USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 31 GLN : amide:sc= -8.11! C(o=-11!,f=-14!) USER MOD Set 1.2: A 80 SER OG : rot 26:sc= 1.33 USER MOD Set 1.3: A 81 MET CE :methyl 139:sc= -4.72 (180deg=-5.56!) USER MOD Set 2.1: A 41 HIS :FLIP no HD1:sc= -4.38 F(o=-11,f=-9.3) USER MOD Set 2.2: A 43 GLN : amide:sc= -4.96! C(o=-9.3!,f=-13!) USER MOD Set 3.1: A 22 HIS : no HD1:sc= -4.63! C(o=-16!,f=-19!) USER MOD Set 3.2: A 24 SER OG : rot -170:sc= -0.555 USER MOD Set 3.3: A 25 MET CE :methyl -149:sc= -3.58 (180deg=-5.9!) USER MOD Set 3.4: A 48 MET CE :methyl -108:sc= -2.62 (180deg=-1.34) USER MOD Set 3.5: A 57 MET CE :methyl -109:sc= -4.22! (180deg=-7.1!) USER MOD Set 4.1: A 14 ASN : amide:sc= -0.24 K(o=-0.4,f=-3.8) USER MOD Set 4.2: A 39 ASN :FLIP amide:sc= -0.164 F(o=-0.91,f=-0.4) USER MOD Single : A 4 GLN : amide:sc=-0.00171 X(o=-0.0017,f=-0.2) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -12:sc= 0.925 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 20 SER OG : rot 31:sc= 0.0251 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 130:sc= -1.32 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.87 USER MOD Single : A 34 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -150:sc= -0.205 USER MOD Single : A 53 SER OG : rot 180:sc= 0.063 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc=-0.00122 (180deg=-0.368) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -46:sc= 0.945 USER MOD Single : A 73 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.52) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.011 0.384 19.458 1.00 74.32 N ATOM 2 CA ALA A 2 -13.292 0.858 18.283 1.00 43.44 C ATOM 3 C ALA A 2 -11.810 0.508 18.368 1.00 41.42 C ATOM 4 O ALA A 2 -11.071 1.087 19.164 1.00 23.24 O ATOM 5 CB ALA A 2 -13.473 2.361 18.124 1.00 61.32 C ATOM 0 HA ALA A 2 -13.707 0.358 17.408 1.00 43.44 H new ATOM 0 HB1 ALA A 2 -12.930 2.702 17.242 1.00 61.32 H new ATOM 0 HB2 ALA A 2 -14.533 2.590 18.009 1.00 61.32 H new ATOM 0 HB3 ALA A 2 -13.086 2.870 19.007 1.00 61.32 H new ATOM 11 N ARG A 3 -11.383 -0.442 17.543 1.00 43.13 N ATOM 12 CA ARG A 3 -9.989 -0.870 17.527 1.00 72.02 C ATOM 13 C ARG A 3 -9.285 -0.381 16.265 1.00 44.12 C ATOM 14 O ARG A 3 -9.926 -0.110 15.250 1.00 33.03 O ATOM 15 CB ARG A 3 -9.901 -2.395 17.615 1.00 41.33 C ATOM 16 CG ARG A 3 -10.041 -2.932 19.029 1.00 34.44 C ATOM 17 CD ARG A 3 -9.789 -4.431 19.084 1.00 44.14 C ATOM 18 NE ARG A 3 -9.027 -4.815 20.269 1.00 41.01 N ATOM 19 CZ ARG A 3 -8.671 -6.066 20.540 1.00 3.42 C ATOM 20 NH1 ARG A 3 -9.005 -7.048 19.715 1.00 53.44 N ATOM 21 NH2 ARG A 3 -7.978 -6.336 21.639 1.00 2.11 N ATOM 0 H ARG A 3 -11.982 -0.930 16.877 1.00 43.13 H new ATOM 0 HA ARG A 3 -9.491 -0.433 18.393 1.00 72.02 H new ATOM 0 HB2 ARG A 3 -10.680 -2.832 16.991 1.00 41.33 H new ATOM 0 HB3 ARG A 3 -8.945 -2.720 17.205 1.00 41.33 H new ATOM 0 HG2 ARG A 3 -9.337 -2.420 19.685 1.00 34.44 H new ATOM 0 HG3 ARG A 3 -11.042 -2.716 19.404 1.00 34.44 H new ATOM 0 HD2 ARG A 3 -10.742 -4.959 19.079 1.00 44.14 H new ATOM 0 HD3 ARG A 3 -9.249 -4.741 18.189 1.00 44.14 H new ATOM 0 HE ARG A 3 -8.753 -4.083 20.924 1.00 41.01 H new ATOM 0 HH11 ARG A 3 -9.537 -6.844 18.869 1.00 53.44 H new ATOM 0 HH12 ARG A 3 -8.730 -8.007 19.926 1.00 53.44 H new ATOM 0 HH21 ARG A 3 -7.718 -5.583 22.276 1.00 2.11 H new ATOM 0 HH22 ARG A 3 -7.705 -7.297 21.847 1.00 2.11 H new ATOM 35 N GLN A 4 -7.962 -0.270 16.337 1.00 70.42 N ATOM 36 CA GLN A 4 -7.171 0.187 15.200 1.00 12.24 C ATOM 37 C GLN A 4 -6.562 -0.993 14.451 1.00 51.14 C ATOM 38 O GLN A 4 -6.380 -2.072 15.014 1.00 60.42 O ATOM 39 CB GLN A 4 -6.065 1.134 15.670 1.00 54.12 C ATOM 40 CG GLN A 4 -4.988 0.449 16.496 1.00 52.54 C ATOM 41 CD GLN A 4 -4.488 1.315 17.635 1.00 10.12 C ATOM 42 OE1 GLN A 4 -4.423 2.539 17.518 1.00 1.10 O ATOM 43 NE2 GLN A 4 -4.131 0.683 18.747 1.00 74.40 N ATOM 0 H GLN A 4 -7.416 -0.490 17.170 1.00 70.42 H new ATOM 0 HA GLN A 4 -7.834 0.722 14.520 1.00 12.24 H new ATOM 0 HB2 GLN A 4 -5.603 1.600 14.800 1.00 54.12 H new ATOM 0 HB3 GLN A 4 -6.510 1.934 16.261 1.00 54.12 H new ATOM 0 HG2 GLN A 4 -5.383 -0.483 16.900 1.00 52.54 H new ATOM 0 HG3 GLN A 4 -4.151 0.187 15.849 1.00 52.54 H new ATOM 0 HE21 GLN A 4 -4.201 -0.333 18.801 1.00 74.40 H new ATOM 0 HE22 GLN A 4 -3.787 1.214 19.547 1.00 74.40 H new ATOM 52 N VAL A 5 -6.249 -0.780 13.176 1.00 31.33 N ATOM 53 CA VAL A 5 -5.660 -1.826 12.349 1.00 23.20 C ATOM 54 C VAL A 5 -4.301 -1.397 11.806 1.00 73.21 C ATOM 55 O VAL A 5 -4.003 -0.205 11.723 1.00 72.42 O ATOM 56 CB VAL A 5 -6.579 -2.194 11.169 1.00 13.33 C ATOM 57 CG1 VAL A 5 -7.938 -2.655 11.675 1.00 64.44 C ATOM 58 CG2 VAL A 5 -6.727 -1.013 10.222 1.00 61.04 C ATOM 0 H VAL A 5 -6.394 0.107 12.694 1.00 31.33 H new ATOM 0 HA VAL A 5 -5.534 -2.700 12.987 1.00 23.20 H new ATOM 0 HB VAL A 5 -6.124 -3.018 10.619 1.00 13.33 H new ATOM 0 HG11 VAL A 5 -8.574 -2.911 10.828 1.00 64.44 H new ATOM 0 HG12 VAL A 5 -7.811 -3.531 12.311 1.00 64.44 H new ATOM 0 HG13 VAL A 5 -8.403 -1.854 12.249 1.00 64.44 H new ATOM 0 HG21 VAL A 5 -7.379 -1.290 9.394 1.00 61.04 H new ATOM 0 HG22 VAL A 5 -7.160 -0.169 10.758 1.00 61.04 H new ATOM 0 HG23 VAL A 5 -5.748 -0.733 9.834 1.00 61.04 H new ATOM 68 N ILE A 6 -3.482 -2.376 11.437 1.00 40.01 N ATOM 69 CA ILE A 6 -2.155 -2.099 10.900 1.00 75.33 C ATOM 70 C ILE A 6 -2.207 -1.886 9.391 1.00 50.13 C ATOM 71 O ILE A 6 -3.054 -2.455 8.702 1.00 71.55 O ATOM 72 CB ILE A 6 -1.172 -3.243 11.212 1.00 50.31 C ATOM 73 CG1 ILE A 6 -1.163 -3.541 12.713 1.00 63.25 C ATOM 74 CG2 ILE A 6 0.226 -2.886 10.729 1.00 53.24 C ATOM 75 CD1 ILE A 6 -2.201 -4.558 13.133 1.00 63.12 C ATOM 0 H ILE A 6 -3.714 -3.367 11.500 1.00 40.01 H new ATOM 0 HA ILE A 6 -1.803 -1.187 11.382 1.00 75.33 H new ATOM 0 HB ILE A 6 -1.500 -4.139 10.685 1.00 50.31 H new ATOM 0 HG12 ILE A 6 -0.175 -3.903 12.997 1.00 63.25 H new ATOM 0 HG13 ILE A 6 -1.332 -2.614 13.260 1.00 63.25 H new ATOM 0 HG21 ILE A 6 0.910 -3.704 10.957 1.00 53.24 H new ATOM 0 HG22 ILE A 6 0.207 -2.718 9.652 1.00 53.24 H new ATOM 0 HG23 ILE A 6 0.564 -1.980 11.232 1.00 53.24 H new ATOM 0 HD11 ILE A 6 -2.137 -4.720 14.209 1.00 63.12 H new ATOM 0 HD12 ILE A 6 -3.195 -4.189 12.880 1.00 63.12 H new ATOM 0 HD13 ILE A 6 -2.020 -5.499 12.613 1.00 63.12 H new ATOM 87 N CYS A 7 -1.295 -1.064 8.884 1.00 51.12 N ATOM 88 CA CYS A 7 -1.235 -0.776 7.455 1.00 14.31 C ATOM 89 C CYS A 7 -0.583 -1.926 6.695 1.00 4.23 C ATOM 90 O CYS A 7 0.181 -2.705 7.265 1.00 4.33 O ATOM 91 CB CYS A 7 -0.462 0.520 7.207 1.00 64.11 C ATOM 92 SG CYS A 7 1.324 0.372 7.453 1.00 14.20 S ATOM 0 H CYS A 7 -0.587 -0.585 9.441 1.00 51.12 H new ATOM 0 HA CYS A 7 -2.255 -0.657 7.090 1.00 14.31 H new ATOM 0 HB2 CYS A 7 -0.651 0.854 6.187 1.00 64.11 H new ATOM 0 HB3 CYS A 7 -0.847 1.293 7.872 1.00 64.11 H new ATOM 0 HG CYS A 7 1.891 1.518 7.218 1.00 14.20 H new ATOM 98 N TRP A 8 -0.890 -2.026 5.407 1.00 21.52 N ATOM 99 CA TRP A 8 -0.334 -3.083 4.569 1.00 30.14 C ATOM 100 C TRP A 8 0.736 -2.530 3.634 1.00 33.32 C ATOM 101 O TRP A 8 0.443 -1.728 2.747 1.00 71.23 O ATOM 102 CB TRP A 8 -1.443 -3.754 3.756 1.00 5.15 C ATOM 103 CG TRP A 8 -2.412 -4.528 4.598 1.00 5.55 C ATOM 104 CD1 TRP A 8 -3.293 -4.020 5.509 1.00 15.41 C ATOM 105 CD2 TRP A 8 -2.594 -5.947 4.609 1.00 74.54 C ATOM 106 NE1 TRP A 8 -4.014 -5.038 6.085 1.00 63.42 N ATOM 107 CE2 TRP A 8 -3.604 -6.231 5.549 1.00 54.32 C ATOM 108 CE3 TRP A 8 -2.005 -7.007 3.914 1.00 51.04 C ATOM 109 CZ2 TRP A 8 -4.035 -7.529 5.810 1.00 4.25 C ATOM 110 CZ3 TRP A 8 -2.433 -8.295 4.175 1.00 41.33 C ATOM 111 CH2 TRP A 8 -3.440 -8.547 5.116 1.00 51.13 C ATOM 0 H TRP A 8 -1.520 -1.389 4.920 1.00 21.52 H new ATOM 0 HA TRP A 8 0.128 -3.824 5.221 1.00 30.14 H new ATOM 0 HB2 TRP A 8 -1.986 -2.992 3.198 1.00 5.15 H new ATOM 0 HB3 TRP A 8 -0.992 -4.425 3.024 1.00 5.15 H new ATOM 0 HD1 TRP A 8 -3.407 -2.972 5.743 1.00 15.41 H new ATOM 0 HE1 TRP A 8 -4.737 -4.924 6.796 1.00 63.42 H new ATOM 0 HE3 TRP A 8 -1.229 -6.823 3.186 1.00 51.04 H new ATOM 0 HZ2 TRP A 8 -4.811 -7.725 6.535 1.00 4.25 H new ATOM 0 HZ3 TRP A 8 -1.984 -9.121 3.644 1.00 41.33 H new ATOM 0 HH2 TRP A 8 -3.753 -9.565 5.297 1.00 51.13 H new ATOM 122 N CYS A 9 1.975 -2.963 3.838 1.00 32.42 N ATOM 123 CA CYS A 9 3.089 -2.511 3.013 1.00 53.54 C ATOM 124 C CYS A 9 3.393 -3.519 1.910 1.00 65.21 C ATOM 125 O CYS A 9 3.753 -4.665 2.184 1.00 54.43 O ATOM 126 CB CYS A 9 4.332 -2.288 3.875 1.00 41.12 C ATOM 127 SG CYS A 9 4.810 -3.723 4.866 1.00 50.05 S ATOM 0 H CYS A 9 2.233 -3.627 4.568 1.00 32.42 H new ATOM 0 HA CYS A 9 2.805 -1.567 2.548 1.00 53.54 H new ATOM 0 HB2 CYS A 9 5.165 -2.013 3.228 1.00 41.12 H new ATOM 0 HB3 CYS A 9 4.153 -1.444 4.541 1.00 41.12 H new ATOM 0 HG CYS A 9 3.854 -4.604 4.844 1.00 50.05 H new ATOM 133 N PHE A 10 3.246 -3.086 0.662 1.00 22.41 N ATOM 134 CA PHE A 10 3.503 -3.952 -0.483 1.00 31.33 C ATOM 135 C PHE A 10 4.349 -3.234 -1.529 1.00 43.43 C ATOM 136 O PHE A 10 4.484 -2.010 -1.503 1.00 2.33 O ATOM 137 CB PHE A 10 2.184 -4.414 -1.106 1.00 51.42 C ATOM 138 CG PHE A 10 1.634 -3.455 -2.123 1.00 13.52 C ATOM 139 CD1 PHE A 10 0.906 -2.345 -1.725 1.00 0.41 C ATOM 140 CD2 PHE A 10 1.845 -3.663 -3.476 1.00 53.43 C ATOM 141 CE1 PHE A 10 0.398 -1.461 -2.658 1.00 60.14 C ATOM 142 CE2 PHE A 10 1.339 -2.782 -4.415 1.00 24.25 C ATOM 143 CZ PHE A 10 0.616 -1.679 -4.005 1.00 20.52 C ATOM 0 H PHE A 10 2.950 -2.141 0.418 1.00 22.41 H new ATOM 0 HA PHE A 10 4.055 -4.823 -0.131 1.00 31.33 H new ATOM 0 HB2 PHE A 10 2.335 -5.385 -1.578 1.00 51.42 H new ATOM 0 HB3 PHE A 10 1.447 -4.555 -0.315 1.00 51.42 H new ATOM 0 HD1 PHE A 10 0.734 -2.169 -0.674 1.00 0.41 H new ATOM 0 HD2 PHE A 10 2.411 -4.523 -3.802 1.00 53.43 H new ATOM 0 HE1 PHE A 10 -0.169 -0.601 -2.335 1.00 60.14 H new ATOM 0 HE2 PHE A 10 1.509 -2.957 -5.467 1.00 24.25 H new ATOM 0 HZ PHE A 10 0.222 -0.988 -4.736 1.00 20.52 H new ATOM 153 N THR A 11 4.919 -4.003 -2.452 1.00 20.35 N ATOM 154 CA THR A 11 5.754 -3.442 -3.506 1.00 72.12 C ATOM 155 C THR A 11 5.379 -4.016 -4.868 1.00 24.22 C ATOM 156 O THR A 11 5.289 -5.233 -5.036 1.00 73.13 O ATOM 157 CB THR A 11 7.248 -3.709 -3.242 1.00 73.32 C ATOM 158 OG1 THR A 11 7.579 -3.350 -1.896 1.00 62.13 O ATOM 159 CG2 THR A 11 8.117 -2.923 -4.211 1.00 45.22 C ATOM 0 H THR A 11 4.817 -5.017 -2.490 1.00 20.35 H new ATOM 0 HA THR A 11 5.580 -2.366 -3.508 1.00 72.12 H new ATOM 0 HB THR A 11 7.437 -4.772 -3.390 1.00 73.32 H new ATOM 0 HG1 THR A 11 8.530 -3.524 -1.735 1.00 62.13 H new ATOM 0 HG21 THR A 11 9.168 -3.127 -4.005 1.00 45.22 H new ATOM 0 HG22 THR A 11 7.883 -3.220 -5.233 1.00 45.22 H new ATOM 0 HG23 THR A 11 7.924 -1.857 -4.090 1.00 45.22 H new ATOM 167 N LEU A 12 5.163 -3.134 -5.837 1.00 65.23 N ATOM 168 CA LEU A 