598 2.354 1.00 31.34 N ATOM 281 CA LEU A 17 -4.450 -5.635 1.607 1.00 60.40 C ATOM 282 C LEU A 17 -3.849 -5.386 0.222 1.00 31.22 C ATOM 283 O LEU A 17 -4.534 -5.537 -0.766 1.00 2.45 O ATOM 284 CB LEU A 17 -4.606 -4.287 2.379 1.00 31.34 C ATOM 285 CG LEU A 17 -5.560 -4.296 3.619 1.00 44.00 C ATOM 286 CD1 LEU A 17 -5.451 -2.975 4.414 1.00 5.33 C ATOM 287 CD2 LEU A 17 -7.020 -4.568 3.197 1.00 62.33 C ATOM 0 H LEU A 17 -3.239 -6.222 3.223 1.00 31.34 H new ATOM 0 HA LEU A 17 -5.444 -6.068 1.496 1.00 60.40 H new ATOM 0 HB2 LEU A 17 -3.618 -3.969 2.712 1.00 31.34 H new ATOM 0 HB3 LEU A 17 -4.965 -3.533 1.679 1.00 31.34 H new ATOM 0 HG LEU A 17 -5.245 -5.108 4.274 1.00 44.00 H new ATOM 0 HD11 LEU A 17 -6.125 -3.009 5.270 1.00 5.33 H new ATOM 0 HD12 LEU A 17 -4.427 -2.844 4.763 1.00 5.33 H new ATOM 0 HD13 LEU A 17 -5.724 -2.139 3.770 1.00 5.33 H new ATOM 0 HD21 LEU A 17 -7.660 -4.568 4.079 1.00 62.33 H new ATOM 0 HD22 LEU A 17 -7.351 -3.790 2.509 1.00 62.33 H new ATOM 0 HD23 LEU A 17 -7.081 -5.538 2.704 1.00 62.33 H new ATOM 299 N SER A 18 -2.544 -5.065 0.178 1.00 35.41 N ATOM 300 CA SER A 18 -1.824 -4.746 -1.076 1.00 42.21 C ATOM 301 C SER A 18 -1.860 -5.931 -2.054 1.00 63.02 C ATOM 302 O SER A 18 -2.015 -5.741 -3.259 1.00 43.12 O ATOM 303 CB SER A 18 -0.361 -4.366 -0.767 1.00 35.24 C ATOM 304 OG SER A 18 0.271 -3.752 -1.878 1.00 13.40 O ATOM 0 H SER A 18 -1.955 -5.018 1.009 1.00 35.41 H new ATOM 0 HA SER A 18 -2.325 -3.900 -1.546 1.00 42.21 H new ATOM 0 HB2 SER A 18 -0.334 -3.688 0.086 1.00 35.24 H new ATOM 0 HB3 SER A 18 0.194 -5.260 -0.482 1.00 35.24 H new ATOM 0 HG SER A 18 0.451 -2.811 -1.673 1.00 13.40 H new ATOM 310 N GLN A 19 -1.721 -7.154 -1.501 1.00 73.23 N ATOM 311 CA GLN A 19 -1.776 -8.411 -2.274 1.00 60.21 C ATOM 312 C GLN A 19 -3.169 -8.611 -2.894 1.00 62.14 C ATOM 313 O GLN A 19 -3.293 -8.891 -4.095 1.00 32.03 O ATOM 314 CB GLN A 19 -1.419 -9.594 -1.345 1.00 42.31 C ATOM 315 CG GLN A 19 -1.327 -10.969 -2.037 1.00 13.21 C ATOM 316 CD GLN A 19 -1.019 -12.119 -1.075 1.00 51.24 C ATOM 317 OE1 GLN A 19 -1.533 -12.043 0.151 1.00 70.11 O flip ATOM 318 NE2 GLN A 19 -0.353 -13.092 -1.438 1.00 63.31 N flip ATOM 0 H GLN A 19 -1.567 -7.297 -0.503 1.00 73.23 H new ATOM 0 HA GLN A 19 -1.055 -8.361 -3.090 1.00 60.21 H new ATOM 0 HB2 GLN A 19 -0.464 -9.382 -0.865 1.00 42.31 H new ATOM 0 HB3 GLN A 19 -2.167 -9.653 -0.554 1.00 42.31 H new ATOM 0 HG2 GLN A 19 -2.269 -11.174 -2.546 1.00 13.21 H new ATOM 0 HG3 GLN A 19 -0.553 -10.930 -2.803 1.00 13.21 H new ATOM 0 HE21 GLN A 19 0.029 -13.124 -2.383 1.00 63.31 H new ATOM 0 HE22 GLN A 19 -0.185 -13.864 -0.793 1.00 63.31 H new ATOM 327 N SER A 20 -4.209 -8.425 -2.056 1.00 54.41 N ATOM 328 CA SER A 20 -5.616 -8.555 -2.470 1.00 41.23 C ATOM 329 C SER A 20 -5.936 -7.540 -3.581 1.00 54.14 C ATOM 330 O SER A 20 -6.358 -7.924 -4.669 1.00 61.32 O ATOM 331 CB SER A 20 -6.547 -8.345 -1.257 1.00 22.24 C ATOM 332 OG SER A 20 -6.322 -9.328 -0.260 1.00 41.13 O ATOM 0 H SER A 20 -4.094 -8.180 -1.073 1.00 54.41 H new ATOM 0 HA SER A 20 -5.780 -9.559 -2.862 1.00 41.23 H new ATOM 0 HB2 SER A 20 -6.382 -7.353 -0.837 1.00 22.24 H new ATOM 0 HB3 SER A 20 -7.587 -8.385 -1.582 1.00 22.24 H new ATOM 0 HG SER A 20 -5.494 -9.121 0.222 1.00 41.13 H new ATOM 338 N LEU A 21 -5.647 -6.255 -3.283 1.00 11.45 N ATOM 339 CA LEU A 21 -5.826 -5.109 -4.194 1.00 52.43 C ATOM 340 C LEU A 21 -5.072 -5.318 -5.509 1.00 72.01 C ATOM 341 O LEU A 21 -5.537 -4.872 -6.559 1.00 61.14 O ATOM 342 CB LEU A 21 -5.336 -3.798 -3.507 1.00 22.13 C ATOM 343 CG LEU A 21 -6.127 -3.350 -2.237 1.00 51.42 C ATOM 344 CD1 LEU A 21 -5.407 -2.195 -1.499 1.00 63.13 C ATOM 345 CD2 LEU A 21 -7.574 -2.977 -2.596 1.00 15.41 C ATOM 0 H LEU A 21 -5.272 -5.981 -2.375 1.00 11.45 H new ATOM 0 HA LEU A 21 -6.889 -5.026 -4.422 1.00 52.43 H new ATOM 0 HB2 LEU A 21 -4.289 -3.926 -3.232 1.00 22.13 H new ATOM 0 HB3 LEU A 21 -5.377 -2.991 -4.239 1.00 22.13 H new ATOM 0 HG LEU A 21 -6.163 -4.196 -1.550 1.00 51.42 H new ATOM 0 HD11 LEU A 21 -5.985 -1.908 -0.620 1.00 63.13 H new ATOM 0 HD12 LEU A 21 -4.415 -2.524 -1.189 1.00 63.13 H new ATOM 0 HD13 LEU A 21 -5.314 -1.339 -2.167 1.00 63.13 H new ATOM 0 HD21 LEU A 21 -8.104 -2.668 -1.695 1.00 15.41 H new ATOM 0 HD22 LEU A 21 -7.571 -2.157 -3.314 1.00 15.41 H new ATOM 0 HD23 LEU A 21 -8.074 -3.841 -3.034 1.00 15.41 H new ATOM 357 N LEU A 22 -3.904 -5.986 -5.430 1.00 0.52 N ATOM 358 CA LEU A 22 -3.096 -6.310 -6.607 1.00 4.20 C ATOM 359 C LEU A 22 -3.860 -7.260 -7.526 1.00 12.44 C ATOM 360 O LEU A 22 -4.028 -6.965 -8.710 1.00 63.24 O ATOM 361 CB LEU A 22 -1.731 -6.941 -6.228 1.00 12.14 C ATOM 362 CG LEU A 22 -0.848 -7.349 -7.448 1.00 12.13 C ATOM 363 CD1 LEU A 22 -0.594 -6.140 -8.361 1.00 0.02 C ATOM 364 CD2 LEU A 22 0.467 -8.022 -7.014 1.00 64.35 C ATOM 0 H LEU A 22 -3.502 -6.311 -4.551 1.00 0.52 H new ATOM 0 HA LEU A 22 -2.896 -5.372 -7.125 1.00 4.20 H new ATOM 0 HB2 LEU A 22 -1.175 -6.233 -5.614 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -1.911 -7.823 -5.614 1.00 12.14 H new ATOM 0 HG LEU A 22 -1.401 -8.094 -8.020 1.00 12.13 H new ATOM 0 HD11 LEU A 22 0.024 -6.445 -9.206 1.00 0.02 H new ATOM 0 HD12 LEU A 22 -1.545 -5.755 -8.728 1.00 0.02 H new ATOM 0 HD13 LEU A 22 -0.080 -5.361 -7.798 1.00 0.02 H new ATOM 0 HD21 LEU A 22 1.048 -8.288 -7.897 1.00 64.35 H new ATOM 0 HD22 LEU A 22 1.042 -7.333 -6.396 1.00 64.35 H new ATOM 0 HD23 LEU A 22 0.243 -8.922 -6.442 1.00 64.35 H new ATOM 376 N GLU A 23 -4.326 -8.384 -6.955 1.00 54.12 N ATOM 377 CA GLU A 23 -5.083 -9.414 -7.702 1.00 1.25 C ATOM 378 C GLU A 23 -6.317 -8.794 -8.381 1.00 61.42 C ATOM 379 O GLU A 23 -6.597 -9.033 -9.570 1.00 72.01 O ATOM 380 CB GLU A 23 -5.506 -10.558 -6.748 1.00 64.31 C ATOM 381 CG GLU A 23 -4.342 -11.245 -6.009 1.00 40.15 C ATOM 382 CD GLU A 23 -3.248 -11.772 -6.950 1.00 22.31 C ATOM 383 OE1 GLU A 23 -3.409 -12.880 -7.501 1.00 34.20 O ATOM 384 OE2 GLU A 23 -2.229 -11.076 -7.157 1.00 21.30 O ATOM 0 H GLU A 23 -4.192 -8.607 -5.969 1.00 54.12 H new ATOM 0 HA GLU A 23 -4.438 -9.825 -8.479 1.00 1.25 H new ATOM 0 HB2 GLU A 23 -6.201 -10.158 -6.010 1.00 64.31 H new ATOM 0 HB3 GLU A 23 -6.048 -11.310 -7.322 1.00 64.31 H new ATOM 0 HG2 GLU A 23 -3.898 -10.538 -5.308 1.00 40.15 H new ATOM 0 HG3 GLU A 23 -4.734 -12.074 -5.420 1.00 40.15 H new ATOM 391 N LEU A 24 -6.995 -7.936 -7.607 1.00 52.40 N ATOM 392 CA LEU A 24 -8.171 -7.190 -8.051 1.00 62.43 C ATOM 393 C LEU A 24 -7.818 -6.275 -9.235 1.00 72.32 C ATOM 394 O LEU A 24 -8.494 -6.301 -10.241 1.00 54.03 O ATOM 395 CB LEU A 24 -8.724 -6.356 -6.875 1.00 45.14 C ATOM 396 CG LEU A 24 -9.180 -7.146 -5.616 1.00 62.03 C ATOM 397 CD1 LEU A 24 -9.501 -6.186 -4.452 1.00 52.02 C ATOM 398 CD2 LEU A 24 -10.356 -8.084 -5.937 1.00 62.14 C ATOM 0 H LEU A 24 -6.734 -7.741 -6.640 1.00 52.40 H new ATOM 0 HA LEU A 24 -8.933 -7.895 -8.384 1.00 62.43 H new ATOM 0 HB2 LEU A 24 -7.956 -5.644 -6.571 1.00 45.14 H new ATOM 0 HB3 LEU A 24 -9.572 -5.775 -7.238 1.00 45.14 H new ATOM 0 HG LEU A 24 -8.353 -7.780 -5.295 1.00 62.03 H new ATOM 0 HD11 LEU A 24 -9.818 -6.762 -3.582 1.00 52.02 H new ATOM 0 HD12 LEU A 24 -8.611 -5.609 -4.201 1.00 52.02 H new ATOM 0 HD13 LEU A 24 -10.301 -5.508 -4.749 1.00 52.02 H new ATOM 0 HD21 LEU A 24 -10.650 -8.621 -5.035 1.00 62.14 H new ATOM 0 HD22 LEU A 24 -11.200 -7.498 -6.302 1.00 62.14 H new ATOM 0 HD23 LEU A 24 -10.053 -8.799 -6.702 1.00 62.14 H new ATOM 410 N ALA A 25 -6.716 -5.512 -9.109 1.00 74.34 N ATOM 411 CA ALA A 25 -6.260 -4.555 -10.146 1.00 31.51 C ATOM 412 C ALA A 25 -5.891 -5.277 -11.451 1.00 71.23 C ATOM 413 O ALA A 25 -6.194 -4.793 -12.544 1.00 2.12 O ATOM 414 CB ALA A 25 -5.069 -3.736 -9.632 1.00 44.44 C ATOM 0 H ALA A 25 -6.113 -5.539 -8.286 1.00 74.34 H new ATOM 0 HA ALA A 25 -7.086 -3.878 -10.362 1.00 31.51 H new ATOM 0 HB1 ALA A 25 -4.746 -3.038 -10.405 1.00 44.44 H new ATOM 0 HB2 ALA A 25 -5.366 -3.180 -8.743 1.00 44.44 H new ATOM 0 HB3 ALA A 25 -4.247 -4.407 -9.383 1.00 44.44 H new ATOM 420 N GLN A 26 -5.267 -6.461 -11.309 1.00 73.45 N ATOM 421 CA GLN A 26 -4.892 -7.324 -12.442 1.00 42.12 C ATOM 422 C GLN A 26 -6.154 -7.866 -13.147 1.00 62.12 C ATOM 423 O GLN A 26 -6.141 -8.099 -14.355 1.00 2.32 O ATOM 424 CB GLN A 26 -3.996 -8.502 -11.949 1.00 64.31 C ATOM 425 CG GLN A 26 -2.642 -8.085 -11.318 1.00 24.44 C ATOM 426 CD GLN A 26 -1.656 -7.442 -12.300 1.00 72.44 C ATOM 427 OE1 GLN A 26 -0.788 -6.574 -11.807 1.00 43.11 O flip ATOM 428 NE2 GLN A 26 -1.668 -7.728 -13.496 1.00 35.12 N flip ATOM 0 H GLN A 26 -5.008 -6.847 -10.401 1.00 73.45 H new ATOM 0 HA GLN A 26 -4.324 -6.731 -13.159 1.00 42.12 H new ATOM 0 HB2 GLN A 26 -4.557 -9.081 -11.216 1.00 64.31 H new ATOM 0 HB3 GLN A 26 -3.797 -9.163 -12.792 1.00 64.31 H new ATOM 0 HG2 GLN A 26 -2.834 -7.385 -10.505 1.00 24.44 H new ATOM 0 HG3 GLN A 26 -2.174 -8.965 -10.877 1.00 24.44 H new ATOM 0 HE21 GLN A 26 -2.347 -8.400 -13.853 1.00 35.12 H new ATOM 0 HE22 GLN A 26 -0.999 -7.293 -14.131 1.00 35.12 H new ATOM 437 N ARG A 27 -7.241 -8.068 -12.367 1.00 61.34 N ATOM 438 CA ARG A 27 -8.547 -8.537 -12.898 1.00 15.25 C ATOM 439 C ARG A 27 -9.528 -7.370 -13.196 1.00 20.40 C ATOM 440 O ARG A 27 -10.608 -7.601 -13.747 1.00 1.24 O ATOM 441 CB ARG A 27 -9.173 -9.551 -11.904 1.00 75.12 C ATOM 442 CG ARG A 27 -8.295 -10.800 -11.650 1.00 12.54 C ATOM 443 CD ARG A 27 -8.964 -11.825 -10.719 1.00 5.51 C ATOM 444 NE ARG A 27 -10.200 -12.378 -11.307 1.00 43.24 N ATOM 445 CZ ARG A 27 -10.307 -13.582 -11.903 1.00 0.45 C ATOM 446 NH1 ARG A 27 -9.259 -14.392 -11.995 1.00 25.01 N ATOM 447 NH2 ARG A 27 -11.453 -13.955 -12.432 1.00 33.44 N ATOM 0 H ARG A 27 -7.241 -7.913 -11.359 1.00 61.34 H new ATOM 0 HA ARG A 27 -8.362 -9.027 -13.854 1.00 15.25 H new ATOM 0 HB2 ARG A 27 -9.357 -9.048 -10.954 1.00 75.12 H new ATOM 0 HB3 ARG A 27 -10.142 -9.871 -12.288 1.00 75.12 H new ATOM 0 HG2 ARG A 27 -8.067 -11.277 -12.603 1.00 12.54 H new ATOM 0 HG3 ARG A 27 -7.346 -10.488 -11.215 1.00 12.54 H new ATOM 0 HD2 ARG A 27 -8.266 -12.636 -10.511 1.00 5.51 H new ATOM 0 HD3 ARG A 27 -9.196 -11.352 -9.765 1.00 5.51 H new ATOM 0 HE ARG A 27 -11.041 -11.803 -11.258 1.00 43.24 H new ATOM 0 HH11 ARG A 27 -8.358 -14.106 -11.612 1.00 25.01 H new ATOM 0 HH12 ARG A 27 -9.355 -15.300 -12.449 1.00 25.01 H new ATOM 0 HH21 ARG A 27 -12.260 -13.333 -12.391 1.00 33.44 H new ATOM 0 HH22 ARG A 27 -11.534 -14.866 -12.883 1.00 