USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 833 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 61 THR OG1 : rot 180:sc= 0.00504 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 ASN : amide:sc= 1.05 K(o=2.3,f=-3) USER MOD Set 2.2: A 90 THR OG1 : rot -63:sc= 1.26 USER MOD Set 3.1: A 32 LYS NZ :NH3+ 168:sc= 0.135 (180deg=0) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.59 K(o=1.7,f=-1.6) USER MOD Set 4.1: A 25 SER OG : rot 107:sc= 2.26 USER MOD Set 4.2: A 78 TYR OH : rot -159:sc= -0.357! USER MOD Set 5.1: A 2 GLN : amide:sc= 1.01 K(o=2.2,f=-4.4) USER MOD Set 5.2: A 10 LYS NZ :NH3+ -178:sc= 1.19 (180deg=-0.00404) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0153) USER MOD Single : A 6 THR OG1 : rot 79:sc= 1.31 USER MOD Single : A 8 GLN :FLIP amide:sc= -2.08 F(o=-2.8!,f=-2.1) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= 1.27 K(o=1.3,f=-4.6!) USER MOD Single : A 13 THR OG1 : rot -130:sc= -0.0436 USER MOD Single : A 14 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.019) USER MOD Single : A 15 THR OG1 : rot -115:sc= 0.104 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 26 THR OG1 : rot -83:sc= 1.03 USER MOD Single : A 27 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.024) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -89:sc= 1.27 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -2:sc= 0.886 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0301) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -0.0475 (180deg=-0.0475) USER MOD Single : A 60 THR OG1 : rot 107:sc= 0.736 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -136:sc= 1.21 USER MOD Single : A 70 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.54) USER MOD Single : A 72 THR OG1 : rot -79:sc= 0.331 USER MOD Single : A 73 SER OG : rot 180:sc= 0.122 USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= 0.99 (180deg=-0.706!) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= -0.0665 (180deg=-0.378) USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 1.31 (180deg=0.756) USER MOD Single : A 82 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 83 SER OG : rot -150:sc= -1.67! USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0489 K(o=-0.049,f=-7.2!) USER MOD Single : A 86 LYS NZ :NH3+ -169:sc= 2.37 (180deg=2.14) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 94 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.8!) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.208 F(o=-2.1!,f=-0.21) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.571 16.033 3.376 1.00 2.73 N ATOM 2 CA MET A 1 -3.684 16.042 2.189 1.00 1.99 C ATOM 3 C MET A 1 -3.786 14.729 1.427 1.00 1.53 C ATOM 4 O MET A 1 -3.938 14.718 0.204 1.00 2.16 O ATOM 5 CB MET A 1 -2.225 16.262 2.603 1.00 2.50 C ATOM 6 CG MET A 1 -1.924 17.653 3.136 1.00 3.10 C ATOM 7 SD MET A 1 -0.179 17.871 3.533 1.00 4.10 S ATOM 8 CE MET A 1 -0.165 19.568 4.104 1.00 4.70 C ATOM 0 H1 MET A 1 -4.537 16.962 3.842 1.00 2.73 H new ATOM 0 H2 MET A 1 -5.547 15.831 3.079 1.00 2.73 H new ATOM 0 H3 MET A 1 -4.253 15.300 4.042 1.00 2.73 H new ATOM 0 HA MET A 1 -4.007 16.860 1.546 1.00 1.99 H new ATOM 0 HB2 MET A 1 -1.963 15.530 3.366 1.00 2.50 H new ATOM 0 HB3 MET A 1 -1.584 16.070 1.743 1.00 2.50 H new ATOM 0 HG2 MET A 1 -2.221 18.396 2.396 1.00 3.10 H new ATOM 0 HG3 MET A 1 -2.523 17.835 4.028 1.00 3.10 H new ATOM 0 HE1 MET A 1 0.850 19.849 4.386 1.00 4.70 H new ATOM 0 HE2 MET A 1 -0.514 20.223 3.306 1.00 4.70 H new ATOM 0 HE3 MET A 1 -0.822 19.667 4.968 1.00 4.70 H new ATOM 20 N GLN A 2 -3.706 13.623 2.150 1.00 0.97 N ATOM 21 CA GLN A 2 -3.672 12.313 1.528 1.00 0.74 C ATOM 22 C GLN A 2 -5.079 11.796 1.272 1.00 0.65 C ATOM 23 O GLN A 2 -5.965 11.905 2.120 1.00 0.86 O ATOM 24 CB GLN A 2 -2.878 11.330 2.388 1.00 1.18 C ATOM 25 CG GLN A 2 -1.474 11.821 2.704 1.00 1.83 C ATOM 26 CD GLN A 2 -0.581 10.733 3.261 1.00 2.42 C ATOM 27 OE1 GLN A 2 0.111 10.040 2.512 1.00 2.91 O ATOM 28 NE2 GLN A 2 -0.585 10.576 4.575 1.00 3.09 N ATOM 0 H GLN A 2 -3.663 13.609 3.169 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.170 12.407 0.565 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -3.415 11.155 3.320 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -2.815 10.372 1.872 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -1.023 12.225 1.798 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -1.534 12.639 3.422 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -1.173 11.172 5.158 1.00 3.09 H new ATOM 0 HE22 GLN A 2 0.000 9.859 5.005 1.00 3.09 H new ATOM 37 N ASP A 3 -5.262 11.246 0.086 1.00 0.48 N ATOM 38 CA ASP A 3 -6.548 10.752 -0.365 1.00 0.44 C ATOM 39 C ASP A 3 -6.346 9.438 -1.109 1.00 0.32 C ATOM 40 O ASP A 3 -5.272 8.850 -1.028 1.00 0.32 O ATOM 41 CB ASP A 3 -7.188 11.778 -1.301 1.00 0.55 C ATOM 42 CG ASP A 3 -6.529 11.795 -2.668 1.00 1.30 C ATOM 43 OD1 ASP A 3 -5.301 11.997 -2.728 1.00 1.67 O ATOM 44 OD2 ASP A 3 -7.240 11.641 -3.690 1.00 1.97 O ATOM 0 H ASP A 3 -4.514 11.129 -0.598 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.201 10.590 0.492 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -8.249 11.553 -1.413 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -7.118 12.769 -0.853 1.00 0.55 H new ATOM 49 N TRP A 4 -7.362 8.999 -1.845 1.00 0.32 N ATOM 50 CA TRP A 4 -7.272 7.785 -2.650 1.00 0.27 C ATOM 51 C TRP A 4 -6.090 7.839 -3.617 1.00 0.24 C ATOM 52 O TRP A 4 -5.316 6.889 -3.722 1.00 0.25 O ATOM 53 CB TRP A 4 -8.574 7.583 -3.429 1.00 0.29 C ATOM 54 CG TRP A 4 -8.484 6.562 -4.528 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.728 6.768 -5.857 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.113 5.184 -4.398 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.542 5.600 -6.556 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.162 4.615 -5.683 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.743 4.375 -3.321 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.861 3.275 -5.917 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.445 3.046 -3.554 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.504 2.508 -4.844 1.00 0.22 C ATOM 0 H TRP A 4 -8.265 9.470 -1.901 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.113 6.944 -1.975 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.357 7.283 -2.733 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.878 8.537 -3.859 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -9.024 7.711 -6.294 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.667 5.485 -7.562 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.691 4.782 -2.322 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.908 2.857 -6.912 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.162 2.412 -2.727 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.263 1.466 -4.995 1.00 0.22 H new ATOM 73 N LEU A 5 -5.944 8.956 -4.316 1.00 0.28 N ATOM 74 CA LEU A 5 -4.906 9.076 -5.327 1.00 0.32 C ATOM 75 C LEU A 5 -3.520 9.184 -4.702 1.00 0.32 C ATOM 76 O LEU A 5 -2.523 8.799 -5.311 1.00 0.35 O ATOM 77 CB LEU A 5 -5.185 10.243 -6.256 1.00 0.42 C ATOM 78 CG LEU A 5 -6.359 9.987 -7.192 1.00 0.54 C ATOM 79 CD1 LEU A 5 -7.651 10.514 -6.601 1.00 0.75 C ATOM 80 CD2 LEU A 5 -6.084 10.574 -8.554 1.00 0.84 C ATOM 0 H LEU A 5 -6.527 9.785 -4.202 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.920 8.163 -5.922 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.388 11.134 -5.662 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -4.294 10.451 -6.848 1.00 0.42 H new ATOM 0 HG LEU A 5 -6.479 8.910 -7.313 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -8.473 10.318 -7.290 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -7.847 10.016 -5.652 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -7.564 11.588 -6.436 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -6.932 10.382 -9.211 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -5.931 11.649 -8.463 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -5.189 10.115 -8.974 1.00 0.84 H new ATOM 92 N THR A 6 -3.459 9.693 -3.483 1.00 0.34 N ATOM 93 CA THR A 6 -2.207 9.727 -2.745 1.00 0.40 C ATOM 94 C THR A 6 -1.914 8.348 -2.149 1.00 0.35 C ATOM 95 O THR A 6 -0.763 7.906 -2.099 1.00 0.37 O ATOM 96 CB THR A 6 -2.254 10.778 -1.624 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.673 12.044 -2.160 1.00 0.59 O ATOM 98 CG2 THR A 6 -0.891 10.927 -0.965 1.00 0.61 C ATOM 0 H THR A 6 -4.257 10.087 -2.985 1.00 0.34 H new ATOM 0 HA THR A 6 -1.412 10.000 -3.439 1.00 0.40 H new ATOM 0 HB THR A 6 -2.969 10.446 -0.871 