12 4.800 -3.554 -7.186 1.00 54.33 C ATOM 169 C LEU A 12 5.832 -3.076 -8.202 1.00 62.22 C ATOM 170 O LEU A 12 6.144 -1.888 -8.273 1.00 64.41 O ATOM 171 CB LEU A 12 3.417 -3.012 -7.554 1.00 60.54 C ATOM 172 CG LEU A 12 3.051 -3.060 -9.038 1.00 40.23 C ATOM 173 CD1 LEU A 12 3.383 -4.422 -9.627 1.00 25.01 C ATOM 174 CD2 LEU A 12 1.577 -2.737 -9.234 1.00 72.35 C ATOM 0 H LEU A 12 5.233 -2.124 -5.714 1.00 65.23 H new ATOM 0 HA LEU A 12 4.775 -4.644 -7.207 1.00 54.33 H new ATOM 0 HB2 LEU A 12 2.668 -3.575 -6.997 1.00 60.54 H new ATOM 0 HB3 LEU A 12 3.353 -1.977 -7.218 1.00 60.54 H new ATOM 0 HG LEU A 12 3.641 -2.308 -9.562 1.00 40.23 H new ATOM 0 HD11 LEU A 12 3.115 -4.437 -10.684 1.00 25.01 H new ATOM 0 HD12 LEU A 12 4.451 -4.614 -9.520 1.00 25.01 H new ATOM 0 HD13 LEU A 12 2.821 -5.193 -9.100 1.00 25.01 H new ATOM 0 HD21 LEU A 12 1.334 -2.776 -10.296 1.00 72.35 H new ATOM 0 HD22 LEU A 12 0.970 -3.465 -8.696 1.00 72.35 H new ATOM 0 HD23 LEU A 12 1.369 -1.738 -8.851 1.00 72.35 H new ATOM 186 N ASN A 13 6.357 -4.010 -8.988 1.00 62.44 N ATOM 187 CA ASN A 13 7.354 -3.685 -10.002 1.00 54.43 C ATOM 188 C ASN A 13 6.751 -3.760 -11.402 1.00 33.43 C ATOM 189 O ASN A 13 6.000 -4.683 -11.716 1.00 23.20 O ATOM 190 CB ASN A 13 8.548 -4.635 -9.897 1.00 61.03 C ATOM 191 CG ASN A 13 9.065 -4.760 -8.477 1.00 14.31 C ATOM 192 OD1 ASN A 13 8.770 -5.731 -7.781 1.00 23.43 O ATOM 193 ND2 ASN A 13 9.839 -3.773 -8.041 1.00 22.35 N ATOM 0 H ASN A 13 6.109 -4.998 -8.942 1.00 62.44 H new ATOM 0 HA ASN A 13 7.694 -2.664 -9.827 1.00 54.43 H new ATOM 0 HB2 ASN A 13 8.258 -5.620 -10.263 1.00 61.03 H new ATOM 0 HB3 ASN A 13 9.350 -4.278 -10.543 1.00 61.03 H new ATOM 0 HD21 ASN A 13 10.215 -3.801 -7.093 1.00 22.35 H new ATOM 0 HD22 ASN A 13 10.057 -2.987 -8.654 1.00 22.35 H new ATOM 200 N ASN A 14 7.085 -2.783 -12.238 1.00 64.21 N ATOM 201 CA ASN A 14 6.577 -2.739 -13.604 1.00 42.14 C ATOM 202 C ASN A 14 5.060 -2.896 -13.626 1.00 13.53 C ATOM 203 O ASN A 14 4.519 -3.871 -14.147 1.00 54.34 O ATOM 204 CB ASN A 14 7.226 -3.838 -14.448 1.00 4.10 C ATOM 205 CG ASN A 14 6.941 -3.675 -15.928 1.00 60.04 C ATOM 206 OD1 ASN A 14 7.469 -2.773 -16.578 1.00 43.51 O ATOM 207 ND2 ASN A 14 6.101 -4.550 -16.469 1.00 23.42 N ATOM 0 H ASN A 14 7.705 -2.011 -11.994 1.00 64.21 H new ATOM 0 HA ASN A 14 6.830 -1.767 -14.027 1.00 42.14 H new ATOM 0 HB2 ASN A 14 8.304 -3.829 -14.285 1.00 4.10 H new ATOM 0 HB3 ASN A 14 6.862 -4.810 -14.116 1.00 4.10 H new ATOM 0 HD21 ASN A 14 5.871 -4.490 -17.461 1.00 23.42 H new ATOM 0 HD22 ASN A 14 5.686 -5.282 -15.893 1.00 23.42 H new ATOM 214 N PRO A 15 4.355 -1.912 -13.046 1.00 22.43 N ATOM 215 CA PRO A 15 2.891 -1.917 -12.986 1.00 34.31 C ATOM 216 C PRO A 15 2.254 -1.700 -14.354 1.00 52.42 C ATOM 217 O PRO A 15 2.762 -0.931 -15.172 1.00 30.12 O ATOM 218 CB PRO A 15 2.570 -0.746 -12.054 1.00 52.23 C ATOM 219 CG PRO A 15 3.741 0.166 -12.175 1.00 44.34 C ATOM 220 CD PRO A 15 4.934 -0.720 -12.404 1.00 63.13 C ATOM 0 HA PRO A 15 2.501 -2.874 -12.640 1.00 34.31 H new ATOM 0 HB2 PRO A 15 1.647 -0.247 -12.349 1.00 52.23 H new ATOM 0 HB3 PRO A 15 2.435 -1.083 -11.026 1.00 52.23 H new ATOM 0 HG2 PRO A 15 3.609 0.864 -13.002 1.00 44.34 H new ATOM 0 HG3 PRO A 15 3.866 0.763 -11.271 1.00 44.34 H new ATOM 0 HD2 PRO A 15 5.675 -0.239 -13.043 1.00 63.13 H new ATOM 0 HD3 PRO A 15 5.434 -0.970 -11.468 1.00 63.13 H new ATOM 228 N LEU A 16 1.139 -2.380 -14.598 1.00 10.24 N ATOM 229 CA LEU A 16 0.432 -2.260 -15.868 1.00 33.31 C ATOM 230 C LEU A 16 -0.602 -1.140 -15.812 1.00 71.13 C ATOM 231 O LEU A 16 -1.223 -0.804 -16.821 1.00 21.23 O ATOM 232 CB LEU A 16 -0.251 -3.583 -16.220 1.00 52.13 C ATOM 233 CG LEU A 16 0.654 -4.673 -16.795 1.00 73.22 C ATOM 234 CD1 LEU A 16 0.286 -6.031 -16.218 1.00 21.31 C ATOM 235 CD2 LEU A 16 0.563 -4.695 -18.314 1.00 64.31 C ATOM 0 H LEU A 16 0.705 -3.020 -13.933 1.00 10.24 H new ATOM 0 HA LEU A 16 1.161 -2.017 -16.641 1.00 33.31 H new ATOM 0 HB2 LEU A 16 -0.729 -3.972 -15.321 1.00 52.13 H new ATOM 0 HB3 LEU A 16 -1.044 -3.379 -16.940 1.00 52.13 H new ATOM 0 HG LEU A 16 1.683 -4.449 -16.516 1.00 73.22 H new ATOM 0 HD11 LEU A 16 0.940 -6.794 -16.639 1.00 21.31 H new ATOM 0 HD12 LEU A 16 0.403 -6.010 -15.134 1.00 21.31 H new ATOM 0 HD13 LEU A 16 -0.749 -6.264 -16.467 1.00 21.31 H new ATOM 0 HD21 LEU A 16 1.214 -5.477 -18.706 1.00 64.31 H new ATOM 0 HD22 LEU A 16 -0.466 -4.895 -18.614 1.00 64.31 H new ATOM 0 HD23 LEU A 16 0.876 -3.729 -18.711 1.00 64.31 H new ATOM 247 N SER A 17 -0.780 -0.564 -14.628 1.00 21.24 N ATOM 248 CA SER A 17 -1.740 0.518 -14.440 1.00 25.42 C ATOM 249 C SER A 17 -1.739 0.999 -12.992 1.00 72.21 C ATOM 250 O SER A 17 -1.291 0.304 -12.080 1.00 70.20 O ATOM 251 CB SER A 17 -3.144 0.057 -14.836 1.00 24.43 C ATOM 252 OG SER A 17 -3.314 -1.329 -14.590 1.00 42.40 O ATOM 0 H SER A 17 -0.272 -0.828 -13.784 1.00 21.24 H new ATOM 0 HA SER A 17 -1.444 1.349 -15.081 1.00 25.42 H new ATOM 0 HB2 SER A 17 -3.888 0.623 -14.275 1.00 24.43 H new ATOM 0 HB3 SER A 17 -3.314 0.266 -15.892 1.00 24.43 H new ATOM 0 HG SER A 17 -4.220 -1.599 -14.850 1.00 42.40 H new ATOM 258 N PRO A 18 -2.254 2.218 -12.775 1.00 0.23 N ATOM 259 CA PRO A 18 -2.326 2.821 -11.440 1.00 63.23 C ATOM 260 C PRO A 18 -3.343 2.124 -10.544 1.00 13.14 C ATOM 261 O PRO A 18 -4.303 1.522 -11.027 1.00 53.52 O ATOM 262 CB PRO A 18 -2.761 4.261 -11.724 1.00 64.33 C ATOM 263 CG PRO A 18 -3.483 4.189 -13.025 1.00 64.25 C ATOM 264 CD PRO A 18 -2.806 3.102 -13.815 1.00 11.41 C ATOM 0 HA PRO A 18 -1.378 2.745 -10.907 1.00 63.23 H new ATOM 0 HB2 PRO A 18 -3.407 4.643 -10.933 1.00 64.33 H new ATOM 0 HB3 PRO A 18 -1.902 4.929 -11.784 1.00 64.33 H new ATOM 0 HG2 PRO A 18 -4.538 3.962 -12.874 1.00 64.25 H new ATOM 0 HG3 PRO A 18 -3.434 5.142 -13.552 1.00 64.25 H new ATOM 0 HD2 PRO A 18 -3.510 2.575 -14.458 1.00 11.41 H new ATOM 0 HD3 PRO A 18 -2.023 3.502 -14.460 1.00 11.41 H new ATOM 272 N LEU A 19 -3.128 2.209 -9.235 1.00 53.25 N ATOM 273 CA LEU A 19 -4.028 1.587 -8.270 1.00 63.11 C ATOM 274 C LEU A 19 -5.310 2.399 -8.119 1.00 33.41 C ATOM 275 O LEU A 19 -5.417 3.511 -8.634 1.00 42.43 O ATOM 276 CB LEU A 19 -3.335 1.449 -6.913 1.00 70.13 C ATOM 277 CG LEU A 19 -1.907 0.902 -6.941 1.00 74.01 C ATOM 278 CD1 LEU A 19 -1.281 0.974 -5.557 1.00 72.30 C ATOM 279 CD2 LEU A 19 -1.894 -0.528 -7.461 1.00 31.20 C ATOM 0 H LEU A 19 -2.339 2.702 -8.818 1.00 53.25 H new ATOM 0 HA LEU A 19 -4.290 0.596 -8.640 1.00 63.11 H new ATOM 0 HB2 LEU A 19 -3.318 2.428 -6.435 1.00 70.13 H new ATOM 0 HB3 LEU A 19 -3.940 0.797 -6.283 1.00 70.13 H new ATOM 0 HG LEU A 19 -1.315 1.519 -7.617 1.00 74.01 H new ATOM 0 HD11 LEU A 19 -0.265 0.581 -5.596 1.00 72.30 H new ATOM 0 HD12 LEU A 19 -1.256 2.011 -5.223 1.00 72.30 H new ATOM 0 HD13 LEU A 19 -1.873 0.382 -4.859 1.00 72.30 H new ATOM 0 HD21 LEU A 19 -0.870 -0.901 -7.474 1.00 31.20 H new ATOM 0 HD22 LEU A 19 -2.501 -1.157 -6.810 1.00 31.20 H new ATOM 0 HD23 LEU A 19 -2.302 -0.551 -8.472 1.00 31.20 H new ATOM 291 N SER A 20 -6.281 1.835 -7.407 1.00 22.21 N ATOM 292 CA SER A 20 -7.557 2.505 -7.189 1.00 12.42 C ATOM 293 C SER A 20 -8.140 2.134 -5.829 1.00 13.53 C ATOM 294 O SER A 20 -7.809 1.093 -5.261 1.00 61.31 O ATOM 295 CB SER A 20 -8.546 2.139 -8.297 1.00 61.13 C ATOM 296 OG SER A 20 -8.496 3.079 -9.356 1.00 50.15 O ATOM 0 H SER A 20 -6.208 0.916 -6.971 1.00 22.21 H new ATOM 0 HA SER A 20 -7.382 3.581 -7.209 1.00 12.42 H new ATOM 0 HB2 SER A 20 -8.317 1.144 -8.679 1.00 61.13 H new ATOM 0 HB3 SER A 20 -9.556 2.100 -7.889 1.00 61.13 H new ATOM 0 HG SER A 20 -7.587 3.438 -9.432 1.00 50.15 H new ATOM 302 N LEU A 21 -9.011 2.994 -5.311 1.00 4.30 N ATOM 303 CA LEU A 21 -9.641 2.759 -4.017 1.00 35.41 C ATOM 304 C LEU A 21 -10.423 1.449 -4.023 1.00 31.34 C ATOM 305 O LEU A 21 -10.915 1.012 -5.063 1.00 72.34 O ATOM 306 CB LEU A 21 -10.572 3.920 -3.662 1.00 72.52 C ATOM 307 CG LEU A 21 -11.527 3.681 -2.492 1.00 72.21 C ATOM 308 CD1 LEU A 21 -10.760 3.619 -1.181 1.00 24.53 C ATOM 309 CD2 LEU A 21 -12.589 4.770 -2.440 1.00 20.45 C ATOM 0 H LEU A 21 -9.297 3.860 -5.768 1.00 4.30 H new ATOM 0 HA LEU A 21 -8.855 2.689 -3.265 1.00 35.41 H new ATOM 0 HB2 LEU A 21 -9.961 4.793 -3.433 1.00 72.52 H new ATOM 0 HB3 LEU A 21 -11.164 4.167 -4.543 1.00 72.52 H new ATOM 0 HG LEU A 21 -12.024 2.723 -2.643 1.00 72.21 H new ATOM 0 HD11 LEU A 21 -11.456 3.448 -0.360 1.00 24.53 H new ATOM 0 HD12 LEU A 21 -10.038 2.803 -1.220 1.00 24.53 H new ATOM 0 HD13 LEU A 21 -10.235 4.561 -1.022 1.00 24.53 H new ATOM 0 HD21 LEU A 21 -13.260 4.584 -1.601 1.00 20.45 H new ATOM 0 HD22 LEU A 21 -12.109 5.740 -2.313 1.00 20.45 H new ATOM 0 HD23 LEU A 21 -13.159 4.767 -3.369 1.00 20.45 H new ATOM 321 N HIS A 22 -10.535 0.827 -2.853 1.00 13.42 N ATOM 322 CA HIS A 22 -11.260 -0.432 -2.722 1.00 41.24 C ATOM 323 C HIS A 22 -12.501 -0.257 -1.852 1.00 4.12 C ATOM 324 O HIS A 22 -12.477 0.471 -0.859 1.00 25.31 O ATOM 325 CB HIS A 22 -10.352 -1.508 -2.126 1.00 42.24 C ATOM 326 CG HIS A 22 -10.843 -2.903 -2.362 1.00 25.25 C ATOM 327 ND1 HIS A 22 -10.829 -3.880 -1.388 1.00 52.31 N ATOM 328 CD2 HIS A 22 -11.365 -3.484 -3.467 1.00 45.54 C ATOM 329 CE1 HIS A 22 -11.320 -5.001 -1.885 1.00 50.24 C ATOM 330 NE2 HIS A 22 -11.653 -4.787 -3.146 1.00 1.04 N ATOM 0 H HIS A 22 -10.133 1.174 -1.982 1.00 13.42 H new ATOM 0 HA HIS A 22 -11.577 -0.745 -3.717 1.00 41.24 H new ATOM 0 HB2 HIS A 22 -9.354 -1.406 -2.551 1.00 42.24 H new ATOM 0 HB3 HIS A 22 -10.260 -1.341 -1.053 1.00 42.24 H new ATOM 0 HD2 HIS A 22 -11.525 -3.010 -4.424 1.00 45.54 H new ATOM 0 HE1 HIS A 22 -11.431 -5.934 -1.352 1.00 50.24 H new ATOM 0 HE2 HIS A 22 -12.058 -5.478 -3.778 1.00 1.04 H new ATOM 338 N ASP A 23 -13.583 -0.928 -2.231 1.00 3.40 N ATOM 339 CA ASP A 23 -14.833 -0.847 -1.485 1.00 0.33 C ATOM 340 C ASP A 23 -14.681 -1.470 -0.101 1.00 32.32 C ATOM 341 O ASP A 23 -15.426 -1.143 0.823 1.00 24.33 O ATOM 342 CB ASP A 23 -15.956 -1.546 -2.252 1.00 51.24 C ATOM 343 CG ASP A 23 -17.127 -0.624 -2.533 1.00 24.03 C ATOM 344 OD1 ASP A 23 -17.986 -0.469 -1.640 1.00 41.33 O ATOM 345 OD2 ASP A 23 -17.184 -0.059 -3.645 1.00 41.40 O ATOM 0 H ASP A 23 -13.620 -1.534 -3.051 1.00 3.40 H new ATOM 0 HA ASP A 23 -15.087 0.206 -1.364 1.00 0.33 H new ATOM 0 HB2 ASP A 23 -15.565 -1.929 -3.194 1.00 51.24 H new ATOM 0 HB3 ASP A 23 -16.303 -2.405 -1.679 1.00 51.24 H new ATOM 350 N SER A 24 -13.713 -2.371 0.034 1.00 42.21 N ATOM 351 CA SER A 24 -13.466 -3.044 1.304 1.00 74.23 C ATOM 352 C SER A 24 -12.531 -2.220 2.183 1.00 62.10 C ATOM 353 O SER A 24 -12.713 -2.141 3.397 1.00 4.45 O ATOM 354 CB SER A 24 -12.868 -4.431 1.062 1.00 63.11 C ATOM 355 OG SER A 24 -13.509 -5.081 -0.022 1.00 24.41 O ATOM 0 H SER A 24 -13.087 -2.652 -0.721 1.00 42.21 H new ATOM 