33.44 H new ATOM 461 N GLY A 28 -9.153 -6.129 -12.829 1.00 42.33 N ATOM 462 CA GLY A 28 -9.949 -4.928 -13.139 1.00 24.10 C ATOM 463 C GLY A 28 -11.111 -4.645 -12.173 1.00 22.23 C ATOM 464 O GLY A 28 -12.112 -4.028 -12.563 1.00 22.20 O ATOM 0 H GLY A 28 -8.295 -5.933 -12.313 1.00 42.33 H new ATOM 0 HA2 GLY A 28 -9.285 -4.064 -13.146 1.00 24.10 H new ATOM 0 HA3 GLY A 28 -10.352 -5.029 -14.147 1.00 24.10 H new ATOM 468 N GLU A 29 -10.974 -5.084 -10.913 1.00 64.43 N ATOM 469 CA GLU A 29 -11.977 -4.862 -9.841 1.00 12.11 C ATOM 470 C GLU A 29 -11.687 -3.539 -9.095 1.00 74.32 C ATOM 471 O GLU A 29 -11.393 -3.531 -7.887 1.00 35.43 O ATOM 472 CB GLU A 29 -11.957 -6.065 -8.860 1.00 45.22 C ATOM 473 CG GLU A 29 -12.200 -7.437 -9.511 1.00 25.11 C ATOM 474 CD GLU A 29 -13.619 -7.597 -10.082 1.00 31.11 C ATOM 475 OE1 GLU A 29 -13.805 -7.539 -11.319 1.00 15.01 O ATOM 476 OE2 GLU A 29 -14.561 -7.779 -9.288 1.00 22.21 O ATOM 0 H GLU A 29 -10.158 -5.609 -10.598 1.00 64.43 H new ATOM 0 HA GLU A 29 -12.969 -4.784 -10.285 1.00 12.11 H new ATOM 0 HB2 GLU A 29 -10.992 -6.086 -8.353 1.00 45.22 H new ATOM 0 HB3 GLU A 29 -12.716 -5.903 -8.094 1.00 45.22 H new ATOM 0 HG2 GLU A 29 -11.475 -7.585 -10.311 1.00 25.11 H new ATOM 0 HG3 GLU A 29 -12.023 -8.218 -8.772 1.00 25.11 H new ATOM 483 N TRP A 30 -11.811 -2.423 -9.832 1.00 70.43 N ATOM 484 CA TRP A 30 -11.438 -1.066 -9.354 1.00 71.44 C ATOM 485 C TRP A 30 -12.291 -0.620 -8.160 1.00 44.31 C ATOM 486 O TRP A 30 -11.846 0.174 -7.329 1.00 63.51 O ATOM 487 CB TRP A 30 -11.578 -0.032 -10.501 1.00 23.02 C ATOM 488 CG TRP A 30 -11.016 -0.512 -11.818 1.00 22.50 C ATOM 489 CD1 TRP A 30 -11.714 -0.740 -12.968 1.00 1.35 C ATOM 490 CD2 TRP A 30 -9.659 -0.867 -12.105 1.00 22.11 C ATOM 491 NE1 TRP A 30 -10.878 -1.184 -13.950 1.00 5.33 N ATOM 492 CE2 TRP A 30 -9.615 -1.275 -13.444 1.00 22.22 C ATOM 493 CE3 TRP A 30 -8.474 -0.867 -11.367 1.00 40.31 C ATOM 494 CZ2 TRP A 30 -8.444 -1.673 -14.064 1.00 71.23 C ATOM 495 CZ3 TRP A 30 -7.312 -1.280 -11.983 1.00 72.12 C ATOM 496 CH2 TRP A 30 -7.309 -1.676 -13.321 1.00 4.43 C ATOM 0 H TRP A 30 -12.175 -2.429 -10.785 1.00 70.43 H new ATOM 0 HA TRP A 30 -10.400 -1.118 -9.027 1.00 71.44 H new ATOM 0 HB2 TRP A 30 -12.632 0.212 -10.632 1.00 23.02 H new ATOM 0 HB3 TRP A 30 -11.071 0.889 -10.213 1.00 23.02 H new ATOM 0 HD1 TRP A 30 -12.777 -0.590 -13.084 1.00 1.35 H new ATOM 0 HE1 TRP A 30 -11.152 -1.411 -14.906 1.00 5.33 H new ATOM 0 HE3 TRP A 30 -8.468 -0.550 -10.335 1.00 40.31 H new ATOM 0 HZ2 TRP A 30 -8.434 -1.971 -15.102 1.00 71.23 H new ATOM 0 HZ3 TRP A 30 -6.390 -1.297 -11.421 1.00 72.12 H new ATOM 0 HH2 TRP A 30 -6.382 -1.992 -13.776 1.00 4.43 H new ATOM 507 N ASP A 31 -13.512 -1.151 -8.107 1.00 22.43 N ATOM 508 CA ASP A 31 -14.499 -0.855 -7.059 1.00 71.13 C ATOM 509 C ASP A 31 -13.964 -1.247 -5.676 1.00 60.33 C ATOM 510 O ASP A 31 -14.046 -0.468 -4.720 1.00 41.02 O ATOM 511 CB ASP A 31 -15.809 -1.624 -7.360 1.00 21.23 C ATOM 512 CG ASP A 31 -16.367 -1.312 -8.755 1.00 23.12 C ATOM 513 OD1 ASP A 31 -15.880 -1.902 -9.746 1.00 61.55 O ATOM 514 OD2 ASP A 31 -17.273 -0.457 -8.873 1.00 30.33 O ATOM 0 H ASP A 31 -13.854 -1.813 -8.804 1.00 22.43 H new ATOM 0 HA ASP A 31 -14.695 0.217 -7.053 1.00 71.13 H new ATOM 0 HB2 ASP A 31 -15.625 -2.695 -7.277 1.00 21.23 H new ATOM 0 HB3 ASP A 31 -16.556 -1.370 -6.608 1.00 21.23 H new ATOM 519 N LEU A 32 -13.384 -2.452 -5.601 1.00 12.31 N ATOM 520 CA LEU A 32 -12.824 -2.990 -4.353 1.00 32.51 C ATOM 521 C LEU A 32 -11.515 -2.273 -3.981 1.00 63.23 C ATOM 522 O LEU A 32 -11.153 -2.229 -2.805 1.00 40.33 O ATOM 523 CB LEU A 32 -12.620 -4.518 -4.466 1.00 42.02 C ATOM 524 CG LEU A 32 -13.902 -5.373 -4.731 1.00 30.34 C ATOM 525 CD1 LEU A 32 -13.560 -6.877 -4.766 1.00 61.50 C ATOM 526 CD2 LEU A 32 -15.008 -5.073 -3.692 1.00 22.21 C ATOM 0 H LEU A 32 -13.290 -3.079 -6.400 1.00 12.31 H new ATOM 0 HA LEU A 32 -13.536 -2.805 -3.549 1.00 32.51 H new ATOM 0 HB2 LEU A 32 -11.910 -4.709 -5.270 1.00 42.02 H new ATOM 0 HB3 LEU A 32 -12.159 -4.870 -3.543 1.00 42.02 H new ATOM 0 HG LEU A 32 -14.292 -5.093 -5.709 1.00 30.34 H new ATOM 0 HD11 LEU A 32 -14.467 -7.452 -4.952 1.00 61.50 H new ATOM 0 HD12 LEU A 32 -12.840 -7.068 -5.562 1.00 61.50 H new ATOM 0 HD13 LEU A 32 -13.131 -7.175 -3.809 1.00 61.50 H new ATOM 0 HD21 LEU A 32 -15.884 -5.685 -3.907 1.00 22.21 H new ATOM 0 HD22 LEU A 32 -14.640 -5.304 -2.692 1.00 22.21 H new ATOM 0 HD23 LEU A 32 -15.280 -4.019 -3.744 1.00 22.21 H new ATOM 538 N LEU A 33 -10.819 -1.700 -4.989 1.00 62.01 N ATOM 539 CA LEU A 33 -9.657 -0.817 -4.749 1.00 55.23 C ATOM 540 C LEU A 33 -10.109 0.471 -4.046 1.00 72.12 C ATOM 541 O LEU A 33 -9.511 0.864 -3.062 1.00 54.44 O ATOM 542 CB LEU A 33 -8.862 -0.482 -6.052 1.00 54.33 C ATOM 543 CG LEU A 33 -7.804 -1.540 -6.507 1.00 44.31 C ATOM 544 CD1 LEU A 33 -8.447 -2.883 -6.865 1.00 10.41 C ATOM 545 CD2 LEU A 33 -6.953 -1.001 -7.671 1.00 63.42 C ATOM 0 H LEU A 33 -11.042 -1.834 -5.975 1.00 62.01 H new ATOM 0 HA LEU A 33 -8.971 -1.365 -4.103 1.00 55.23 H new ATOM 0 HB2 LEU A 33 -9.577 -0.342 -6.863 1.00 54.33 H new ATOM 0 HB3 LEU A 33 -8.353 0.471 -5.907 1.00 54.33 H new ATOM 0 HG LEU A 33 -7.144 -1.722 -5.659 1.00 44.31 H new ATOM 0 HD11 LEU A 33 -7.673 -3.586 -7.175 1.00 10.41 H new ATOM 0 HD12 LEU A 33 -8.970 -3.280 -5.995 1.00 10.41 H new ATOM 0 HD13 LEU A 33 -9.156 -2.741 -7.681 1.00 10.41 H new ATOM 0 HD21 LEU A 33 -6.225 -1.755 -7.969 1.00 63.42 H new ATOM 0 HD22 LEU A 33 -7.600 -0.767 -8.517 1.00 63.42 H new ATOM 0 HD23 LEU A 33 -6.431 -0.099 -7.353 1.00 63.42 H new ATOM 557 N LEU A 34 -11.200 1.081 -4.547 1.00 73.23 N ATOM 558 CA LEU A 34 -11.748 2.345 -4.004 1.00 64.23 C ATOM 559 C LEU A 34 -12.391 2.122 -2.620 1.00 32.03 C ATOM 560 O LEU A 34 -12.402 3.029 -1.787 1.00 13.41 O ATOM 561 CB LEU A 34 -12.780 2.950 -4.999 1.00 60.21 C ATOM 562 CG LEU A 34 -12.239 3.287 -6.430 1.00 5.14 C ATOM 563 CD1 LEU A 34 -13.352 3.866 -7.333 1.00 20.33 C ATOM 564 CD2 LEU A 34 -11.018 4.232 -6.367 1.00 1.10 C ATOM 0 H LEU A 34 -11.728 0.714 -5.339 1.00 73.23 H new ATOM 0 HA LEU A 34 -10.926 3.050 -3.878 1.00 64.23 H new ATOM 0 HB2 LEU A 34 -13.609 2.250 -5.101 1.00 60.21 H new ATOM 0 HB3 LEU A 34 -13.185 3.862 -4.561 1.00 60.21 H new ATOM 0 HG LEU A 34 -11.905 2.352 -6.879 1.00 5.14 H new ATOM 0 HD11 LEU A 34 -12.942 4.089 -8.318 1.00 20.33 H new ATOM 0 HD12 LEU A 34 -14.157 3.137 -7.431 1.00 20.33 H new ATOM 0 HD13 LEU A 34 -13.743 4.781 -6.887 1.00 20.33 H new ATOM 0 HD21 LEU A 34 -10.670 4.444 -7.378 1.00 1.10 H new ATOM 0 HD22 LEU A 34 -11.304 5.164 -5.879 1.00 1.10 H new ATOM 0 HD23 LEU A 34 -10.218 3.756 -5.800 1.00 1.10 H new ATOM 576 N GLN A 35 -12.922 0.907 -2.398 1.00 23.45 N ATOM 577 CA GLN A 35 -13.551 0.501 -1.123 1.00 51.51 C ATOM 578 C GLN A 35 -12.490 0.366 -0.015 1.00 41.32 C ATOM 579 O GLN A 35 -12.608 0.943 1.074 1.00 4.14 O ATOM 580 CB GLN A 35 -14.293 -0.854 -1.323 1.00 11.43 C ATOM 581 CG GLN A 35 -14.912 -1.475 -0.045 1.00 12.44 C ATOM 582 CD GLN A 35 -16.021 -0.624 0.587 1.00 41.05 C ATOM 583 OE1 GLN A 35 -17.197 -0.769 0.251 1.00 35.41 O ATOM 584 NE2 GLN A 35 -15.654 0.268 1.497 1.00 74.13 N ATOM 0 H GLN A 35 -12.928 0.170 -3.103 1.00 23.45 H new ATOM 0 HA GLN A 35 -14.266 1.266 -0.819 1.00 51.51 H new ATOM 0 HB2 GLN A 35 -15.087 -0.708 -2.055 1.00 11.43 H new ATOM 0 HB3 GLN A 35 -13.593 -1.571 -1.751 1.00 11.43 H new ATOM 0 HG2 GLN A 35 -15.316 -2.457 -0.290 1.00 12.44 H new ATOM 0 HG3 GLN A 35 -14.123 -1.630 0.691 1.00 12.44 H new ATOM 0 HE21 GLN A 35 -14.671 0.362 1.752 1.00 74.13 H new ATOM 0 HE22 GLN A 35 -16.355 0.860 1.942 1.00 74.13 H new ATOM 593 N GLN A 36 -11.455 -0.410 -0.334 1.00 72.40 N ATOM 594 CA GLN A 36 -10.378 -0.791 0.592 1.00 71.11 C ATOM 595 C GLN A 36 -9.246 0.244 0.608 1.00 2.04 C ATOM 596 O GLN A 36 -8.332 0.120 1.419 1.00 22.12 O ATOM 597 CB GLN A 36 -9.893 -2.216 0.232 1.00 65.31 C ATOM 598 CG GLN A 36 -10.969 -3.306 0.482 1.00 1.33 C ATOM 599 CD GLN A 36 -10.682 -4.659 -0.172 1.00 40.21 C ATOM 600 OE1 GLN A 36 -10.163 -4.652 -1.391 1.00 71.14 O flip ATOM 601 NE2 GLN A 36 -11.006 -5.704 0.384 1.00 3.41 N flip ATOM 0 H GLN A 36 -11.335 -0.804 -1.267 1.00 72.40 H new ATOM 0 HA GLN A 36 -10.760 -0.807 1.613 1.00 71.11 H new ATOM 0 HB2 GLN A 36 -9.598 -2.239 -0.817 1.00 65.31 H new ATOM 0 HB3 GLN A 36 -9.004 -2.450 0.818 1.00 65.31 H new ATOM 0 HG2 GLN A 36 -11.072 -3.454 1.557 1.00 1.33 H new ATOM 0 HG3 GLN A 36 -11.928 -2.939 0.117 1.00 1.33 H new ATOM 0 HE21 GLN A 36 -11.403 -5.680 1.323 1.00 3.41 H new ATOM 0 HE22 GLN A 36 -10.878 -6.596 -0.093 1.00 3.41 H new ATOM 610 N GLU A 37 -9.299 1.213 -0.333 1.00 21.05 N ATOM 611 CA GLU A 37 -8.372 2.366 -0.407 1.00 44.24 C ATOM 612 C GLU A 37 -8.168 3.033 0.961 1.00 13.50 C ATOM 613 O GLU A 37 -7.042 3.087 1.455 1.00 2.42 O ATOM 614 CB GLU A 37 -8.917 3.401 -1.423 1.00 34.12 C ATOM 615 CG GLU A 37 -8.167 4.745 -1.465 1.00 34.15 C ATOM 616 CD GLU A 37 -8.785 5.729 -2.453 1.00 64.40 C ATOM 617 OE1 GLU A 37 -9.657 6.530 -2.033 1.00 12.11 O ATOM 618 OE2 GLU A 37 -8.435 5.682 -3.650 1.00 44.02 O ATOM 0 H GLU A 37 -9.999 1.216 -1.075 1.00 21.05 H new ATOM 0 HA GLU A 37 -7.401 1.994 -0.735 1.00 44.24 H new ATOM 0 HB2 GLU A 37 -8.888 2.957 -2.418 1.00 34.12 H new ATOM 0 HB3 GLU A 37 -9.964 3.596 -1.191 1.00 34.12 H new ATOM 0 HG2 GLU A 37 -8.166 5.188 -0.469 1.00 34.15 H new ATOM 0 HG3 GLU A 37 -7.126 4.568 -1.736 1.00 34.15 H new ATOM 625 N VAL A 38 -9.284 3.501 1.562 1.00 32.33 N ATOM 626 CA VAL A 38 -9.271 4.197 2.864 1.00 62.33 C ATOM 627 C VAL A 38 -8.572 3.343 3.937 1.00 51.31 C ATOM 628 O VAL A 38 -7.725 3.838 4.676 1.00 71.25 O ATOM 629 CB VAL A 38 -10.733 4.592 3.321 1.00 62.42 C ATOM 630 CG1 VAL A 38 -11.664 3.360 3.454 1.00 61.34 C ATOM 631 CG2 VAL A 38 -10.713 5.433 4.625 1.00 72.13 C ATOM 0 H VAL A 38 -10.216 3.406 1.158 1.00 32.33 H new ATOM 0 HA VAL A 38 -8.703 5.119 2.740 1.00 62.33 H new ATOM 0 HB VAL A 38 -11.150 5.216 2.530 1.00 62.42 H new ATOM 0 HG11 VAL A 38 -12.655 3.685 3.770 1.00 61.34 H new ATOM 0 HG12 VAL A 38 -11.738 2.854 2.491 1.00 61.34 H new ATOM 0 HG13 VAL A 38 -11.255 2.673 4.194 1.00 61.34 H new ATOM 0 HG21 VAL A 38 -11.734 5.687 4.910 1.00 72.13 H new ATOM 0 HG22 VAL A 38 -10.246 4.856 5.423 1.00 72.13 H new ATOM 0 HG23 VAL A 38 -10.145 6.348 4.459 1.00 72.13 H new ATOM 641 N SER A 39 -8.865 2.038 3.926 1.00 