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.646 12.045 -2.274 1.00 0.59 H new ATOM 0 HG21 THR A 6 -0.949 11.676 -0.175 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.587 9.971 -0.538 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.159 11.241 -1.709 1.00 0.61 H new ATOM 106 N PHE A 7 -2.978 7.677 -1.716 1.00 0.29 N ATOM 107 CA PHE A 7 -2.896 6.319 -1.189 1.00 0.26 C ATOM 108 C PHE A 7 -2.314 5.388 -2.243 1.00 0.23 C ATOM 109 O PHE A 7 -1.442 4.566 -1.953 1.00 0.24 O ATOM 110 CB PHE A 7 -4.296 5.842 -0.778 1.00 0.24 C ATOM 111 CG PHE A 7 -4.340 4.473 -0.152 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.371 3.339 -0.946 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.334 4.319 1.229 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.401 2.079 -0.377 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.363 3.062 1.802 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.444 1.949 1.011 1.00 0.27 C ATOM 0 H PHE A 7 -3.923 8.061 -1.721 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.245 6.310 -0.315 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.717 6.561 -0.075 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -4.938 5.844 -1.659 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.372 3.440 -2.021 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.306 5.193 1.863 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.391 1.200 -1.004 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.322 2.958 2.876 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.541 0.972 1.460 1.00 0.27 H new ATOM 126 N GLN A 8 -2.809 5.537 -3.467 1.00 0.23 N ATOM 127 CA GLN A 8 -2.347 4.758 -4.599 1.00 0.24 C ATOM 128 C GLN A 8 -0.839 4.812 -4.750 1.00 0.24 C ATOM 129 O GLN A 8 -0.164 3.787 -4.710 1.00 0.25 O ATOM 130 CB GLN A 8 -2.969 5.290 -5.873 1.00 0.27 C ATOM 131 CG GLN A 8 -4.371 4.782 -6.144 1.00 0.27 C ATOM 132 CD GLN A 8 -4.932 5.312 -7.447 1.00 0.32 C ATOM 133 OE1 GLN A 8 -5.638 6.429 -7.384 1.00 0.61 O flip ATOM 134 NE2 GLN A 8 -4.737 4.719 -8.504 1.00 0.45 N flip ATOM 0 H GLN A 8 -3.544 6.205 -3.698 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.643 3.724 -4.420 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -2.993 6.379 -5.824 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.330 5.023 -6.714 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.361 3.692 -6.172 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.026 5.074 -5.323 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -4.187 3.860 -8.513 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -5.125 5.085 -9.373 1.00 0.45 H new ATOM 143 N LYS A 9 -0.322 6.020 -4.920 1.00 0.26 N ATOM 144 CA LYS A 9 1.100 6.231 -5.154 1.00 0.29 C ATOM 145 C LYS A 9 1.948 5.561 -4.080 1.00 0.29 C ATOM 146 O LYS A 9 3.053 5.093 -4.347 1.00 0.33 O ATOM 147 CB LYS A 9 1.387 7.730 -5.180 1.00 0.32 C ATOM 148 CG LYS A 9 0.656 8.462 -6.288 1.00 0.33 C ATOM 149 CD LYS A 9 0.665 9.962 -6.064 1.00 0.67 C ATOM 150 CE LYS A 9 -0.098 10.691 -7.159 1.00 1.20 C ATOM 151 NZ LYS A 9 -0.089 12.163 -6.958 1.00 1.88 N ATOM 0 H LYS A 9 -0.873 6.878 -4.900 1.00 0.26 H new ATOM 0 HA LYS A 9 1.362 5.782 -6.112 1.00 0.29 H new ATOM 0 HB2 LYS A 9 1.105 8.163 -4.220 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.459 7.885 -5.297 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.123 8.233 -7.246 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.373 8.107 -6.342 1.00 0.33 H new ATOM 0 HD2 LYS A 9 0.220 10.189 -5.095 1.00 0.67 H new ATOM 0 HD3 LYS A 9 1.694 10.321 -6.035 1.00 0.67 H new ATOM 0 HE2 LYS A 9 0.343 10.455 -8.127 1.00 1.20 H new ATOM 0 HE3 LYS A 9 -1.128 10.335 -7.182 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 -0.620 12.621 -7.726 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 -0.533 12.392 -6.046 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 0.892 12.508 -6.961 1.00 1.88 H new ATOM 165 N LYS A 10 1.409 5.499 -2.873 1.00 0.28 N ATOM 166 CA LYS A 10 2.164 4.992 -1.735 1.00 0.30 C ATOM 167 C LYS A 10 1.992 3.494 -1.515 1.00 0.26 C ATOM 168 O LYS A 10 2.860 2.856 -0.923 1.00 0.29 O ATOM 169 CB LYS A 10 1.796 5.736 -0.450 1.00 0.38 C ATOM 170 CG LYS A 10 2.357 7.146 -0.371 1.00 0.63 C ATOM 171 CD LYS A 10 2.371 7.653 1.064 1.00 0.73 C ATOM 172 CE LYS A 10 2.990 9.039 1.169 1.00 1.10 C ATOM 173 NZ LYS A 10 2.112 10.085 0.583 1.00 1.34 N ATOM 0 H LYS A 10 0.456 5.791 -2.655 1.00 0.28 H new ATOM 0 HA LYS A 10 3.211 5.171 -1.979 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.710 5.783 -0.367 1.00 0.38 H new ATOM 0 HB3 LYS A 10 2.156 5.164 0.405 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.369 7.161 -0.775 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.758 7.814 -0.990 1.00 0.63 H new ATOM 0 HD2 LYS A 10 1.352 7.680 1.450 1.00 0.73 H new ATOM 0 HD3 LYS A 10 2.930 6.957 1.690 1.00 0.73 H new ATOM 0 HE2 LYS A 10 3.183 9.272 2.216 1.00 1.10 H new ATOM 0 HE3 LYS A 10 3.953 9.046 0.659 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 2.585 11.009 0.644 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 1.921 9.859 -0.414 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 1.215 10.120 1.108 1.00 1.34 H new ATOM 187 N HIS A 11 0.879 2.922 -1.953 1.00 0.25 N ATOM 188 CA HIS A 11 0.595 1.534 -1.595 1.00 0.24 C ATOM 189 C HIS A 11 0.180 0.677 -2.781 1.00 0.23 C ATOM 190 O HIS A 11 -0.016 -0.516 -2.626 1.00 0.26 O ATOM 191 CB HIS A 11 -0.486 1.463 -0.513 1.00 0.26 C ATOM 192 CG HIS A 11 -0.075 2.079 0.786 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.852 1.512 1.632 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.457 3.234 1.373 1.00 0.35 C ATOM 195 CE1 HIS A 11 1.020 2.290 2.681 1.00 0.34 C ATOM 196 NE2 HIS A 11 0.237 3.345 2.551 1.00 0.37 N ATOM 0 H HIS A 11 0.177 3.376 -2.537 1.00 0.25 H new ATOM 0 HA HIS A 11 1.532 1.128 -1.215 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.384 1.964 -0.875 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.750 0.419 -0.343 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.333 0.627 1.471 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.177 3.940 0.986 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.686 2.097 3.509 1.00 0.34 H new ATOM 205 N ILE A 12 0.045 1.258 -3.953 1.00 0.23 N ATOM 206 CA ILE A 12 -0.367 0.487 -5.115 1.00 0.24 C ATOM 207 C ILE A 12 0.785 0.315 -6.093 1.00 0.23 C ATOM 208 O ILE A 12 1.339 1.293 -6.602 1.00 0.30 O ATOM 209 CB ILE A 12 -1.577 1.130 -5.805 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.751 1.102 -4.826 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.922 0.414 -7.111 1.00 0.28 C ATOM 212 CD1 ILE A 12 -4.077 1.366 -5.470 1.00 0.48 C ATOM 0 H ILE A 12 0.211 2.249 -4.130 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.665 -0.502 -4.768 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.344 2.160 -6.073 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.782 0.128 -4.337 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -2.581 1.845 -4.047 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.784 0.896 -7.573 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.071 0.465 -7.790 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.158 -0.630 -6.902 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.862 1.330 -4.715 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -4.066 2.352 -5.935 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -4.270 0.608 -6.230 1.00 0.48 H new ATOM 224 N THR A 13 1.142 -0.935 -6.343 1.00 0.20 N ATOM 225 CA THR A 13 2.250 -1.250 -7.225 1.00 0.21 C ATOM 226 C THR A 13 1.854 -2.352 -8.204 1.00 0.22 C ATOM 227 O THR A 13 0.896 -3.093 -7.971 1.00 0.24 O ATOM 228 CB THR A 13 3.513 -1.668 -6.435 1.00 0.21 C ATOM 229 OG1 THR A 13 4.621 -1.842 -7.326 1.00 0.30 O ATOM 230 CG2 THR A 13 3.286 -2.955 -5.655 1.00 0.21 C ATOM 0 H THR A 13 0.677 -1.750 -5.944 1.00 0.20 H new ATOM 0 HA THR A 13 2.492 -0.345 -7.782 1.00 0.21 H new ATOM 0 HB THR A 13 3.733 -0.870 -5.725 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.049 -2.706 -7.151 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.195 -3.217 -5.113 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.470 -2.812 -4.947 1.00 0.21 H new ATOM 0 HG23 THR A 13 3.031 -3.759 -6.346 1.00 0.21 H new ATOM 238 N ASN A 14 2.597 -2.450 -9.294 1.00 0.28 N ATOM 239 CA ASN A 14 2.298 -3.402 -10.356 1.00 0.33 C ATOM 240 C ASN A 14 3.428 -4.412 -10.512 1.00 0.32 C ATOM 241 O ASN A 14 3.532 -5.090 -11.532 1.00 0.36 O ATOM 242 CB ASN A 14 2.068 -2.661 -11.676 1.00 0.46 C ATOM 243 CG