0 HA SER A 24 -14.419 -3.153 1.821 1.00 74.23 H new ATOM 0 HB2 SER A 24 -11.802 -4.340 0.856 1.00 63.11 H new ATOM 0 HB3 SER A 24 -12.968 -5.036 1.963 1.00 63.11 H new ATOM 0 HG SER A 24 -13.222 -6.017 -0.058 1.00 24.41 H new ATOM 361 N MET A 25 -11.529 -1.609 1.560 1.00 41.45 N ATOM 362 CA MET A 25 -10.565 -0.789 2.284 1.00 24.35 C ATOM 363 C MET A 25 -11.207 0.506 2.769 1.00 55.53 C ATOM 364 O MET A 25 -12.407 0.720 2.592 1.00 10.51 O ATOM 365 CB MET A 25 -9.361 -0.474 1.395 1.00 44.30 C ATOM 366 CG MET A 25 -9.584 0.710 0.468 1.00 43.20 C ATOM 367 SD MET A 25 -8.057 1.294 -0.293 1.00 62.31 S ATOM 368 CE MET A 25 -7.576 -0.150 -1.238 1.00 54.13 C ATOM 0 H MET A 25 -11.363 -1.666 0.555 1.00 41.45 H new ATOM 0 HA MET A 25 -10.227 -1.353 3.153 1.00 24.35 H new ATOM 0 HB2 MET A 25 -8.496 -0.273 2.027 1.00 44.30 H new ATOM 0 HB3 MET A 25 -9.121 -1.353 0.797 1.00 44.30 H new ATOM 0 HG2 MET A 25 -10.289 0.427 -0.313 1.00 43.20 H new ATOM 0 HG3 MET A 25 -10.040 1.525 1.030 1.00 43.20 H new ATOM 0 HE1 MET A 25 -6.489 -0.196 -1.304 1.00 54.13 H new ATOM 0 HE2 MET A 25 -7.948 -1.048 -0.745 1.00 54.13 H new ATOM 0 HE3 MET A 25 -7.998 -0.086 -2.241 1.00 54.13 H new ATOM 378 N LYS A 26 -10.402 1.368 3.381 1.00 54.44 N ATOM 379 CA LYS A 26 -10.892 2.644 3.890 1.00 43.01 C ATOM 380 C LYS A 26 -10.065 3.802 3.340 1.00 12.45 C ATOM 381 O LYS A 26 -10.604 4.858 3.005 1.00 23.33 O ATOM 382 CB LYS A 26 -10.851 2.655 5.420 1.00 52.23 C ATOM 383 CG LYS A 26 -12.216 2.829 6.063 1.00 0.21 C ATOM 384 CD LYS A 26 -12.563 4.297 6.245 1.00 14.24 C ATOM 385 CE LYS A 26 -13.911 4.470 6.929 1.00 52.22 C ATOM 386 NZ LYS A 26 -13.915 5.632 7.861 1.00 74.32 N ATOM 0 H LYS A 26 -9.407 1.206 3.537 1.00 54.44 H new ATOM 0 HA LYS A 26 -11.923 2.768 3.559 1.00 43.01 H new ATOM 0 HB2 LYS A 26 -10.410 1.722 5.770 1.00 52.23 H new ATOM 0 HB3 LYS A 26 -10.197 3.461 5.752 1.00 52.23 H new ATOM 0 HG2 LYS A 26 -12.974 2.349 5.445 1.00 0.21 H new ATOM 0 HG3 LYS A 26 -12.230 2.328 7.031 1.00 0.21 H new ATOM 0 HD2 LYS A 26 -11.788 4.785 6.837 1.00 14.24 H new ATOM 0 HD3 LYS A 26 -12.581 4.791 5.274 1.00 14.24 H new ATOM 0 HE2 LYS A 26 -14.686 4.607 6.175 1.00 52.22 H new ATOM 0 HE3 LYS A 26 -14.158 3.562 7.479 1.00 52.22 H new ATOM 0 HZ1 LYS A 26 -14.851 5.716 8.307 1.00 74.32 H new ATOM 0 HZ2 LYS A 26 -13.193 5.490 8.596 1.00 74.32 H new ATOM 0 HZ3 LYS A 26 -13.704 6.502 7.332 1.00 74.32 H new ATOM 400 N TYR A 27 -8.756 3.598 3.250 1.00 61.14 N ATOM 401 CA TYR A 27 -7.855 4.626 2.741 1.00 33.33 C ATOM 402 C TYR A 27 -6.838 4.029 1.774 1.00 25.53 C ATOM 403 O TYR A 27 -6.419 2.880 1.926 1.00 41.03 O ATOM 404 CB TYR A 27 -7.132 5.317 3.898 1.00 24.22 C ATOM 405 CG TYR A 27 -6.712 6.736 3.588 1.00 22.04 C ATOM 406 CD1 TYR A 27 -7.650 7.697 3.232 1.00 35.33 C ATOM 407 CD2 TYR A 27 -5.377 7.116 3.651 1.00 40.03 C ATOM 408 CE1 TYR A 27 -7.272 8.994 2.948 1.00 43.43 C ATOM 409 CE2 TYR A 27 -4.989 8.412 3.369 1.00 32.33 C ATOM 410 CZ TYR A 27 -5.940 9.347 3.018 1.00 11.11 C ATOM 411 OH TYR A 27 -5.558 10.638 2.736 1.00 43.45 O ATOM 0 H TYR A 27 -8.295 2.730 3.523 1.00 61.14 H new ATOM 0 HA TYR A 27 -8.451 5.362 2.202 1.00 33.33 H new ATOM 0 HB2 TYR A 27 -7.784 5.323 4.771 1.00 24.22 H new ATOM 0 HB3 TYR A 27 -6.249 4.735 4.163 1.00 24.22 H new ATOM 0 HD1 TYR A 27 -8.694 7.425 3.176 1.00 35.33 H new ATOM 0 HD2 TYR A 27 -4.630 6.386 3.925 1.00 40.03 H new ATOM 0 HE1 TYR A 27 -8.015 9.728 2.673 1.00 43.43 H new ATOM 0 HE2 TYR A 27 -3.947 8.691 3.423 1.00 32.33 H new ATOM 0 HH TYR A 27 -4.983 10.974 3.455 1.00 43.45 H new ATOM 421 N LEU A 28 -6.443 4.817 0.780 1.00 21.53 N ATOM 422 CA LEU A 28 -5.473 4.368 -0.213 1.00 32.20 C ATOM 423 C LEU A 28 -4.301 5.339 -0.307 1.00 2.11 C ATOM 424 O LEU A 28 -4.488 6.536 -0.526 1.00 35.03 O ATOM 425 CB LEU A 28 -6.143 4.226 -1.581 1.00 33.53 C ATOM 426 CG LEU A 28 -5.207 4.220 -2.790 1.00 21.25 C ATOM 427 CD1 LEU A 28 -4.085 3.213 -2.591 1.00 21.42 C ATOM 428 CD2 LEU A 28 -5.982 3.914 -4.063 1.00 23.51 C ATOM 0 H LEU A 28 -6.779 5.770 0.640 1.00 21.53 H new ATOM 0 HA LEU A 28 -5.092 3.396 0.101 1.00 32.20 H new ATOM 0 HB2 LEU A 28 -6.718 3.300 -1.587 1.00 33.53 H new ATOM 0 HB3 LEU A 28 -6.854 5.043 -1.701 1.00 33.53 H new ATOM 0 HG LEU A 28 -4.764 5.211 -2.888 1.00 21.25 H new ATOM 0 HD11 LEU A 28 -3.429 3.223 -3.461 1.00 21.42 H new ATOM 0 HD12 LEU A 28 -3.512 3.477 -1.702 1.00 21.42 H new ATOM 0 HD13 LEU A 28 -4.508 2.216 -2.467 1.00 21.42 H new ATOM 0 HD21 LEU A 28 -5.300 3.914 -4.913 1.00 23.51 H new ATOM 0 HD22 LEU A 28 -6.453 2.935 -3.976 1.00 23.51 H new ATOM 0 HD23 LEU A 28 -6.749 4.674 -4.213 1.00 23.51 H new ATOM 440 N VAL A 29 -3.090 4.815 -0.142 1.00 53.22 N ATOM 441 CA VAL A 29 -1.887 5.635 -0.212 1.00 24.12 C ATOM 442 C VAL A 29 -0.759 4.897 -0.925 1.00 34.41 C ATOM 443 O VAL A 29 -0.359 3.807 -0.514 1.00 2.45 O ATOM 444 CB VAL A 29 -1.407 6.048 1.192 1.00 11.34 C ATOM 445 CG1 VAL A 29 -0.109 6.836 1.103 1.00 22.21 C ATOM 446 CG2 VAL A 29 -2.482 6.855 1.906 1.00 64.12 C ATOM 0 H VAL A 29 -2.917 3.827 0.041 1.00 53.22 H new ATOM 0 HA VAL A 29 -2.147 6.530 -0.778 1.00 24.12 H new ATOM 0 HB VAL A 29 -1.216 5.145 1.772 1.00 11.34 H new ATOM 0 HG11 VAL A 29 0.214 7.119 2.105 1.00 22.21 H new ATOM 0 HG12 VAL A 29 0.659 6.221 0.634 1.00 22.21 H new ATOM 0 HG13 VAL A 29 -0.269 7.734 0.506 1.00 22.21 H new ATOM 0 HG21 VAL A 29 -2.126 7.139 2.897 1.00 64.12 H new ATOM 0 HG22 VAL A 29 -2.706 7.753 1.330 1.00 64.12 H new ATOM 0 HG23 VAL A 29 -3.385 6.252 2.004 1.00 64.12 H new ATOM 456 N TYR A 30 -0.251 5.497 -1.995 1.00 72.45 N ATOM 457 CA TYR A 30 0.829 4.895 -2.768 1.00 4.32 C ATOM 458 C TYR A 30 1.662 5.967 -3.466 1.00 32.52 C ATOM 459 O TYR A 30 1.163 7.047 -3.781 1.00 63.54 O ATOM 460 CB TYR A 30 0.264 3.919 -3.801 1.00 41.20 C ATOM 461 CG TYR A 30 -0.315 4.598 -5.022 1.00 25.20 C ATOM 462 CD1 TYR A 30 -1.628 5.050 -5.033 1.00 73.51 C ATOM 463 CD2 TYR A 30 0.453 4.788 -6.164 1.00 43.24 C ATOM 464 CE1 TYR A 30 -2.161 5.669 -6.147 1.00 11.32 C ATOM 465 CE2 TYR A 30 -0.071 5.408 -7.282 1.00 43.31 C ATOM 466 CZ TYR A 30 -1.378 5.847 -7.269 1.00 35.44 C ATOM 467 OH TYR A 30 -1.905 6.465 -8.379 1.00 71.25 O ATOM 0 H TYR A 30 -0.569 6.400 -2.347 1.00 72.45 H new ATOM 0 HA TYR A 30 1.474 4.350 -2.079 1.00 4.32 H new ATOM 0 HB2 TYR A 30 1.055 3.238 -4.115 1.00 41.20 H new ATOM 0 HB3 TYR A 30 -0.511 3.313 -3.331 1.00 41.20 H new ATOM 0 HD1 TYR A 30 -2.243 4.915 -4.156 1.00 73.51 H new ATOM 0 HD2 TYR A 30 1.477 4.445 -6.178 1.00 43.24 H new ATOM 0 HE1 TYR A 30 -3.185 6.012 -6.140 1.00 11.32 H new ATOM 0 HE2 TYR A 30 0.540 5.548 -8.162 1.00 43.31 H new ATOM 0 HH TYR A 30 -1.223 6.513 -9.081 1.00 71.25 H new ATOM 477 N GLN A 31 2.932 5.658 -3.704 1.00 24.34 N ATOM 478 CA GLN A 31 3.835 6.593 -4.364 1.00 52.41 C ATOM 479 C GLN A 31 4.682 5.883 -5.415 1.00 13.20 C ATOM 480 O GLN A 31 4.865 4.667 -5.362 1.00 24.41 O ATOM 481 CB GLN A 31 4.741 7.273 -3.336 1.00 12.00 C ATOM 482 CG GLN A 31 4.024 7.652 -2.050 1.00 3.10 C ATOM 483 CD GLN A 31 4.850 8.571 -1.171 1.00 54.22 C ATOM 484 OE1 GLN A 31 4.973 8.351 0.034 1.00 64.31 O ATOM 485 NE2 GLN A 31 5.420 9.609 -1.771 1.00 40.41 N ATOM 0 H GLN A 31 3.359 4.767 -3.450 1.00 24.34 H new ATOM 0 HA GLN A 31 3.231 7.351 -4.862 1.00 52.41 H new ATOM 0 HB2 GLN A 31 5.570 6.607 -3.097 1.00 12.00 H new ATOM 0 HB3 GLN A 31 5.171 8.170 -3.780 1.00 12.00 H new ATOM 0 HG2 GLN A 31 3.081 8.140 -2.295 1.00 3.10 H new ATOM 0 HG3 GLN A 31 3.780 6.747 -1.494 1.00 3.10 H new ATOM 0 HE21 GLN A 31 5.291 9.753 -2.773 1.00 40.41 H new ATOM 0 HE22 GLN A 31 5.987 10.263 -1.230 1.00 40.41 H new ATOM 494 N THR A 32 5.196 6.651 -6.371 1.00 70.41 N ATOM 495 CA THR A 32 6.022 6.095 -7.435 1.00 61.04 C ATOM 496 C THR A 32 7.504 6.214 -7.100 1.00 23.22 C ATOM 497 O THR A 32 7.960 7.253 -6.624 1.00 64.11 O ATOM 498 CB THR A 32 5.754 6.798 -8.780 1.00 32.43 C ATOM 499 OG1 THR A 32 4.447 7.383 -8.774 1.00 42.51 O ATOM 500 CG2 THR A 32 5.870 5.816 -9.936 1.00 41.00 C ATOM 0 H THR A 32 5.055 7.659 -6.430 1.00 70.41 H new ATOM 0 HA THR A 32 5.756 5.042 -7.524 1.00 61.04 H new ATOM 0 HB THR A 32 6.502 7.580 -8.912 1.00 32.43 H new ATOM 0 HG1 THR A 32 4.284 7.829 -9.631 1.00 42.51 H new ATOM 0 HG21 THR A 32 5.677 6.335 -10.875 1.00 41.00 H new ATOM 0 HG22 THR A 32 6.875 5.393 -9.955 1.00 41.00 H new ATOM 0 HG23 THR A 32 5.142 5.015 -9.808 1.00 41.00 H new ATOM 508 N GLU A 33 8.251 5.143 -7.352 1.00 1.15 N ATOM 509 CA GLU A 33 9.683 5.129 -7.075 1.00 52.23 C ATOM 510 C GLU A 33 10.467 4.649 -8.293 1.00 62.10 C ATOM 511 O GLU A 33 9.909 4.031 -9.199 1.00 34.01 O ATOM 512 CB GLU A 33 9.984 4.231 -5.874 1.00 22.30 C ATOM 513 CG GLU A 33 9.829 4.932 -4.535 1.00 44.32 C ATOM 514 CD GLU A 33 8.804 4.263 -3.641 1.00 22.43 C ATOM 515 OE1 GLU A 33 7.597 4.525 -3.821 1.00 11.20 O ATOM 516 OE2 GLU A 33 9.210 3.475 -2.760 1.00 42.33 O ATOM 0 H GLU A 33 7.889 4.275 -7.747 1.00 1.15 H new ATOM 0 HA GLU A 33 9.993 6.148 -6.843 1.00 52.23 H new ATOM 0 HB2 GLU A 33 9.320 3.367 -5.901 1.00 22.30 H new ATOM 0 HB3 GLU A 33 11.002 3.852 -5.960 1.00 22.30 H new ATOM 0 HG2 GLU A 33 10.792 4.951 -4.026 1.00 44.32 H new ATOM 0 HG3 GLU A 33 9.537 5.969 -4.704 1.00 44.32 H new ATOM 523 N GLN A 34 11.764 4.939 -8.306 1.00 22.30 N ATOM 524 CA GLN A 34 12.625 4.538 -9.412 1.00 60.35 C ATOM 525 C GLN A 34 13.496 3.348 -9.021 1.00 53.13 C ATOM 526 O GLN A 34 14.017 3.287 -7.908 1.00 75.45 O ATOM 527 CB GLN A 34 13.507 5.708 -9.850 1.00 50.24 C ATOM 528 CG GLN A 34 14.066 5.556 -11.256 1.00 24.03 C ATOM 529 CD GLN A 34 13.650 6.687 -12.175 1.00 71.13 C ATOM 530 OE1 GLN A 34 14.009 7.844 -11.957 1.00 43.32 O ATOM 531 NE2 GLN A 34 12.888 6.357 -13.212 1.00 13.44 N ATOM 0 H GLN A 34 12.241 5.450 -7.563 1.00 22.30 H new ATOM 0 HA GLN A 34 11.988 4.241 -10.245 1.00 60.35 H new ATOM 0 HB2 GLN A 34 12.927 6.629 -9.796 1.00 50.24 H new ATOM 0 HB3 GLN A 34 14.335 5.811 -9.148 1.00 50.24 H new ATOM 0 HG2 GLN A 34 15.154 5.514 -11.208 1.00 24.03 H new ATOM 0 HG3 GLN A 34 13.729 4.609 -11.676 1.00 24.03 H new ATOM 0 HE21 GLN A 34 12.614 5.385 -13.355 1.00 13.44 H new ATOM 0 HE22 GLN A 34 12.577 7.076 -13.866 1.00 13.44 H new ATOM 540 N GLY A 35 13.649 2.404 -9.945 1.00 31.11 N ATOM 541 CA GLY A 35 14.457 1.228 -9.677 1.00 54.30 C ATOM 542 C GLY A 35 13.841 -0.038 -10.238 1.00 32.35 C ATOM 543 O GLY A 35 12.631 -0.104 -10.453 1.00 62.51 O ATOM 0 H GLY A 35 13.228 2.432 -10.874 1.00 31.11 H new ATOM 0 HA2 GLY A 35 15.449 1.367 -10.106 1.00 54.30 H new ATOM 0 HA3 GLY A 35 14.588 1.119 -8.600 1.00 54.30 H new ATOM 547 N GLU A 36 14.675 -1.045 -10.475 1.00 64.35 N ATOM 548 CA GLU A 36 14.205 -2.315 -11.017 1.00 10.21 C ATOM 549 C GLU A 36 13.622 -2.127 -12.414 