23.45 N ATOM 642 CA SER A 39 -8.336 1.084 4.894 1.00 62.12 C ATOM 643 C SER A 39 -6.814 0.902 4.725 1.00 51.12 C ATOM 644 O SER A 39 -6.069 0.991 5.696 1.00 51.53 O ATOM 645 CB SER A 39 -9.080 -0.250 4.723 1.00 73.30 C ATOM 646 OG SER A 39 -10.490 -0.057 4.823 1.00 14.33 O ATOM 0 H SER A 39 -9.484 1.614 3.235 1.00 23.45 H new ATOM 0 HA SER A 39 -8.496 1.463 5.904 1.00 62.12 H new ATOM 0 HB2 SER A 39 -8.835 -0.687 3.755 1.00 73.30 H new ATOM 0 HB3 SER A 39 -8.750 -0.957 5.484 1.00 73.30 H new ATOM 0 HG SER A 39 -10.947 -0.917 4.710 1.00 14.33 H new ATOM 652 N TYR A 40 -6.381 0.695 3.468 1.00 32.31 N ATOM 653 CA TYR A 40 -4.969 0.461 3.107 1.00 22.21 C ATOM 654 C TYR A 40 -4.088 1.676 3.437 1.00 44.02 C ATOM 655 O TYR A 40 -3.020 1.530 4.033 1.00 51.15 O ATOM 656 CB TYR A 40 -4.869 0.111 1.601 1.00 64.44 C ATOM 657 CG TYR A 40 -3.445 -0.195 1.094 1.00 74.53 C ATOM 658 CD1 TYR A 40 -2.825 0.603 0.133 1.00 73.33 C ATOM 659 CD2 TYR A 40 -2.728 -1.292 1.574 1.00 3.13 C ATOM 660 CE1 TYR A 40 -1.558 0.317 -0.337 1.00 34.10 C ATOM 661 CE2 TYR A 40 -1.462 -1.572 1.111 1.00 32.40 C ATOM 662 CZ TYR A 40 -0.878 -0.770 0.156 1.00 24.24 C ATOM 663 OH TYR A 40 0.386 -1.066 -0.314 1.00 60.14 O ATOM 0 H TYR A 40 -7.009 0.685 2.664 1.00 32.31 H new ATOM 0 HA TYR A 40 -4.600 -0.376 3.700 1.00 22.21 H new ATOM 0 HB2 TYR A 40 -5.502 -0.753 1.402 1.00 64.44 H new ATOM 0 HB3 TYR A 40 -5.273 0.942 1.023 1.00 64.44 H new ATOM 0 HD1 TYR A 40 -3.348 1.465 -0.253 1.00 73.33 H new ATOM 0 HD2 TYR A 40 -3.174 -1.932 2.321 1.00 3.13 H new ATOM 0 HE1 TYR A 40 -1.104 0.945 -1.089 1.00 34.10 H new ATOM 0 HE2 TYR A 40 -0.924 -2.425 1.499 1.00 32.40 H new ATOM 0 HH TYR A 40 0.756 -1.818 0.193 1.00 60.14 H new ATOM 673 N LEU A 41 -4.561 2.870 3.040 1.00 10.51 N ATOM 674 CA LEU A 41 -3.834 4.136 3.246 1.00 35.04 C ATOM 675 C LEU A 41 -3.740 4.471 4.745 1.00 33.53 C ATOM 676 O LEU A 41 -2.698 4.951 5.223 1.00 20.44 O ATOM 677 CB LEU A 41 -4.511 5.294 2.466 1.00 75.32 C ATOM 678 CG LEU A 41 -4.573 5.131 0.911 1.00 51.33 C ATOM 679 CD1 LEU A 41 -5.250 6.354 0.244 1.00 73.11 C ATOM 680 CD2 LEU A 41 -3.172 4.856 0.312 1.00 53.21 C ATOM 0 H LEU A 41 -5.458 2.985 2.567 1.00 10.51 H new ATOM 0 HA LEU A 41 -2.822 4.013 2.860 1.00 35.04 H new ATOM 0 HB2 LEU A 41 -5.528 5.411 2.840 1.00 75.32 H new ATOM 0 HB3 LEU A 41 -3.979 6.218 2.693 1.00 75.32 H new ATOM 0 HG LEU A 41 -5.191 4.259 0.696 1.00 51.33 H new ATOM 0 HD11 LEU A 41 -5.278 6.210 -0.836 1.00 73.11 H new ATOM 0 HD12 LEU A 41 -6.267 6.458 0.622 1.00 73.11 H new ATOM 0 HD13 LEU A 41 -4.682 7.255 0.476 1.00 73.11 H new ATOM 0 HD21 LEU A 41 -3.253 4.748 -0.770 1.00 53.21 H new ATOM 0 HD22 LEU A 41 -2.507 5.688 0.545 1.00 53.21 H new ATOM 0 HD23 LEU A 41 -2.768 3.938 0.739 1.00 53.21 H new ATOM 692 N GLN A 42 -4.831 4.190 5.487 1.00 55.31 N ATOM 693 CA GLN A 42 -4.856 4.399 6.940 1.00 34.53 C ATOM 694 C GLN A 42 -3.995 3.349 7.672 1.00 53.41 C ATOM 695 O GLN A 42 -3.447 3.652 8.730 1.00 21.42 O ATOM 696 CB GLN A 42 -6.304 4.458 7.486 1.00 30.31 C ATOM 697 CG GLN A 42 -7.086 5.718 7.032 1.00 60.11 C ATOM 698 CD GLN A 42 -8.515 5.796 7.577 1.00 24.51 C ATOM 699 OE1 GLN A 42 -9.156 4.779 7.832 1.00 43.24 O ATOM 700 NE2 GLN A 42 -9.039 7.001 7.720 1.00 24.34 N ATOM 0 H GLN A 42 -5.700 3.820 5.101 1.00 55.31 H new ATOM 0 HA GLN A 42 -4.410 5.373 7.142 1.00 34.53 H new ATOM 0 HB2 GLN A 42 -6.843 3.569 7.160 1.00 30.31 H new ATOM 0 HB3 GLN A 42 -6.274 4.431 8.575 1.00 30.31 H new ATOM 0 HG2 GLN A 42 -6.539 6.606 7.349 1.00 60.11 H new ATOM 0 HG3 GLN A 42 -7.122 5.737 5.943 1.00 60.11 H new ATOM 0 HE21 GLN A 42 -8.484 7.828 7.501 1.00 24.34 H new ATOM 0 HE22 GLN A 42 -9.999 7.104 8.050 1.00 24.34 H new ATOM 709 N SER A 43 -3.848 2.140 7.086 1.00 71.12 N ATOM 710 CA SER A 43 -2.941 1.092 7.617 1.00 41.52 C ATOM 711 C SER A 43 -1.465 1.540 7.462 1.00 31.24 C ATOM 712 O SER A 43 -0.645 1.381 8.384 1.00 10.32 O ATOM 713 CB SER A 43 -3.189 -0.263 6.905 1.00 62.43 C ATOM 714 OG SER A 43 -4.505 -0.740 7.129 1.00 11.02 O ATOM 0 H SER A 43 -4.348 1.863 6.241 1.00 71.12 H new ATOM 0 HA SER A 43 -3.150 0.952 8.677 1.00 41.52 H new ATOM 0 HB2 SER A 43 -3.021 -0.147 5.834 1.00 62.43 H new ATOM 0 HB3 SER A 43 -2.469 -0.999 7.263 1.00 62.43 H new ATOM 0 HG SER A 43 -5.149 -0.128 6.716 1.00 11.02 H new ATOM 720 N ILE A 44 -1.173 2.127 6.289 1.00 72.14 N ATOM 721 CA ILE A 44 0.136 2.703 5.943 1.00 42.34 C ATOM 722 C ILE A 44 0.549 3.781 6.965 1.00 11.04 C ATOM 723 O ILE A 44 1.615 3.689 7.600 1.00 74.52 O ATOM 724 CB ILE A 44 0.072 3.304 4.476 1.00 22.43 C ATOM 725 CG1 ILE A 44 0.131 2.159 3.404 1.00 52.11 C ATOM 726 CG2 ILE A 44 1.146 4.390 4.228 1.00 61.15 C ATOM 727 CD1 ILE A 44 -0.033 2.616 1.961 1.00 64.34 C ATOM 0 H ILE A 44 -1.857 2.216 5.538 1.00 72.14 H new ATOM 0 HA ILE A 44 0.892 1.919 5.973 1.00 42.34 H new ATOM 0 HB ILE A 44 -0.888 3.810 4.375 1.00 22.43 H new ATOM 0 HG12 ILE A 44 1.086 1.643 3.499 1.00 52.11 H new ATOM 0 HG13 ILE A 44 -0.649 1.431 3.629 1.00 52.11 H new ATOM 0 HG21 ILE A 44 1.055 4.765 3.209 1.00 61.15 H new ATOM 0 HG22 ILE A 44 1.003 5.211 4.931 1.00 61.15 H new ATOM 0 HG23 ILE A 44 2.138 3.960 4.369 1.00 61.15 H new ATOM 0 HD11 ILE A 44 0.022 1.753 1.298 1.00 64.34 H new ATOM 0 HD12 ILE A 44 -1.000 3.104 1.842 1.00 64.34 H new ATOM 0 HD13 ILE A 44 0.761 3.319 1.709 1.00 64.34 H new ATOM 739 N GLU A 45 -0.324 4.783 7.137 1.00 62.22 N ATOM 740 CA GLU A 45 -0.021 5.940 7.988 1.00 22.45 C ATOM 741 C GLU A 45 0.029 5.539 9.470 1.00 14.52 C ATOM 742 O GLU A 45 0.826 6.097 10.217 1.00 74.34 O ATOM 743 CB GLU A 45 -1.045 7.074 7.763 1.00 40.43 C ATOM 744 CG GLU A 45 -2.468 6.718 8.202 1.00 31.43 C ATOM 745 CD GLU A 45 -3.487 7.837 8.008 1.00 72.33 C ATOM 746 OE1 GLU A 45 -3.718 8.609 8.960 1.00 44.50 O ATOM 747 OE2 GLU A 45 -4.066 7.949 6.912 1.00 70.32 O ATOM 0 H GLU A 45 -1.244 4.815 6.698 1.00 62.22 H new ATOM 0 HA GLU A 45 0.964 6.311 7.706 1.00 22.45 H new ATOM 0 HB2 GLU A 45 -0.718 7.960 8.308 1.00 40.43 H new ATOM 0 HB3 GLU A 45 -1.056 7.336 6.705 1.00 40.43 H new ATOM 0 HG2 GLU A 45 -2.799 5.842 7.644 1.00 31.43 H new ATOM 0 HG3 GLU A 45 -2.451 6.438 9.255 1.00 31.43 H new ATOM 754 N THR A 46 -0.814 4.556 9.888 1.00 64.10 N ATOM 755 CA THR A 46 -0.864 4.134 11.300 1.00 42.33 C ATOM 756 C THR A 46 0.364 3.277 11.678 1.00 2.13 C ATOM 757 O THR A 46 0.795 3.330 12.826 1.00 3.35 O ATOM 758 CB THR A 46 -2.201 3.401 11.684 1.00 4.23 C ATOM 759 OG1 THR A 46 -2.318 3.282 13.114 1.00 74.40 O ATOM 760 CG2 THR A 46 -2.305 1.998 11.079 1.00 5.33 C ATOM 0 H THR A 46 -1.455 4.054 9.273 1.00 64.10 H new ATOM 0 HA THR A 46 -0.837 5.053 11.886 1.00 42.33 H new ATOM 0 HB THR A 46 -3.006 4.013 11.277 1.00 4.23 H new ATOM 0 HG1 THR A 46 -3.156 2.825 13.337 1.00 74.40 H new ATOM 0 HG21 THR A 46 -3.248 1.542 11.379 1.00 5.33 H new ATOM 0 HG22 THR A 46 -2.264 2.067 9.992 1.00 5.33 H new ATOM 0 HG23 THR A 46 -1.476 1.386 11.435 1.00 5.33 H new ATOM 768 N VAL A 47 0.944 2.504 10.721 1.00 54.21 N ATOM 769 CA VAL A 47 2.182 1.732 11.004 1.00 63.53 C ATOM 770 C VAL A 47 3.405 2.667 11.020 1.00 41.51 C ATOM 771 O VAL A 47 4.309 2.508 11.846 1.00 30.13 O ATOM 772 CB VAL A 47 2.429 0.542 9.999 1.00 33.13 C ATOM 773 CG1 VAL A 47 2.959 1.012 8.627 1.00 44.10 C ATOM 774 CG2 VAL A 47 3.373 -0.508 10.619 1.00 44.03 C ATOM 0 H VAL A 47 0.585 2.400 9.772 1.00 54.21 H new ATOM 0 HA VAL A 47 2.040 1.284 11.988 1.00 63.53 H new ATOM 0 HB VAL A 47 1.458 0.082 9.816 1.00 33.13 H new ATOM 0 HG11 VAL A 47 3.109 0.148 7.980 1.00 44.10 H new ATOM 0 HG12 VAL A 47 2.236 1.687 8.169 1.00 44.10 H new ATOM 0 HG13 VAL A 47 3.907 1.533 8.762 1.00 44.10 H new ATOM 0 HG21 VAL A 47 3.530 -1.320 9.909 1.00 44.03 H new ATOM 0 HG22 VAL A 47 4.330 -0.043 10.855 1.00 44.03 H new ATOM 0 HG23 VAL A 47 2.927 -0.904 11.531 1.00 44.03 H new ATOM 784 N MET A 48 3.400 3.659 10.099 1.00 55.21 N ATOM 785 CA MET A 48 4.470 4.671 10.008 1.00 10.05 C ATOM 786 C MET A 48 4.351 5.663 11.184 1.00 0.23 C ATOM 787 O MET A 48 5.320 6.347 11.544 1.00 11.10 O ATOM 788 CB MET A 48 4.410 5.390 8.629 1.00 65.33 C ATOM 789 CG MET A 48 5.587 6.339 8.339 1.00 14.34 C ATOM 790 SD MET A 48 5.546 7.033 6.666 1.00 35.23 S ATOM 791 CE MET A 48 5.745 5.567 5.644 1.00 63.24 C ATOM 0 H MET A 48 2.661 3.777 9.406 1.00 55.21 H new ATOM 0 HA MET A 48 5.443 4.186 10.080 1.00 10.05 H new ATOM 0 HB2 MET A 48 4.370 4.635 7.844 1.00 65.33 H new ATOM 0 HB3 MET A 48 3.482 5.959 8.573 1.00 65.33 H new ATOM 0 HG2 MET A 48 5.576 7.153 9.064 1.00 14.34 H new ATOM 0 HG3 MET A 48 6.524 5.800 8.479 1.00 14.34 H new ATOM 0 HE1 MET A 48 6.055 5.862 4.641 1.00 63.24 H new ATOM 0 HE2 MET A 48 6.504 4.918 6.082 1.00 63.24 H new ATOM 0 HE3 MET A 48 4.798 5.031 5.588 1.00 63.24 H new ATOM 801 N GLU A 49 3.142 5.715 11.786 1.00 71.01 N ATOM 802 CA GLU A 49 2.896 6.455 13.026 1.00 52.21 C ATOM 803 C GLU A 49 3.582 5.746 14.208 1.00 0.44 C ATOM 804 O GLU A 49 4.108 6.408 15.107 1.00 50.44 O ATOM 805 CB GLU A 49 1.369 6.594 13.284 1.00 44.44 C ATOM 806 CG GLU A 49 0.980 7.552 14.425 1.00 51.33 C ATOM 807 CD GLU A 49 1.428 8.999 14.161 1.00 1.32 C ATOM 808 OE1 GLU A 49 2.488 9.417 14.682 1.00 23.12 O ATOM 809 OE2 GLU A 49 0.725 9.725 13.417 1.00 24.15 O ATOM 0 H GLU A 49 2.315 5.243 11.420 1.00 71.01 H new ATOM 0 HA GLU A 49 3.317 7.456 12.927 1.00 52.21 H new ATOM 0 HB2 GLU A 49 0.892 6.936 12.366 1.00 44.44 H new ATOM 0 HB3 GLU A 49 0.963 5.607 13.506 1.00 44.44 H new ATOM 0 HG2 GLU A 49 -0.101 7.529 14.561 1.00 51.33 H new ATOM 0 HG3 GLU A 49 1.425 7.202 15.356 1.00 51.33 H new ATOM 923 N THR A 57 15.013 -6.751 16.861 1.00 61.54 N ATOM 924 CA THR A 57 15.434 -8.166 16.905 1.00 12.50 C ATOM 925 C THR A 57 15.145 -8.884 15.570 1.00 40.54 C ATOM 926 O THR A 57 14.236 -8.487 14.835 1.00 4.23 O ATOM 927 CB THR A 57 14.730 -8.919 18.084 1.00 61.20 C ATOM 928 OG1 THR A 57 15.088 -10.313 18.089 1.00 1.31 O ATOM 929 CG2 THR A 57 13.201 -8.784 18.018 1.00 53.01 C ATOM 0 HA THR A 57 16.511 -8.180 17.071 1.00 12.50 H new ATOM 0 HB THR A 57 15.076 -8.453 19.007 1.00 61.20 H new ATOM 0 HG1 THR A 57 14.639 -10.763 18.834 1.00 1.31 H new ATOM 0 HG21 THR A 57 12.752 -9.321 18.854 1.00 53.01 H new ATOM 0 HG22 THR A 57 12.926 -7.731 18.073 1.00 53.01 H new ATOM 0 HG23 THR A 57 12.839 -9.205 17.080 1.00 53.01 H new ATOM 937 N ARG A 58 15.914 -9.960 15.302 1.00 43.44 N ATOM 938 