ASN A 14 3.205 -1.715 -12.020 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.198 -0.550 -11.619 1.00 2.20 O ATOM 245 ND2 ASN A 14 4.189 -2.202 -12.760 1.00 2.08 N ATOM 0 H ASN A 14 3.421 -1.875 -9.469 1.00 0.28 H new ATOM 0 HA ASN A 14 1.390 -3.942 -10.087 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.948 -3.387 -12.480 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.137 -2.097 -11.615 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.977 -1.607 -13.017 1.00 2.08 H new ATOM 0 HD22 ASN A 14 4.159 -3.172 -13.073 1.00 2.08 H new ATOM 252 N THR A 15 4.275 -4.501 -9.497 1.00 0.33 N ATOM 253 CA THR A 15 5.368 -5.462 -9.488 1.00 0.36 C ATOM 254 C THR A 15 5.536 -6.045 -8.084 1.00 0.33 C ATOM 255 O THR A 15 5.340 -5.344 -7.088 1.00 0.36 O ATOM 256 CB THR A 15 6.693 -4.815 -9.971 1.00 0.42 C ATOM 257 OG1 THR A 15 7.779 -5.750 -9.884 1.00 0.48 O ATOM 258 CG2 THR A 15 7.027 -3.571 -9.164 1.00 0.43 C ATOM 0 H THR A 15 4.225 -3.915 -8.664 1.00 0.33 H new ATOM 0 HA THR A 15 5.122 -6.266 -10.182 1.00 0.36 H new ATOM 0 HB THR A 15 6.552 -4.527 -11.013 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.428 -5.436 -9.221 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.961 -3.142 -9.527 1.00 0.43 H new ATOM 0 HG22 THR A 15 6.225 -2.841 -9.273 1.00 0.43 H new ATOM 0 HG23 THR A 15 7.135 -3.837 -8.113 1.00 0.43 H new ATOM 266 N ARG A 16 5.864 -7.332 -8.006 1.00 0.32 N ATOM 267 CA ARG A 16 6.054 -7.990 -6.720 1.00 0.31 C ATOM 268 C ARG A 16 7.270 -7.429 -6.006 1.00 0.33 C ATOM 269 O ARG A 16 7.227 -7.162 -4.810 1.00 0.45 O ATOM 270 CB ARG A 16 6.181 -9.502 -6.890 1.00 0.36 C ATOM 271 CG ARG A 16 4.861 -10.176 -7.214 1.00 0.45 C ATOM 272 CD ARG A 16 3.869 -10.024 -6.070 1.00 0.38 C ATOM 273 NE ARG A 16 4.151 -10.930 -4.957 1.00 0.32 N ATOM 274 CZ ARG A 16 4.118 -10.580 -3.672 1.00 0.40 C ATOM 275 NH1 ARG A 16 3.980 -9.303 -3.322 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.251 -11.512 -2.737 1.00 0.51 N ATOM 0 H ARG A 16 6.003 -7.937 -8.816 1.00 0.32 H new ATOM 0 HA ARG A 16 5.173 -7.793 -6.109 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.895 -9.714 -7.686 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.587 -9.932 -5.974 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.442 -9.743 -8.122 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.030 -11.234 -7.414 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.890 -8.995 -5.710 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.861 -10.212 -6.440 1.00 0.38 H new ATOM 0 HE ARG A 16 4.389 -11.896 -5.180 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.898 -8.583 -4.040 1.00 0.49 H new ATOM 0 HH12 ARG A 16 3.956 -9.044 -2.336 1.00 0.49 H new ATOM 0 HH21 ARG A 16 4.377 -12.488 -3.004 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.227 -11.252 -1.751 1.00 0.51 H new ATOM 290 N ASP A 17 8.359 -7.260 -6.733 1.00 0.37 N ATOM 291 CA ASP A 17 9.498 -6.550 -6.211 1.00 0.42 C ATOM 292 C ASP A 17 9.468 -5.111 -6.700 1.00 0.36 C ATOM 293 O ASP A 17 9.982 -4.786 -7.770 1.00 0.46 O ATOM 294 CB ASP A 17 10.808 -7.243 -6.596 1.00 0.60 C ATOM 295 CG ASP A 17 10.883 -7.642 -8.055 1.00 1.16 C ATOM 296 OD1 ASP A 17 10.350 -8.714 -8.404 1.00 1.94 O ATOM 297 OD2 ASP A 17 11.497 -6.901 -8.848 1.00 1.40 O ATOM 0 H ASP A 17 8.473 -7.607 -7.685 1.00 0.37 H new ATOM 0 HA ASP A 17 9.446 -6.551 -5.122 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.641 -6.578 -6.368 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.932 -8.133 -5.979 1.00 0.60 H new ATOM 302 N VAL A 18 8.794 -4.263 -5.937 1.00 0.31 N ATOM 303 CA VAL A 18 8.707 -2.849 -6.264 1.00 0.29 C ATOM 304 C VAL A 18 10.083 -2.196 -6.149 1.00 0.29 C ATOM 305 O VAL A 18 10.805 -2.418 -5.174 1.00 0.35 O ATOM 306 CB VAL A 18 7.661 -2.115 -5.374 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.744 -2.559 -3.916 1.00 0.53 C ATOM 308 CG2 VAL A 18 7.825 -0.606 -5.479 1.00 0.58 C ATOM 0 H VAL A 18 8.299 -4.531 -5.086 1.00 0.31 H new ATOM 0 HA VAL A 18 8.365 -2.762 -7.295 1.00 0.29 H new ATOM 0 HB VAL A 18 6.673 -2.387 -5.747 1.00 0.36 H new ATOM 0 HG11 VAL A 18 6.998 -2.023 -3.329 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.556 -3.631 -3.851 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.738 -2.341 -3.525 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.084 -0.115 -4.849 1.00 0.58 H new ATOM 0 HG22 VAL A 18 8.825 -0.325 -5.149 1.00 0.58 H new ATOM 0 HG23 VAL A 18 7.684 -0.296 -6.514 1.00 0.58 H new ATOM 318 N ASP A 19 10.452 -1.406 -7.158 1.00 0.34 N ATOM 319 CA ASP A 19 11.771 -0.783 -7.194 1.00 0.41 C ATOM 320 C ASP A 19 11.819 0.418 -6.265 1.00 0.39 C ATOM 321 O ASP A 19 11.910 1.572 -6.694 1.00 0.46 O ATOM 322 CB ASP A 19 12.151 -0.372 -8.617 1.00 0.58 C ATOM 323 CG ASP A 19 13.610 0.033 -8.730 1.00 1.11 C ATOM 324 OD1 ASP A 19 14.483 -0.857 -8.658 1.00 1.28 O ATOM 325 OD2 ASP A 19 13.886 1.238 -8.902 1.00 1.91 O ATOM 0 H ASP A 19 9.858 -1.184 -7.957 1.00 0.34 H new ATOM 0 HA ASP A 19 12.498 -1.520 -6.851 1.00 0.41 H new ATOM 0 HB2 ASP A 19 11.953 -1.200 -9.297 1.00 0.58 H new ATOM 0 HB3 ASP A 19 11.520 0.459 -8.934 1.00 0.58 H new ATOM 330 N CYS A 20 11.688 0.127 -4.985 1.00 0.38 N ATOM 331 CA CYS A 20 11.773 1.118 -3.931 1.00 0.40 C ATOM 332 C CYS A 20 13.047 1.946 -3.999 1.00 0.38 C ATOM 333 O CYS A 20 13.063 3.090 -3.548 1.00 0.39 O ATOM 334 CB CYS A 20 11.648 0.427 -2.586 1.00 0.51 C ATOM 335 SG CYS A 20 9.926 -0.006 -2.195 1.00 0.93 S ATOM 0 H CYS A 20 11.517 -0.819 -4.644 1.00 0.38 H new ATOM 0 HA CYS A 20 10.950 1.820 -4.066 1.00 0.40 H new ATOM 0 HB2 CYS A 20 12.257 -0.477 -2.586 1.00 0.51 H new ATOM 0 HB3 CYS A 20 12.043 1.078 -1.806 1.00 0.51 H new ATOM 340 N ASP A 21 14.104 1.363 -4.558 1.00 0.47 N ATOM 341 CA ASP A 21 15.387 2.054 -4.703 1.00 0.59 C ATOM 342 C ASP A 21 15.199 3.424 -5.354 1.00 0.53 C ATOM 343 O ASP A 21 15.804 4.410 -4.937 1.00 0.64 O ATOM 344 CB ASP A 21 16.353 1.210 -5.533 1.00 0.85 C ATOM 345 CG ASP A 21 17.742 1.154 -4.924 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.433 2.193 -4.880 1.00 1.66 O ATOM 347 OD2 ASP A 21 18.151 0.062 -4.475 1.00 2.26 O ATOM 0 H ASP A 21 14.099 0.409 -4.920 1.00 0.47 H new ATOM 0 HA ASP A 21 15.807 2.200 -3.708 1.00 0.59 H new ATOM 0 HB2 ASP A 21 15.959 0.198 -5.626 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.417 1.621 -6.540 1.00 0.85 H new ATOM 352 N ASN A 22 14.347 3.486 -6.366 1.00 0.50 N ATOM 353 CA ASN A 22 14.031 4.755 -7.012 1.00 0.49 C ATOM 354 C ASN A 22 12.753 5.345 -6.445 1.00 0.42 C ATOM 355 O ASN A 22 12.713 6.508 -6.046 1.00 0.43 O ATOM 356 CB ASN A 22 13.871 4.560 -8.518 1.00 0.59 C ATOM 357 CG ASN A 22 13.594 5.858 -9.255 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.008 6.936 -8.827 1.00 1.07 O ATOM 359 ND2 ASN A 22 12.894 5.765 -10.372 1.00 1.14 N ATOM 0 H ASN A 22 13.863 2.678 -6.758 1.00 0.50 H new ATOM 0 HA ASN A 22 14.855 5.442 -6.820 1.00 0.49 H new ATOM 0 HB2 ASN A 22 14.777 4.107 -8.919 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.056 3.861 -8.704 1.00 0.59 H new ATOM 0 HD21 ASN A 22 12.680 6.604 -10.911 1.00 1.14 H new ATOM 0 HD22 ASN A 22 12.568 4.854 -10.695 1.00 1.14 H new ATOM 366 N ILE A 23 11.717 4.522 -6.397 1.00 0.40 N ATOM 367 CA ILE A 23 10.384 4.966 -5.991 1.00 0.38 C ATOM 368 C ILE A 23 10.382 5.642 -4.614 1.00 0.33 C ATOM 369 O ILE A 23 9.775 6.700 -4.445 1.00 0.34 O ATOM 370 CB ILE A 23 9.375 3.795 -6.014 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.242 3.266 -7.445 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.019 4.235 -5.473 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.320 2.076 -7.582 1.00 0.48 C ATOM 0 H ILE A 23 11.771 3.532 -6.636 1.00 0.40 H new ATOM 0 HA ILE A 23 10.074 5.714 -6.721 1.00 0.38 H new ATOM 0 HB ILE A 23 9.744 2.996 -5.370 1.00 0.39 H new ATOM 0 HG12 ILE A 23 8.878 4.069 -8.085 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.231 2.990 -7.812 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.326 3.394 -5.499 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.132 4.580 -4.445 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.628 5.046 -6.087 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.282 1.764 -8.626 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.693 1.254 -6.971 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.319 2.351 -7.248 1.00 0.48 H new ATOM 385 N LEU A 24 11.086 5.067 -3.644 1.00 0.30 N ATOM 386 CA LEU A 24 11.083 5.624 -2.292 1.00 0.29 C ATOM 387 C LEU A 24 11.978 6.856 -2.197 1.00 0.32 C ATOM 388 O LEU A 24 11.947 7.574 -1.198 