1.00 74.55 C ATOM 550 O GLU A 36 12.649 -1.397 -12.600 1.00 33.13 O ATOM 551 CB GLU A 36 13.153 -2.931 -10.092 1.00 4.12 C ATOM 552 CG GLU A 36 12.083 -3.720 -10.827 1.00 64.30 C ATOM 553 CD GLU A 36 12.661 -4.838 -11.673 1.00 22.30 C ATOM 554 OE1 GLU A 36 13.799 -5.269 -11.392 1.00 10.25 O ATOM 555 OE2 GLU A 36 11.974 -5.283 -12.617 1.00 4.13 O ATOM 0 H GLU A 36 15.679 -1.007 -10.300 1.00 64.35 H new ATOM 0 HA GLU A 36 15.058 -2.990 -11.086 1.00 10.21 H new ATOM 0 HB2 GLU A 36 13.650 -3.587 -9.377 1.00 4.12 H new ATOM 0 HB3 GLU A 36 12.676 -2.136 -9.518 1.00 4.12 H new ATOM 0 HG2 GLU A 36 11.385 -4.141 -10.103 1.00 64.30 H new ATOM 0 HG3 GLU A 36 11.512 -3.045 -11.464 1.00 64.30 H new ATOM 562 N ALA A 37 14.224 -2.792 -13.395 1.00 23.32 N ATOM 563 CA ALA A 37 13.765 -2.701 -14.775 1.00 35.10 C ATOM 564 C ALA A 37 13.813 -1.262 -15.276 1.00 11.53 C ATOM 565 O ALA A 37 14.044 -0.333 -14.503 1.00 2.31 O ATOM 566 CB ALA A 37 12.354 -3.258 -14.899 1.00 61.14 C ATOM 0 H ALA A 37 15.031 -3.400 -13.259 1.00 23.32 H new ATOM 0 HA ALA A 37 14.435 -3.296 -15.395 1.00 35.10 H new ATOM 0 HB1 ALA A 37 12.023 -3.184 -15.935 1.00 61.14 H new ATOM 0 HB2 ALA A 37 12.347 -4.303 -14.590 1.00 61.14 H new ATOM 0 HB3 ALA A 37 11.680 -2.686 -14.261 1.00 61.14 H new ATOM 572 N GLY A 38 13.593 -1.084 -16.575 1.00 45.20 N ATOM 573 CA GLY A 38 13.617 0.246 -17.156 1.00 65.44 C ATOM 574 C GLY A 38 12.404 1.069 -16.772 1.00 30.41 C ATOM 575 O GLY A 38 12.357 2.272 -17.024 1.00 33.32 O ATOM 0 H GLY A 38 13.399 -1.837 -17.235 1.00 45.20 H new ATOM 0 HA2 GLY A 38 14.520 0.764 -16.833 1.00 65.44 H new ATOM 0 HA3 GLY A 38 13.667 0.164 -18.242 1.00 65.44 H new ATOM 579 N ASN A 39 11.419 0.418 -16.161 1.00 60.12 N ATOM 580 CA ASN A 39 10.198 1.097 -15.743 1.00 50.24 C ATOM 581 C ASN A 39 10.270 1.489 -14.271 1.00 30.45 C ATOM 582 O ASN A 39 11.328 1.403 -13.646 1.00 71.42 O ATOM 583 CB ASN A 39 8.982 0.200 -15.985 1.00 42.35 C ATOM 584 CG ASN A 39 8.914 -0.308 -17.413 1.00 31.15 C ATOM 585 OD1 ASN A 39 9.648 -1.378 -17.695 1.00 23.43 O flip ATOM 586 ND2 ASN A 39 8.209 0.255 -18.251 1.00 31.21 N flip ATOM 0 H ASN A 39 11.443 -0.578 -15.945 1.00 60.12 H new ATOM 0 HA ASN A 39 10.095 2.005 -16.338 1.00 50.24 H new ATOM 0 HB2 ASN A 39 9.018 -0.648 -15.302 1.00 42.35 H new ATOM 0 HB3 ASN A 39 8.073 0.756 -15.756 1.00 42.35 H new ATOM 0 HD21 ASN A 39 7.661 1.075 -17.989 1.00 31.21 H new ATOM 0 HD22 ASN A 39 8.173 -0.098 -19.207 1.00 31.21 H new ATOM 593 N ILE A 40 9.138 1.918 -13.722 1.00 64.31 N ATOM 594 CA ILE A 40 9.073 2.320 -12.323 1.00 11.42 C ATOM 595 C ILE A 40 8.251 1.331 -11.504 1.00 23.23 C ATOM 596 O ILE A 40 7.540 0.491 -12.056 1.00 62.31 O ATOM 597 CB ILE A 40 8.464 3.727 -12.170 1.00 32.44 C ATOM 598 CG1 ILE A 40 7.216 3.864 -13.044 1.00 71.33 C ATOM 599 CG2 ILE A 40 9.490 4.790 -12.530 1.00 52.55 C ATOM 600 CD1 ILE A 40 6.585 5.237 -12.986 1.00 13.15 C ATOM 0 H ILE A 40 8.254 1.996 -14.225 1.00 64.31 H new ATOM 0 HA ILE A 40 10.097 2.333 -11.950 1.00 11.42 H new ATOM 0 HB ILE A 40 8.173 3.870 -11.129 1.00 32.44 H new ATOM 0 HG12 ILE A 40 7.479 3.638 -14.077 1.00 71.33 H new ATOM 0 HG13 ILE A 40 6.481 3.122 -12.732 1.00 71.33 H new ATOM 0 HG21 ILE A 40 9.045 5.778 -12.417 1.00 52.55 H new ATOM 0 HG22 ILE A 40 10.352 4.702 -11.869 1.00 52.55 H new ATOM 0 HG23 ILE A 40 9.810 4.652 -13.563 1.00 52.55 H new ATOM 0 HD11 ILE A 40 5.706 5.261 -13.630 1.00 13.15 H new ATOM 0 HD12 ILE A 40 6.290 5.459 -11.960 1.00 13.15 H new ATOM 0 HD13 ILE A 40 7.304 5.982 -13.326 1.00 13.15 H new ATOM 612 N HIS A 41 8.352 1.437 -10.183 1.00 24.35 N ATOM 613 CA HIS A 41 7.616 0.552 -9.286 1.00 45.30 C ATOM 614 C HIS A 41 6.763 1.356 -8.310 1.00 54.11 C ATOM 615 O HIS A 41 7.090 2.495 -7.975 1.00 22.43 O ATOM 616 CB HIS A 41 8.583 -0.347 -8.515 1.00 45.30 C ATOM 617 CG HIS A 41 9.844 0.347 -8.100 1.00 65.12 C ATOM 618 ND1 HIS A 41 10.061 1.617 -7.685 1.00 64.42 N flip ATOM 619 CD2 HIS A 41 11.075 -0.274 -8.086 1.00 31.35 C flip ATOM 620 CE1 HIS A 41 11.405 1.738 -7.428 1.00 61.31 C flip ATOM 621 NE2 HIS A 41 11.994 0.583 -7.678 1.00 75.13 N flip ATOM 0 H HIS A 41 8.936 2.126 -9.710 1.00 24.35 H new ATOM 0 HA HIS A 41 6.957 -0.071 -9.890 1.00 45.30 H new ATOM 0 HB2 HIS A 41 8.080 -0.731 -7.627 1.00 45.30 H new ATOM 0 HB3 HIS A 41 8.838 -1.207 -9.134 1.00 45.30 H new ATOM 0 HD2 HIS A 41 11.259 -1.301 -8.365 1.00 31.35 H new ATOM 0 HE1 HIS A 41 11.899 2.632 -7.078 1.00 61.31 H new ATOM 0 HE2 HIS A 41 12.989 0.386 -7.574 1.00 75.13 H new ATOM 629 N PHE A 42 5.666 0.757 -7.858 1.00 60.42 N ATOM 630 CA PHE A 42 4.764 1.417 -6.922 1.00 50.41 C ATOM 631 C PHE A 42 5.001 0.923 -5.498 1.00 53.10 C ATOM 632 O PHE A 42 5.190 -0.271 -5.269 1.00 1.05 O ATOM 633 CB PHE A 42 3.308 1.172 -7.324 1.00 22.50 C ATOM 634 CG PHE A 42 2.824 2.087 -8.411 1.00 53.35 C ATOM 635 CD1 PHE A 42 3.688 2.528 -9.400 1.00 42.14 C ATOM 636 CD2 PHE A 42 1.504 2.508 -8.444 1.00 71.34 C ATOM 637 CE1 PHE A 42 3.246 3.371 -10.403 1.00 35.41 C ATOM 638 CE2 PHE A 42 1.055 3.350 -9.444 1.00 64.44 C ATOM 639 CZ PHE A 42 1.928 3.783 -10.424 1.00 75.41 C ATOM 0 H PHE A 42 5.380 -0.185 -8.125 1.00 60.42 H new ATOM 0 HA PHE A 42 4.967 2.487 -6.955 1.00 50.41 H new ATOM 0 HB2 PHE A 42 3.200 0.139 -7.655 1.00 22.50 H new ATOM 0 HB3 PHE A 42 2.672 1.294 -6.447 1.00 22.50 H new ATOM 0 HD1 PHE A 42 4.720 2.209 -9.387 1.00 42.14 H new ATOM 0 HD2 PHE A 42 0.818 2.174 -7.679 1.00 71.34 H new ATOM 0 HE1 PHE A 42 3.930 3.707 -11.168 1.00 35.41 H new ATOM 0 HE2 PHE A 42 0.023 3.669 -9.459 1.00 64.44 H new ATOM 0 HZ PHE A 42 1.580 4.443 -11.205 1.00 75.41 H new ATOM 649 N GLN A 43 4.989 1.851 -4.546 1.00 72.04 N ATOM 650 CA GLN A 43 5.203 1.510 -3.145 1.00 42.01 C ATOM 651 C GLN A 43 4.371 2.405 -2.233 1.00 55.44 C ATOM 652 O GLN A 43 4.248 3.606 -2.470 1.00 2.54 O ATOM 653 CB GLN A 43 6.685 1.637 -2.789 1.00 23.55 C ATOM 654 CG GLN A 43 7.421 0.306 -2.764 1.00 50.44 C ATOM 655 CD GLN A 43 8.382 0.150 -3.926 1.00 44.11 C ATOM 656 OE1 GLN A 43 8.007 0.324 -5.086 1.00 15.03 O ATOM 657 NE2 GLN A 43 9.632 -0.180 -3.621 1.00 11.45 N ATOM 0 H GLN A 43 4.833 2.844 -4.720 1.00 72.04 H new ATOM 0 HA GLN A 43 4.887 0.477 -2.996 1.00 42.01 H new ATOM 0 HB2 GLN A 43 7.168 2.296 -3.510 1.00 23.55 H new ATOM 0 HB3 GLN A 43 6.776 2.112 -1.812 1.00 23.55 H new ATOM 0 HG2 GLN A 43 7.971 0.217 -1.827 1.00 50.44 H new ATOM 0 HG3 GLN A 43 6.695 -0.507 -2.786 1.00 50.44 H new ATOM 0 HE21 GLN A 43 9.901 -0.315 -2.646 1.00 11.45 H new ATOM 0 HE22 GLN A 43 10.323 -0.299 -4.362 1.00 11.45 H new ATOM 666 N GLY A 44 3.799 1.811 -1.190 1.00 51.50 N ATOM 667 CA GLY A 44 2.984 2.570 -0.259 1.00 43.31 C ATOM 668 C GLY A 44 2.308 1.688 0.771 1.00 14.34 C ATOM 669 O GLY A 44 2.626 0.505 0.891 1.00 73.22 O ATOM 0 H GLY A 44 3.885 0.818 -0.973 1.00 51.50 H new ATOM 0 HA2 GLY A 44 3.608 3.305 0.250 1.00 43.31 H new ATOM 0 HA3 GLY A 44 2.226 3.124 -0.812 1.00 43.31 H new ATOM 673 N TYR A 45 1.373 2.265 1.519 1.00 62.11 N ATOM 674 CA TYR A 45 0.653 1.524 2.548 1.00 53.24 C ATOM 675 C TYR A 45 -0.853 1.590 2.312 1.00 13.04 C ATOM 676 O TYR A 45 -1.383 2.620 1.893 1.00 63.43 O ATOM 677 CB TYR A 45 0.988 2.078 3.934 1.00 63.44 C ATOM 678 CG TYR A 45 0.920 3.586 4.016 1.00 23.11 C ATOM 679 CD1 TYR A 45 -0.280 4.233 4.285 1.00 63.10 C ATOM 680 CD2 TYR A 45 2.055 4.364 3.824 1.00 23.23 C ATOM 681 CE1 TYR A 45 -0.347 5.611 4.361 1.00 61.33 C ATOM 682 CE2 TYR A 45 1.998 5.742 3.900 1.00 73.04 C ATOM 683 CZ TYR A 45 0.794 6.361 4.168 1.00 65.32 C ATOM 684 OH TYR A 45 0.733 7.733 4.242 1.00 13.42 O ATOM 0 H TYR A 45 1.096 3.243 1.432 1.00 62.11 H new ATOM 0 HA TYR A 45 0.966 0.481 2.496 1.00 53.24 H new ATOM 0 HB2 TYR A 45 0.299 1.651 4.663 1.00 63.44 H new ATOM 0 HB3 TYR A 45 1.990 1.752 4.214 1.00 63.44 H new ATOM 0 HD1 TYR A 45 -1.176 3.649 4.437 1.00 63.10 H new ATOM 0 HD2 TYR A 45 2.998 3.883 3.612 1.00 23.23 H new ATOM 0 HE1 TYR A 45 -1.288 6.098 4.570 1.00 61.33 H new ATOM 0 HE2 TYR A 45 2.890 6.332 3.751 1.00 73.04 H new ATOM 0 HH TYR A 45 1.624 8.109 4.083 1.00 13.42 H new ATOM 694 N ILE A 46 -1.537 0.484 2.587 1.00 51.34 N ATOM 695 CA ILE A 46 -2.982 0.416 2.407 1.00 20.11 C ATOM 696 C ILE A 46 -3.659 -0.204 3.625 1.00 4.10 C ATOM 697 O ILE A 46 -3.289 -1.292 4.065 1.00 11.24 O ATOM 698 CB ILE A 46 -3.356 -0.400 1.155 1.00 23.15 C ATOM 699 CG1 ILE A 46 -2.682 0.190 -0.085 1.00 3.01 C ATOM 700 CG2 ILE A 46 -4.866 -0.435 0.978 1.00 73.41 C ATOM 701 CD1 ILE A 46 -2.726 -0.724 -1.289 1.00 64.31 C ATOM 0 H ILE A 46 -1.114 -0.376 2.935 1.00 51.34 H new ATOM 0 HA ILE A 46 -3.333 1.440 2.281 1.00 20.11 H new ATOM 0 HB ILE A 46 -3.001 -1.422 1.286 1.00 23.15 H new ATOM 0 HG12 ILE A 46 -3.166 1.134 -0.337 1.00 3.01 H new ATOM 0 HG13 ILE A 46 -1.642 0.418 0.150 1.00 3.01 H new ATOM 0 HG21 ILE A 46 -5.115 -1.015 0.089 1.00 73.41 H new ATOM 0 HG22 ILE A 46 -5.324 -0.897 1.853 1.00 73.41 H new ATOM 0 HG23 ILE A 46 -5.243 0.582 0.865 1.00 73.41 H new ATOM 0 HD11 ILE A 46 -2.230 -0.241 -2.131 1.00 64.31 H new ATOM 0 HD12 ILE A 46 -2.216 -1.659 -1.055 1.00 64.31 H new ATOM 0 HD13 ILE A 46 -3.764 -0.932 -1.550 1.00 64.31 H new ATOM 713 N GLU A 47 -4.652 0.496 4.163 1.00 35.02 N ATOM 714 CA GLU A 47 -5.382 0.013 5.330 1.00 5.00 C ATOM 715 C GLU A 47 -6.750 -0.530 4.930 1.00 73.21 C ATOM 716 O GLU A 47 -7.582 0.195 4.385 1.00 34.24 O ATOM 717 CB GLU A 47 -5.546 1.136 6.357 1.00 75.44 C ATOM 718 CG GLU A 47 -4.251 1.863 6.677 1.00 73.23 C ATOM 719 CD GLU A 47 -4.033 2.038 8.167 1.00 33.41 C ATOM 720 OE1 GLU A 47 -5.036 2.125 8.906 1.00 31.45 O ATOM 721 OE2 GLU A 47 -2.861 2.087 8.594 1.00 10.50 O ATOM 0 H GLU A 47 -4.970 1.399 3.810 1.00 35.02 H new ATOM 0 HA GLU A 47 -4.806 -0.797 5.777 1.00 5.00 H new ATOM 0 HB2 GLU A 47 -6.274 1.856 5.982 1.00 75.44 H new ATOM 0 HB3 GLU A 47 -5.955 0.718 7.277 1.00 75.44 H new ATOM 0 HG2 GLU A 47 -3.413 1.309 6.254 1.00 73.23 H new ATOM 0 HG3 GLU A 47 -4.260 2.842 6.198 1.00 73.23 H new ATOM 728 N MET A 48 -6.975 -1.811 5.204 1.00 70.24 N ATOM 729 CA MET A 48 -8.243 -2.452 4.873 1.00 44.12 C ATOM 730 C MET A 48 -9.305 -2.127 5.918 1.00 70.00 C ATOM 731 O MET A 48 -9.043 -1.406 6.881 1.00 54.21 O ATOM 732 CB MET A 48 -8.060 -3.967 4.768 1.00 74.33 C ATOM 733 CG MET A 48 -7.216 -4.397 3.579 1.00 1.11 C ATOM 734 SD MET A 48 -8.182 -5.231 2.306 1.00 52.03 S ATOM 735 CE MET A 48 -8.767 -3.831 1.354 1.00 73.35 C ATOM 0 H MET A 48 -6.296 -2.425 5.654 1.00 70.24 H new ATOM 0 HA MET A 48 -8.577 -2.066 3.910 1.00 44.12 H new ATOM 0 HB2 MET A 48 -7.596 -4.333 5.684 1.00 74.33 H new ATOM 0 HB3 MET A 48 -9.040 -4.439 4.697 1.00 74.33 H new ATOM 0 HG2 MET A 48 -6.732 -3.521 3.147 1.00 1.11 H new ATOM 0 HG3 MET A 48 -6.424 -5.062 3.923 