CA ARG A 58 15.890 -10.701 14.022 1.00 74.54 C ATOM 939 C ARG A 58 14.487 -11.214 13.665 1.00 20.34 C ATOM 940 O ARG A 58 14.098 -11.148 12.502 1.00 24.45 O ATOM 941 CB ARG A 58 16.902 -11.881 14.061 1.00 71.00 C ATOM 942 CG ARG A 58 18.388 -11.453 14.044 1.00 30.24 C ATOM 943 CD ARG A 58 18.767 -10.721 12.746 1.00 21.24 C ATOM 944 NE ARG A 58 20.200 -10.372 12.687 1.00 24.43 N ATOM 945 CZ ARG A 58 20.910 -10.229 11.555 1.00 70.04 C ATOM 946 NH1 ARG A 58 20.348 -10.402 10.360 1.00 3.43 N ATOM 947 NH2 ARG A 58 22.189 -9.891 11.622 1.00 30.52 N ATOM 0 H ARG A 58 16.577 -10.344 15.976 1.00 43.44 H new ATOM 0 HA ARG A 58 16.182 -9.999 13.241 1.00 74.54 H new ATOM 0 HB2 ARG A 58 16.717 -12.472 14.958 1.00 71.00 H new ATOM 0 HB3 ARG A 58 16.715 -12.532 13.207 1.00 71.00 H new ATOM 0 HG2 ARG A 58 18.587 -10.804 14.897 1.00 30.24 H new ATOM 0 HG3 ARG A 58 19.019 -12.334 14.160 1.00 30.24 H new ATOM 0 HD2 ARG A 58 18.515 -11.350 11.892 1.00 21.24 H new ATOM 0 HD3 ARG A 58 18.172 -9.812 12.659 1.00 21.24 H new ATOM 0 HE ARG A 58 20.688 -10.229 13.571 1.00 24.43 H new ATOM 0 HH11 ARG A 58 19.360 -10.648 10.292 1.00 3.43 H new ATOM 0 HH12 ARG A 58 20.905 -10.289 9.513 1.00 3.43 H new ATOM 0 HH21 ARG A 58 22.630 -9.741 12.529 1.00 30.52 H new ATOM 0 HH22 ARG A 58 22.733 -9.781 10.766 1.00 30.52 H new ATOM 961 N SER A 59 13.740 -11.698 14.673 1.00 31.35 N ATOM 962 CA SER A 59 12.369 -12.215 14.481 1.00 4.04 C ATOM 963 C SER A 59 11.460 -11.151 13.821 1.00 33.33 C ATOM 964 O SER A 59 10.928 -11.370 12.711 1.00 12.31 O ATOM 965 CB SER A 59 11.794 -12.674 15.835 1.00 63.11 C ATOM 966 OG SER A 59 11.893 -11.646 16.810 1.00 72.11 O ATOM 0 H SER A 59 14.065 -11.743 15.639 1.00 31.35 H new ATOM 0 HA SER A 59 12.407 -13.071 13.807 1.00 4.04 H new ATOM 0 HB2 SER A 59 10.750 -12.962 15.711 1.00 63.11 H new ATOM 0 HB3 SER A 59 12.330 -13.558 16.180 1.00 63.11 H new ATOM 0 HG SER A 59 11.520 -11.963 17.659 1.00 72.11 H new ATOM 972 N ILE A 60 11.354 -9.981 14.487 1.00 2.32 N ATOM 973 CA ILE A 60 10.557 -8.842 14.001 1.00 20.31 C ATOM 974 C ILE A 60 11.091 -8.368 12.643 1.00 55.22 C ATOM 975 O ILE A 60 10.320 -8.161 11.723 1.00 53.25 O ATOM 976 CB ILE A 60 10.567 -7.633 15.011 1.00 33.22 C ATOM 977 CG1 ILE A 60 10.032 -8.056 16.409 1.00 72.00 C ATOM 978 CG2 ILE A 60 9.763 -6.418 14.466 1.00 33.33 C ATOM 979 CD1 ILE A 60 10.092 -6.951 17.456 1.00 71.21 C ATOM 0 H ILE A 60 11.820 -9.803 15.377 1.00 2.32 H new ATOM 0 HA ILE A 60 9.529 -9.190 13.902 1.00 20.31 H new ATOM 0 HB ILE A 60 11.606 -7.323 15.122 1.00 33.22 H new ATOM 0 HG12 ILE A 60 8.999 -8.389 16.306 1.00 72.00 H new ATOM 0 HG13 ILE A 60 10.608 -8.910 16.764 1.00 72.00 H new ATOM 0 HG21 ILE A 60 9.794 -5.606 15.192 1.00 33.33 H new ATOM 0 HG22 ILE A 60 10.203 -6.082 13.527 1.00 33.33 H new ATOM 0 HG23 ILE A 60 8.728 -6.713 14.297 1.00 33.33 H new ATOM 0 HD11 ILE A 60 9.701 -7.325 18.402 1.00 71.21 H new ATOM 0 HD12 ILE A 60 11.126 -6.633 17.590 1.00 71.21 H new ATOM 0 HD13 ILE A 60 9.492 -6.103 17.125 1.00 71.21 H new ATOM 991 N GLN A 61 12.429 -8.247 12.538 1.00 15.45 N ATOM 992 CA GLN A 61 13.096 -7.717 11.334 1.00 5.20 C ATOM 993 C GLN A 61 12.760 -8.553 10.090 1.00 62.33 C ATOM 994 O GLN A 61 12.448 -7.990 9.057 1.00 11.32 O ATOM 995 CB GLN A 61 14.638 -7.618 11.530 1.00 71.13 C ATOM 996 CG GLN A 61 15.394 -7.044 10.308 1.00 44.33 C ATOM 997 CD GLN A 61 16.861 -6.716 10.592 1.00 24.02 C ATOM 998 OE1 GLN A 61 17.188 -5.597 10.978 1.00 34.44 O ATOM 999 NE2 GLN A 61 17.750 -7.681 10.402 1.00 45.41 N ATOM 0 H GLN A 61 13.074 -8.513 13.282 1.00 15.45 H new ATOM 0 HA GLN A 61 12.713 -6.709 11.175 1.00 5.20 H new ATOM 0 HB2 GLN A 61 14.844 -6.992 12.398 1.00 71.13 H new ATOM 0 HB3 GLN A 61 15.030 -8.610 11.753 1.00 71.13 H new ATOM 0 HG2 GLN A 61 15.343 -7.763 9.490 1.00 44.33 H new ATOM 0 HG3 GLN A 61 14.887 -6.140 9.970 1.00 44.33 H new ATOM 0 HE21 GLN A 61 17.445 -8.600 10.081 1.00 45.41 H new ATOM 0 HE22 GLN A 61 18.739 -7.505 10.577 1.00 45.41 H new ATOM 1008 N ASP A 62 12.778 -9.889 10.223 1.00 41.12 N ATOM 1009 CA ASP A 62 12.506 -10.809 9.095 1.00 13.34 C ATOM 1010 C ASP A 62 11.013 -10.847 8.740 1.00 20.14 C ATOM 1011 O ASP A 62 10.667 -10.834 7.550 1.00 50.32 O ATOM 1012 CB ASP A 62 13.018 -12.244 9.401 1.00 33.22 C ATOM 1013 CG ASP A 62 14.549 -12.378 9.299 1.00 22.41 C ATOM 1014 OD1 ASP A 62 15.083 -12.359 8.168 1.00 34.13 O ATOM 1015 OD2 ASP A 62 15.230 -12.517 10.336 1.00 23.14 O ATOM 0 H ASP A 62 12.979 -10.363 11.104 1.00 41.12 H new ATOM 0 HA ASP A 62 13.050 -10.422 8.234 1.00 13.34 H new ATOM 0 HB2 ASP A 62 12.701 -12.529 10.404 1.00 33.22 H new ATOM 0 HB3 ASP A 62 12.552 -12.944 8.708 1.00 33.22 H new ATOM 1020 N MET A 63 10.136 -10.910 9.765 1.00 64.20 N ATOM 1021 CA MET A 63 8.669 -10.957 9.551 1.00 33.14 C ATOM 1022 C MET A 63 8.188 -9.654 8.893 1.00 45.31 C ATOM 1023 O MET A 63 7.578 -9.679 7.813 1.00 50.41 O ATOM 1024 CB MET A 63 7.916 -11.217 10.883 1.00 43.32 C ATOM 1025 CG MET A 63 8.201 -12.587 11.508 1.00 25.03 C ATOM 1026 SD MET A 63 7.269 -12.875 13.025 1.00 43.42 S ATOM 1027 CE MET A 63 7.868 -11.584 14.113 1.00 43.40 C ATOM 0 H MET A 63 10.415 -10.930 10.746 1.00 64.20 H new ATOM 0 HA MET A 63 8.446 -11.787 8.881 1.00 33.14 H new ATOM 0 HB2 MET A 63 8.187 -10.440 11.598 1.00 43.32 H new ATOM 0 HB3 MET A 63 6.844 -11.127 10.705 1.00 43.32 H new ATOM 0 HG2 MET A 63 7.960 -13.367 10.786 1.00 25.03 H new ATOM 0 HG3 MET A 63 9.267 -12.669 11.721 1.00 25.03 H new ATOM 0 HE1 MET A 63 7.281 -11.581 15.031 1.00 43.40 H new ATOM 0 HE2 MET A 63 8.915 -11.767 14.353 1.00 43.40 H new ATOM 0 HE3 MET A 63 7.773 -10.618 13.618 1.00 43.40 H new ATOM 1037 N VAL A 64 8.526 -8.527 9.537 1.00 10.13 N ATOM 1038 CA VAL A 64 8.218 -7.177 9.046 1.00 2.31 C ATOM 1039 C VAL A 64 8.820 -6.943 7.650 1.00 52.21 C ATOM 1040 O VAL A 64 8.121 -6.446 6.785 1.00 33.51 O ATOM 1041 CB VAL A 64 8.697 -6.081 10.079 1.00 1.31 C ATOM 1042 CG1 VAL A 64 8.726 -4.656 9.485 1.00 42.24 C ATOM 1043 CG2 VAL A 64 7.811 -6.123 11.350 1.00 71.35 C ATOM 0 H VAL A 64 9.028 -8.528 10.425 1.00 10.13 H new ATOM 0 HA VAL A 64 7.136 -7.089 8.950 1.00 2.31 H new ATOM 0 HB VAL A 64 9.727 -6.324 10.342 1.00 1.31 H new ATOM 0 HG11 VAL A 64 9.063 -3.952 10.245 1.00 42.24 H new ATOM 0 HG12 VAL A 64 9.410 -4.629 8.637 1.00 42.24 H new ATOM 0 HG13 VAL A 64 7.725 -4.380 9.153 1.00 42.24 H new ATOM 0 HG21 VAL A 64 8.150 -5.364 12.055 1.00 71.35 H new ATOM 0 HG22 VAL A 64 6.774 -5.928 11.077 1.00 71.35 H new ATOM 0 HG23 VAL A 64 7.885 -7.107 11.813 1.00 71.35 H new ATOM 1053 N ALA A 65 10.091 -7.363 7.427 1.00 3.43 N ATOM 1054 CA ALA A 65 10.750 -7.244 6.095 1.00 73.30 C ATOM 1055 C ALA A 65 10.011 -8.063 5.031 1.00 53.33 C ATOM 1056 O ALA A 65 9.973 -7.674 3.861 1.00 45.32 O ATOM 1057 CB ALA A 65 12.214 -7.688 6.131 1.00 23.53 C ATOM 0 H ALA A 65 10.679 -7.785 8.145 1.00 3.43 H new ATOM 0 HA ALA A 65 10.712 -6.186 5.834 1.00 73.30 H new ATOM 0 HB1 ALA A 65 12.651 -7.583 5.138 1.00 23.53 H new ATOM 0 HB2 ALA A 65 12.765 -7.067 6.837 1.00 23.53 H new ATOM 0 HB3 ALA A 65 12.270 -8.731 6.444 1.00 23.53 H new ATOM 1063 N GLY A 66 9.443 -9.207 5.463 1.00 52.14 N ATOM 1064 CA GLY A 66 8.619 -10.050 4.603 1.00 5.32 C ATOM 1065 C GLY A 66 7.380 -9.315 4.128 1.00 11.14 C ATOM 1066 O GLY A 66 7.099 -9.261 2.927 1.00 20.34 O ATOM 0 H GLY A 66 9.547 -9.562 6.413 1.00 52.14 H new ATOM 0 HA2 GLY A 66 9.203 -10.375 3.742 1.00 5.32 H new ATOM 0 HA3 GLY A 66 8.325 -10.948 5.146 1.00 5.32 H new ATOM 1070 N TYR A 67 6.687 -8.682 5.088 1.00 52.34 N ATOM 1071 CA TYR A 67 5.482 -7.885 4.821 1.00 61.21 C ATOM 1072 C TYR A 67 5.819 -6.597 4.045 1.00 21.55 C ATOM 1073 O TYR A 67 5.002 -6.114 3.262 1.00 10.22 O ATOM 1074 CB TYR A 67 4.768 -7.529 6.141 1.00 22.32 C ATOM 1075 CG TYR A 67 4.377 -8.740 6.999 1.00 25.31 C ATOM 1076 CD1 TYR A 67 4.624 -8.768 8.376 1.00 71.10 C ATOM 1077 CD2 TYR A 67 3.770 -9.864 6.426 1.00 64.13 C ATOM 1078 CE1 TYR A 67 4.291 -9.870 9.141 1.00 40.42 C ATOM 1079 CE2 TYR A 67 3.434 -10.961 7.192 1.00 44.32 C ATOM 1080 CZ TYR A 67 3.694 -10.960 8.544 1.00 23.53 C ATOM 1081 OH TYR A 67 3.365 -12.064 9.302 1.00 52.22 O ATOM 0 H TYR A 67 6.949 -8.709 6.074 1.00 52.34 H new ATOM 0 HA TYR A 67 4.817 -8.490 4.205 1.00 61.21 H new ATOM 0 HB2 TYR A 67 5.418 -6.879 6.727 1.00 22.32 H new ATOM 0 HB3 TYR A 67 3.869 -6.957 5.911 1.00 22.32 H new ATOM 0 HD1 TYR A 67 5.083 -7.913 8.850 1.00 71.10 H new ATOM 0 HD2 TYR A 67 3.561 -9.872 5.366 1.00 64.13 H new ATOM 0 HE1 TYR A 67 4.497 -9.877 10.201 1.00 40.42 H new ATOM 0 HE2 TYR A 67 2.968 -11.819 6.732 1.00 44.32 H new ATOM 0 HH TYR A 67 2.390 -12.129 9.380 1.00 52.22 H new ATOM 1091 N ILE A 68 7.034 -6.071 4.280 1.00 24.52 N ATOM 1092 CA ILE A 68 7.554 -4.846 3.644 1.00 44.50 C ATOM 1093 C ILE A 68 7.763 -5.075 2.142 1.00 23.12 C ATOM 1094 O ILE A 68 7.180 -4.372 1.323 1.00 34.30 O ATOM 1095 CB ILE A 68 8.896 -4.360 4.352 1.00 20.25 C ATOM 1096 CG1 ILE A 68 8.568 -3.582 5.675 1.00 74.05 C ATOM 1097 CG2 ILE A 68 9.815 -3.528 3.415 1.00 43.25 C ATOM 1098 CD1 ILE A 68 9.776 -3.053 6.443 1.00 74.01 C ATOM 0 H ILE A 68 7.696 -6.494 4.931 1.00 24.52 H new ATOM 0 HA ILE A 68 6.817 -4.052 3.766 1.00 44.50 H new ATOM 0 HB ILE A 68 9.463 -5.256 4.604 1.00 20.25 H new ATOM 0 HG12 ILE A 68 7.919 -2.741 5.430 1.00 74.05 H new ATOM 0 HG13 ILE A 68 8.002 -4.241 6.333 1.00 74.05 H new ATOM 0 HG21 ILE A 68 10.711 -3.228 3.957 1.00 43.25 H new ATOM 0 HG22 ILE A 68 10.098 -4.132 2.553 1.00 43.25 H new ATOM 0 HG23 ILE A 68 9.281 -2.640 3.077 1.00 43.25 H new ATOM 0 HD11 ILE A 68 9.438 -2.532 7.339 1.00 74.01 H new ATOM 0 HD12 ILE A 68 10.419 -3.886 6.728 1.00 74.01 H new ATOM 0 HD13 ILE A 68 10.335 -2.363 5.811 1.00 74.01 H new ATOM 1110 N LYS A 69 8.582 -6.077 1.791 1.00 54.11 N ATOM 1111 CA LYS A 69 8.886 -6.394 0.388 1.00 42.44 C ATOM 1112 C LYS A 69 7.641 -6.905 -0.342 1.00 63.30 C ATOM 1113 O LYS A 69 7.466 -6.616 -1.532 1.00 11.12 O ATOM 1114 CB LYS A 69 10.044 -7.417 0.297 1.00 25.11 C ATOM 1115 CG LYS A 69 11.413 -6.865 0.753 1.00 35.40 C ATOM 1116 CD LYS A 69 11.912 -5.717 -0.151 1.00 31.33 C ATOM 1117 CE LYS A 69 13.282 -5.170 0.264 1.00 55.31 C ATOM 1118 NZ LYS A 69 13.751 -4.109 -0.670 1.00 44.21 N ATOM 0 H LYS A 69 9.048 -6.685 2.464 1.00 54.11 H new ATOM 0 HA LYS A 69 9.206 -5.476 -0.105 1.00 42.44 H new ATOM 0 HB2 LYS A 69 