1.00 0.33 O ATOM 389 CB LEU A 24 11.534 4.595 -1.247 1.00 0.31 C ATOM 390 CG LEU A 24 10.668 3.338 -1.105 1.00 0.38 C ATOM 391 CD1 LEU A 24 11.121 2.518 0.091 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.202 3.687 -0.956 1.00 1.01 C ATOM 0 H LEU A 24 11.657 4.230 -3.763 1.00 0.30 H new ATOM 0 HA LEU A 24 10.052 5.909 -2.080 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.550 4.284 -1.491 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.577 5.091 -0.277 1.00 0.31 H new ATOM 0 HG LEU A 24 10.789 2.751 -2.016 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.497 1.629 0.180 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.161 2.220 -0.045 1.00 1.03 H new ATOM 0 HD13 LEU A 24 11.031 3.116 0.998 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.618 2.772 -0.858 1.00 1.01 H new ATOM 0 HD22 LEU A 24 9.063 4.303 -0.068 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.868 4.238 -1.835 1.00 1.01 H new ATOM 404 N SER A 25 12.766 7.106 -3.234 1.00 0.36 N ATOM 405 CA SER A 25 13.691 8.232 -3.229 1.00 0.41 C ATOM 406 C SER A 25 13.015 9.503 -3.741 1.00 0.42 C ATOM 407 O SER A 25 13.650 10.551 -3.882 1.00 0.49 O ATOM 408 CB SER A 25 14.920 7.898 -4.070 1.00 0.50 C ATOM 409 OG SER A 25 15.548 6.723 -3.580 1.00 1.28 O ATOM 0 H SER A 25 12.784 6.547 -4.087 1.00 0.36 H new ATOM 0 HA SER A 25 14.005 8.416 -2.202 1.00 0.41 H new ATOM 0 HB2 SER A 25 14.629 7.756 -5.111 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.623 8.731 -4.046 1.00 0.50 H new ATOM 0 HG SER A 25 15.385 5.982 -4.200 1.00 1.28 H new ATOM 415 N THR A 26 11.720 9.406 -4.010 1.00 0.41 N ATOM 416 CA THR A 26 10.934 10.559 -4.420 1.00 0.46 C ATOM 417 C THR A 26 10.596 11.421 -3.207 1.00 0.45 C ATOM 418 O THR A 26 10.953 11.076 -2.081 1.00 0.45 O ATOM 419 CB THR A 26 9.630 10.116 -5.110 1.00 0.49 C ATOM 420 OG1 THR A 26 8.889 9.252 -4.236 1.00 0.44 O ATOM 421 CG2 THR A 26 9.926 9.392 -6.414 1.00 0.56 C ATOM 0 H THR A 26 11.191 8.536 -3.951 1.00 0.41 H new ATOM 0 HA THR A 26 11.527 11.139 -5.127 1.00 0.46 H new ATOM 0 HB THR A 26 9.040 11.005 -5.334 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.231 8.337 -4.313 1.00 0.44 H new ATOM 0 HG21 THR A 26 8.990 9.089 -6.883 1.00 0.56 H new ATOM 0 HG22 THR A 26 10.469 10.058 -7.085 1.00 0.56 H new ATOM 0 HG23 THR A 26 10.532 8.509 -6.211 1.00 0.56 H new ATOM 429 N ASN A 27 9.898 12.525 -3.427 1.00 0.49 N ATOM 430 CA ASN A 27 9.476 13.389 -2.330 1.00 0.52 C ATOM 431 C ASN A 27 8.174 12.854 -1.740 1.00 0.52 C ATOM 432 O ASN A 27 7.657 13.357 -0.743 1.00 0.67 O ATOM 433 CB ASN A 27 9.299 14.834 -2.821 1.00 0.61 C ATOM 434 CG ASN A 27 9.178 15.837 -1.685 1.00 0.87 C ATOM 435 OD1 ASN A 27 8.077 16.204 -1.270 1.00 1.46 O ATOM 436 ND2 ASN A 27 10.316 16.282 -1.173 1.00 1.53 N ATOM 0 H ASN A 27 9.611 12.845 -4.352 1.00 0.49 H new ATOM 0 HA ASN A 27 10.243 13.392 -1.556 1.00 0.52 H new ATOM 0 HB2 ASN A 27 10.148 15.105 -3.449 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.408 14.893 -3.447 1.00 0.61 H new ATOM 0 HD21 ASN A 27 10.302 16.954 -0.406 1.00 1.53 H new ATOM 0 HD22 ASN A 27 11.206 15.952 -1.546 1.00 1.53 H new ATOM 443 N LEU A 28 7.658 11.811 -2.379 1.00 0.48 N ATOM 444 CA LEU A 28 6.456 11.132 -1.925 1.00 0.47 C ATOM 445 C LEU A 28 6.748 10.341 -0.649 1.00 0.45 C ATOM 446 O LEU A 28 5.923 10.284 0.263 1.00 0.52 O ATOM 447 CB LEU A 28 5.955 10.196 -3.030 1.00 0.47 C ATOM 448 CG LEU A 28 4.628 9.484 -2.762 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.465 10.464 -2.804 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.423 8.378 -3.778 1.00 0.51 C ATOM 0 H LEU A 28 8.063 11.414 -3.227 1.00 0.48 H new ATOM 0 HA LEU A 28 5.685 11.869 -1.703 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.854 10.774 -3.949 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.719 9.440 -3.211 1.00 0.47 H new ATOM 0 HG LEU A 28 4.665 9.049 -1.763 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.534 9.932 -2.610 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.609 11.232 -2.044 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.418 10.931 -3.788 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.476 7.875 -3.582 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.406 8.804 -4.781 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.239 7.659 -3.703 1.00 0.51 H new ATOM 462 N PHE A 29 7.937 9.744 -0.592 1.00 0.42 N ATOM 463 CA PHE A 29 8.356 8.960 0.568 1.00 0.40 C ATOM 464 C PHE A 29 9.569 9.600 1.237 1.00 0.42 C ATOM 465 O PHE A 29 9.572 9.836 2.446 1.00 0.48 O ATOM 466 CB PHE A 29 8.725 7.530 0.157 1.00 0.36 C ATOM 467 CG PHE A 29 7.648 6.793 -0.585 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.609 6.187 0.103 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.661 6.724 -1.969 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.607 5.525 -0.573 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.657 6.064 -2.650 1.00 0.39 C ATOM 472 CZ PHE A 29 5.686 5.394 -1.963 1.00 0.42 C ATOM 0 H PHE A 29 8.630 9.789 -1.339 1.00 0.42 H new ATOM 0 HA PHE A 29 7.519 8.934 1.265 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.618 7.565 -0.467 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.983 6.964 1.052 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.584 6.234 1.182 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.464 7.191 -2.520 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.768 5.111 -0.034 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.640 6.078 -3.730 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.983 4.766 -2.490 1.00 0.42 H new ATOM 482 N HIS A 30 10.590 9.863 0.421 1.00 0.43 N ATOM 483 CA HIS A 30 11.872 10.404 0.877 1.00 0.52 C ATOM 484 C HIS A 30 12.560 9.426 1.827 1.00 0.45 C ATOM 485 O HIS A 30 12.935 9.782 2.942 1.00 0.48 O ATOM 486 CB HIS A 30 11.701 11.775 1.537 1.00 0.70 C ATOM 487 CG HIS A 30 12.931 12.620 1.441 1.00 1.23 C ATOM 488 ND1 HIS A 30 13.797 12.835 2.491 1.00 1.78 N ATOM 489 CD2 HIS A 30 13.443 13.301 0.391 1.00 2.07 C ATOM 490 CE1 HIS A 30 14.788 13.610 2.088 1.00 2.74 C ATOM 491 NE2 HIS A 30 14.595 13.906 0.819 1.00 2.97 N ATOM 0 H HIS A 30 10.550 9.705 -0.586 1.00 0.43 H new ATOM 0 HA HIS A 30 12.506 10.539 0.001 1.00 0.52 H new ATOM 0 HB2 HIS A 30 10.868 12.298 1.067 1.00 0.70 H new ATOM 0 HB3 HIS A 30 11.440 11.638 2.586 1.00 0.70 H new ATOM 0 HD2 HIS A 30 13.021 13.357 -0.602 1.00 2.07 H new ATOM 0 HE1 HIS A 30 15.616 13.944 2.696 1.00 2.74 H new ATOM 0 HE2 HIS A 30 15.205 14.491 0.248 1.00 2.97 H new ATOM 500 N CYS A 31 12.729 8.197 1.335 1.00 0.44 N ATOM 501 CA CYS A 31 13.311 7.085 2.093 1.00 0.45 C ATOM 502 C CYS A 31 12.827 7.028 3.536 1.00 0.40 C ATOM 503 O CYS A 31 13.567 7.337 4.474 1.00 0.47 O ATOM 504 CB CYS A 31 14.847 7.064 2.029 1.00 0.62 C ATOM 505 SG CYS A 31 15.694 8.669 2.190 1.00 1.10 S ATOM 0 H CYS A 31 12.462 7.941 0.384 1.00 0.44 H new ATOM 0 HA CYS A 31 12.949 6.184 1.598 1.00 0.45 H new ATOM 0 HB2 CYS A 31 15.212 6.406 2.818 1.00 0.62 H new ATOM 0 HB3 CYS A 31 15.142 6.617 1.080 1.00 0.62 H new ATOM 510 N LYS A 32 11.572 6.634 3.699 1.00 0.39 N ATOM 511 CA LYS A 32 11.003 6.435 5.018 1.00 0.43 C ATOM 512 C LYS A 32 11.524 5.131 5.617 1.00 0.45 C ATOM 513 O LYS A 32 12.108 4.309 4.909 1.00 0.55 O ATOM 514 CB LYS A 32 9.472 6.428 4.943 1.00 0.50 C ATOM 515 CG LYS A 32 8.888 5.268 4.143 1.00 0.53 C ATOM 516 CD LYS A 32 7.402 5.467 3.885 1.00 0.90 C ATOM 517 CE LYS A 32 6.603 5.450 5.175 1.00 2.05 C ATOM 518 NZ LYS A 32 5.153 5.666 4.935 1.00 2.72 N ATOM 0 H LYS A 32 10.929 6.446 2.930 1.00 0.39 H new ATOM 0 HA LYS A 32 11.306 7.259 5.664 1.00 0.43 H new ATOM 0 HB2 LYS A 32 9.070 6.394 5.956 1.00 0.50 H new ATOM 0 HB3 LYS A 32 9.137 7.365 4.499 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.415 5.177 3.193 1.00 0.53 H new ATOM 0 HG3 LYS A 32 9.043 4.335 4.685 1.00 0.53 H new ATOM 0 HD2 LYS A 32 7.245 6.416 3.372 1.00 0.90 H new ATOM 0 HD3 LYS A 32 7.039 4.682 3.221 1.00 0.90 H new ATOM 0 HE2 LYS A 32 6.749 4.494 5.679 1.00 2.05 H new ATOM 0 HE3 LYS A 32 6.979 6.224 5.844 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 4.621 5.447 5.802 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 4.989 6.658 4.669 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 4.832 5.044 4.166 1.00 2.72 H new ATOM 532 N ASP A 33 11.307 4.955 6.918 1.00 0.49 N ATOM 533 CA ASP A 33 11.784 3.773 7.641 1.00 0.54 C ATOM 534 C ASP A 33 11.320 2.480 6.969 1.00 0.48 C ATOM 535 O ASP A 33 12.118 1.569 6.740 1.00 0.51 O ATOM 536 CB ASP A 33 11.302 3.827 9.093 1.00 0.66 C ATOM 537 