1.00 1.11 H new ATOM 0 HE1 MET A 48 -9.833 -3.690 1.532 1.00 73.35 H new ATOM 0 HE2 MET A 48 -8.227 -2.934 1.657 1.00 73.35 H new ATOM 0 HE3 MET A 48 -8.598 -4.016 0.293 1.00 73.35 H new ATOM 745 N LYS A 49 -10.505 -2.663 5.722 1.00 22.41 N ATOM 746 CA LYS A 49 -11.607 -2.432 6.648 1.00 53.23 C ATOM 747 C LYS A 49 -11.184 -2.729 8.083 1.00 54.02 C ATOM 748 O LYS A 49 -11.247 -1.859 8.952 1.00 24.42 O ATOM 749 CB LYS A 49 -12.809 -3.300 6.269 1.00 53.01 C ATOM 750 CG LYS A 49 -14.148 -2.643 6.555 1.00 35.14 C ATOM 751 CD LYS A 49 -14.347 -1.392 5.716 1.00 3.24 C ATOM 752 CE LYS A 49 -15.313 -1.638 4.568 1.00 71.10 C ATOM 753 NZ LYS A 49 -16.733 -1.552 5.010 1.00 63.43 N ATOM 0 H LYS A 49 -10.739 -3.261 4.929 1.00 22.41 H new ATOM 0 HA LYS A 49 -11.890 -1.381 6.582 1.00 53.23 H new ATOM 0 HB2 LYS A 49 -12.752 -3.542 5.208 1.00 53.01 H new ATOM 0 HB3 LYS A 49 -12.752 -4.242 6.814 1.00 53.01 H new ATOM 0 HG2 LYS A 49 -14.952 -3.350 6.351 1.00 35.14 H new ATOM 0 HG3 LYS A 49 -14.210 -2.386 7.613 1.00 35.14 H new ATOM 0 HD2 LYS A 49 -14.726 -0.587 6.346 1.00 3.24 H new ATOM 0 HD3 LYS A 49 -13.387 -1.062 5.320 1.00 3.24 H new ATOM 0 HE2 LYS A 49 -15.133 -0.908 3.779 1.00 71.10 H new ATOM 0 HE3 LYS A 49 -15.125 -2.622 4.140 1.00 71.10 H new ATOM 0 HZ1 LYS A 49 -17.360 -1.726 4.199 1.00 63.43 H new ATOM 0 HZ2 LYS A 49 -16.912 -2.266 5.745 1.00 63.43 H new ATOM 0 HZ3 LYS A 49 -16.920 -0.604 5.395 1.00 63.43 H new ATOM 767 N LYS A 50 -10.753 -3.962 8.324 1.00 22.23 N ATOM 768 CA LYS A 50 -10.316 -4.374 9.653 1.00 35.21 C ATOM 769 C LYS A 50 -9.910 -5.844 9.661 1.00 75.50 C ATOM 770 O LYS A 50 -8.726 -6.171 9.743 1.00 12.45 O ATOM 771 CB LYS A 50 -11.431 -4.136 10.675 1.00 63.31 C ATOM 772 CG LYS A 50 -11.107 -3.050 11.686 1.00 21.32 C ATOM 773 CD LYS A 50 -12.340 -2.630 12.468 1.00 75.34 C ATOM 774 CE LYS A 50 -12.548 -1.125 12.414 1.00 54.53 C ATOM 775 NZ LYS A 50 -13.529 -0.663 13.435 1.00 75.24 N ATOM 0 H LYS A 50 -10.697 -4.694 7.616 1.00 22.23 H new ATOM 0 HA LYS A 50 -9.447 -3.774 9.925 1.00 35.21 H new ATOM 0 HB2 LYS A 50 -12.346 -3.868 10.146 1.00 63.31 H new ATOM 0 HB3 LYS A 50 -11.631 -5.067 11.206 1.00 63.31 H new ATOM 0 HG2 LYS A 50 -10.343 -3.410 12.375 1.00 21.32 H new ATOM 0 HG3 LYS A 50 -10.690 -2.185 11.171 1.00 21.32 H new ATOM 0 HD2 LYS A 50 -13.218 -3.134 12.064 1.00 75.34 H new ATOM 0 HD3 LYS A 50 -12.240 -2.947 13.506 1.00 75.34 H new ATOM 0 HE2 LYS A 50 -11.595 -0.621 12.572 1.00 54.53 H new ATOM 0 HE3 LYS A 50 -12.897 -0.842 11.421 1.00 54.53 H new ATOM 0 HZ1 LYS A 50 -13.643 0.368 13.365 1.00 75.24 H new ATOM 0 HZ2 LYS A 50 -14.446 -1.124 13.269 1.00 75.24 H new ATOM 0 HZ3 LYS A 50 -13.184 -0.910 14.385 1.00 75.24 H new ATOM 789 N ARG A 51 -10.900 -6.727 9.573 1.00 21.43 N ATOM 790 CA ARG A 51 -10.645 -8.163 9.570 1.00 0.21 C ATOM 791 C ARG A 51 -10.467 -8.680 8.146 1.00 71.24 C ATOM 792 O ARG A 51 -11.017 -9.719 7.777 1.00 51.42 O ATOM 793 CB ARG A 51 -11.792 -8.908 10.255 1.00 12.31 C ATOM 794 CG ARG A 51 -11.349 -10.158 10.997 1.00 14.03 C ATOM 795 CD ARG A 51 -12.396 -11.258 10.910 1.00 40.22 C ATOM 796 NE ARG A 51 -12.927 -11.614 12.223 1.00 40.21 N ATOM 797 CZ ARG A 51 -12.308 -12.429 13.070 1.00 70.05 C ATOM 798 NH1 ARG A 51 -11.142 -12.969 12.742 1.00 33.33 N ATOM 799 NH2 ARG A 51 -12.855 -12.705 14.247 1.00 41.24 N ATOM 0 H ARG A 51 -11.885 -6.473 9.503 1.00 21.43 H new ATOM 0 HA ARG A 51 -9.723 -8.344 10.122 1.00 0.21 H new ATOM 0 HB2 ARG A 51 -12.284 -8.234 10.957 1.00 12.31 H new ATOM 0 HB3 ARG A 51 -12.534 -9.184 9.505 1.00 12.31 H new ATOM 0 HG2 ARG A 51 -10.408 -10.516 10.579 1.00 14.03 H new ATOM 0 HG3 ARG A 51 -11.162 -9.914 12.043 1.00 14.03 H new ATOM 0 HD2 ARG A 51 -13.212 -10.931 10.265 1.00 40.22 H new ATOM 0 HD3 ARG A 51 -11.957 -12.141 10.445 1.00 40.22 H new ATOM 0 HE ARG A 51 -13.822 -11.215 12.505 1.00 40.21 H new ATOM 0 HH11 ARG A 51 -10.719 -12.759 11.838 1.00 33.33 H new ATOM 0 HH12 ARG A 51 -10.668 -13.595 13.394 1.00 33.33 H new ATOM 0 HH21 ARG A 51 -13.752 -12.291 14.502 1.00 41.24 H new ATOM 0 HH22 ARG A 51 -12.379 -13.331 14.896 1.00 41.24 H new ATOM 813 N THR A 52 -9.695 -7.949 7.348 1.00 52.33 N ATOM 814 CA THR A 52 -9.446 -8.332 5.964 1.00 51.12 C ATOM 815 C THR A 52 -8.041 -8.899 5.795 1.00 74.22 C ATOM 816 O THR A 52 -7.050 -8.196 5.991 1.00 31.53 O ATOM 817 CB THR A 52 -9.623 -7.136 5.009 1.00 1.02 C ATOM 818 OG1 THR A 52 -10.482 -6.157 5.604 1.00 74.30 O ATOM 819 CG2 THR A 52 -10.205 -7.587 3.678 1.00 23.52 C ATOM 0 H THR A 52 -9.231 -7.088 7.637 1.00 52.33 H new ATOM 0 HA THR A 52 -10.178 -9.100 5.712 1.00 51.12 H new ATOM 0 HB THR A 52 -8.642 -6.696 4.828 1.00 1.02 H new ATOM 0 HG1 THR A 52 -10.967 -5.677 4.901 1.00 74.30 H new ATOM 0 HG21 THR A 52 -10.321 -6.725 3.021 1.00 23.52 H new ATOM 0 HG22 THR A 52 -9.534 -8.310 3.214 1.00 23.52 H new ATOM 0 HG23 THR A 52 -11.178 -8.050 3.844 1.00 23.52 H new ATOM 827 N SER A 53 -7.963 -10.175 5.428 1.00 14.45 N ATOM 828 CA SER A 53 -6.679 -10.837 5.236 1.00 62.32 C ATOM 829 C SER A 53 -6.038 -10.408 3.919 1.00 11.05 C ATOM 830 O SER A 53 -6.603 -9.608 3.172 1.00 2.23 O ATOM 831 CB SER A 53 -6.857 -12.357 5.258 1.00 45.30 C ATOM 832 OG SER A 53 -8.081 -12.736 4.655 1.00 55.33 O ATOM 0 H SER A 53 -8.774 -10.770 5.258 1.00 14.45 H new ATOM 0 HA SER A 53 -6.021 -10.543 6.053 1.00 62.32 H new ATOM 0 HB2 SER A 53 -6.027 -12.831 4.733 1.00 45.30 H new ATOM 0 HB3 SER A 53 -6.829 -12.715 6.287 1.00 45.30 H new ATOM 0 HG SER A 53 -8.170 -13.712 4.680 1.00 55.33 H new ATOM 838 N LEU A 54 -4.855 -10.945 3.642 1.00 74.32 N ATOM 839 CA LEU A 54 -4.136 -10.619 2.415 1.00 3.15 C ATOM 840 C LEU A 54 -5.022 -10.828 1.192 1.00 61.42 C ATOM 841 O LEU A 54 -4.867 -10.149 0.178 1.00 54.33 O ATOM 842 CB LEU A 54 -2.874 -11.475 2.298 1.00 22.51 C ATOM 843 CG LEU A 54 -1.997 -11.215 1.073 1.00 53.25 C ATOM 844 CD1 LEU A 54 -1.415 -9.811 1.122 1.00 44.12 C ATOM 845 CD2 LEU A 54 -0.888 -12.252 0.980 1.00 5.12 C ATOM 0 H LEU A 54 -4.373 -11.608 4.250 1.00 74.32 H new ATOM 0 HA LEU A 54 -3.852 -9.568 2.458 1.00 3.15 H new ATOM 0 HB2 LEU A 54 -2.270 -11.320 3.192 1.00 22.51 H new ATOM 0 HB3 LEU A 54 -3.170 -12.524 2.292 1.00 22.51 H new ATOM 0 HG LEU A 54 -2.618 -11.298 0.181 1.00 53.25 H new ATOM 0 HD11 LEU A 54 -0.794 -9.644 0.242 1.00 44.12 H new ATOM 0 HD12 LEU A 54 -2.225 -9.082 1.138 1.00 44.12 H new ATOM 0 HD13 LEU A 54 -0.809 -9.700 2.021 1.00 44.12 H new ATOM 0 HD21 LEU A 54 -0.274 -12.051 0.102 1.00 5.12 H new ATOM 0 HD22 LEU A 54 -0.268 -12.203 1.875 1.00 5.12 H new ATOM 0 HD23 LEU A 54 -1.326 -13.247 0.896 1.00 5.12 H new ATOM 857 N ALA A 55 -5.952 -11.772 1.296 1.00 62.23 N ATOM 858 CA ALA A 55 -6.866 -12.068 0.199 1.00 24.13 C ATOM 859 C ALA A 55 -7.583 -10.808 -0.272 1.00 74.14 C ATOM 860 O ALA A 55 -7.924 -10.679 -1.448 1.00 4.24 O ATOM 861 CB ALA A 55 -7.874 -13.125 0.624 1.00 55.01 C ATOM 0 H ALA A 55 -6.092 -12.345 2.128 1.00 62.23 H new ATOM 0 HA ALA A 55 -6.281 -12.455 -0.636 1.00 24.13 H new ATOM 0 HB1 ALA A 55 -8.550 -13.337 -0.204 1.00 55.01 H new ATOM 0 HB2 ALA A 55 -7.348 -14.037 0.905 1.00 55.01 H new ATOM 0 HB3 ALA A 55 -8.447 -12.759 1.476 1.00 55.01 H new ATOM 867 N GLY A 56 -7.812 -9.881 0.653 1.00 44.21 N ATOM 868 CA GLY A 56 -8.489 -8.643 0.312 1.00 62.42 C ATOM 869 C GLY A 56 -7.627 -7.724 -0.530 1.00 4.41 C ATOM 870 O GLY A 56 -8.083 -7.183 -1.537 1.00 34.33 O ATOM 0 H GLY A 56 -7.541 -9.965 1.633 1.00 44.21 H new ATOM 0 HA2 GLY A 56 -9.407 -8.872 -0.229 1.00 62.42 H new ATOM 0 HA3 GLY A 56 -8.779 -8.127 1.227 1.00 62.42 H new ATOM 874 N MET A 57 -6.377 -7.544 -0.116 1.00 4.11 N ATOM 875 CA MET A 57 -5.449 -6.682 -0.839 1.00 62.24 C ATOM 876 C MET A 57 -5.003 -7.337 -2.143 1.00 4.01 C ATOM 877 O MET A 57 -5.035 -6.715 -3.205 1.00 74.31 O ATOM 878 CB MET A 57 -4.230 -6.366 0.029 1.00 1.14 C ATOM 879 CG MET A 57 -4.578 -5.667 1.333 1.00 11.34 C ATOM 880 SD MET A 57 -4.425 -3.874 1.223 1.00 43.45 S ATOM 881 CE MET A 57 -5.808 -3.481 0.155 1.00 15.34 C ATOM 0 H MET A 57 -5.983 -7.983 0.716 1.00 4.11 H new ATOM 0 HA MET A 57 -5.966 -5.753 -1.077 1.00 62.24 H new ATOM 0 HB2 MET A 57 -3.703 -7.294 0.253 1.00 1.14 H new ATOM 0 HB3 MET A 57 -3.543 -5.738 -0.538 1.00 1.14 H new ATOM 0 HG2 MET A 57 -5.599 -5.924 1.617 1.00 11.34 H new ATOM 0 HG3 MET A 57 -3.925 -6.036 2.124 1.00 11.34 H new ATOM 0 HE1 MET A 57 -5.437 -3.173 -0.823 1.00 15.34 H new ATOM 0 HE2 MET A 57 -6.442 -4.360 0.042 1.00 15.34 H new ATOM 0 HE3 MET A 57 -6.388 -2.670 0.595 1.00 15.34 H new ATOM 891 N LYS A 58 -4.585 -8.595 -2.055 1.00 74.41 N ATOM 892 CA LYS A 58 -4.133 -9.336 -3.227 1.00 52.41 C ATOM 893 C LYS A 58 -5.199 -9.332 -4.318 1.00 14.31 C ATOM 894 O LYS A 58 -4.886 -9.396 -5.507 1.00 14.41 O ATOM 895 CB LYS A 58 -3.786 -10.776 -2.844 1.00 12.15 C ATOM 896 CG LYS A 58 -2.586 -11.332 -3.591 1.00 33.04 C ATOM 897 CD LYS A 58 -1.531 -11.863 -2.635 1.00 35.33 C ATOM 898 CE LYS A 58 -1.993 -13.140 -1.949 1.00 31.10 C ATOM 899 NZ LYS A 58 -0.862 -14.077 -1.701 1.00 12.40 N ATOM 0 H LYS A 58 -4.550 -9.123 -1.183 1.00 74.41 H new ATOM 0 HA LYS A 58 -3.240 -8.845 -3.614 1.00 52.41 H new ATOM 0 HB2 LYS A 58 -3.589 -10.821 -1.773 1.00 12.15 H new ATOM 0 HB3 LYS A 58 -4.650 -11.412 -3.036 1.00 12.15 H new ATOM 0 HG2 LYS A 58 -2.910 -12.131 -4.258 1.00 33.04 H new ATOM 0 HG3 LYS A 58 -2.152 -10.552 -4.216 1.00 33.04 H new ATOM 0 HD2 LYS A 58 -0.607 -12.056 -3.181 1.00 35.33 H new ATOM 0 HD3 LYS A 58 -1.305 -11.106 -1.884 1.00 35.33 H new ATOM 0 HE2 LYS A 58 -2.472 -12.891 -1.002 1.00 31.10 H new ATOM 0 HE3 LYS A 58 -2.744 -13.633 -2.566 1.00 31.10 H new ATOM 0 HZ1 LYS A 58 -1.103 -14.710 -0.912 1.00 12.40 H new ATOM 0 HZ2 LYS A 58 -0.685 -14.641 -2.556 1.00 12.40 H new ATOM 0 HZ3 LYS A 58 -0.008 -13.534 -1.461 1.00 12.40 H new ATOM 913 N LYS A 59 -6.460 -9.255 -3.906 1.00 53.20 N ATOM 914 CA LYS A 59 -7.574 -9.239 -4.847 1.00 64.45 C ATOM 915 C LYS A 59 -7.458 -8.060 -5.807 1.00 52.44 C ATOM 916 O LYS A 59 -7.873 -8.144 -6.964 1.00 70.41 O ATOM 917 CB LYS A 59 -8.904 -9.170 -4.095 1.00 12.44 C ATOM 918 CG LYS A 59 -9.630 -10.502 -4.017 1.00 4.33 C ATOM 919 CD LYS A 59 -10.925 -10.386 -3.230 1.00 63.34 C ATOM 920 CE LYS A 59 -11.505 -11.755 -2.908 1.00 3.13 C ATOM 921 NZ LYS A 59 -12.265 -12.320 -4.057 1.00 11.13 N ATOM 0 H LYS A 59 -6.736 -9.203 -2.926 1.00 53.20 H new ATOM 0 HA LYS A 59 -7.540 -10.161 -5.427 1.00 64.45 H new ATOM 0 HB2 LYS A 59 -8.721 -8.806 -3.084 1.00 12.44 H new ATOM 0 HB3 LYS A 59 -9.551 -8.442 -4.584 1.00 12.44 H new ATOM 0 HG2 LYS A 59 -9.846 -10.859 -5.024 1.00 4.33 H new ATOM 0 HG3 LYS A 59 -8.983 -11.243 -3.548 1.00 4.33 H new ATOM 0 HD2 LYS A 59 -10.742 -9.840 -2.304 1.00 63.34 H new ATOM 0 HD3 LYS