9.795 -8.287 0.905 1.00 25.11 H new ATOM 0 HB3 LYS A 69 10.129 -7.762 -0.733 1.00 25.11 H new ATOM 0 HG2 LYS A 69 11.335 -6.508 1.780 1.00 35.40 H new ATOM 0 HG3 LYS A 69 12.146 -7.671 0.751 1.00 35.40 H new ATOM 0 HD2 LYS A 69 11.967 -6.072 -1.180 1.00 31.33 H new ATOM 0 HD3 LYS A 69 11.184 -4.906 -0.132 1.00 31.33 H new ATOM 0 HE2 LYS A 69 13.223 -4.766 1.275 1.00 55.31 H new ATOM 0 HE3 LYS A 69 14.008 -5.983 0.287 1.00 55.31 H new ATOM 0 HZ1 LYS A 69 14.681 -3.760 -0.361 1.00 44.21 H new ATOM 0 HZ2 LYS A 69 13.830 -4.502 -1.630 1.00 44.21 H new ATOM 0 HZ3 LYS A 69 13.070 -3.323 -0.673 1.00 44.21 H new ATOM 1132 N GLN A 70 6.767 -7.637 0.392 1.00 74.14 N ATOM 1133 CA GLN A 70 5.482 -8.108 -0.145 1.00 63.10 C ATOM 1134 C GLN A 70 4.617 -6.915 -0.565 1.00 23.43 C ATOM 1135 O GLN A 70 4.209 -6.826 -1.718 1.00 72.14 O ATOM 1136 CB GLN A 70 4.721 -8.986 0.884 1.00 73.54 C ATOM 1137 CG GLN A 70 3.372 -9.551 0.371 1.00 73.21 C ATOM 1138 CD GLN A 70 2.634 -10.428 1.385 1.00 51.21 C ATOM 1139 OE1 GLN A 70 3.245 -11.105 2.210 1.00 22.11 O ATOM 1140 NE2 GLN A 70 1.311 -10.415 1.335 1.00 1.21 N ATOM 0 H GLN A 70 6.937 -7.911 1.360 1.00 74.14 H new ATOM 0 HA GLN A 70 5.691 -8.726 -1.018 1.00 63.10 H new ATOM 0 HB2 GLN A 70 5.361 -9.818 1.177 1.00 73.54 H new ATOM 0 HB3 GLN A 70 4.536 -8.395 1.781 1.00 73.54 H new ATOM 0 HG2 GLN A 70 2.726 -8.719 0.089 1.00 73.21 H new ATOM 0 HG3 GLN A 70 3.555 -10.134 -0.532 1.00 73.21 H new ATOM 0 HE21 GLN A 70 0.833 -9.843 0.639 1.00 1.21 H new ATOM 0 HE22 GLN A 70 0.770 -10.977 1.992 1.00 1.21 H new ATOM 1149 N THR A 71 4.389 -5.971 0.372 1.00 15.20 N ATOM 1150 CA THR A 71 3.490 -4.834 0.129 1.00 13.33 C ATOM 1151 C THR A 71 4.083 -3.854 -0.892 1.00 12.30 C ATOM 1152 O THR A 71 3.340 -3.305 -1.675 1.00 42.04 O ATOM 1153 CB THR A 71 3.071 -4.067 1.430 1.00 52.12 C ATOM 1154 OG1 THR A 71 1.993 -3.174 1.112 1.00 74.20 O ATOM 1155 CG2 THR A 71 4.208 -3.254 2.081 1.00 63.14 C ATOM 0 H THR A 71 4.815 -5.977 1.299 1.00 15.20 H new ATOM 0 HA THR A 71 2.581 -5.275 -0.281 1.00 13.33 H new ATOM 0 HB THR A 71 2.779 -4.827 2.155 1.00 52.12 H new ATOM 0 HG1 THR A 71 2.273 -2.250 1.280 1.00 74.20 H new ATOM 0 HG21 THR A 71 3.833 -2.755 2.975 1.00 63.14 H new ATOM 0 HG22 THR A 71 5.024 -3.923 2.354 1.00 63.14 H new ATOM 0 HG23 THR A 71 4.572 -2.508 1.375 1.00 63.14 H new ATOM 1163 N LEU A 72 5.416 -3.658 -0.878 1.00 42.11 N ATOM 1164 CA LEU A 72 6.108 -2.740 -1.815 1.00 3.11 C ATOM 1165 C LEU A 72 6.090 -3.285 -3.253 1.00 44.41 C ATOM 1166 O LEU A 72 6.004 -2.507 -4.203 1.00 1.24 O ATOM 1167 CB LEU A 72 7.575 -2.475 -1.363 1.00 51.22 C ATOM 1168 CG LEU A 72 7.753 -1.573 -0.099 1.00 25.35 C ATOM 1169 CD1 LEU A 72 9.245 -1.437 0.295 1.00 44.41 C ATOM 1170 CD2 LEU A 72 7.101 -0.188 -0.310 1.00 74.25 C ATOM 0 H LEU A 72 6.043 -4.126 -0.223 1.00 42.11 H new ATOM 0 HA LEU A 72 5.563 -1.796 -1.800 1.00 3.11 H new ATOM 0 HB2 LEU A 72 8.053 -3.435 -1.169 1.00 51.22 H new ATOM 0 HB3 LEU A 72 8.111 -2.013 -2.192 1.00 51.22 H new ATOM 0 HG LEU A 72 7.240 -2.061 0.730 1.00 25.35 H new ATOM 0 HD11 LEU A 72 9.332 -0.803 1.178 1.00 44.41 H new ATOM 0 HD12 LEU A 72 9.655 -2.423 0.514 1.00 44.41 H new ATOM 0 HD13 LEU A 72 9.800 -0.989 -0.529 1.00 44.41 H new ATOM 0 HD21 LEU A 72 7.239 0.419 0.584 1.00 74.25 H new ATOM 0 HD22 LEU A 72 7.568 0.308 -1.161 1.00 74.25 H new ATOM 0 HD23 LEU A 72 6.035 -0.313 -0.502 1.00 74.25 H new ATOM 1182 N ASP A 73 6.203 -4.617 -3.399 1.00 21.24 N ATOM 1183 CA ASP A 73 6.158 -5.292 -4.719 1.00 54.41 C ATOM 1184 C ASP A 73 4.724 -5.289 -5.280 1.00 73.13 C ATOM 1185 O ASP A 73 4.501 -4.942 -6.455 1.00 64.13 O ATOM 1186 CB ASP A 73 6.694 -6.741 -4.603 1.00 51.12 C ATOM 1187 CG ASP A 73 6.551 -7.543 -5.911 1.00 22.32 C ATOM 1188 OD1 ASP A 73 7.320 -7.285 -6.861 1.00 30.55 O ATOM 1189 OD2 ASP A 73 5.675 -8.435 -5.990 1.00 4.34 O ATOM 0 H ASP A 73 6.327 -5.257 -2.614 1.00 21.24 H new ATOM 0 HA ASP A 73 6.797 -4.742 -5.410 1.00 54.41 H new ATOM 0 HB2 ASP A 73 7.745 -6.712 -4.314 1.00 51.12 H new ATOM 0 HB3 ASP A 73 6.159 -7.258 -3.806 1.00 51.12 H new ATOM 1194 N ASN A 74 3.767 -5.672 -4.416 1.00 3.20 N ATOM 1195 CA ASN A 74 2.329 -5.667 -4.740 1.00 12.42 C ATOM 1196 C ASN A 74 1.872 -4.251 -5.112 1.00 2.34 C ATOM 1197 O ASN A 74 1.122 -4.063 -6.069 1.00 50.23 O ATOM 1198 CB ASN A 74 1.489 -6.188 -3.544 1.00 44.45 C ATOM 1199 CG ASN A 74 1.670 -7.676 -3.236 1.00 73.42 C ATOM 1200 OD1 ASN A 74 1.881 -8.493 -4.123 1.00 33.15 O ATOM 1201 ND2 ASN A 74 1.569 -8.042 -1.963 1.00 51.45 N ATOM 0 H ASN A 74 3.970 -5.995 -3.470 1.00 3.20 H new ATOM 0 HA ASN A 74 2.174 -6.331 -5.590 1.00 12.42 H new ATOM 0 HB2 ASN A 74 1.750 -5.613 -2.656 1.00 44.45 H new ATOM 0 HB3 ASN A 74 0.435 -5.999 -3.748 1.00 44.45 H new ATOM 0 HD21 ASN A 74 1.668 -9.024 -1.705 1.00 51.45 H new ATOM 0 HD22 ASN A 74 1.393 -7.341 -1.243 1.00 51.45 H new ATOM 1208 N GLU A 75 2.369 -3.267 -4.347 1.00 32.42 N ATOM 1209 CA GLU A 75 2.067 -1.848 -4.548 1.00 22.50 C ATOM 1210 C GLU A 75 2.754 -1.324 -5.814 1.00 32.22 C ATOM 1211 O GLU A 75 2.193 -0.493 -6.498 1.00 1.53 O ATOM 1212 CB GLU A 75 2.501 -1.020 -3.319 1.00 11.03 C ATOM 1213 CG GLU A 75 2.179 0.470 -3.408 1.00 31.52 C ATOM 1214 CD GLU A 75 2.674 1.259 -2.199 1.00 55.14 C ATOM 1215 OE1 GLU A 75 1.891 1.457 -1.250 1.00 34.23 O ATOM 1216 OE2 GLU A 75 3.850 1.691 -2.209 1.00 63.13 O ATOM 0 H GLU A 75 2.999 -3.440 -3.563 1.00 32.42 H new ATOM 0 HA GLU A 75 0.989 -1.743 -4.671 1.00 22.50 H new ATOM 0 HB2 GLU A 75 2.017 -1.430 -2.432 1.00 11.03 H new ATOM 0 HB3 GLU A 75 3.576 -1.138 -3.179 1.00 11.03 H new ATOM 0 HG2 GLU A 75 2.629 0.880 -4.312 1.00 31.52 H new ATOM 0 HG3 GLU A 75 1.101 0.598 -3.502 1.00 31.52 H new ATOM 1223 N GLN A 76 3.967 -1.824 -6.108 1.00 31.24 N ATOM 1224 CA GLN A 76 4.726 -1.455 -7.330 1.00 10.22 C ATOM 1225 C GLN A 76 3.907 -1.797 -8.582 1.00 1.35 C ATOM 1226 O GLN A 76 3.695 -0.949 -9.461 1.00 0.24 O ATOM 1227 CB GLN A 76 6.082 -2.204 -7.362 1.00 61.20 C ATOM 1228 CG GLN A 76 6.911 -1.998 -8.642 1.00 74.45 C ATOM 1229 CD GLN A 76 8.223 -2.777 -8.616 1.00 3.21 C ATOM 1230 OE1 GLN A 76 9.248 -2.280 -8.152 1.00 64.35 O ATOM 1231 NE2 GLN A 76 8.196 -4.010 -9.092 1.00 61.52 N ATOM 0 H GLN A 76 4.453 -2.494 -5.511 1.00 31.24 H new ATOM 0 HA GLN A 76 4.917 -0.382 -7.315 1.00 10.22 H new ATOM 0 HB2 GLN A 76 6.677 -1.883 -6.507 1.00 61.20 H new ATOM 0 HB3 GLN A 76 5.894 -3.270 -7.237 1.00 61.20 H new ATOM 0 HG2 GLN A 76 6.324 -2.309 -9.506 1.00 74.45 H new ATOM 0 HG3 GLN A 76 7.124 -0.936 -8.767 1.00 74.45 H new ATOM 0 HE21 GLN A 76 7.329 -4.392 -9.470 1.00 61.52 H new ATOM 0 HE22 GLN A 76 9.042 -4.579 -9.081 1.00 61.52 H new ATOM 1240 N LEU A 77 3.421 -3.047 -8.610 1.00 73.14 N ATOM 1241 CA LEU A 77 2.575 -3.556 -9.696 1.00 44.41 C ATOM 1242 C LEU A 77 1.207 -2.842 -9.700 1.00 24.32 C ATOM 1243 O LEU A 77 0.660 -2.577 -10.769 1.00 34.32 O ATOM 1244 CB LEU A 77 2.406 -5.084 -9.546 1.00 43.53 C ATOM 1245 CG LEU A 77 3.689 -5.949 -9.732 1.00 13.50 C ATOM 1246 CD1 LEU A 77 3.426 -7.426 -9.355 1.00 21.53 C ATOM 1247 CD2 LEU A 77 4.223 -5.822 -11.177 1.00 50.15 C ATOM 0 H LEU A 77 3.605 -3.733 -7.878 1.00 73.14 H new ATOM 0 HA LEU A 77 3.056 -3.350 -10.652 1.00 44.41 H new ATOM 0 HB2 LEU A 77 1.999 -5.286 -8.555 1.00 43.53 H new ATOM 0 HB3 LEU A 77 1.662 -5.417 -10.270 1.00 43.53 H new ATOM 0 HG LEU A 77 4.456 -5.573 -9.055 1.00 13.50 H new ATOM 0 HD11 LEU A 77 4.339 -8.005 -9.495 1.00 21.53 H new ATOM 0 HD12 LEU A 77 3.115 -7.485 -8.312 1.00 21.53 H new ATOM 0 HD13 LEU A 77 2.639 -7.830 -9.992 1.00 21.53 H new ATOM 0 HD21 LEU A 77 5.119 -6.433 -11.289 1.00 50.15 H new ATOM 0 HD22 LEU A 77 3.461 -6.164 -11.878 1.00 50.15 H new ATOM 0 HD23 LEU A 77 4.466 -4.780 -11.385 1.00 50.15 H new ATOM 1259 N LEU A 78 0.683 -2.529 -8.488 1.00 15.14 N ATOM 1260 CA LEU A 78 -0.570 -1.758 -8.313 1.00 64.24 C ATOM 1261 C LEU A 78 -0.479 -0.403 -9.026 1.00 2.31 C ATOM 1262 O LEU A 78 -1.183 -0.179 -9.995 1.00 33.01 O ATOM 1263 CB LEU A 78 -0.906 -1.543 -6.789 1.00 1.01 C ATOM 1264 CG LEU A 78 -1.877 -2.575 -6.144 1.00 43.51 C ATOM 1265 CD1 LEU A 78 -1.922 -2.433 -4.603 1.00 51.03 C ATOM 1266 CD2 LEU A 78 -3.283 -2.427 -6.764 1.00 60.52 C ATOM 0 H LEU A 78 1.118 -2.804 -7.607 1.00 15.14 H new ATOM 0 HA LEU A 78 -1.376 -2.340 -8.761 1.00 64.24 H new ATOM 0 HB2 LEU A 78 0.028 -1.555 -6.228 1.00 1.01 H new ATOM 0 HB3 LEU A 78 -1.336 -0.548 -6.671 1.00 1.01 H new ATOM 0 HG LEU A 78 -1.504 -3.577 -6.355 1.00 43.51 H new ATOM 0 HD11 LEU A 78 -2.610 -3.170 -4.190 1.00 51.03 H new ATOM 0 HD12 LEU A 78 -0.925 -2.597 -4.193 1.00 51.03 H new ATOM 0 HD13 LEU A 78 -2.262 -1.431 -4.340 1.00 51.03 H new ATOM 0 HD21 LEU A 78 -3.959 -3.151 -6.310 1.00 60.52 H new ATOM 0 HD22 LEU A 78 -3.656 -1.419 -6.583 1.00 60.52 H new ATOM 0 HD23 LEU A 78 -3.228 -2.606 -7.838 1.00 60.52 H new ATOM 1278 N LYS A 79 0.446 0.457 -8.570 1.00 24.42 N ATOM 1279 CA LYS A 79 0.547 1.850 -9.037 1.00 33.22 C ATOM 1280 C LYS A 79 1.116 1.950 -10.449 1.00 15.43 C ATOM 1281 O LYS A 79 0.880 2.950 -11.112 1.00 3.13 O ATOM 1282 CB LYS A 79 1.352 2.726 -8.041 1.00 53.03 C ATOM 1283 CG LYS A 79 2.786 2.260 -7.730 1.00 4.05 C ATOM 1284 CD LYS A 79 3.354 2.952 -6.466 1.00 14.41 C ATOM 1285 CE LYS A 79 4.539 2.201 -5.852 1.00 63.13 C ATOM 1286 NZ LYS A 79 4.971 2.828 -4.575 1.00 12.44 N ATOM 0 H LYS A 79 1.144 0.207 -7.869 1.00 24.42 H new ATOM 0 HA LYS A 79 -0.470 2.240 -9.078 1.00 33.22 H new ATOM 0 HB2 LYS A 79 1.400 3.740 -8.438 1.00 53.03 H new ATOM 0 HB3 LYS A 79 0.798 2.777 -7.104 1.00 53.03 H new ATOM 0 HG2 LYS A 79 2.794 1.179 -7.588 1.00 4.05 H new ATOM 0 HG3 LYS A 79 3.431 2.474 -8.582 1.00 4.05 H new ATOM 0 HD2 LYS A 79 3.666 3.964 -6.723 1.00 14.41 H new ATOM 0 HD3 LYS A 79 2.563 3.042 -5.721 1.00 14.41 H new ATOM 0 HE2 LYS A 79 4.261 1.162 -5.674 1.00 63.13 H new ATOM 0 HE3 LYS A 79 5.371 2.193 -6.556 1.00 63.13 H new ATOM 0 HZ1 LYS A 79 5.718 2.250 -4.140 1.00 12.44 H new ATOM 0 HZ2 LYS A 79 5.337 3.783 -4.764 1.00 12.44 H new ATOM 0 HZ3 LYS A 79 4.160 2.890 -3.927 1.00 12.44 H new ATOM 1300 N GLY A 80 1.851 0.915 -10.898 1.00 61.34 N ATOM 1301 CA GLY A 80 2.299 0.841 -12.291 1.00 23.53 C ATOM 1302 C GLY A 80 1.136 0.601 -13.243 1.00 44.44 C ATOM 1303 O GLY A 80 0.943 1.338 -14.222 1.00 45.43 O ATOM 0 H GLY A 80 2.142 0.128 -10.318 1.00 61.34 H new ATOM 0 HA2 GLY A 80 