CG ASP A 33 11.656 2.582 9.883 1.00 1.28 C ATOM 538 OD1 ASP A 33 12.835 2.442 10.270 1.00 1.57 O ATOM 539 OD2 ASP A 33 10.768 1.727 10.098 1.00 2.06 O ATOM 0 H ASP A 33 10.799 5.621 7.500 1.00 0.49 H new ATOM 0 HA ASP A 33 12.874 3.777 7.623 1.00 0.54 H new ATOM 0 HB2 ASP A 33 11.739 4.697 9.583 1.00 0.66 H new ATOM 0 HB3 ASP A 33 10.221 3.963 9.106 1.00 0.66 H new ATOM 544 N LYS A 34 10.034 2.408 6.647 1.00 0.44 N ATOM 545 CA LYS A 34 9.494 1.269 5.919 1.00 0.41 C ATOM 546 C LYS A 34 8.140 1.612 5.314 1.00 0.38 C ATOM 547 O LYS A 34 7.434 2.489 5.814 1.00 0.43 O ATOM 548 CB LYS A 34 9.399 0.027 6.824 1.00 0.48 C ATOM 549 CG LYS A 34 8.578 0.212 8.093 1.00 0.95 C ATOM 550 CD LYS A 34 7.096 -0.034 7.858 1.00 1.27 C ATOM 551 CE LYS A 34 6.310 0.023 9.157 1.00 1.96 C ATOM 552 NZ LYS A 34 4.875 -0.303 8.952 1.00 2.60 N ATOM 0 H LYS A 34 9.347 3.125 6.879 1.00 0.44 H new ATOM 0 HA LYS A 34 10.178 1.032 5.105 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.968 -0.791 6.247 1.00 0.48 H new ATOM 0 HB3 LYS A 34 10.408 -0.277 7.104 1.00 0.48 H new ATOM 0 HG2 LYS A 34 8.941 -0.471 8.861 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.721 1.224 8.472 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.708 0.711 7.164 1.00 1.27 H new ATOM 0 HD3 LYS A 34 6.957 -1.009 7.390 1.00 1.27 H new ATOM 0 HE2 LYS A 34 6.742 -0.676 9.873 1.00 1.96 H new ATOM 0 HE3 LYS A 34 6.397 1.019 9.591 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 4.374 -0.253 9.862 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 4.456 0.379 8.288 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 4.789 -1.263 8.562 1.00 2.60 H new ATOM 566 N ASN A 35 7.789 0.930 4.235 1.00 0.37 N ATOM 567 CA ASN A 35 6.525 1.175 3.549 1.00 0.36 C ATOM 568 C ASN A 35 6.042 -0.099 2.859 1.00 0.34 C ATOM 569 O ASN A 35 6.781 -0.710 2.085 1.00 0.38 O ATOM 570 CB ASN A 35 6.681 2.300 2.522 1.00 0.36 C ATOM 571 CG ASN A 35 5.352 2.748 1.939 1.00 0.38 C ATOM 572 OD1 ASN A 35 4.676 3.613 2.502 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.977 2.174 0.806 1.00 0.35 N ATOM 0 H ASN A 35 8.362 0.200 3.812 1.00 0.37 H new ATOM 0 HA ASN A 35 5.785 1.479 4.289 1.00 0.36 H new ATOM 0 HB2 ASN A 35 7.172 3.151 2.993 1.00 0.36 H new ATOM 0 HB3 ASN A 35 7.332 1.963 1.715 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.098 2.443 0.364 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.567 1.463 0.375 1.00 0.35 H new ATOM 580 N THR A 36 4.812 -0.503 3.149 1.00 0.32 N ATOM 581 CA THR A 36 4.242 -1.711 2.566 1.00 0.30 C ATOM 582 C THR A 36 3.456 -1.390 1.293 1.00 0.26 C ATOM 583 O THR A 36 2.532 -0.571 1.310 1.00 0.28 O ATOM 584 CB THR A 36 3.304 -2.412 3.568 1.00 0.36 C ATOM 585 OG1 THR A 36 3.920 -2.453 4.863 1.00 0.45 O ATOM 586 CG2 THR A 36 2.979 -3.828 3.112 1.00 0.37 C ATOM 0 H THR A 36 4.188 -0.010 3.787 1.00 0.32 H new ATOM 0 HA THR A 36 5.072 -2.373 2.318 1.00 0.30 H new ATOM 0 HB THR A 36 2.375 -1.844 3.621 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.461 -3.266 4.942 1.00 0.45 H new ATOM 0 HG21 THR A 36 2.316 -4.300 3.837 1.00 0.37 H new ATOM 0 HG22 THR A 36 2.488 -3.793 2.139 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.900 -4.405 3.033 1.00 0.37 H new ATOM 594 N PHE A 37 3.830 -2.027 0.193 1.00 0.21 N ATOM 595 CA PHE A 37 3.116 -1.866 -1.066 1.00 0.18 C ATOM 596 C PHE A 37 2.191 -3.048 -1.309 1.00 0.18 C ATOM 597 O PHE A 37 2.363 -4.120 -0.729 1.00 0.21 O ATOM 598 CB PHE A 37 4.086 -1.735 -2.241 1.00 0.17 C ATOM 599 CG PHE A 37 4.933 -0.496 -2.212 1.00 0.17 C ATOM 600 CD1 PHE A 37 6.105 -0.466 -1.481 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.565 0.631 -2.934 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.896 0.663 -1.467 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.353 1.762 -2.920 1.00 0.20 C ATOM 604 CZ PHE A 37 6.520 1.777 -2.187 1.00 0.20 C ATOM 0 H PHE A 37 4.627 -2.662 0.147 1.00 0.21 H new ATOM 0 HA PHE A 37 2.528 -0.951 -0.993 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.740 -2.607 -2.255 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.516 -1.749 -3.170 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.404 -1.336 -0.915 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.653 0.622 -3.512 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.810 0.675 -0.892 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.056 2.635 -3.483 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.140 2.661 -2.177 1.00 0.20 H new ATOM 614 N ILE A 38 1.218 -2.836 -2.174 1.00 0.18 N ATOM 615 CA ILE A 38 0.245 -3.849 -2.527 1.00 0.17 C ATOM 616 C ILE A 38 0.340 -4.158 -4.015 1.00 0.17 C ATOM 617 O ILE A 38 0.106 -3.283 -4.852 1.00 0.18 O ATOM 618 CB ILE A 38 -1.187 -3.360 -2.204 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.297 -2.988 -0.722 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.223 -4.416 -2.574 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.545 -2.202 -0.382 1.00 0.22 C ATOM 0 H ILE A 38 1.080 -1.947 -2.655 1.00 0.18 H new ATOM 0 HA ILE A 38 0.456 -4.747 -1.947 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.389 -2.472 -2.803 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.279 -3.900 -0.125 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.422 -2.404 -0.437 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.220 -4.046 -2.336 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.160 -4.630 -3.641 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.030 -5.328 -2.009 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.553 -1.975 0.684 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.556 -1.272 -0.951 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.426 -2.792 -0.634 1.00 0.22 H new ATOM 633 N TYR A 39 0.714 -5.386 -4.340 1.00 0.16 N ATOM 634 CA TYR A 39 0.734 -5.831 -5.721 1.00 0.17 C ATOM 635 C TYR A 39 -0.685 -6.141 -6.167 1.00 0.18 C ATOM 636 O TYR A 39 -1.148 -7.283 -6.106 1.00 0.18 O ATOM 637 CB TYR A 39 1.646 -7.049 -5.910 1.00 0.20 C ATOM 638 CG TYR A 39 1.557 -7.664 -7.291 1.00 0.23 C ATOM 639 CD1 TYR A 39 2.074 -7.004 -8.397 1.00 0.26 C ATOM 640 CD2 TYR A 39 0.980 -8.912 -7.485 1.00 0.29 C ATOM 641 CE1 TYR A 39 2.020 -7.565 -9.655 1.00 0.31 C ATOM 642 CE2 TYR A 39 0.918 -9.480 -8.744 1.00 0.34 C ATOM 643 CZ TYR A 39 1.345 -8.786 -9.824 1.00 0.35 C ATOM 644 OH TYR A 39 1.398 -9.364 -11.074 1.00 0.40 O ATOM 0 H TYR A 39 1.008 -6.091 -3.664 1.00 0.16 H new ATOM 0 HA TYR A 39 1.142 -5.031 -6.339 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.678 -6.753 -5.719 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.388 -7.804 -5.168 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.527 -6.032 -8.270 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.573 -9.447 -6.640 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.488 -7.075 -10.496 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.528 -10.480 -8.866 1.00 0.34 H new ATOM 0 HH TYR A 39 0.895 -10.205 -11.067 1.00 0.40 H new ATOM 654 N SER A 40 -1.376 -5.088 -6.547 1.00 0.23 N ATOM 655 CA SER A 40 -2.737 -5.151 -7.036 1.00 0.26 C ATOM 656 C SER A 40 -3.061 -3.815 -7.672 1.00 0.29 C ATOM 657 O SER A 40 -2.614 -2.776 -7.187 1.00 0.50 O ATOM 658 CB SER A 40 -3.730 -5.450 -5.900 1.00 0.25 C ATOM 659 OG SER A 40 -3.564 -6.765 -5.396 1.00 0.93 O ATOM 0 H SER A 40 -0.998 -4.141 -6.524 1.00 0.23 H new ATOM 0 HA SER A 40 -2.826 -5.959 -7.762 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.589 -4.730 -5.094 1.00 0.25 H new ATOM 0 HB3 SER A 40 -4.750 -5.325 -6.265 1.00 0.25 H new ATOM 0 HG SER A 40 -2.863 -7.224 -5.905 1.00 0.93 H new ATOM 665 N ARG A 41 -3.798 -3.834 -8.766 1.00 0.25 N ATOM 666 CA ARG A 41 -4.176 -2.600 -9.424 1.00 0.27 C ATOM 667 C ARG A 41 -5.096 -1.775 -8.531 1.00 0.22 C ATOM 668 O ARG A 41 -5.723 -2.299 -7.611 1.00 0.23 O ATOM 669 CB ARG A 41 -4.852 -2.875 -10.769 1.00 0.33 C ATOM 670 CG ARG A 41 -3.887 -3.266 -11.875 1.00 0.54 C ATOM 671 CD ARG A 41 -2.907 -2.141 -12.155 1.00 1.08 C ATOM 672 NE ARG A 41 -2.097 -2.389 -13.345 1.00 1.30 N ATOM 673 CZ ARG A 41 -1.448 -1.434 -14.008 1.00 2.21 C ATOM 674 NH1 ARG A 41 -1.558 -0.165 -13.628 1.00 2.92 N ATOM 675 NH2 ARG A 41 -0.708 -1.746 -15.065 1.00 2.66 N ATOM 0 H ARG A 41 -4.144 -4.683 -9.214 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.266 -2.031 -9.611 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -5.584 -3.672 -10.640 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -5.401 -1.985 -11.077 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -3.343 -4.166 -11.588 