A 59 -11.650 -9.808 -3.803 1.00 63.34 H new ATOM 0 HE2 LYS A 59 -10.699 -12.436 -2.636 1.00 3.13 H new ATOM 0 HE3 LYS A 59 -12.162 -11.676 -2.042 1.00 3.13 H new ATOM 0 HZ1 LYS A 59 -12.644 -13.253 -3.797 1.00 11.13 H new ATOM 0 HZ2 LYS A 59 -13.050 -11.683 -4.301 1.00 11.13 H new ATOM 0 HZ3 LYS A 59 -11.632 -12.419 -4.877 1.00 11.13 H new ATOM 935 N LEU A 60 -6.891 -6.961 -5.322 1.00 13.15 N ATOM 936 CA LEU A 60 -6.720 -5.764 -6.137 1.00 44.33 C ATOM 937 C LEU A 60 -5.500 -5.893 -7.045 1.00 35.33 C ATOM 938 O LEU A 60 -5.527 -5.469 -8.200 1.00 61.04 O ATOM 939 CB LEU A 60 -6.576 -4.530 -5.244 1.00 60.20 C ATOM 940 CG LEU A 60 -7.853 -4.048 -4.555 1.00 70.11 C ATOM 941 CD1 LEU A 60 -8.218 -4.969 -3.401 1.00 65.32 C ATOM 942 CD2 LEU A 60 -7.687 -2.617 -4.065 1.00 50.13 C ATOM 0 H LEU A 60 -6.542 -6.874 -4.368 1.00 13.15 H new ATOM 0 HA LEU A 60 -7.606 -5.651 -6.762 1.00 44.33 H new ATOM 0 HB2 LEU A 60 -5.832 -4.746 -4.477 1.00 60.20 H new ATOM 0 HB3 LEU A 60 -6.182 -3.713 -5.848 1.00 60.20 H new ATOM 0 HG LEU A 60 -8.665 -4.071 -5.282 1.00 70.11 H new ATOM 0 HD11 LEU A 60 -9.129 -4.610 -2.923 1.00 65.32 H new ATOM 0 HD12 LEU A 60 -8.380 -5.979 -3.778 1.00 65.32 H new ATOM 0 HD13 LEU A 60 -7.407 -4.980 -2.673 1.00 65.32 H new ATOM 0 HD21 LEU A 60 -8.606 -2.291 -3.577 1.00 50.13 H new ATOM 0 HD22 LEU A 60 -6.862 -2.569 -3.354 1.00 50.13 H new ATOM 0 HD23 LEU A 60 -7.474 -1.965 -4.912 1.00 50.13 H new ATOM 954 N ILE A 61 -4.435 -6.484 -6.514 1.00 43.53 N ATOM 955 CA ILE A 61 -3.207 -6.672 -7.278 1.00 13.24 C ATOM 956 C ILE A 61 -2.567 -8.020 -6.966 1.00 35.42 C ATOM 957 O ILE A 61 -1.589 -8.115 -6.225 1.00 2.42 O ATOM 958 CB ILE A 61 -2.188 -5.554 -6.990 1.00 11.25 C ATOM 959 CG1 ILE A 61 -2.839 -4.181 -7.170 1.00 35.14 C ATOM 960 CG2 ILE A 61 -0.976 -5.694 -7.899 1.00 34.53 C ATOM 961 CD1 ILE A 61 -3.482 -3.647 -5.909 1.00 31.03 C ATOM 0 H ILE A 61 -4.397 -6.841 -5.559 1.00 43.53 H new ATOM 0 HA ILE A 61 -3.483 -6.638 -8.332 1.00 13.24 H new ATOM 0 HB ILE A 61 -1.855 -5.645 -5.956 1.00 11.25 H new ATOM 0 HG12 ILE A 61 -2.085 -3.472 -7.512 1.00 35.14 H new ATOM 0 HG13 ILE A 61 -3.594 -4.246 -7.954 1.00 35.14 H new ATOM 0 HG21 ILE A 61 -0.265 -4.896 -7.683 1.00 34.53 H new ATOM 0 HG22 ILE A 61 -0.501 -6.660 -7.726 1.00 34.53 H new ATOM 0 HG23 ILE A 61 -1.292 -5.626 -8.940 1.00 34.53 H new ATOM 0 HD11 ILE A 61 -3.923 -2.671 -6.111 1.00 31.03 H new ATOM 0 HD12 ILE A 61 -4.260 -4.335 -5.578 1.00 31.03 H new ATOM 0 HD13 ILE A 61 -2.727 -3.550 -5.129 1.00 31.03 H new ATOM 973 N PRO A 62 -3.131 -9.091 -7.546 1.00 2.25 N ATOM 974 CA PRO A 62 -2.630 -10.454 -7.346 1.00 72.13 C ATOM 975 C PRO A 62 -1.279 -10.679 -8.017 1.00 35.40 C ATOM 976 O PRO A 62 -1.184 -10.728 -9.243 1.00 14.24 O ATOM 977 CB PRO A 62 -3.705 -11.326 -8.001 1.00 44.34 C ATOM 978 CG PRO A 62 -4.343 -10.441 -9.016 1.00 34.13 C ATOM 979 CD PRO A 62 -4.299 -9.052 -8.441 1.00 35.44 C ATOM 0 HA PRO A 62 -2.464 -10.677 -6.292 1.00 72.13 H new ATOM 0 HB2 PRO A 62 -3.269 -12.211 -8.465 1.00 44.34 H new ATOM 0 HB3 PRO A 62 -4.432 -11.676 -7.268 1.00 44.34 H new ATOM 0 HG2 PRO A 62 -3.809 -10.488 -9.965 1.00 34.13 H new ATOM 0 HG3 PRO A 62 -5.370 -10.750 -9.213 1.00 34.13 H new ATOM 0 HD2 PRO A 62 -4.184 -8.298 -9.220 1.00 35.44 H new ATOM 0 HD3 PRO A 62 -5.213 -8.812 -7.898 1.00 35.44 H new ATOM 987 N GLY A 63 -0.236 -10.817 -7.205 1.00 21.25 N ATOM 988 CA GLY A 63 1.096 -11.036 -7.738 1.00 72.21 C ATOM 989 C GLY A 63 2.149 -10.214 -7.023 1.00 43.52 C ATOM 990 O GLY A 63 3.265 -10.682 -6.798 1.00 13.12 O ATOM 0 H GLY A 63 -0.289 -10.781 -6.187 1.00 21.25 H new ATOM 0 HA2 GLY A 63 1.347 -12.093 -7.656 1.00 72.21 H new ATOM 0 HA3 GLY A 63 1.105 -10.788 -8.799 1.00 72.21 H new ATOM 994 N ALA A 64 1.796 -8.983 -6.667 1.00 51.12 N ATOM 995 CA ALA A 64 2.719 -8.094 -5.973 1.00 41.54 C ATOM 996 C ALA A 64 3.149 -8.684 -4.635 1.00 30.21 C ATOM 997 O ALA A 64 2.560 -9.653 -4.155 1.00 22.43 O ATOM 998 CB ALA A 64 2.082 -6.727 -5.769 1.00 43.23 C ATOM 0 H ALA A 64 0.877 -8.579 -6.848 1.00 51.12 H new ATOM 0 HA ALA A 64 3.609 -7.980 -6.592 1.00 41.54 H new ATOM 0 HB1 ALA A 64 2.782 -6.073 -5.249 1.00 43.23 H new ATOM 0 HB2 ALA A 64 1.832 -6.294 -6.737 1.00 43.23 H new ATOM 0 HB3 ALA A 64 1.175 -6.833 -5.174 1.00 43.23 H new ATOM 1004 N HIS A 65 4.179 -8.095 -4.037 1.00 5.22 N ATOM 1005 CA HIS A 65 4.688 -8.563 -2.753 1.00 23.44 C ATOM 1006 C HIS A 65 4.068 -7.776 -1.602 1.00 72.24 C ATOM 1007 O HIS A 65 4.278 -6.569 -1.478 1.00 74.32 O ATOM 1008 CB HIS A 65 6.212 -8.439 -2.708 1.00 34.23 C ATOM 1009 CG HIS A 65 6.854 -9.314 -1.676 1.00 33.24 C ATOM 1010 ND1 HIS A 65 7.470 -10.509 -1.980 1.00 62.43 N ATOM 1011 CD2 HIS A 65 6.974 -9.161 -0.336 1.00 64.12 C ATOM 1012 CE1 HIS A 65 7.941 -11.054 -0.873 1.00 32.52 C ATOM 1013 NE2 HIS A 65 7.653 -10.256 0.139 1.00 5.13 N ATOM 0 H HIS A 65 4.678 -7.292 -4.421 1.00 5.22 H new ATOM 0 HA HIS A 65 4.413 -9.612 -2.642 1.00 23.44 H new ATOM 0 HB2 HIS A 65 6.618 -8.690 -3.688 1.00 34.23 H new ATOM 0 HB3 HIS A 65 6.478 -7.401 -2.509 1.00 34.23 H new ATOM 0 HD2 HIS A 65 6.605 -8.332 0.250 1.00 64.12 H new ATOM 0 HE1 HIS A 65 8.471 -11.992 -0.807 1.00 32.52 H new ATOM 0 HE2 HIS A 65 7.896 -10.425 1.115 1.00 5.13 H new ATOM 1021 N PHE A 66 3.302 -8.467 -0.764 1.00 25.00 N ATOM 1022 CA PHE A 66 2.650 -7.832 0.375 1.00 32.21 C ATOM 1023 C PHE A 66 3.260 -8.312 1.689 1.00 61.34 C ATOM 1024 O PHE A 66 3.882 -9.373 1.745 1.00 52.45 O ATOM 1025 CB PHE A 66 1.149 -8.127 0.359 1.00 35.23 C ATOM 1026 CG PHE A 66 0.335 -7.060 -0.316 1.00 60.41 C ATOM 1027 CD1 PHE A 66 0.276 -6.987 -1.698 1.00 51.53 C ATOM 1028 CD2 PHE A 66 -0.370 -6.131 0.432 1.00 51.05 C ATOM 1029 CE1 PHE A 66 -0.472 -6.006 -2.323 1.00 70.30 C ATOM 1030 CE2 PHE A 66 -1.120 -5.149 -0.188 1.00 10.15 C ATOM 1031 CZ PHE A 66 -1.170 -5.086 -1.566 1.00 51.44 C ATOM 0 H PHE A 66 3.118 -9.466 -0.852 1.00 25.00 H new ATOM 0 HA PHE A 66 2.803 -6.756 0.296 1.00 32.21 H new ATOM 0 HB2 PHE A 66 0.979 -9.077 -0.147 1.00 35.23 H new ATOM 0 HB3 PHE A 66 0.799 -8.245 1.385 1.00 35.23 H new ATOM 0 HD1 PHE A 66 0.820 -7.704 -2.294 1.00 51.53 H new ATOM 0 HD2 PHE A 66 -0.333 -6.174 1.511 1.00 51.05 H new ATOM 0 HE1 PHE A 66 -0.510 -5.960 -3.401 1.00 70.30 H new ATOM 0 HE2 PHE A 66 -1.667 -4.431 0.406 1.00 10.15 H new ATOM 0 HZ PHE A 66 -1.754 -4.318 -2.051 1.00 51.44 H new ATOM 1041 N GLU A 67 3.078 -7.523 2.743 1.00 54.14 N ATOM 1042 CA GLU A 67 3.612 -7.867 4.055 1.00 15.32 C ATOM 1043 C GLU A 67 2.789 -7.217 5.164 1.00 33.44 C ATOM 1044 O GLU A 67 2.780 -5.995 5.313 1.00 25.21 O ATOM 1045 CB GLU A 67 5.073 -7.429 4.167 1.00 43.45 C ATOM 1046 CG GLU A 67 6.056 -8.587 4.182 1.00 64.14 C ATOM 1047 CD GLU A 67 7.486 -8.143 3.939 1.00 13.52 C ATOM 1048 OE1 GLU A 67 7.678 -7.088 3.298 1.00 14.23 O ATOM 1049 OE2 GLU A 67 8.412 -8.849 4.389 1.00 12.35 O ATOM 0 H GLU A 67 2.565 -6.642 2.714 1.00 54.14 H new ATOM 0 HA GLU A 67 3.555 -8.949 4.169 1.00 15.32 H new ATOM 0 HB2 GLU A 67 5.312 -6.772 3.331 1.00 43.45 H new ATOM 0 HB3 GLU A 67 5.199 -6.844 5.078 1.00 43.45 H new ATOM 0 HG2 GLU A 67 5.996 -9.097 5.144 1.00 64.14 H new ATOM 0 HG3 GLU A 67 5.770 -9.311 3.419 1.00 64.14 H new ATOM 1056 N LYS A 68 2.097 -8.044 5.941 1.00 73.22 N ATOM 1057 CA LYS A 68 1.271 -7.553 7.037 1.00 34.34 C ATOM 1058 C LYS A 68 1.788 -8.063 8.379 1.00 73.12 C ATOM 1059 O LYS A 68 1.058 -8.079 9.370 1.00 3.24 O ATOM 1060 CB LYS A 68 -0.184 -7.987 6.841 1.00 21.12 C ATOM 1061 CG LYS A 68 -1.163 -7.257 7.744 1.00 33.52 C ATOM 1062 CD LYS A 68 -2.194 -8.207 8.331 1.00 54.10 C ATOM 1063 CE LYS A 68 -3.361 -7.451 8.947 1.00 15.40 C ATOM 1064 NZ LYS A 68 -3.049 -6.974 10.323 1.00 74.30 N ATOM 0 H LYS A 68 2.092 -9.058 5.831 1.00 73.22 H new ATOM 0 HA LYS A 68 1.322 -6.464 7.038 1.00 34.34 H new ATOM 0 HB2 LYS A 68 -0.467 -7.820 5.802 1.00 21.12 H new ATOM 0 HB3 LYS A 68 -0.263 -9.059 7.025 1.00 21.12 H new ATOM 0 HG2 LYS A 68 -0.619 -6.766 8.550 1.00 33.52 H new ATOM 0 HG3 LYS A 68 -1.668 -6.475 7.178 1.00 33.52 H new ATOM 0 HD2 LYS A 68 -2.562 -8.874 7.551 1.00 54.10 H new ATOM 0 HD3 LYS A 68 -1.724 -8.833 9.089 1.00 54.10 H new ATOM 0 HE2 LYS A 68 -3.615 -6.599 8.316 1.00 15.40 H new ATOM 0 HE3 LYS A 68 -4.238 -8.098 8.977 1.00 15.40 H new ATOM 0 HZ1 LYS A 68 -3.869 -6.464 10.708 1.00 74.30 H new ATOM 0 HZ2 LYS A 68 -2.831 -7.789 10.932 1.00 74.30 H new ATOM 0 HZ3 LYS A 68 -2.228 -6.336 10.292 1.00 74.30 H new ATOM 1078 N ARG A 69 3.050 -8.478 8.402 1.00 1.12 N ATOM 1079 CA ARG A 69 3.664 -8.988 9.622 1.00 3.31 C ATOM 1080 C ARG A 69 4.027 -7.845 10.567 1.00 62.55 C ATOM 1081 O ARG A 69 4.547 -8.072 11.659 1.00 11.24 O ATOM 1082 CB ARG A 69 4.914 -9.803 9.287 1.00 65.22 C ATOM 1083 CG ARG A 69 4.681 -11.305 9.291 1.00 22.11 C ATOM 1084 CD ARG A 69 4.266 -11.808 7.918 1.00 71.34 C ATOM 1085 NE ARG A 69 5.088 -12.931 7.475 1.00 73.44 N ATOM 1086 CZ ARG A 69 5.131 -13.359 6.218 1.00 63.42 C ATOM 1087 NH1 ARG A 69 4.404 -12.761 5.285 1.00 42.04 N ATOM 1088 NH2 ARG A 69 5.904 -14.388 5.892 1.00 11.04 N ATOM 0 H ARG A 69 3.667 -8.471 7.590 1.00 1.12 H new ATOM 0 HA ARG A 69 2.941 -9.633 10.121 1.00 3.31 H new ATOM 0 HB2 ARG A 69 5.280 -9.503 8.305 1.00 65.22 H new ATOM 0 HB3 ARG A 69 5.697 -9.563 10.006 1.00 65.22 H new ATOM 0 HG2 ARG A 69 5.591 -11.815 9.606 1.00 22.11 H new ATOM 0 HG3 ARG A 69 3.909 -11.552 10.019 1.00 22.11 H new ATOM 0 HD2 ARG A 69 3.220 -12.113 7.945 1.00 71.34 H new ATOM 0 HD3 ARG A 69 4.343 -10.995 7.196 1.00 71.34 H new ATOM 0 HE ARG A 69 5.660 -13.413 8.168 1.00 73.44 H new ATOM 0 HH11 ARG A 69 3.809 -11.970 5.531 1.00 42.04 H new ATOM 0 HH12 ARG A 69 4.439 -13.092 4.321 1.00 42.04 H new ATOM 0 HH21 ARG A 69 6.465 -14.851 6.607 1.00 11.04 H new ATOM 0 HH22 ARG A 69 5.936 -14.716 4.927 1.00 11.04 H new ATOM 1102 N ARG A 70 3.750 -6.619 10.137 1.00 43.31 N ATOM 1103 CA ARG A 70 4.049 -5.441 10.943 1.00 62.21 C ATOM 1104 C ARG A 70 5.556 -5.235 11.067 1.00 61.51 C ATOM 1105 O ARG A 70 6.083 -5.074 12.167 1.00 75.00 O ATOM 1106 CB ARG A 70 3.426 -5.577 12.334 1.00 63.35 C ATOM 1107 CG ARG A 70 3.128 -4.244 13.000 1.00 21.43 C ATOM 1108 CD ARG A 70 2.843 -4.415 14.484 1.00 31.32 C ATOM 1109 NE ARG A 70 4.070 -4.527 15.268 1.00 21.41 N ATOM 1110 CZ ARG A 70 4.091 -4.603 16.594 1.00 32.21 C ATOM 1111 NH1 ARG A 70 2.957 -4.579 17.281 1.00 73.54 N ATOM 1112 NH2 ARG A 70 5.248 -4.703 17.236 1.00 33.41 N ATOM 0 H ARG A 70 3.319 -6.415 9.235 1.00 43.31 H new ATOM 0 HA ARG A 70 3.621 -4.572 10.444 1.00 62.21 H new ATOM 0 HB2 ARG A 70 2.501 -6.149 12.255 1.00 63.35 H new ATOM 0 HB3 ARG A 70 4.101 -6.149 12.971 1.00 63.35 H new ATOM 0 HG2 ARG A 70 3.975 -3.571 12.866 1.00 21.43 H new ATOM 0 HG3 ARG A 70 2.271 -3.777 12.515 1.00 21.43 H new ATOM 0 HD2 ARG A 70 2.261 -3.566 14.841 1.00 31.32 H new ATOM 0 HD3 ARG A 70 2.233 -5.306 14.636 1.00 31.32 H new ATOM 0 HE ARG A 70 4.960 -4.548 14.770 1.00 21.41 H new ATOM 0 HH11 ARG A 70 2.066 -4.502 16.791 1.00 73.54 H new ATOM 0 HH12 ARG A 70 2.976 -4.638 18.299 1.00 73.54 H new ATOM 0 HH21 ARG A 70 6.122 -4.722 16.711 1.00 33.41 H new ATOM 0 HH22 ARG A 70 5.263 -4.761 18.254 1.00 33.41 H new ATOM 1126 N GLY A 71 6.245 -5.243 9.930 1.00 70.15 N ATOM 1127 CA GLY A 71 7.684 -5.057 9.933 1.00 62.23 C ATOM 1128 C GLY A 71 8.084 -3.631 10.253 1.00 12.41 C ATOM 1129 O GLY A 71 9.248 -3.354 10.546 1.00 34.02 O ATOM 0 H GLY A 71 5.832 -5.375 9.007 1.00 70.15 H new ATOM 0 HA2 GLY A 71 8.133 -5.730 10.664 1.00 62.23 H new ATOM 0 HA3 GLY A 71 8.085 -5.333 8.958 1.00 62.23 H new ATOM 1133 N THR A 72 7.117 -2.720 10.196 1.00 1.31 N ATOM 1134 CA THR A 72 7.374 -1.313 10.480 1.00 62.55 C ATOM 1135 C THR A 72 6.163 -0.653 11.127 1.00 54.42 C ATOM 1136 O THR A 72 6.079 0.573 11.201 1.00 41.05 O ATOM 1137 CB THR A 72 7.744 -0.541 9.199 1.00 15.33 C ATOM 1138 OG1 THR A 72 8.047 0.822 9.520 1.00 73.44 O ATOM 1139 CG2 THR A 72 6.605 -0.589 8.191 1.00 45.30 C ATOM 0 H THR A 72 6.149 -2.932 9.956 1.00 1.31 H new ATOM 0 HA THR A 72 8.215 -1.278 11.172 1.00 62.55 H new ATOM 0 HB THR A 72 8.621 -1.013 8.756 1.00 15.33 H new ATOM 0 HG1 THR A 72 7.366 1.173 10.131 1.00 73.44 H new ATOM 0 HG21 THR A 72 6.889 -0.037 7.295 1.00 45.30 H new ATOM 0 HG22 THR A 72 6.395 -1.626 7.928 1.00 45.30 H new ATOM 0 HG23 THR A 72 5.714 -0.138 8.627 1.00 45.30 H new ATOM 1147 N GLN A 73 5.227 -1.472 11.595 1.00 73.24 N ATOM 1148 CA GLN A 73 4.019 -0.965 12.236 1.00 63.31 C ATOM 1149 C GLN A 73 3.392 0.152 11.409 1.00 11.32 C ATOM 1150 O GLN A 73 3.710 0.321 10.233 1.00 51.42 O ATOM 1151 CB GLN A 73 4.339 -0.457 13.643 1.00 74.30 C ATOM 1152 CG GLN A 73 5.215 -1.404 14.447 1.00 35.24 C ATOM 1153 CD GLN A 73 6.597 -0.840 14.708 1.00 22.15 C ATOM 1154 OE1 GLN A 73 7.543 -1.119 13.971 1.00 3.41 O ATOM 1155 NE2 GLN A 73 6.722 -0.042 15.762 1.00 10.22 N ATOM 0 H GLN A 73 5.282 -2.489 11.543 1.00 73.24 H new ATOM 0 HA GLN A 73 3.304 -1.784 12.307 1.00 63.31 H new ATOM 0 HB2 GLN A 73 4.838 0.509 13.567 1.00 74.30 H new ATOM 0 HB3 GLN A 73 3.406 -0.293 14.182 1.00 74.30 H new ATOM 0 HG2 GLN A 73 4.730 -1.622 15.399 1.00 35.24 H new ATOM 0 HG3 GLN A 73 5.308 -2.349 13.912 1.00 35.24 H new ATOM 0 HE21 GLN A 73 5.911 0.162 16.346 1.00 10.22 H new ATOM 0 HE22 GLN A 73 7.629 0.367 15.988 1.00 10.22 H new ATOM 1164 N GLY A 74 2.498 0.913 12.033 1.00 11.34 N ATOM 1165 CA GLY A 74 1.840 2.005 11.340 1.00 74.12 C ATOM 1166 C GLY A 74 2.722 3.232 11.220 1.00 32.24 C ATOM 1167 O GLY A 74 2.383 4.181 10.514 1.00 61.41 O ATOM 0 H GLY A 74 2.218 0.793 13.006 1.00 11.34 H new ATOM 0 HA2 GLY A 74 1.546 1.674 10.344 1.00 74.12 H new ATOM 0 HA3 GLY A 74 0.926 2.269 11.871 1.00 74.12 H new ATOM 1171 N GLU A 75 3.856 3.214 11.914 1.00 35.54 N ATOM 1172 CA GLU A 75 4.787 4.335 11.884 1.00 21.01 C ATOM 1173 C GLU A 75 5.252 4.618 10.458 1.00 33.13 C ATOM 1174 O GLU A 75 5.645 5.738 10.133 1.00 33.21 O ATOM 1175 CB GLU A 75 5.995 4.048 12.778 1.00 20.42 C ATOM 1176 CG GLU A 75 7.139 3.358 12.053 1.00 35.14 C ATOM 1177 CD GLU A 75 7.968 2.483 12.972 1.00 23.54 C ATOM 1178 OE1 GLU A 75 7.382 1.831 13.861 1.00 14.05 O ATOM 1179 OE2 GLU A 75 9.205 2.449 12.802 1.00 41.22 O ATOM 0 H GLU A 75 4.151 2.436 12.503 1.00 35.54 H new ATOM 0 HA GLU A 75 4.267 5.216 12.260 1.00 21.01 H new ATOM 0 HB2 GLU A 75 6.356 4.986 13.199 1.00 20.42 H new ATOM 0 HB3 GLU A 75 5.678 3.425 13.614 1.00 20.42 H new ATOM 0 HG2 GLU A 75 6.737 2.749 11.243 1.00 35.14 H new ATOM 0 HG3 GLU A 75 7.782 4.111 11.597 1.00 35.14 H new ATOM 1186 N ALA A 76 5.204 3.594 9.613 1.00 71.15 N ATOM 1187 CA ALA A 76 5.618 3.732 8.222 1.00 61.12 C ATOM 1188 C ALA A 76 4.730 4.725 7.480 1.00 33.13 C ATOM 1189 O ALA A 76 5.065 5.174 6.384 1.00 3.54 O ATOM 1190 CB ALA A 76 5.594 2.378 7.527 1.00 2.43 C ATOM 0 H ALA A 76 4.883 2.660 9.867 1.00 71.15 H new ATOM 0 HA ALA A 76 6.638 4.117 8.209 1.00 61.12 H new ATOM 0 HB1 ALA A 76 5.905 2.496 6.489 1.00 2.43 H new ATOM 0 HB2 ALA A 76 6.276 1.696 8.035 1.00 2.43 H new ATOM 0 HB3 ALA A 76 4.583 1.971 7.558 1.00 2.43 H new ATOM 1196 N ARG A 77 3.595 5.062 8.084 1.00 0.44 N ATOM 1197 CA ARG A 77 2.657 6.001 7.480 1.00 64.03 C ATOM 1198 C ARG A 77 3.179 7.431 7.580 1.00 44.33 C ATOM 1199 O ARG A 77 2.619 8.350 6.983 1.00 12.22 O ATOM 1200 CB ARG A 77 1.290 5.897 8.158 1.00 41.11 C ATOM 1201 CG ARG A 77 0.553 4.605 7.847 1.00 74.11 C ATOM 1202 CD ARG A 77 -0.885 4.871 7.427 1.00 23.04 C ATOM 1203 NE ARG A 77 -1.791 4.905 8.572 1.00 75.42 N ATOM 1204 CZ ARG A 77 -3.113 4.979 8.460 1.00 30.02 C ATOM 1205 NH1 ARG A 77 -3.679 5.027 7.262 1.00 21.11 N ATOM 1206 NH2 ARG A 77 -3.872 5.005 9.549 1.00 45.13 N ATOM 0 H ARG A 77 3.303 4.699 8.991 1.00 0.44 H new ATOM 0 HA ARG A 77 2.552 5.744 6.426 1.00 64.03 H new ATOM 0 HB2 ARG A 77 1.422 5.980 9.237 1.00 41.11 H new ATOM 0 HB3 ARG A 77 0.674 6.741 7.847 1.00 41.11 H new ATOM 0 HG2 ARG A 77 1.073 4.071 7.052 1.00 74.11 H new ATOM 0 HG3 ARG A 77 0.563 3.959 8.725 1.00 74.11 H new ATOM 0 HD2 ARG A 77 -0.938 5.821 6.895 1.00 23.04 H new ATOM 0 HD3 ARG A 77 -1.209 4.097 6.731 1.00 23.04 H new ATOM 0 HE ARG A 77 -1.387 4.870 9.508 1.00 75.42 H new ATOM 0 HH11 ARG A 77 -3.099 5.007 6.423 1.00 21.11 H new ATOM 0 HH12 ARG A 77 -4.694 5.084 7.179 1.00 21.11 H new ATOM 0 HH21 ARG A 77 -3.440 4.968 10.472 1.00 45.13 H new ATOM 0 HH22 ARG A 77 -4.887 5.062 9.462 1.00 45.13 H new ATOM 1220 N ALA A 78 4.256 7.611 8.338 1.00 14.34 N ATOM 1221 CA ALA A 78 4.854 8.929 8.515 1.00 31.34 C ATOM 1222 C ALA A 78 5.974 9.163 7.507 1.00 55.10 C ATOM 1223 O ALA A 78 5.913 10.094 6.703 1.00 24.22 O ATOM 1224 CB ALA A 78 5.379 9.084 9.935 1.00 33.41 C ATOM 0 H ALA A 78 4.732 6.861 8.839 1.00 14.34 H new ATOM 0 HA ALA A 78 4.081 9.678 8.341 1.00 31.34 H new ATOM 0 HB1 ALA A 78 5.823 10.073 10.053 1.00 33.41 H new ATOM 0 HB2 ALA A 78 4.557 8.969 10.641 1.00 33.41 H new ATOM 0 HB3 ALA A 78 6.134 8.322 10.129 1.00 33.41 H new ATOM 1230 N TYR A 79 6.994 8.314 7.555 1.00 10.23 N ATOM 1231 CA TYR A 79 8.129 8.431 6.648 1.00 42.22 C ATOM 1232 C TYR A 79 7.677 8.332 5.194 1.00 21.31 C ATOM 1233 O TYR A 79 8.283 8.925 4.302 1.00 60.02 O ATOM 1234 CB TYR A 79 9.163 7.344 6.948 1.00 51.34 C ATOM 1235 CG TYR A 79 9.015 6.113 6.083 1.00 70.03 C ATOM 1236 CD1 TYR A 79 7.942 5.246 6.251 1.00 44.21 C ATOM 1237 CD2 TYR A 79 9.948 5.817 5.096 1.00 11.03 C ATOM 1238 CE1 TYR A 79 7.804 4.120 5.463 1.00 31.34 C ATOM 1239 CE2 TYR A 79 9.817 4.694 4.303 1.00 33.40 C ATOM 1240 CZ TYR A 79 8.743 3.848 4.491 1.00 64.22 C ATOM 1241 OH TYR A 79 8.608 2.728 3.703 1.00 23.53 O ATOM 0 H TYR A 79 7.058 7.537 8.213 1.00 10.23 H new ATOM 0 HA TYR A 79 8.585 9.409 6.802 1.00 42.22 H new ATOM 0 HB2 TYR A 79 10.162 7.757 6.810 1.00 51.34 H new ATOM 0 HB3 TYR A 79 9.080 7.054 7.995 1.00 51.34 H new ATOM 0 HD1 TYR A 79 7.204 5.456 7.011 1.00 44.21 H new ATOM 0 HD2 TYR A 79 10.790 6.477 4.947 1.00 11.03 H new ATOM 0 HE1 TYR A 79 6.965 3.456 5.608 1.00 31.34 H new ATOM 0 HE2 TYR A 79 10.551 4.479 3.540 1.00 33.40 H new ATOM 0 HH TYR A 79 9.353 2.683 3.067 1.00 23.53 H new ATOM 1251 N SER A 80 6.607 7.577 4.964 1.00 2.23 N ATOM 1252 CA SER A 80 6.074 7.396 3.619 1.00 0.32 C ATOM 1253 C SER A 80 7.202 7.242 2.604 1.00 62.31 C ATOM 1254 O SER A 80 7.616 8.210 1.967 1.00 13.11 O ATOM 1255 CB SER A 80 5.187 8.582 3.236 1.00 55.02 C ATOM 1256 OG SER A 80 5.944 9.776 3.141 1.00 52.05 O ATOM 0 H SER A 80 6.092 7.081 5.692 1.00 2.23 H new ATOM 0 HA SER A 80 5.475 6.485 3.611 1.00 0.32 H new ATOM 0 HB2 SER A 80 4.698 8.381 2.283 1.00 55.02 H new ATOM 0 HB3 SER A 80 4.399 8.706 3.979 1.00 55.02 H new ATOM 0 HG SER A 80 6.875 9.557 2.928 1.00 52.05 H new ATOM 1262 N MET A 81 7.696 6.016 2.459 1.00 14.11 N ATOM 1263 CA MET A 81 8.775 5.733 1.521 1.00 43.44 C ATOM 1264 C MET A 81 9.988 6.613 1.806 1.00 24.04 C ATOM 1265 O MET A 81 9.966 7.442 2.716 1.00 4.32 O ATOM 1266 CB MET A 81 8.300 5.951 0.083 1.00 42.22 C ATOM 1267 CG MET A 81 7.712 4.705 -0.558 1.00 73.12 C ATOM 1268 SD MET A 81 6.272 4.081 0.329 1.00 15.35 S ATOM 1269 CE MET A 81 5.191 5.508 0.266 1.00 12.24 C ATOM 0 H MET A 81 7.366 5.203 2.979 1.00 14.11 H new ATOM 0 HA MET A 81 9.067 4.690 1.646 1.00 43.44 H new ATOM 0 HB2 MET A 81 7.551 6.743 0.073 1.00 42.22 H new ATOM 0 HB3 MET A 81 9.139 6.298 -0.520 1.00 42.22 H new ATOM 0 HG2 MET A 81 7.431 4.929 -1.587 1.00 73.12 H new ATOM 0 HG3 MET A 81 8.475 3.927 -0.598 1.00 73.12 H new ATOM 0 HE1 MET A 81 4.170 5.182 0.067 1.00 12.24 H new ATOM 0 HE2 MET A 81 5.225 6.033 1.221 1.00 12.24 H new ATOM 0 HE3 MET A 81 5.519 6.179 -0.528 1.00 12.24 H new ATOM 1279 N LYS A 82 11.046 6.427 1.024 1.00 21.32 N ATOM 1280 CA LYS A 82 12.269 7.203 1.192 1.00 13.40 C ATOM 1281 C LYS A 82 12.441 8.200 0.050 1.00 23.21 C ATOM 1282 O LYS A 82 12.475 7.817 -1.119 1.00 3.31 O ATOM 1283 CB LYS A 82 13.483 6.274 1.260 1.00 74.12 C ATOM 1284 CG LYS A 82 14.599 6.795 2.148 1.00 11.22 C ATOM 1285 CD LYS A 82 15.694 5.759 2.333 1.00 23.54 C ATOM 1286 CE LYS A 82 17.057 6.412 2.504 1.00 0.13 C ATOM 1287 NZ LYS A 82 17.280 6.871 3.903 1.00 5.12 N ATOM 0 H LYS A 82 11.081 5.745 0.267 1.00 21.32 H new ATOM 0 HA LYS A 82 12.192 7.758 2.127 1.00 13.40 H new ATOM 0 HB2 LYS A 82 13.163 5.299 1.627 1.00 74.12 H new ATOM 0 HB3 LYS A 82 13.872 6.124 0.253 1.00 74.12 H new ATOM 0 HG2 LYS A 82 15.022 7.699 1.709 1.00 11.22 H new ATOM 0 HG3 LYS A 82 14.192 7.073 3.120 1.00 11.22 H new ATOM 0 HD2 LYS A 82 15.472 5.145 3.206 1.00 23.54 H new ATOM 0 HD3 LYS A 82 15.715 5.092 1.471 1.00 23.54 H new ATOM 0 HE2 LYS A 82 17.837 5.703 2.226 1.00 0.13 H new ATOM 0 HE3 LYS A 82 17.141 7.261 1.825 1.00 0.13 H new ATOM 0 HZ1 LYS A 82 18.220 7.310 3.979 1.00 5.12 H new ATOM 0 HZ2 LYS A 82 16.551 7.566 4.161 1.00 5.12 H new ATOM 0 HZ3 LYS A 82 17.225 6.057 4.548 1.00 5.12 H new ATOM 1301 N GLU A 83 12.551 9.478 0.398 1.00 50.34 N ATOM 1302 CA GLU A 83 12.721 10.528 -0.600 1.00 11.44 C ATOM 1303 C GLU A 83 13.920 10.237 -1.497 1.00 41.33 C ATOM 1304 O GLU A 83 13.919 10.574 -2.681 1.00 41.54 O ATOM 1305 CB GLU A 83 12.898 11.886 0.083 1.00 45.54 C ATOM 1306 CG GLU A 83 12.016 12.979 -0.498 1.00 3.13 C ATOM 1307 CD GLU A 83 12.774 13.909 -1.426 1.00 13.04 C ATOM 1308 OE1 GLU A 83 13.253 13.437 -2.478 1.00 13.42 O ATOM 1309 OE2 GLU A 83 12.887 15.109 -1.099 1.00 12.21 O ATOM 0 H GLU A 83 12.526 9.811 1.362 1.00 50.34 H new ATOM 0 HA GLU A 83 11.825 10.555 -1.219 1.00 11.44 H new ATOM 0 HB2 GLU A 83 12.679 11.780 1.145 1.00 45.54 