2.805 1.768 -12.561 1.00 23.53 H new ATOM 0 HA3 GLY A 80 3.028 0.038 -12.397 1.00 23.53 H new ATOM 1307 N LEU A 81 0.336 -0.423 -12.905 1.00 43.42 N ATOM 1308 CA LEU A 81 -0.860 -0.820 -13.665 1.00 3.40 C ATOM 1309 C LEU A 81 -1.941 0.272 -13.601 1.00 32.02 C ATOM 1310 O LEU A 81 -2.618 0.536 -14.589 1.00 60.41 O ATOM 1311 CB LEU A 81 -1.357 -2.192 -13.122 1.00 23.23 C ATOM 1312 CG LEU A 81 -2.681 -2.794 -13.727 1.00 33.12 C ATOM 1313 CD1 LEU A 81 -2.654 -4.337 -13.711 1.00 22.13 C ATOM 1314 CD2 LEU A 81 -3.932 -2.291 -12.973 1.00 32.00 C ATOM 0 H LEU A 81 0.504 -1.006 -12.085 1.00 43.42 H new ATOM 0 HA LEU A 81 -0.616 -0.935 -14.721 1.00 3.40 H new ATOM 0 HB2 LEU A 81 -0.560 -2.920 -13.275 1.00 23.23 H new ATOM 0 HB3 LEU A 81 -1.497 -2.094 -12.046 1.00 23.23 H new ATOM 0 HG LEU A 81 -2.737 -2.452 -14.760 1.00 33.12 H new ATOM 0 HD11 LEU A 81 -3.582 -4.722 -14.135 1.00 22.13 H new ATOM 0 HD12 LEU A 81 -1.810 -4.692 -14.302 1.00 22.13 H new ATOM 0 HD13 LEU A 81 -2.551 -4.688 -12.684 1.00 22.13 H new ATOM 0 HD21 LEU A 81 -4.826 -2.728 -13.419 1.00 32.00 H new ATOM 0 HD22 LEU A 81 -3.868 -2.585 -11.925 1.00 32.00 H new ATOM 0 HD23 LEU A 81 -3.986 -1.205 -13.042 1.00 32.00 H new ATOM 1326 N LEU A 82 -2.080 0.895 -12.422 1.00 24.23 N ATOM 1327 CA LEU A 82 -3.068 1.964 -12.160 1.00 14.30 C ATOM 1328 C LEU A 82 -2.649 3.271 -12.825 1.00 32.43 C ATOM 1329 O LEU A 82 -3.502 4.083 -13.180 1.00 15.11 O ATOM 1330 CB LEU A 82 -3.255 2.158 -10.632 1.00 11.11 C ATOM 1331 CG LEU A 82 -4.159 1.098 -9.927 1.00 12.33 C ATOM 1332 CD1 LEU A 82 -3.942 1.103 -8.404 1.00 65.23 C ATOM 1333 CD2 LEU A 82 -5.641 1.342 -10.276 1.00 31.32 C ATOM 0 H LEU A 82 -1.505 0.671 -11.610 1.00 24.23 H new ATOM 0 HA LEU A 82 -4.023 1.663 -12.591 1.00 14.30 H new ATOM 0 HB2 LEU A 82 -2.273 2.145 -10.159 1.00 11.11 H new ATOM 0 HB3 LEU A 82 -3.680 3.146 -10.458 1.00 11.11 H new ATOM 0 HG LEU A 82 -3.876 0.111 -10.293 1.00 12.33 H new ATOM 0 HD11 LEU A 82 -4.586 0.354 -7.942 1.00 65.23 H new ATOM 0 HD12 LEU A 82 -2.900 0.871 -8.184 1.00 65.23 H new ATOM 0 HD13 LEU A 82 -4.186 2.087 -8.005 1.00 65.23 H new ATOM 0 HD21 LEU A 82 -6.260 0.596 -9.778 1.00 31.32 H new ATOM 0 HD22 LEU A 82 -5.934 2.338 -9.943 1.00 31.32 H new ATOM 0 HD23 LEU A 82 -5.778 1.265 -11.355 1.00 31.32 H new ATOM 1345 N GLN A 83 -1.330 3.475 -12.974 1.00 32.10 N ATOM 1346 CA GLN A 83 -0.793 4.606 -13.742 1.00 34.13 C ATOM 1347 C GLN A 83 -1.179 4.418 -15.216 1.00 75.35 C ATOM 1348 O GLN A 83 -1.702 5.338 -15.830 1.00 73.42 O ATOM 1349 CB GLN A 83 0.754 4.711 -13.558 1.00 71.13 C ATOM 1350 CG GLN A 83 1.421 6.023 -14.055 1.00 1.41 C ATOM 1351 CD GLN A 83 1.551 6.162 -15.582 1.00 34.21 C ATOM 1352 OE1 GLN A 83 1.730 5.055 -16.290 1.00 23.13 O flip ATOM 1353 NE2 GLN A 83 1.510 7.261 -16.112 1.00 62.51 N flip ATOM 0 H GLN A 83 -0.616 2.869 -12.571 1.00 32.10 H new ATOM 0 HA GLN A 83 -1.217 5.542 -13.380 1.00 34.13 H new ATOM 0 HB2 GLN A 83 0.981 4.592 -12.498 1.00 71.13 H new ATOM 0 HB3 GLN A 83 1.218 3.873 -14.079 1.00 71.13 H new ATOM 0 HG2 GLN A 83 0.845 6.868 -13.678 1.00 1.41 H new ATOM 0 HG3 GLN A 83 2.416 6.094 -13.615 1.00 1.41 H new ATOM 0 HE21 GLN A 83 1.371 8.096 -15.544 1.00 62.51 H new ATOM 0 HE22 GLN A 83 1.615 7.344 -17.123 1.00 62.51 H new ATOM 1362 N GLN A 84 -0.938 3.196 -15.752 1.00 51.22 N ATOM 1363 CA GLN A 84 -1.278 2.847 -17.155 1.00 15.24 C ATOM 1364 C GLN A 84 -2.803 2.834 -17.374 1.00 54.23 C ATOM 1365 O GLN A 84 -3.283 3.106 -18.487 1.00 2.11 O ATOM 1366 CB GLN A 84 -0.683 1.467 -17.542 1.00 25.52 C ATOM 1367 CG GLN A 84 0.855 1.394 -17.497 1.00 73.24 C ATOM 1368 CD GLN A 84 1.425 0.024 -17.885 1.00 52.32 C ATOM 1369 OE1 GLN A 84 0.786 -1.012 -17.691 1.00 41.25 O ATOM 1370 NE2 GLN A 84 2.638 0.009 -18.410 1.00 32.51 N ATOM 0 H GLN A 84 -0.507 2.432 -15.231 1.00 51.22 H new ATOM 0 HA GLN A 84 -0.841 3.614 -17.795 1.00 15.24 H new ATOM 0 HB2 GLN A 84 -1.089 0.710 -16.871 1.00 25.52 H new ATOM 0 HB3 GLN A 84 -1.016 1.212 -18.548 1.00 25.52 H new ATOM 0 HG2 GLN A 84 1.264 2.150 -18.167 1.00 73.24 H new ATOM 0 HG3 GLN A 84 1.191 1.645 -16.491 1.00 73.24 H new ATOM 0 HE21 GLN A 84 3.141 0.884 -18.558 1.00 32.51 H new ATOM 0 HE22 GLN A 84 3.071 -0.878 -18.667 1.00 32.51 H new ATOM 1379 N ARG A 85 -3.554 2.513 -16.305 1.00 73.32 N ATOM 1380 CA ARG A 85 -5.020 2.513 -16.334 1.00 51.04 C ATOM 1381 C ARG A 85 -5.523 3.954 -16.493 1.00 22.53 C ATOM 1382 O ARG A 85 -6.219 4.251 -17.446 1.00 32.00 O ATOM 1383 CB ARG A 85 -5.615 1.852 -15.057 1.00 41.35 C ATOM 1384 CG ARG A 85 -7.162 1.837 -15.000 1.00 20.21 C ATOM 1385 CD ARG A 85 -7.802 1.158 -16.228 1.00 72.30 C ATOM 1386 NE ARG A 85 -9.275 1.140 -16.157 1.00 12.22 N ATOM 1387 CZ ARG A 85 -10.068 0.340 -16.891 1.00 41.20 C ATOM 1388 NH1 ARG A 85 -9.551 -0.519 -17.766 1.00 24.45 N ATOM 1389 NH2 ARG A 85 -11.383 0.412 -16.749 1.00 75.12 N ATOM 0 H ARG A 85 -3.160 2.248 -15.402 1.00 73.32 H new ATOM 0 HA ARG A 85 -5.354 1.919 -17.185 1.00 51.04 H new ATOM 0 HB2 ARG A 85 -5.252 0.826 -14.992 1.00 41.35 H new ATOM 0 HB3 ARG A 85 -5.237 2.380 -14.181 1.00 41.35 H new ATOM 0 HG2 ARG A 85 -7.482 1.318 -14.096 1.00 20.21 H new ATOM 0 HG3 ARG A 85 -7.528 2.861 -14.926 1.00 20.21 H new ATOM 0 HD2 ARG A 85 -7.491 1.681 -17.132 1.00 72.30 H new ATOM 0 HD3 ARG A 85 -7.432 0.136 -16.308 1.00 72.30 H new ATOM 0 HE ARG A 85 -9.725 1.781 -15.504 1.00 12.22 H new ATOM 0 HH11 ARG A 85 -8.540 -0.577 -17.887 1.00 24.45 H new ATOM 0 HH12 ARG A 85 -10.166 -1.119 -18.316 1.00 24.45 H new ATOM 0 HH21 ARG A 85 -11.789 1.072 -16.086 1.00 75.12 H new ATOM 0 HH22 ARG A 85 -11.990 -0.192 -17.303 1.00 75.12 H new ATOM 1403 N LEU A 86 -5.100 4.843 -15.573 1.00 63.44 N ATOM 1404 CA LEU A 86 -5.488 6.272 -15.590 1.00 53.14 C ATOM 1405 C LEU A 86 -4.934 6.992 -16.835 1.00 55.21 C ATOM 1406 O LEU A 86 -5.503 7.981 -17.271 1.00 52.33 O ATOM 1407 CB LEU A 86 -5.006 6.972 -14.294 1.00 53.11 C ATOM 1408 CG LEU A 86 -5.655 6.469 -12.962 1.00 20.45 C ATOM 1409 CD1 LEU A 86 -4.980 7.119 -11.733 1.00 3.32 C ATOM 1410 CD2 LEU A 86 -7.186 6.701 -12.959 1.00 41.35 C ATOM 0 H LEU A 86 -4.483 4.595 -14.800 1.00 63.44 H new ATOM 0 HA LEU A 86 -6.576 6.326 -15.637 1.00 53.14 H new ATOM 0 HB2 LEU A 86 -3.926 6.849 -14.218 1.00 53.11 H new ATOM 0 HB3 LEU A 86 -5.199 8.041 -14.388 1.00 53.11 H new ATOM 0 HG LEU A 86 -5.490 5.394 -12.897 1.00 20.45 H new ATOM 0 HD11 LEU A 86 -5.451 6.751 -10.822 1.00 3.32 H new ATOM 0 HD12 LEU A 86 -3.920 6.863 -11.722 1.00 3.32 H new ATOM 0 HD13 LEU A 86 -5.091 8.202 -11.787 1.00 3.32 H new ATOM 0 HD21 LEU A 86 -7.607 6.341 -12.020 1.00 41.35 H new ATOM 0 HD22 LEU A 86 -7.393 7.766 -13.064 1.00 41.35 H new ATOM 0 HD23 LEU A 86 -7.638 6.160 -13.790 1.00 41.35 H new ATOM 1422 N ASP A 87 -3.813 6.477 -17.370 1.00 32.44 N ATOM 1423 CA ASP A 87 -3.198 6.936 -18.637 1.00 4.41 C ATOM 1424 C ASP A 87 -4.178 6.700 -19.803 1.00 53.11 C ATOM 1425 O ASP A 87 -4.508 7.629 -20.562 1.00 64.34 O ATOM 1426 CB ASP A 87 -1.861 6.167 -18.850 1.00 52.33 C ATOM 1427 CG ASP A 87 -1.236 6.308 -20.247 1.00 54.44 C ATOM 1428 OD1 ASP A 87 -1.477 5.436 -21.113 1.00 60.20 O ATOM 1429 OD2 ASP A 87 -0.479 7.270 -20.481 1.00 54.42 O ATOM 0 H ASP A 87 -3.296 5.716 -16.929 1.00 32.44 H new ATOM 0 HA ASP A 87 -2.983 8.004 -18.595 1.00 4.41 H new ATOM 0 HB2 ASP A 87 -1.139 6.515 -18.111 1.00 52.33 H new ATOM 0 HB3 ASP A 87 -2.034 5.109 -18.653 1.00 52.33 H new ATOM 1434 N GLU A 88 -4.652 5.439 -19.895 1.00 3.42 N ATOM 1435 CA GLU A 88 -5.655 5.013 -20.883 1.00 23.24 C ATOM 1436 C GLU A 88 -6.947 5.831 -20.722 1.00 24.21 C ATOM 1437 O GLU A 88 -7.397 6.457 -21.672 1.00 3.23 O ATOM 1438 CB GLU A 88 -5.948 3.502 -20.712 1.00 2.54 C ATOM 1439 CG GLU A 88 -7.084 2.955 -21.605 1.00 42.14 C ATOM 1440 CD GLU A 88 -7.453 1.498 -21.290 1.00 40.54 C ATOM 1441 OE1 GLU A 88 -7.840 1.218 -20.136 1.00 74.33 O ATOM 1442 OE2 GLU A 88 -7.371 0.631 -22.189 1.00 33.23 O ATOM 0 H GLU A 88 -4.344 4.686 -19.279 1.00 3.42 H new ATOM 0 HA GLU A 88 -5.262 5.187 -21.885 1.00 23.24 H new ATOM 0 HB2 GLU A 88 -5.037 2.944 -20.926 1.00 2.54 H new ATOM 0 HB3 GLU A 88 -6.202 3.312 -19.669 1.00 2.54 H new ATOM 0 HG2 GLU A 88 -7.968 3.581 -21.482 1.00 42.14 H new ATOM 0 HG3 GLU A 88 -6.783 3.029 -22.650 1.00 42.14 H new ATOM 1449 N LEU A 89 -7.488 5.832 -19.488 1.00 50.34 N ATOM 1450 CA LEU A 89 -8.761 6.491 -19.131 1.00 61.23 C ATOM 1451 C LEU A 89 -8.749 7.985 -19.477 1.00 13.31 C ATOM 1452 O LEU A 89 -9.710 8.493 -20.044 1.00 32.11 O ATOM 1453 CB LEU A 89 -9.060 6.306 -17.617 1.00 2.13 C ATOM 1454 CG LEU A 89 -9.253 4.839 -17.118 1.00 42.01 C ATOM 1455 CD1 LEU A 89 -9.487 4.797 -15.592 1.00 3.00 C ATOM 1456 CD2 LEU A 89 -10.380 4.123 -17.885 1.00 44.12 C ATOM 0 H LEU A 89 -7.045 5.366 -18.696 1.00 50.34 H new ATOM 0 HA LEU A 89 -9.547 6.016 -19.719 1.00 61.23 H new ATOM 0 HB2 LEU A 89 -8.243 6.754 -17.051 1.00 2.13 H new ATOM 0 HB3 LEU A 89 -9.961 6.869 -17.376 1.00 2.13 H new ATOM 0 HG LEU A 89 -8.331 4.296 -17.325 1.00 42.01 H new ATOM 0 HD11 LEU A 89 -9.618 3.763 -15.272 1.00 3.00 H new ATOM 0 HD12 LEU A 89 -8.627 5.229 -15.080 1.00 3.00 H new ATOM 0 HD13 LEU A 89 -10.381 5.369 -15.345 1.00 3.00 H new ATOM 0 HD21 LEU A 89 -10.485 3.105 -17.510 1.00 44.12 H new ATOM 0 HD22 LEU A 89 -11.317 4.661 -17.741 1.00 44.12 H new ATOM 0 HD23 LEU A 89 -10.137 4.096 -18.947 1.00 44.12 H new ATOM 1468 N SER A 90 -7.642 8.671 -19.154 1.00 15.20 N ATOM 1469 CA SER A 90 -7.496 10.112 -19.427 1.00 33.24 C ATOM 1470 C SER A 90 -7.363 10.357 -20.933 1.00 43.53 C ATOM 1471 O SER A 90 -7.799 11.393 -21.431 1.00 42.11 O ATOM 1472 CB SER A 90 -6.286 10.692 -18.684 1.00 31.04 C ATOM 1473 OG SER A 90 -5.078 10.092 -19.105 1.00 30.31 O ATOM 0 H SER A 90 -6.831 8.250 -18.701 1.00 15.20 H new ATOM 0 HA SER A 90 -8.391 10.619 -19.066 1.00 33.24 H new ATOM 0 HB2 SER A 90 -6.236 11.768 -18.853 1.00 31.04 H new ATOM 0 HB3 SER A 90 -6.412 10.543 -17.612 1.00 31.04 H new ATOM 0 HG SER A 90 -4.941 9.254 -18.615 1.00 30.31 H new ATOM 1819 N MET A1001 -13.510 8.413 -9.032 1.00 74.51 N ATOM 1820 CA MET A1001 -12.488 7.419 -9.421 1.00 21.44 C ATOM 1821 C MET A1001 -11.109 8.074 -9.659 1.00 33.51 C ATOM 1822 O MET A1001 -10.104 7.628 -9.099 1.00 43.24 O ATOM 1823 CB MET A1001 -12.924 6.656 -10.698 1.00 73.15 C ATOM 1824 CG MET A1001 -11.919 5.593 -11.182 1.00 31.24 C ATOM 1825 SD MET