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -4.443 -3.505 -12.782 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -3.456 -1.208 -12.281 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -2.252 -2.011 -11.294 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.025 -3.347 -13.687 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -2.140 0.079 -12.827 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -1.060 0.565 -14.137 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -0.637 -2.717 -15.369 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -0.211 -1.015 -15.573 1.00 2.66 H new ATOM 689 N PRO A 42 -5.177 -0.471 -8.791 1.00 0.22 N ATOM 690 CA PRO A 42 -6.051 0.437 -8.046 1.00 0.21 C ATOM 691 C PRO A 42 -7.514 0.023 -8.129 1.00 0.20 C ATOM 692 O PRO A 42 -8.290 0.279 -7.217 1.00 0.23 O ATOM 693 CB PRO A 42 -5.837 1.791 -8.731 1.00 0.24 C ATOM 694 CG PRO A 42 -5.197 1.479 -10.039 1.00 0.25 C ATOM 695 CD PRO A 42 -4.410 0.228 -9.828 1.00 0.30 C ATOM 0 HA PRO A 42 -5.815 0.446 -6.982 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.783 2.313 -8.872 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.202 2.440 -8.128 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -5.948 1.340 -10.817 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.551 2.296 -10.361 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.336 -0.361 -10.742 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.392 0.441 -9.503 1.00 0.30 H new ATOM 703 N GLU A 43 -7.864 -0.652 -9.211 1.00 0.21 N ATOM 704 CA GLU A 43 -9.235 -1.054 -9.464 1.00 0.25 C ATOM 705 C GLU A 43 -9.719 -2.085 -8.427 1.00 0.23 C ATOM 706 O GLU A 43 -10.675 -1.827 -7.699 1.00 0.24 O ATOM 707 CB GLU A 43 -9.333 -1.599 -10.890 1.00 0.36 C ATOM 708 CG GLU A 43 -8.985 -0.570 -11.954 1.00 0.48 C ATOM 709 CD GLU A 43 -8.564 -1.200 -13.265 1.00 1.60 C ATOM 710 OE1 GLU A 43 -7.363 -1.508 -13.418 1.00 2.36 O ATOM 711 OE2 GLU A 43 -9.425 -1.392 -14.146 1.00 1.99 O ATOM 0 H GLU A 43 -7.206 -0.936 -9.937 1.00 0.21 H new ATOM 0 HA GLU A 43 -9.890 -0.188 -9.366 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -8.666 -2.455 -10.991 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -10.346 -1.962 -11.064 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -9.848 0.074 -12.126 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -8.180 0.067 -11.587 1.00 0.48 H new ATOM 718 N PRO A 44 -9.051 -3.255 -8.322 1.00 0.24 N ATOM 719 CA PRO A 44 -9.425 -4.302 -7.360 1.00 0.26 C ATOM 720 C PRO A 44 -9.247 -3.876 -5.901 1.00 0.24 C ATOM 721 O PRO A 44 -9.861 -4.451 -5.004 1.00 0.27 O ATOM 722 CB PRO A 44 -8.477 -5.459 -7.694 1.00 0.30 C ATOM 723 CG PRO A 44 -7.330 -4.827 -8.397 1.00 0.36 C ATOM 724 CD PRO A 44 -7.906 -3.666 -9.147 1.00 0.27 C ATOM 0 HA PRO A 44 -10.482 -4.554 -7.447 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -8.151 -5.975 -6.791 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -8.967 -6.201 -8.325 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -6.570 -4.498 -7.689 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -6.850 -5.532 -9.075 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.181 -2.860 -9.256 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -8.218 -3.952 -10.151 1.00 0.27 H new ATOM 732 N VAL A 45 -8.421 -2.861 -5.663 1.00 0.20 N ATOM 733 CA VAL A 45 -8.188 -2.385 -4.303 1.00 0.19 C ATOM 734 C VAL A 45 -9.229 -1.336 -3.932 1.00 0.17 C ATOM 735 O VAL A 45 -9.668 -1.249 -2.785 1.00 0.18 O ATOM 736 CB VAL A 45 -6.763 -1.803 -4.132 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.563 -1.235 -2.734 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.717 -2.867 -4.423 1.00 0.23 C ATOM 0 H VAL A 45 -7.907 -2.357 -6.385 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.278 -3.240 -3.633 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.646 -0.988 -4.847 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.553 -0.834 -2.645 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.286 -0.439 -2.558 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.706 -2.025 -1.997 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.721 -2.442 -4.298 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -5.845 -3.701 -3.733 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -5.834 -3.222 -5.447 1.00 0.23 H new ATOM 748 N LYS A 46 -9.650 -0.563 -4.919 1.00 0.15 N ATOM 749 CA LYS A 46 -10.715 0.412 -4.731 1.00 0.15 C ATOM 750 C LYS A 46 -12.040 -0.317 -4.533 1.00 0.17 C ATOM 751 O LYS A 46 -12.930 0.155 -3.823 1.00 0.20 O ATOM 752 CB LYS A 46 -10.788 1.328 -5.957 1.00 0.17 C ATOM 753 CG LYS A 46 -11.580 2.608 -5.761 1.00 0.20 C ATOM 754 CD LYS A 46 -11.561 3.431 -7.037 1.00 0.27 C ATOM 755 CE LYS A 46 -12.081 4.839 -6.823 1.00 0.37 C ATOM 756 NZ LYS A 46 -11.961 5.654 -8.060 1.00 1.36 N ATOM 0 H LYS A 46 -9.269 -0.591 -5.865 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.511 1.019 -3.849 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.773 1.590 -6.256 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.229 0.769 -6.782 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.608 2.371 -5.487 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.156 3.186 -4.940 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.542 3.477 -7.421 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.166 2.934 -7.796 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -13.125 4.800 -6.511 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -11.525 5.315 -6.016 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -12.325 6.612 -7.881 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -10.962 5.710 -8.343 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -12.512 5.211 -8.823 1.00 1.36 H new ATOM 770 N ALA A 47 -12.141 -1.491 -5.153 1.00 0.18 N ATOM 771 CA ALA A 47 -13.334 -2.325 -5.065 1.00 0.22 C ATOM 772 C ALA A 47 -13.542 -2.859 -3.650 1.00 0.22 C ATOM 773 O ALA A 47 -14.639 -3.300 -3.302 1.00 0.27 O ATOM 774 CB ALA A 47 -13.242 -3.474 -6.057 1.00 0.26 C ATOM 0 H ALA A 47 -11.399 -1.889 -5.729 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.196 -1.706 -5.314 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.138 -4.091 -5.983 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.158 -3.076 -7.068 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.365 -4.080 -5.831 1.00 0.26 H new ATOM 780 N ILE A 48 -12.491 -2.820 -2.838 1.00 0.20 N ATOM 781 CA ILE A 48 -12.597 -3.226 -1.444 1.00 0.21 C ATOM 782 C ILE A 48 -13.503 -2.259 -0.695 1.00 0.21 C ATOM 783 O ILE A 48 -14.257 -2.647 0.195 1.00 0.23 O ATOM 784 CB ILE A 48 -11.216 -3.275 -0.749 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.262 -4.171 -1.539 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.359 -3.787 0.680 1.00 0.22 C ATOM 787 CD1 ILE A 48 -8.852 -4.179 -0.997 1.00 0.21 C ATOM 0 H ILE A 48 -11.560 -2.513 -3.121 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.019 -4.231 -1.426 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.805 -2.266 -0.716 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.649 -5.190 -1.537 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.241 -3.840 -2.577 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.379 -3.816 1.156 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.015 -3.122 1.241 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.785 -4.790 0.666 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.232 -4.836 -1.607 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.446 -3.168 -1.024 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.860 -4.539 0.032 1.00 0.21 H new ATOM 799 N CYS A 49 -13.450 -0.998 -1.096 1.00 0.20 N ATOM 800 CA CYS A 49 -14.220 0.043 -0.444 1.00 0.21 C ATOM 801 C CYS A 49 -15.469 0.390 -1.245 1.00 0.25 C ATOM 802 O CYS A 49 -16.119 1.407 -0.998 1.00 0.25 O ATOM 803 CB CYS A 49 -13.330 1.263 -0.260 1.00 0.19 C ATOM 804 SG CYS A 49 -11.879 0.922 0.777 1.00 0.18 S ATOM 0 H CYS A 49 -12.877 -0.672 -1.875 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.558 -0.312 0.530 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.999 1.616 -1.236 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.912 2.068 0.190 1.00 0.19 H new ATOM 809 N LYS A 50 -15.808 -0.477 -2.188 1.00 0.32 N ATOM 810 CA LYS A 50 -16.972 -0.285 -3.040 1.00 0.40 C ATOM 811 C LYS A 50 -18.257 -0.247 -2.215 1.00 0.39 C ATOM 812 O LYS A 50 -18.721 -1.273 -1.718 1.00 0.47 O ATOM 813 CB LYS A 50 -17.048 -1.397 -4.086 1.00 0.54 C ATOM 814 CG LYS A 50 -18.202 -1.250 -5.066 1.00 0.68 C ATOM 815 CD LYS A 50 -18.284 -2.442 -6.011 1.00 0.92 C ATOM 816 CE LYS A 50 -18.467 -3.745 -5.248 1.00 1.58 C ATOM 817 NZ LYS A 50 -19.789 -3.820 -4.573 1.00 2.33 N ATOM 0 H LYS A 50 -15.286 -1.331 -2.384 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.867 0.674 -3.547 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.112 -1.421 -4.644 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.139 -2.356 -3.575 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.138 -1.155 -4.516 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.077 -0.334 -5.643 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -19.116 -2.304 -6.702 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -17.376 -2.495 -6.612 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -18.364 -4.584 -5.936 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -17.676 -3.843 -4.505 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -19.897 -4.751 -4.123 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -19.852 -3.076 -3.849 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -20.545 -3.685 -5.274 1.00 2.33 H new ATOM 831 N GLY A 51 -18.817 0.943 -2.068 1.00 0.36 N ATOM 832 CA GLY A 51 -20.058 1.096 -1.337 1.00 0.38 C ATOM 833 C GLY A 51 -19.860 1.679 0.049 1.00 0.37 C ATOM 834 O GLY A 51 -20.828 1.932 0.769 1.00 0.44 O ATOM 0 H GLY A 51 -18.433 1.810 -2.444 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.730 1.740 -1.904 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.545 0.125 -1.251 1.00 0.38 H new ATOM 838 N ILE A 52 -18.610 1.901 0.430 1.00 0.31 N ATOM 839 CA ILE A 52 -18.310 2.438 1.751 1.00 0.29 C ATOM 840 C ILE A 52 -17.984 3.927 1.651 1.00 0.29 C ATOM 841 O ILE A 52 -16.847 4.306 1.370 1.00 0.27 O ATOM 842 CB ILE A 52 -17.123 1.708 2.419 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.221 0.191 2.220 1.00 0.28 C ATOM 844 CG2 ILE A 52 -17.068 2.040 3.907 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.484 -0.430 2.784 1.00 0.33 C ATOM 0 H ILE A 52 -17.792 1.719 -0.152 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.196 2.285 2.367 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.205 2.053 1.943 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.167 -0.028 1.154 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.357 -0.282 2.687 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -16.227 1.519 4.365 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.942 3.115 4.036 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.995 1.723 4.385 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.474 -1.505 2.601 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.533 -0.245 3.857 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.355 0.012 2.300 1.00 0.33 H new ATOM 857 N ILE A 53 -18.991 4.763 1.852 1.00 0.33 N ATOM 858 CA ILE A 53 -18.831 6.204 1.750 1.00 0.35 C ATOM 859 C ILE A 53 -18.304 6.792 3.057 1.00 0.34 C ATOM 860 O ILE A 53 -17.423 7.653 3.049 1.00 0.35 O ATOM 861 CB ILE A 53 -20.167 6.884 1.365 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.508 6.638 -0.111 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.118 8.382 1.642 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.708 5.188 -0.498 1.00 0.55 C ATOM 0 H ILE A 53 -19.937 4.463 2.089 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.102 6.398 0.964 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.948 6.439 1.982 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.416 7.190 -0.353 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.709 7.054 -0.725 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.069 8.835 1.362 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.934 8.550 2.703 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.316 8.834 1.059 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -20.944 5.124 -1.560 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.795 4.628 -0.295 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.529 4.766 0.082 1.00 0.55 H new ATOM 876 N ALA A 54 -18.837 6.328 4.174 1.00 0.37 N ATOM 877 CA ALA A 54 -18.400 6.817 5.477 1.00 0.38 C ATOM 878 C ALA A 54 -17.127 6.111 5.921 1.00 0.33 C ATOM 879 O ALA A 54 -17.009 4.894 5.771 1.00 0.32 O ATOM 880 CB ALA A 54 -19.499 6.630 6.508 1.00 0.46 C ATOM 0 H ALA A 54 -19.568 5.618 4.209 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.184 7.882 5.388 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -19.158 7.000 7.475 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.385 7.185 6.200 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.744 5.571 6.590 1.00 0.46 H new ATOM 886 N SER A 55 -16.192 6.889 6.469 1.00 0.34 N ATOM 887 CA SER A 55 -14.900 6.378 6.926 1.00 0.34 C ATOM 888 C SER A 55 -15.076 5.164 7.838 1.00 0.32 C ATOM 889 O SER A 55 -15.546 5.282 8.973 1.00 0.36 O ATOM 890 CB SER A 55 -14.127 7.490 7.652 1.00 0.41 C ATOM 891 OG SER A 55 -12.838 7.054 8.060 1.00 1.42 O ATOM 0 H SER A 55 -16.310 7.893 6.608 1.00 0.34 H new ATOM 0 HA SER A 55 -14.329 6.057 6.055 1.00 0.34 H new ATOM 0 HB2 SER A 55 -14.028 8.353 6.994 1.00 0.41 H new ATOM 0 HB3 SER A 55 -14.693 7.817 8.524 1.00 0.41 H new ATOM 0 HG SER A 55 -12.374 7.787 8.517 1.00 1.42 H new ATOM 897 N LYS A 56 -14.717 3.997 7.323 1.00 0.30 N ATOM 898 CA LYS A 56 -14.851 2.755 8.066 1.00 0.31 C ATOM 899 C LYS A 56 -13.655 1.856 7.795 1.00 0.29 C ATOM 900 O LYS A 56 -13.240 1.696 6.647 1.00 0.27 O ATOM 901 CB LYS A 56 -16.147 2.046 7.666 1.00 0.34 C ATOM 902 CG LYS A 56 -16.532 0.890 8.575 1.00 0.40 C ATOM 903 CD LYS A 56 -17.796 0.196 8.087 1.00 0.51 C ATOM 904 CE LYS A 56 -17.538 -0.623 6.833 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.782 -1.236 6.303 1.00 1.71 N ATOM 0 H LYS A 56 -14.328 3.886 6.387 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.887 2.979 9.132 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.959 2.774 7.659 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -16.044 1.673 6.647 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -15.714 0.171 8.618 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -16.686 1.258 9.589 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -18.181 -0.453 8.873 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -18.565 0.941 7.883 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -17.094 0.015 6.069 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -16.814 -1.407 7.055 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.561 -1.786 5.448 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.193 -1.865 7.022 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -19.464 -0.488 6.067 1.00 1.71 H new ATOM 919 N ASN A 57 -13.099 1.283 8.850 1.00 0.36 N ATOM 920 CA ASN A 57 -11.960 0.383 8.718 1.00 0.37 C ATOM 921 C ASN A 57 -12.443 -1.009 8.362 1.00 0.33 C ATOM 922 O ASN A 57 -13.126 -1.655 9.158 1.00 0.41 O ATOM 923 CB ASN A 57 -11.153 0.323 10.019 1.00 0.50 C ATOM 924 CG ASN A 57 -10.497 1.640 10.373 1.00 0.80 C ATOM 925 OD1 ASN A 57 -10.161 2.439 9.500 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.296 1.872 11.660 1.00 1.13 N ATOM 0 H ASN A 57 -13.417 1.424 9.809 1.00 0.36 H new ATOM 0 HA ASN A 57 -11.316 0.765 7.926 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -11.811 0.021 10.834 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -10.385 -0.445 9.928 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -9.848 2.739 11.958 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -10.589 1.184 12.354 1.00 1.13 H new ATOM 933 N VAL A 58 -12.108 -1.469 7.169 1.00 0.28 N ATOM 934 CA VAL A 58 -12.533 -2.788 6.735 1.00 0.27 C ATOM 935 C VAL A 58 -11.328 -3.698 6.512 1.00 0.25 C ATOM 936 O VAL A 58 -10.319 -3.297 5.931 1.00 0.25 O ATOM 937 CB VAL A 58 -13.399 -2.729 5.452 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.524 -1.723 5.607 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.561 -2.410 4.227 1.00 0.57 C ATOM 0 H VAL A 58 -11.548 -0.954 6.489 1.00 0.28 H new ATOM 0 HA VAL A 58 -13.150 -3.201 7.532 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.836 -3.717 5.306 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -15.119 -1.699 4.694 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -15.158 -2.012 6.445 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -14.105 -0.734 5.793 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.202 -2.377 3.346 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -12.076 -1.443 4.360 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.802 -3.181 4.095 1.00 0.57 H new ATOM 949 N LEU A 59 -11.431 -4.911 7.017 1.00 0.28 