H new ATOM 0 HB3 GLU A 83 13.941 12.191 0.002 1.00 45.54 H new ATOM 0 HG2 GLU A 83 11.190 12.523 -1.043 1.00 3.13 H new ATOM 0 HG3 GLU A 83 11.580 13.559 0.315 1.00 3.13 H new ATOM 1316 N ASP A 84 14.941 9.610 -0.925 1.00 25.22 N ATOM 1317 CA ASP A 84 16.147 9.272 -1.672 1.00 45.31 C ATOM 1318 C ASP A 84 15.812 8.407 -2.883 1.00 42.41 C ATOM 1319 O ASP A 84 16.493 8.464 -3.908 1.00 75.12 O ATOM 1320 CB ASP A 84 17.145 8.544 -0.770 1.00 70.10 C ATOM 1321 CG ASP A 84 17.785 9.466 0.249 1.00 52.31 C ATOM 1322 OD1 ASP A 84 17.319 10.617 0.382 1.00 34.12 O ATOM 1323 OD2 ASP A 84 18.752 9.038 0.912 1.00 24.15 O ATOM 0 H ASP A 84 14.958 9.325 0.054 1.00 25.22 H new ATOM 0 HA ASP A 84 16.598 10.200 -2.024 1.00 45.31 H new ATOM 0 HB2 ASP A 84 16.636 7.732 -0.251 1.00 70.10 H new ATOM 0 HB3 ASP A 84 17.923 8.091 -1.385 1.00 70.10 H new ATOM 1328 N THR A 85 14.759 7.606 -2.758 1.00 61.42 N ATOM 1329 CA THR A 85 14.335 6.727 -3.841 1.00 14.12 C ATOM 1330 C THR A 85 12.909 7.043 -4.278 1.00 72.30 C ATOM 1331 O THR A 85 12.312 6.305 -5.063 1.00 25.13 O ATOM 1332 CB THR A 85 14.417 5.246 -3.427 1.00 75.40 C ATOM 1333 OG1 THR A 85 14.385 5.133 -2.000 1.00 4.12 O ATOM 1334 CG2 THR A 85 15.687 4.603 -3.964 1.00 13.32 C ATOM 0 H THR A 85 14.184 7.548 -1.918 1.00 61.42 H new ATOM 0 HA THR A 85 15.015 6.901 -4.675 1.00 14.12 H new ATOM 0 HB THR A 85 13.558 4.725 -3.851 1.00 75.40 H new ATOM 0 HG1 THR A 85 14.436 4.188 -1.745 1.00 4.12 H new ATOM 0 HG21 THR A 85 15.723 3.557 -3.659 1.00 13.32 H new ATOM 0 HG22 THR A 85 15.693 4.664 -5.052 1.00 13.32 H new ATOM 0 HG23 THR A 85 16.556 5.127 -3.566 1.00 13.32 H new ATOM 1342 N ARG A 86 12.368 8.143 -3.766 1.00 52.41 N ATOM 1343 CA ARG A 86 11.011 8.556 -4.104 1.00 11.10 C ATOM 1344 C ARG A 86 10.987 9.313 -5.429 1.00 32.13 C ATOM 1345 O ARG A 86 11.732 10.275 -5.620 1.00 63.54 O ATOM 1346 CB ARG A 86 10.430 9.433 -2.993 1.00 21.31 C ATOM 1347 CG ARG A 86 8.915 9.364 -2.893 1.00 0.55 C ATOM 1348 CD ARG A 86 8.442 9.559 -1.460 1.00 43.54 C ATOM 1349 NE ARG A 86 7.931 10.908 -1.232 1.00 12.14 N ATOM 1350 CZ ARG A 86 7.832 11.462 -0.029 1.00 2.55 C ATOM 1351 NH1 ARG A 86 8.209 10.788 1.049 1.00 72.32 N ATOM 1352 NH2 ARG A 86 7.357 12.695 0.099 1.00 73.34 N ATOM 0 H ARG A 86 12.848 8.765 -3.115 1.00 52.41 H new ATOM 0 HA ARG A 86 10.400 7.659 -4.206 1.00 11.10 H new ATOM 0 HB2 ARG A 86 10.863 9.131 -2.039 1.00 21.31 H new ATOM 0 HB3 ARG A 86 10.728 10.467 -3.165 1.00 21.31 H new ATOM 0 HG2 ARG A 86 8.472 10.129 -3.531 1.00 0.55 H new ATOM 0 HG3 ARG A 86 8.568 8.399 -3.264 1.00 0.55 H new ATOM 0 HD2 ARG A 86 7.662 8.833 -1.234 1.00 43.54 H new ATOM 0 HD3 ARG A 86 9.268 9.363 -0.776 1.00 43.54 H new ATOM 0 HE ARG A 86 7.634 11.454 -2.041 1.00 12.14 H new ATOM 0 HH11 ARG A 86 8.576 9.841 0.956 1.00 72.32 H new ATOM 0 HH12 ARG A 86 8.132 11.217 1.971 1.00 72.32 H new ATOM 0 HH21 ARG A 86 7.067 13.218 -0.727 1.00 73.34 H new ATOM 0 HH22 ARG A 86 7.282 13.119 1.024 1.00 73.34 H new ATOM 1366 N LEU A 87 10.126 8.872 -6.340 1.00 4.40 N ATOM 1367 CA LEU A 87 10.005 9.507 -7.648 1.00 1.53 C ATOM 1368 C LEU A 87 8.787 10.424 -7.697 1.00 72.01 C ATOM 1369 O LEU A 87 8.910 11.623 -7.946 1.00 63.44 O ATOM 1370 CB LEU A 87 9.904 8.446 -8.745 1.00 12.14 C ATOM 1371 CG LEU A 87 10.990 8.487 -9.820 1.00 71.41 C ATOM 1372 CD1 LEU A 87 10.720 7.441 -10.891 1.00 24.54 C ATOM 1373 CD2 LEU A 87 11.077 9.874 -10.438 1.00 1.50 C ATOM 0 H LEU A 87 9.502 8.078 -6.197 1.00 4.40 H new ATOM 0 HA LEU A 87 10.898 10.110 -7.816 1.00 1.53 H new ATOM 0 HB2 LEU A 87 9.923 7.463 -8.275 1.00 12.14 H new ATOM 0 HB3 LEU A 87 8.934 8.547 -9.232 1.00 12.14 H new ATOM 0 HG LEU A 87 11.947 8.259 -9.351 1.00 71.41 H new ATOM 0 HD11 LEU A 87 11.503 7.485 -11.648 1.00 24.54 H new ATOM 0 HD12 LEU A 87 10.709 6.450 -10.437 1.00 24.54 H new ATOM 0 HD13 LEU A 87 9.754 7.638 -11.356 1.00 24.54 H new ATOM 0 HD21 LEU A 87 11.855 9.884 -11.201 1.00 1.50 H new ATOM 0 HD22 LEU A 87 10.120 10.131 -10.892 1.00 1.50 H new ATOM 0 HD23 LEU A 87 11.318 10.603 -9.664 1.00 1.50 H new ATOM 1385 N GLU A 88 7.612 9.851 -7.456 1.00 14.32 N ATOM 1386 CA GLU A 88 6.371 10.618 -7.471 1.00 44.14 C ATOM 1387 C GLU A 88 5.639 10.495 -6.139 1.00 35.44 C ATOM 1388 O GLU A 88 6.051 9.741 -5.258 1.00 61.34 O ATOM 1389 CB GLU A 88 5.466 10.143 -8.610 1.00 21.33 C ATOM 1390 CG GLU A 88 4.903 11.274 -9.452 1.00 53.55 C ATOM 1391 CD GLU A 88 5.977 12.022 -10.219 1.00 73.40 C ATOM 1392 OE1 GLU A 88 7.004 11.400 -10.561 1.00 20.53 O ATOM 1393 OE2 GLU A 88 5.789 13.229 -10.477 1.00 41.04 O ATOM 0 H GLU A 88 7.493 8.859 -7.248 1.00 14.32 H new ATOM 0 HA GLU A 88 6.623 11.666 -7.631 1.00 44.14 H new ATOM 0 HB2 GLU A 88 6.030 9.468 -9.254 1.00 21.33 H new ATOM 0 HB3 GLU A 88 4.640 9.568 -8.191 1.00 21.33 H new ATOM 0 HG2 GLU A 88 4.174 10.870 -10.155 1.00 53.55 H new ATOM 0 HG3 GLU A 88 4.370 11.972 -8.806 1.00 53.55 H new ATOM 1400 N GLY A 89 4.548 11.242 -5.998 1.00 10.31 N ATOM 1401 CA GLY A 89 3.775 11.203 -4.770 1.00 40.13 C ATOM 1402 C GLY A 89 4.236 12.237 -3.762 1.00 34.11 C ATOM 1403 O GLY A 89 5.025 13.130 -4.072 1.00 72.53 O ATOM 0 H GLY A 89 4.186 11.874 -6.712 1.00 10.31 H new ATOM 0 HA2 GLY A 89 2.723 11.369 -5.001 1.00 40.13 H new ATOM 0 HA3 GLY A 89 3.851 10.210 -4.328 1.00 40.13 H new ATOM 1407 N PRO A 90 3.736 12.124 -2.522 1.00 74.04 N ATOM 1408 CA PRO A 90 2.795 11.066 -2.142 1.00 11.23 C ATOM 1409 C PRO A 90 1.424 11.251 -2.783 1.00 61.14 C ATOM 1410 O PRO A 90 1.134 12.300 -3.359 1.00 23.21 O ATOM 1411 CB PRO A 90 2.697 11.209 -0.621 1.00 0.12 C ATOM 1412 CG PRO A 90 3.041 12.633 -0.351 1.00 44.32 C ATOM 1413 CD PRO A 90 4.050 13.021 -1.397 1.00 72.44 C ATOM 0 HA PRO A 90 3.132 10.083 -2.471 1.00 11.23 H new ATOM 0 HB2 PRO A 90 1.695 10.969 -0.265 1.00 0.12 H new ATOM 0 HB3 PRO A 90 3.386 10.533 -0.115 1.00 0.12 H new ATOM 0 HG2 PRO A 90 2.156 13.266 -0.409 1.00 44.32 H new ATOM 0 HG3 PRO A 90 3.453 12.752 0.651 1.00 44.32 H new ATOM 0 HD2 PRO A 90 3.953 14.069 -1.680 1.00 72.44 H new ATOM 0 HD3 PRO A 90 5.071 12.879 -1.043 1.00 72.44 H new ATOM 1421 N TRP A 91 0.585 10.227 -2.680 1.00 61.32 N ATOM 1422 CA TRP A 91 -0.756 10.277 -3.251 1.00 13.22 C ATOM 1423 C TRP A 91 -1.771 9.631 -2.314 1.00 61.54 C ATOM 1424 O TRP A 91 -1.568 8.512 -1.843 1.00 40.20 O ATOM 1425 CB TRP A 91 -0.781 9.578 -4.611 1.00 22.21 C ATOM 1426 CG TRP A 91 -0.138 10.379 -5.702 1.00 70.15 C ATOM 1427 CD1 TRP A 91 -0.187 11.734 -5.862 1.00 52.30 C ATOM 1428 CD2 TRP A 91 0.649 9.874 -6.787 1.00 35.52 C ATOM 1429 NE1 TRP A 91 0.521 12.102 -6.980 1.00 44.04 N ATOM 1430 CE2 TRP A 91 1.045 10.979 -7.565 1.00 14.12 C ATOM 1431 CE3 TRP A 91 1.059 8.595 -7.175 1.00 54.31 C ATOM 1432 CZ2 TRP A 91 1.829 10.842 -8.707 1.00 53.31 C ATOM 1433 CZ3 TRP A 91 1.837 8.461 -8.309 1.00 55.33 C ATOM 1434 CH2 TRP A 91 2.216 9.579 -9.064 1.00 53.31 C ATOM 0 H TRP A 91 0.809 9.352 -2.206 1.00 61.32 H new ATOM 0 HA TRP A 91 -1.028 11.324 -3.385 1.00 13.22 H new ATOM 0 HB2 TRP A 91 -0.273 8.617 -4.527 1.00 22.21 H new ATOM 0 HB3 TRP A 91 -1.815 9.368 -4.885 1.00 22.21 H new ATOM 0 HD1 TRP A 91 -0.706 12.417 -5.206 1.00 52.30 H new ATOM 0 HE1 TRP A 91 0.638 13.057 -7.320 1.00 44.04 H new ATOM 0 HE3 TRP A 91 0.773 7.727 -6.599 1.00 54.31 H new ATOM 0 HZ2 TRP A 91 2.122 11.702 -9.291 1.00 53.31 H new ATOM 0 HZ3 TRP A 91 2.159 7.478 -8.619 1.00 55.33 H new ATOM 0 HH2 TRP A 91 2.825 9.441 -9.945 1.00 53.31 H new ATOM 1445 N GLU A 92 -2.863 10.341 -2.050 1.00 3.33 N ATOM 1446 CA GLU A 92 -3.908 9.835 -1.168 1.00 72.34 C ATOM 1447 C GLU A 92 -5.228 9.684 -1.920 1.00 65.32 C ATOM 1448 O GLU A 92 -5.608 10.549 -2.709 1.00 45.12 O ATOM 1449 CB GLU A 92 -4.095 10.770 0.028 1.00 24.44 C ATOM 1450 CG GLU A 92 -2.997 10.648 1.072 1.00 12.33 C ATOM 1451 CD GLU A 92 -2.328 11.976 1.372 1.00 31.53 C ATOM 1452 OE1 GLU A 92 -2.136 12.770 0.429 1.00 43.42 O ATOM 1453 OE2 GLU A 92 -1.997 12.219 2.552 1.00 51.13 O ATOM 0 H GLU A 92 -3.047 11.268 -2.434 1.00 3.33 H new ATOM 0 HA GLU A 92 -3.599 8.854 -0.808 1.00 72.34 H new ATOM 0 HB2 GLU A 92 -4.133 11.799 -0.328 1.00 24.44 H new ATOM 0 HB3 GLU A 92 -5.056 10.559 0.497 1.00 24.44 H new ATOM 0 HG2 GLU A 92 -3.418 10.242 1.991 1.00 12.33 H new ATOM 0 HG3 GLU A 92 -2.247 9.938 0.724 1.00 12.33 H new ATOM 1460 N TYR A 93 -5.921 8.579 -1.670 1.00 22.40 N ATOM 1461 CA TYR A 93 -7.196 8.312 -2.325 1.00 20.33 C ATOM 1462 C TYR A 93 -8.180 7.661 -1.357 1.00 3.12 C ATOM 1463 O TYR A 93 -7.786 7.116 -0.327 1.00 30.14 O ATOM 1464 CB TYR A 93 -6.989 7.409 -3.542 1.00 40.22 C ATOM 1465 CG TYR A 93 -6.201 8.064 -4.654 1.00 52.04 C ATOM 1466 CD1 TYR A 93 -6.818 8.922 -5.557 1.00 1.02 C ATOM 1467 CD2 TYR A 93 -4.841 7.824 -4.803 1.00 41.25 C ATOM 1468 CE1 TYR A 93 -6.102 9.522 -6.575 1.00 14.10 C ATOM 1469 CE2 TYR A 93 -4.117 8.421 -5.818 1.00 33.04 C ATOM 1470 CZ TYR A 93 -4.752 9.269 -6.701 1.00 34.21 C ATOM 1471 OH TYR A 93 -4.035 9.864 -7.713 1.00 54.13 O ATOM 0 H TYR A 93 -5.621 7.854 -1.019 1.00 22.40 H new ATOM 0 HA TYR A 93 -7.613 9.264 -2.654 1.00 20.33 H new ATOM 0 HB2 TYR A 93 -6.473 6.502 -3.227 1.00 40.22 H new ATOM 0 HB3 TYR A 93 -7.962 7.104 -3.928 1.00 40.22 H new ATOM 0 HD1 TYR A 93 -7.875 9.123 -5.461 1.00 1.02 H new ATOM 0 HD2 TYR A 93 -4.341 7.160 -4.114 1.00 41.25 H new ATOM 0 HE1 TYR A 93 -6.597 10.186 -7.269 1.00 14.10 H new ATOM 0 HE2 TYR A 93 -3.060 8.224 -5.919 1.00 33.04 H new ATOM 0 HH TYR A 93 -3.098 9.581 -7.660 1.00 54.13 H new ATOM 1481 N GLY A 94 -9.464 7.723 -1.697 1.00 65.24 N ATOM 1482 CA GLY A 94 -10.485 7.136 -0.850 1.00 21.02 C ATOM 1483 C GLY A 94 -11.030 8.119 0.167 1.00 5.23 C ATOM 1484 O GLY A 94 -11.064 9.324 -0.082 1.00 24.32 O ATOM 0 H GLY A 94 -9.815 8.170 -2.544 1.00 65.24 H new ATOM 0 HA2 GLY A 94 -11.302 6.770 -1.472 1.00 21.02 H new ATOM 0 HA3 GLY A 94 -10.069 6.273 -0.330 1.00 21.02 H new ATOM 1488 N GLU A 95 -11.458 7.604 1.316 1.00 40.25 N ATOM 1489 CA GLU A 95 -12.006 8.446 2.372 1.00 12.32 C ATOM 1490 C GLU A 95 -11.053 9.590 2.706 1.00 2.20 C ATOM 1491 O GLU A 95 -11.311 10.745 2.368 1.00 32.22 O ATOM 1492 CB GLU A 95 -12.281 7.615 3.627 1.00 72.43 C ATOM 1493 CG GLU A 95 -12.645 8.450 4.843 1.00 23.50 C ATOM 1494 CD GLU A 95 -13.879 9.302 4.618 1.00 25.21 C ATOM 1495 OE1 GLU A 95 -14.880 8.770 4.095 1.00 11.32 O ATOM 1496 OE2 GLU A 95 -13.842 10.501 4.966 1.00 61.24 O ATOM 0 H GLU A 95 -11.436 6.609 1.538 1.00 40.25 H new ATOM 0 HA GLU A 95 -12.944 8.870 2.013 1.00 12.32 H new ATOM 0 HB2 GLU A 95 -13.093 6.917 3.420 1.00 72.43 H new ATOM 0 HB3 GLU A 95 -11.399 7.018 3.858 1.00 72.43 H new ATOM 0 HG2 GLU A 95 -12.814 7.791 5.694 1.00 23.50 H new ATOM 0 HG3 GLU A 95 -11.805 9.095 5.101 1.00 23.50 H new TER 1503 GLU A 95