A1001 -12.376 4.853 -12.761 1.00 60.24 S ATOM 1826 CE MET A1001 -12.440 6.297 -13.827 1.00 0.13 C ATOM 0 HA MET A1001 -12.395 6.718 -8.592 1.00 21.44 H new ATOM 0 HB2 MET A1001 -13.882 6.172 -10.507 1.00 73.15 H new ATOM 0 HB3 MET A1001 -13.085 7.377 -11.499 1.00 73.15 H new ATOM 0 HG2 MET A1001 -10.933 6.049 -11.273 1.00 31.24 H new ATOM 0 HG3 MET A1001 -11.839 4.808 -10.430 1.00 31.24 H new ATOM 0 HE1 MET A1001 -12.427 5.980 -14.870 1.00 0.13 H new ATOM 0 HE2 MET A1001 -13.355 6.856 -13.628 1.00 0.13 H new ATOM 0 HE3 MET A1001 -11.577 6.933 -13.631 1.00 0.13 H new ATOM 1836 N THR A1002 -11.085 9.140 -10.481 1.00 23.21 N ATOM 1837 CA THR A1002 -9.839 9.825 -10.861 1.00 45.23 C ATOM 1838 C THR A1002 -9.199 10.508 -9.646 1.00 70.44 C ATOM 1839 O THR A1002 -8.026 10.277 -9.370 1.00 41.43 O ATOM 1840 CB THR A1002 -10.074 10.863 -12.008 1.00 10.41 C ATOM 1841 OG1 THR A1002 -11.116 11.785 -11.640 1.00 75.52 O ATOM 1842 CG2 THR A1002 -10.425 10.165 -13.341 1.00 24.43 C ATOM 0 H THR A1002 -11.923 9.547 -10.897 1.00 23.21 H new ATOM 0 HA THR A1002 -9.154 9.065 -11.236 1.00 45.23 H new ATOM 0 HB THR A1002 -9.145 11.414 -12.154 1.00 10.41 H new ATOM 0 HG1 THR A1002 -11.253 12.430 -12.365 1.00 75.52 H new ATOM 0 HG21 THR A1002 -10.582 10.916 -14.115 1.00 24.43 H new ATOM 0 HG22 THR A1002 -9.607 9.507 -13.634 1.00 24.43 H new ATOM 0 HG23 THR A1002 -11.335 9.578 -13.216 1.00 24.43 H new ATOM 1850 N THR A1003 -9.994 11.316 -8.918 1.00 0.21 N ATOM 1851 CA THR A1003 -9.549 12.015 -7.696 1.00 23.43 C ATOM 1852 C THR A1003 -8.928 11.031 -6.674 1.00 14.45 C ATOM 1853 O THR A1003 -7.780 11.229 -6.218 1.00 70.23 O ATOM 1854 CB THR A1003 -10.746 12.792 -7.058 1.00 73.33 C ATOM 1855 OG1 THR A1003 -11.218 13.779 -7.988 1.00 22.33 O ATOM 1856 CG2 THR A1003 -10.375 13.489 -5.737 1.00 13.41 C ATOM 0 H THR A1003 -10.967 11.503 -9.162 1.00 0.21 H new ATOM 0 HA THR A1003 -8.773 12.728 -7.976 1.00 23.43 H new ATOM 0 HB THR A1003 -11.520 12.058 -6.833 1.00 73.33 H new ATOM 0 HG1 THR A1003 -11.970 14.268 -7.593 1.00 22.33 H new ATOM 0 HG21 THR A1003 -11.247 14.011 -5.344 1.00 13.41 H new ATOM 0 HG22 THR A1003 -10.041 12.745 -5.014 1.00 13.41 H new ATOM 0 HG23 THR A1003 -9.574 14.206 -5.916 1.00 13.41 H new ATOM 1864 N ARG A1004 -9.679 9.946 -6.387 1.00 14.44 N ATOM 1865 CA ARG A1004 -9.257 8.898 -5.444 1.00 64.25 C ATOM 1866 C ARG A1004 -7.931 8.257 -5.880 1.00 34.44 C ATOM 1867 O ARG A1004 -6.954 8.329 -5.152 1.00 64.45 O ATOM 1868 CB ARG A1004 -10.343 7.798 -5.288 1.00 55.03 C ATOM 1869 CG ARG A1004 -11.546 8.187 -4.408 1.00 60.41 C ATOM 1870 CD ARG A1004 -12.471 6.986 -4.124 1.00 4.14 C ATOM 1871 NE ARG A1004 -13.591 7.340 -3.240 1.00 54.33 N ATOM 1872 CZ ARG A1004 -13.490 7.616 -1.925 1.00 62.34 C ATOM 1873 NH1 ARG A1004 -12.315 7.584 -1.297 1.00 2.40 N ATOM 1874 NH2 ARG A1004 -14.583 7.919 -1.246 1.00 43.33 N ATOM 0 H ARG A1004 -10.594 9.776 -6.804 1.00 14.44 H new ATOM 0 HA ARG A1004 -9.113 9.382 -4.478 1.00 64.25 H new ATOM 0 HB2 ARG A1004 -10.709 7.528 -6.278 1.00 55.03 H new ATOM 0 HB3 ARG A1004 -9.878 6.907 -4.867 1.00 55.03 H new ATOM 0 HG2 ARG A1004 -11.186 8.598 -3.465 1.00 60.41 H new ATOM 0 HG3 ARG A1004 -12.116 8.974 -4.902 1.00 60.41 H new ATOM 0 HD2 ARG A1004 -12.862 6.601 -5.066 1.00 4.14 H new ATOM 0 HD3 ARG A1004 -11.891 6.184 -3.668 1.00 4.14 H new ATOM 0 HE ARG A1004 -14.521 7.380 -3.656 1.00 54.33 H new ATOM 0 HH11 ARG A1004 -11.467 7.347 -1.813 1.00 2.40 H new ATOM 0 HH12 ARG A1004 -12.263 7.797 -0.301 1.00 2.40 H new ATOM 0 HH21 ARG A1004 -15.487 7.941 -1.718 1.00 43.33 H new ATOM 0 HH22 ARG A1004 -14.522 8.130 -0.250 1.00 43.33 H new ATOM 1888 N LEU A1005 -7.909 7.674 -7.090 1.00 42.11 N ATOM 1889 CA LEU A1005 -6.746 6.919 -7.583 1.00 5.34 C ATOM 1890 C LEU A1005 -5.489 7.803 -7.738 1.00 62.14 C ATOM 1891 O LEU A1005 -4.388 7.325 -7.497 1.00 24.23 O ATOM 1892 CB LEU A1005 -7.074 6.170 -8.903 1.00 21.21 C ATOM 1893 CG LEU A1005 -8.030 4.938 -8.781 1.00 54.22 C ATOM 1894 CD1 LEU A1005 -8.261 4.283 -10.161 1.00 52.22 C ATOM 1895 CD2 LEU A1005 -7.496 3.907 -7.750 1.00 62.45 C ATOM 0 H LEU A1005 -8.688 7.712 -7.747 1.00 42.11 H new ATOM 0 HA LEU A1005 -6.514 6.174 -6.822 1.00 5.34 H new ATOM 0 HB2 LEU A1005 -7.520 6.881 -9.598 1.00 21.21 H new ATOM 0 HB3 LEU A1005 -6.137 5.834 -9.347 1.00 21.21 H new ATOM 0 HG LEU A1005 -8.992 5.297 -8.414 1.00 54.22 H new ATOM 0 HD11 LEU A1005 -8.929 3.429 -10.051 1.00 52.22 H new ATOM 0 HD12 LEU A1005 -8.710 5.010 -10.838 1.00 52.22 H new ATOM 0 HD13 LEU A1005 -7.307 3.948 -10.569 1.00 52.22 H new ATOM 0 HD21 LEU A1005 -8.184 3.063 -7.689 1.00 62.45 H new ATOM 0 HD22 LEU A1005 -6.514 3.553 -8.065 1.00 62.45 H new ATOM 0 HD23 LEU A1005 -7.415 4.380 -6.771 1.00 62.45 H new ATOM 1907 N THR A1006 -5.653 9.091 -8.099 1.00 43.52 N ATOM 1908 CA THR A1006 -4.504 10.021 -8.223 1.00 74.23 C ATOM 1909 C THR A1006 -3.882 10.324 -6.837 1.00 32.52 C ATOM 1910 O THR A1006 -2.662 10.167 -6.664 1.00 3.22 O ATOM 1911 CB THR A1006 -4.890 11.352 -8.946 1.00 10.50 C ATOM 1912 OG1 THR A1006 -6.021 11.942 -8.304 1.00 25.42 O ATOM 1913 CG2 THR A1006 -5.199 11.137 -10.443 1.00 31.24 C ATOM 0 H THR A1006 -6.558 9.511 -8.309 1.00 43.52 H new ATOM 0 HA THR A1006 -3.761 9.517 -8.841 1.00 74.23 H new ATOM 0 HB THR A1006 -4.030 12.019 -8.879 1.00 10.50 H new ATOM 0 HG1 THR A1006 -6.837 11.478 -8.587 1.00 25.42 H new ATOM 0 HG21 THR A1006 -5.462 12.091 -10.901 1.00 31.24 H new ATOM 0 HG22 THR A1006 -4.321 10.725 -10.940 1.00 31.24 H new ATOM 0 HG23 THR A1006 -6.033 10.443 -10.546 1.00 31.24 H new ATOM 1921 N ARG A1007 -4.725 10.706 -5.840 1.00 63.05 N ATOM 1922 CA ARG A1007 -4.230 10.974 -4.455 1.00 24.32 C ATOM 1923 C ARG A1007 -3.715 9.674 -3.796 1.00 53.20 C ATOM 1924 O ARG A1007 -2.869 9.708 -2.894 1.00 10.50 O ATOM 1925 CB ARG A1007 -5.321 11.633 -3.564 1.00 64.45 C ATOM 1926 CG ARG A1007 -6.553 10.745 -3.272 1.00 23.45 C ATOM 1927 CD ARG A1007 -7.517 11.356 -2.247 1.00 5.22 C ATOM 1928 NE ARG A1007 -6.913 11.432 -0.898 1.00 34.22 N ATOM 1929 CZ ARG A1007 -7.082 12.435 -0.020 1.00 50.33 C ATOM 1930 NH1 ARG A1007 -7.839 13.486 -0.314 1.00 54.15 N ATOM 1931 NH2 ARG A1007 -6.486 12.373 1.160 1.00 1.03 N ATOM 0 H ARG A1007 -5.730 10.834 -5.961 1.00 63.05 H new ATOM 0 HA ARG A1007 -3.403 11.679 -4.541 1.00 24.32 H new ATOM 0 HB2 ARG A1007 -4.868 11.922 -2.616 1.00 64.45 H new ATOM 0 HB3 ARG A1007 -5.659 12.549 -4.048 1.00 64.45 H new ATOM 0 HG2 ARG A1007 -7.091 10.565 -4.203 1.00 23.45 H new ATOM 0 HG3 ARG A1007 -6.214 9.775 -2.908 1.00 23.45 H new ATOM 0 HD2 ARG A1007 -7.807 12.355 -2.572 1.00 5.22 H new ATOM 0 HD3 ARG A1007 -8.428 10.758 -2.204 1.00 5.22 H new ATOM 0 HE ARG A1007 -6.317 10.656 -0.610 1.00 34.22 H new ATOM 0 HH11 ARG A1007 -8.304 13.542 -1.220 1.00 54.15 H new ATOM 0 HH12 ARG A1007 -7.955 14.237 0.366 1.00 54.15 H new ATOM 0 HH21 ARG A1007 -5.905 11.569 1.396 1.00 1.03 H new ATOM 0 HH22 ARG A1007 -6.608 13.129 1.833 1.00 1.03 H new ATOM 1945 N TRP A1008 -4.252 8.546 -4.269 1.00 34.04 N ATOM 1946 CA TRP A1008 -3.846 7.195 -3.876 1.00 14.22 C ATOM 1947 C TRP A1008 -2.420 6.905 -4.378 1.00 42.15 C ATOM 1948 O TRP A1008 -1.588 6.488 -3.591 1.00 3.24 O ATOM 1949 CB TRP A1008 -4.923 6.187 -4.397 1.00 23.24 C ATOM 1950 CG TRP A1008 -4.486 4.775 -4.720 1.00 21.31 C ATOM 1951 CD1 TRP A1008 -3.955 4.344 -5.897 1.00 32.13 C ATOM 1952 CD2 TRP A1008 -4.614 3.608 -3.901 1.00 70.25 C ATOM 1953 NE1 TRP A1008 -3.692 3.012 -5.837 1.00 13.32 N ATOM 1954 CE2 TRP A1008 -4.110 2.529 -4.635 1.00 60.21 C ATOM 1955 CE3 TRP A1008 -5.077 3.380 -2.611 1.00 72.02 C ATOM 1956 CZ2 TRP A1008 -4.048 1.237 -4.129 1.00 65.21 C ATOM 1957 CZ3 TRP A1008 -5.054 2.094 -2.116 1.00 22.14 C ATOM 1958 CH2 TRP A1008 -4.540 1.038 -2.876 1.00 2.24 C ATOM 0 H TRP A1008 -5.005 8.549 -4.957 1.00 34.04 H new ATOM 0 HA TRP A1008 -3.800 7.090 -2.792 1.00 14.22 H new ATOM 0 HB2 TRP A1008 -5.713 6.128 -3.648 1.00 23.24 H new ATOM 0 HB3 TRP A1008 -5.368 6.611 -5.297 1.00 23.24 H new ATOM 0 HD1 TRP A1008 -3.769 4.971 -6.756 1.00 32.13 H new ATOM 0 HE1 TRP A1008 -3.252 2.462 -6.575 1.00 13.32 H new ATOM 0 HE3 TRP A1008 -5.448 4.195 -2.008 1.00 72.02 H new ATOM 0 HZ2 TRP A1008 -3.628 0.426 -4.705 1.00 65.21 H new ATOM 0 HZ3 TRP A1008 -5.439 1.898 -1.126 1.00 22.14 H new ATOM 0 HH2 TRP A1008 -4.534 0.042 -2.459 1.00 2.24 H new ATOM 1969 N LEU A1009 -2.126 7.227 -5.669 1.00 5.14 N ATOM 1970 CA LEU A1009 -0.799 6.940 -6.290 1.00 42.45 C ATOM 1971 C LEU A1009 0.262 7.822 -5.626 1.00 61.30 C ATOM 1972 O LEU A1009 1.411 7.406 -5.426 1.00 10.33 O ATOM 1973 CB LEU A1009 -0.805 7.194 -7.833 1.00 4.14 C ATOM 1974 CG LEU A1009 -1.755 6.307 -8.703 1.00 53.42 C ATOM 1975 CD1 LEU A1009 -1.628 6.632 -10.210 1.00 13.11 C ATOM 1976 CD2 LEU A1009 -1.531 4.813 -8.441 1.00 31.14 C ATOM 0 H LEU A1009 -2.787 7.683 -6.298 1.00 5.14 H new ATOM 0 HA LEU A1009 -0.573 5.885 -6.135 1.00 42.45 H new ATOM 0 HB2 LEU A1009 -1.070 8.238 -8.002 1.00 4.14 H new ATOM 0 HB3 LEU A1009 0.212 7.060 -8.201 1.00 4.14 H new ATOM 0 HG LEU A1009 -2.774 6.548 -8.402 1.00 53.42 H new ATOM 0 HD11 LEU A1009 -2.305 5.994 -10.778 1.00 13.11 H new ATOM 0 HD12 LEU A1009 -1.887 7.677 -10.380 1.00 13.11 H new ATOM 0 HD13 LEU A1009 -0.603 6.455 -10.535 1.00 13.11 H new ATOM 0 HD21 LEU A1009 -2.209 4.229 -9.063 1.00 31.14 H new ATOM 0 HD22 LEU A1009 -0.501 4.552 -8.682 1.00 31.14 H new ATOM 0 HD23 LEU A1009 -1.724 4.595 -7.391 1.00 31.14 H new ATOM 1988 N THR A1010 -0.171 9.046 -5.286 1.00 51.23 N ATOM 1989 CA THR A1010 0.605 10.007 -4.506 1.00 40.22 C ATOM 1990 C THR A1010 0.972 9.424 -3.121 1.00 60.23 C ATOM 1991 O THR A1010 2.134 9.476 -2.704 1.00 4.21 O ATOM 1992 CB THR A1010 -0.221 11.322 -4.341 1.00 15.24 C ATOM 1993 OG1 THR A1010 -0.515 11.874 -5.631 1.00 31.55 O ATOM 1994 CG2 THR A1010 0.493 12.368 -3.483 1.00 12.23 C ATOM 0 H THR A1010 -1.090 9.397 -5.554 1.00 51.23 H new ATOM 0 HA THR A1010 1.534 10.224 -5.033 1.00 40.22 H new ATOM 0 HB THR A1010 -1.143 11.058 -3.823 1.00 15.24 H new ATOM 0 HG1 THR A1010 -1.231 11.355 -6.053 1.00 31.55 H new ATOM 0 HG21 THR A1010 -0.129 13.260 -3.404 1.00 12.23 H new ATOM 0 HG22 THR A1010 0.672 11.961 -2.488 1.00 12.23 H new ATOM 0 HG23 THR A1010 1.445 12.629 -3.945 1.00 12.23 H new ATOM 2002 N ALA A1011 -0.039 8.853 -2.439 1.00 33.52 N ATOM 2003 CA ALA A1011 0.116 8.261 -1.094 1.00 20.13 C ATOM 2004 C ALA A1011 0.960 6.970 -1.125 1.00 63.12 C ATOM 2005 O ALA A1011 1.629 6.644 -0.137 1.00 53.03 O ATOM 2006 CB ALA A1011 -1.264 7.990 -0.475 1.00 32.23 C ATOM 0 H ALA A1011 -0.989 8.788 -2.805 1.00 33.52 H new ATOM 0 HA ALA A1011 0.651 8.980 -0.475 1.00 20.13 H new ATOM 0 HB1 ALA A1011 -1.139 7.554 0.516 1.00 32.23 H new ATOM 0 HB2 ALA A1011 -1.816 8.926 -0.392 1.00 32.23 H new ATOM 0 HB3 ALA A1011 -1.818 7.297 -1.109 1.00 32.23 H new ATOM 2012 N LEU A1012 0.931 6.254 -2.270 1.00 54.52 N ATOM 2013 CA LEU A1012 1.703 5.008 -2.462 1.00 1.25 C ATOM 2014 C LEU A1012 3.193 5.333 -2.649 1.00 45.23 C ATOM 2015 O LEU A1012 4.063 4.655 -2.106 1.00 55.25 O ATOM 2016 CB LEU A1012 1.202 4.205 -3.698 1.00 54.11 C ATOM 2017 CG LEU A1012 -0.288 3.730 -3.718 1.00 11.04 C ATOM 2018 CD1 LEU A1012 -0.522 2.702 -4.847 1.00 45.01 C ATOM 2019 CD2 LEU A1012 -0.753 3.199 -2.350 1.00 34.23 C ATOM 0 H LEU A1012 0.375 6.522 -3.082 1.00 54.52 H new ATOM 0 HA LEU A1012 1.560 4.397 -1.571 1.00 1.25 H new ATOM 0 HB2 LEU A1012 1.367 4.819 -4.583 1.00 54.11 H new ATOM 0 HB3 LEU A1012 1.834 3.323 -3.800 1.00 54.11 H new ATOM 0 HG LEU A1012 -0.905 4.604 -3.929 1.00 11.04 H new ATOM 0 HD11 LEU A1012 -1.565 2.386 -4.841 1.00 45.01 H new ATOM 0 HD12 LEU A1012 -0.286 3.158 -5.809 1.00 45.01 H new ATOM 0 HD13 LEU A1012 0.120 1.836 -4.689 1.00 45.01 H new ATOM 0 HD21 LEU A1012 -1.794 2.882 -2.417 1.00 34.23 H new ATOM 0 HD22 LEU A1012 -0.133 2.351 -2.059 1.00 34.23 H new ATOM 0 HD23 LEU A1012 -0.662 3.988 -1.603 1.00 34.23 H new ATOM 2031 N ASP A1013 3.461 6.375 -3.452 1.00 44.33 N ATOM 2032 CA ASP A1013 4.830 6.849 -3.729 1.00 14.05 C ATOM 2033 C ASP A1013 5.453 7.445 -2.451 1.00 62.42 C ATOM 2034 O ASP A1013 6.633 7.227 -2.163 1.00 52.13 O ATOM 2035 CB ASP A1013 4.805 7.891 -4.880 1.00 2.21 C ATOM 2036 CG ASP A1013 6.201 8.424 -5.265 1.00 75.21 C ATOM 2037 OD1 ASP A1013 6.980 7.677 -5.907 1.00 32.31 O ATOM 2038 OD2 ASP A1013 6.525 9.590 -4.943 1.00 53.03 O ATOM 0 H ASP A1013 2.737 6.913 -3.928 1.00 44.33 H new ATOM 0 HA ASP A1013 5.447 6.008 -4.044 1.00 14.05 H new ATOM 0 HB2 ASP A1013 4.344 7.438 -5.758 1.00 2.21 H new ATOM 0 HB3 ASP A1013 4.174 8.730 -4.585 1.00 2.21 H new ATOM 2043 N ASN A1014 4.616 8.178 -1.686 1.00 15.32 N ATOM 2044 CA ASN A1014 5.000 8.794 -0.399 1.00 34.51 C ATOM 2045 C ASN A1014 5.408 7.705 0.612 1.00 35.00 C ATOM 2046 O ASN A1014 6.494 7.781 1.226 1.00 0.54 O ATOM 2047 CB ASN A1014 3.822 9.636 0.157 1.00 62.15 C ATOM 2048 CG ASN A1014 4.128 10.331 1.493 1.00 55.31 C ATOM 2049 OD1 ASN A1014 5.259 10.751 1.753 1.00 65.22 O ATOM 2050 ND2 ASN A1014 3.128 10.442 2.351 1.00 72.24 N ATOM 0 H ASN A1014 3.647 8.360 -1.947 1.00 15.32 H new ATOM 0 HA ASN A1014 5.854 9.451 -0.561 1.00 34.51 H new ATOM 0 HB2 ASN A1014 3.549 10.391 -0.580 1.00 62.15 H new ATOM 0 HB3 ASN A1014 2.955 8.988 0.286 1.00 62.15 H new ATOM 0 HD21 ASN A1014 3.280 10.885 3.257 1.00 72.24 H new ATOM 0 HD22 ASN A1014 2.204 10.085 2.107 1.00 72.24 H new ATOM 2057 N PHE A1015 4.523 6.685 0.740 1.00 11.35 N ATOM 2058 CA PHE A1015 4.744 5.509 1.592 1.00 23.42 C ATOM 2059 C PHE A1015 6.065 4.846 1.232 1.00 52.42 C ATOM 2060 O PHE A1015 6.971 4.848 2.050 1.00 74.10 O ATOM 2061 CB PHE A1015 3.571 4.504 1.438 1.00 64.32 C ATOM 2062 CG PHE A1015 3.814 3.087 2.001 1.00 2.53 C ATOM 2063 CD1 PHE A1015 3.795 1.983 1.158 1.00 51.24 C ATOM 2064 CD2 PHE A1015 4.049 2.862 3.358 1.00 3.22 C ATOM 2065 CE1 PHE A1015 3.983 0.705 1.633 1.00 54.05 C ATOM 2066 CE2 PHE A1015 4.241 1.579 3.841 1.00 31.10 C ATOM 2067 CZ PHE A1015 4.208 0.499 2.975 1.00 63.12 C ATOM 0 H PHE A1015 3.630 6.664 0.247 1.00 11.35 H new ATOM 0 HA PHE A1015 4.787 5.830 2.633 1.00 23.42 H new ATOM 0 HB2 PHE A1015 2.693 4.923 1.930 1.00 64.32 H new ATOM 0 HB3 PHE A1015 3.331 4.416 0.378 1.00 64.32 H new ATOM 0 HD1 PHE A1015 3.628 2.132 0.101 1.00 51.24 H new ATOM 0 HD2 PHE A1015 4.081 3.699 4.040 1.00 3.22 H new ATOM 0 HE1 PHE A1015 3.954 -0.134 0.954 1.00 54.05 H new ATOM 0 HE2 PHE A1015 4.417 1.420 4.895 1.00 31.10 H new ATOM 0 HZ PHE A1015 4.358 -0.502 3.352 1.00 63.12 H new ATOM 2077 N GLU A1016 6.156 4.345 -0.018 1.00 72.33 N ATOM 2078 CA GLU A1016 7.312 3.595 -0.527 1.00 73.14 C ATOM 2079 C GLU A1016 8.637 4.316 -0.255 1.00 52.15 C ATOM 2080 O GLU A1016 9.565 3.714 0.294 1.00 55.15 O ATOM 2081 CB GLU A1016 7.160 3.337 -2.040 1.00 33.21 C ATOM 2082 CG GLU A1016 8.338 2.564 -2.670 1.00 73.12 C ATOM 2083 CD GLU A1016 8.137 2.303 -4.161 1.00 0.14 C ATOM 2084 OE1 GLU A1016 8.613 3.106 -4.986 1.00 14.25 O ATOM 2085 OE2 GLU A1016 7.466 1.311 -4.509 1.00 31.45 O ATOM 0 H GLU A1016 5.414 4.455 -0.709 1.00 72.33 H new ATOM 0 HA GLU A1016 7.337 2.645 0.007 1.00 73.14 H new ATOM 0 HB2 GLU A1016 6.240 2.778 -2.212 1.00 33.21 H new ATOM 0 HB3 GLU A1016 7.052 4.293 -2.552 1.00 33.21 H new ATOM 0 HG2 GLU A1016 9.258 3.130 -2.525 1.00 73.12 H new ATOM 0 HG3 GLU A1016 8.463 1.613 -2.152 1.00 73.12 H new ATOM 2092 N ALA A1017 8.683 5.616 -0.604 1.00 40.41 N ATOM 2093 CA ALA A1017 9.882 6.441 -0.425 1.00 74.11 C ATOM 2094 C ALA A1017 10.301 6.496 1.053 1.00 53.34 C ATOM 2095 O ALA A1017 11.370 5.996 1.407 1.00 2.42 O ATOM 2096 CB ALA A1017 9.662 7.852 -0.978 1.00 41.03 C ATOM 0 H ALA A1017 7.894 6.116 -1.014 1.00 40.41 H new ATOM 0 HA ALA A1017 10.692 5.977 -0.988 1.00 74.11 H new ATOM 0 HB1 ALA A1017 10.565 8.444 -0.833 1.00 41.03 H new ATOM 0 HB2 ALA A1017 9.432 7.794 -2.042 1.00 41.03 H new ATOM 0 HB3 ALA A1017 8.831 8.323 -0.453 1.00 41.03 H new ATOM 2102 N LYS A1018 9.409 7.015 1.919 1.00 11.34 N ATOM 2103 CA LYS A1018 9.746 7.278 3.336 1.00 23.10 C ATOM 2104 C LYS A1018 9.927 5.978 4.140 1.00 32.34 C ATOM 2105 O LYS A1018 10.730 5.928 5.086 1.00 64.22 O ATOM 2106 CB LYS A1018 8.683 8.193 3.995 1.00 71.42 C ATOM 2107 CG LYS A1018 8.514 9.576 3.304 1.00 13.25 C ATOM 2108 CD LYS A1018 7.923 10.651 4.246 1.00 22.53 C ATOM 2109 CE LYS A1018 8.885 10.998 5.395 1.00 74.25 C ATOM 2110 NZ LYS A1018 8.319 12.009 6.323 1.00 2.41 N ATOM 0 H LYS A1018 8.452 7.261 1.665 1.00 11.34 H new ATOM 0 HA LYS A1018 10.704 7.798 3.348 1.00 23.10 H new ATOM 0 HB2 LYS A1018 7.723 7.677 3.990 1.00 71.42 H new ATOM 0 HB3 LYS A1018 8.954 8.352 5.039 1.00 71.42 H new ATOM 0 HG2 LYS A1018 9.483 9.914 2.938 1.00 13.25 H new ATOM 0 HG3 LYS A1018 7.866 9.465 2.435 1.00 13.25 H new ATOM 0 HD2 LYS A1018 7.700 11.552 3.674 1.00 22.53 H new ATOM 0 HD3 LYS A1018 6.979 10.294 4.658 1.00 22.53 H new ATOM 0 HE2 LYS A1018 9.123 10.092 5.951 1.00 74.25 H new ATOM 0 HE3 LYS A1018 9.821 11.373 4.981 1.00 74.25 H new ATOM 0 HZ1 LYS A1018 9.005 12.209 7.079 1.00 2.41 H new ATOM 0 HZ2 LYS A1018 8.115 12.885 5.800 1.00 2.41 H new ATOM 0 HZ3 LYS A1018 7.440 11.643 6.741 1.00 2.41 H new ATOM 2124 N MET A1019 9.216 4.916 3.739 1.00 12.21 N ATOM 2125 CA MET A1019 9.285 3.626 4.439 1.00 44.54 C ATOM 2126 C MET A1019 10.569 2.873 4.040 1.00 62.31 C ATOM 2127 O MET A1019 11.084 2.071 4.814 1.00 54.34 O ATOM 2128 CB MET A1019 8.020 2.752 4.203 1.00 11.53 C ATOM 2129 CG MET A1019 7.956 1.998 2.849 1.00 63.42 C ATOM 2130 SD MET A1019 7.466 0.280 3.052 1.00 43.04 S ATOM 2131 CE MET A1019 8.702 -0.267 4.217 1.00 2.50 C ATOM 0 H MET A1019 8.588 4.924 2.935 1.00 12.21 H new ATOM 0 HA MET A1019 9.318 3.834 5.508 1.00 44.54 H new ATOM 0 HB2 MET A1019 7.954 2.019 5.007 1.00 11.53 H new ATOM 0 HB3 MET A1019 7.141 3.392 4.282 1.00 11.53 H new ATOM 0 HG2 MET A1019 7.249 2.500 2.188 1.00 63.42 H new ATOM 0 HG3 MET A1019 8.931 2.041 2.364 1.00 63.42 H new ATOM 0 HE1 MET A1019 8.678 -1.354 4.289 1.00 2.50 H new ATOM 0 HE2 MET A1019 9.688 0.052 3.879 1.00 2.50 H new ATOM 0 HE3 MET A1019 8.497 0.166 5.196 1.00 2.50 H new ATOM 2141 N ALA A1020 11.065 3.132 2.816 1.00 22.22 N ATOM 2142 CA ALA A1020 12.393 2.662 2.382 1.00 55.23 C ATOM 2143 C ALA A1020 13.494 3.507 3.046 1.00 40.14 C ATOM 2144 O ALA A1020 14.611 3.031 3.251 1.00 25.10 O ATOM 2145 CB ALA A1020 12.514 2.706 0.851 1.00 40.40 C ATOM 0 H ALA A1020 10.563 3.667 2.107 1.00 22.22 H new ATOM 0 HA ALA A1020 12.516 1.625 2.695 1.00 55.23 H new ATOM 0 HB1 ALA A1020 13.502 2.355 0.554 1.00 40.40 H new ATOM 0 HB2 ALA A1020 11.752 2.065 0.407 1.00 40.40 H new ATOM 0 HB3 ALA A1020 12.373 3.730 0.504 1.00 40.40 H new ATOM 2151 N LEU A1021 13.151 4.769 3.381 1.00 12.14 N ATOM 2152 CA LEU A1021 14.053 5.697 4.088 1.00 14.41 C ATOM 2153 C LEU A1021 14.063 5.444 5.614 1.00 25.32 C ATOM 2154 O LEU A1021 14.928 5.994 6.299 1.00 10.23 O ATOM 2155 CB LEU A1021 13.678 7.172 3.759 1.00 42.25 C ATOM 2156 CG LEU A1021 13.897 7.622 2.274 1.00 32.05 C ATOM 2157 CD1 LEU A1021 13.354 9.050 2.020 1.00 3.53 C ATOM 2158 CD2 LEU A1021 15.381 7.495 1.865 1.00 53.44 C ATOM 0 H LEU A1021 12.239 5.172 3.167 1.00 12.14 H new ATOM 0 HA LEU A1021 15.067 5.512 3.733 1.00 14.41 H new ATOM 0 HB2 LEU A1021 12.629 7.325 4.013 1.00 42.25 H new ATOM 0 HB3 LEU A1021 14.261 7.827 4.406 1.00 42.25 H new ATOM 0 HG LEU A1021 13.322 6.947 1.640 1.00 32.05 H new ATOM 0 HD11 LEU A1021 13.525 9.325 0.979 1.00 3.53 H new ATOM 0 HD12 LEU A1021 12.285 9.076 2.231 1.00 3.53 H new ATOM 0 HD13 LEU A1021 13.869 9.756 2.671 1.00 3.53 H new ATOM 0 HD21 LEU A1021 15.502 7.814 0.830 1.00 53.44 H new ATOM 0 HD22 LEU A1021 15.992 8.124 2.512 1.00 53.44 H new ATOM 0 HD23 LEU A1021 15.698 6.457 1.964 1.00 53.44 H new ATOM 2170 N LEU A1022 13.082 4.648 6.138 1.00 45.33 N ATOM 2171 CA LEU A1022 13.119 4.113 7.534 1.00 61.51 C ATOM 2172 C LEU A1022 14.492 3.450 7.818 1.00 72.21 C ATOM 2173 O LEU A1022 14.800 2.420 7.213 1.00 1.22 O ATOM 2174 CB LEU A1022 11.995 3.056 7.792 1.00 72.10 C ATOM 2175 CG LEU A1022 10.527 3.575 7.891 1.00 72.11 C ATOM 2176 CD1 LEU A1022 9.529 2.399 8.034 1.00 50.42 C ATOM 2177 CD2 LEU A1022 10.363 4.581 9.043 1.00 75.35 C ATOM 0 H LEU A1022 12.255 4.363 5.613 1.00 45.33 H new ATOM 0 HA LEU A1022 12.957 4.961 8.200 1.00 61.51 H new ATOM 0 HB2 LEU A1022 12.037 2.318 6.991 1.00 72.10 H new ATOM 0 HB3 LEU A1022 12.231 2.534 8.720 1.00 72.10 H new ATOM 0 HG LEU A1022 10.300 4.098 6.962 1.00 72.11 H new ATOM 0 HD11 LEU A1022 8.514 2.790 8.101 1.00 50.42 H new ATOM 0 HD12 LEU A1022 9.610 1.745 7.165 1.00 50.42 H new ATOM 0 HD13 LEU A1022 9.760 1.833 8.936 1.00 50.42 H new ATOM 0 HD21 LEU A1022 9.329 4.922 9.083 1.00 75.35 H new ATOM 0 HD22 LEU A1022 10.624 4.100 9.986 1.00 75.35 H new ATOM 0 HD23 LEU A1022 11.020 5.434 8.877 1.00 75.35 H new