N ATOM 950 CA LEU A 59 -10.399 -5.910 6.839 1.00 0.26 C ATOM 951 C LEU A 59 -10.758 -6.773 5.638 1.00 0.26 C ATOM 952 O LEU A 59 -11.899 -7.228 5.513 1.00 0.30 O ATOM 953 CB LEU A 59 -10.283 -6.746 8.120 1.00 0.30 C ATOM 954 CG LEU A 59 -9.054 -7.648 8.249 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.246 -8.956 7.513 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.812 -6.934 7.755 1.00 0.67 C ATOM 0 H LEU A 59 -12.232 -5.231 7.562 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.432 -5.443 6.652 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -10.295 -6.066 8.971 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -11.172 -7.371 8.199 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.924 -7.879 9.306 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.354 -9.572 7.626 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.105 -9.483 7.927 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.417 -8.757 6.455 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.949 -7.593 7.855 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.941 -6.662 6.707 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.651 -6.033 8.346 1.00 0.67 H new ATOM 968 N THR A 60 -9.792 -6.997 4.764 1.00 0.22 N ATOM 969 CA THR A 60 -10.057 -7.677 3.507 1.00 0.22 C ATOM 970 C THR A 60 -10.318 -9.159 3.721 1.00 0.24 C ATOM 971 O THR A 60 -9.650 -9.815 4.515 1.00 0.33 O ATOM 972 CB THR A 60 -8.904 -7.492 2.497 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.663 -7.933 3.062 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.784 -6.036 2.073 1.00 0.24 C ATOM 0 H THR A 60 -8.820 -6.719 4.900 1.00 0.22 H new ATOM 0 HA THR A 60 -10.954 -7.218 3.091 1.00 0.22 H new ATOM 0 HB THR A 60 -9.130 -8.096 1.619 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.394 -8.777 2.643 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.965 -5.931 1.361 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.715 -5.715 1.605 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.586 -5.417 2.948 1.00 0.24 H new ATOM 982 N THR A 61 -11.302 -9.671 3.007 1.00 0.27 N ATOM 983 CA THR A 61 -11.688 -11.065 3.115 1.00 0.33 C ATOM 984 C THR A 61 -10.603 -11.992 2.570 1.00 0.33 C ATOM 985 O THR A 61 -10.513 -13.159 2.946 1.00 0.43 O ATOM 986 CB THR A 61 -12.997 -11.302 2.352 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.890 -10.773 1.021 1.00 0.48 O ATOM 988 CG2 THR A 61 -14.159 -10.641 3.073 1.00 0.46 C ATOM 0 H THR A 61 -11.855 -9.135 2.338 1.00 0.27 H new ATOM 0 HA THR A 61 -11.828 -11.292 4.172 1.00 0.33 H new ATOM 0 HB THR A 61 -13.180 -12.375 2.301 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.729 -10.929 0.539 1.00 0.48 H new ATOM 0 HG21 THR A 61 -15.080 -10.819 2.518 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.252 -11.061 4.075 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.980 -9.568 3.144 1.00 0.46 H new ATOM 996 N SER A 62 -9.770 -11.450 1.704 1.00 0.28 N ATOM 997 CA SER A 62 -8.735 -12.224 1.041 1.00 0.31 C ATOM 998 C SER A 62 -7.365 -11.607 1.279 1.00 0.26 C ATOM 999 O SER A 62 -7.256 -10.424 1.615 1.00 0.24 O ATOM 1000 CB SER A 62 -9.015 -12.296 -0.460 1.00 0.41 C ATOM 1001 OG SER A 62 -10.337 -12.735 -0.716 1.00 1.09 O ATOM 0 H SER A 62 -9.790 -10.465 1.440 1.00 0.28 H new ATOM 0 HA SER A 62 -8.740 -13.231 1.458 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.862 -11.314 -0.908 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.306 -12.976 -0.932 1.00 0.41 H new ATOM 0 HG SER A 62 -10.489 -12.770 -1.684 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.329 -12.415 1.126 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.966 -11.942 1.252 1.00 0.23 C ATOM 1009 C GLU A 63 -4.511 -11.366 -0.079 1.00 0.24 C ATOM 1010 O GLU A 63 -4.861 -11.888 -1.143 1.00 0.35 O ATOM 1011 CB GLU A 63 -4.001 -13.064 1.682 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.558 -14.028 2.723 1.00 0.34 C ATOM 1013 CD GLU A 63 -5.568 -15.001 2.147 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -5.151 -15.992 1.514 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -6.780 -14.793 2.347 1.00 2.06 O ATOM 0 H GLU A 63 -6.411 -13.409 0.913 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.948 -11.176 2.027 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.713 -13.634 0.798 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -3.093 -12.610 2.078 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -3.736 -14.588 3.169 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.027 -13.458 3.525 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.752 -10.292 -0.020 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.218 -9.673 -1.216 1.00 0.17 C ATOM 1024 C PHE A 64 -1.711 -9.836 -1.250 1.00 0.16 C ATOM 1025 O PHE A 64 -1.087 -10.137 -0.230 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.590 -8.191 -1.274 1.00 0.19 C ATOM 1027 CG PHE A 64 -5.051 -7.939 -1.530 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.988 -8.164 -0.534 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.491 -7.478 -2.762 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.332 -7.934 -0.760 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.834 -7.245 -2.993 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.750 -7.475 -2.016 1.00 0.28 C ATOM 0 H PHE A 64 -3.489 -9.827 0.849 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.652 -10.167 -2.085 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.309 -7.719 -0.332 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -3.005 -7.710 -2.058 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.664 -8.524 0.431 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.775 -7.299 -3.551 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -8.054 -8.107 0.025 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.157 -6.878 -3.956 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.799 -7.304 -2.207 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.132 -9.638 -2.416 1.00 0.17 N ATOM 1043 CA TYR A 65 0.299 -9.797 -2.582 1.00 0.16 C ATOM 1044 C TYR A 65 1.010 -8.535 -2.126 1.00 0.16 C ATOM 1045 O TYR A 65 1.055 -7.549 -2.846 1.00 0.18 O ATOM 1046 CB TYR A 65 0.634 -10.103 -4.041 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.108 -11.297 -4.595 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.170 -12.580 -4.143 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.084 -11.141 -5.567 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.508 -13.675 -4.644 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.765 -12.229 -6.073 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.474 -13.492 -5.615 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.151 -14.580 -6.116 1.00 0.66 O ATOM 0 H TYR A 65 -1.630 -9.366 -3.264 1.00 0.17 H new ATOM 0 HA TYR A 65 0.638 -10.634 -1.972 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.403 -9.228 -4.649 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.706 -10.279 -4.130 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.928 -12.725 -3.388 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.315 -10.152 -5.934 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.284 -14.667 -4.279 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.525 -12.089 -6.827 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.797 -14.281 -6.790 1.00 0.66 H new ATOM 1063 N LEU A 66 1.547 -8.563 -0.924 1.00 0.15 N ATOM 1064 CA LEU A 66 2.134 -7.374 -0.329 1.00 0.16 C ATOM 1065 C LEU A 66 3.643 -7.374 -0.499 1.00 0.16 C ATOM 1066 O LEU A 66 4.273 -8.435 -0.563 1.00 0.20 O ATOM 1067 CB LEU A 66 1.766 -7.296 1.151 1.00 0.18 C ATOM 1068 CG LEU A 66 0.265 -7.347 1.436 1.00 0.19 C ATOM 1069 CD1 LEU A 66 0.001 -7.265 2.929 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.461 -6.229 0.702 1.00 0.19 C ATOM 0 H LEU A 66 1.591 -9.396 -0.337 1.00 0.15 H new ATOM 0 HA LEU A 66 1.736 -6.498 -0.841 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.251 -8.119 1.676 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.170 -6.372 1.564 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.119 -8.300 1.071 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.073 -7.303 3.111 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.484 -8.104 3.430 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.402 -6.329 3.319 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.528 -6.284 0.919 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.073 -5.265 1.032 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.303 -6.336 -0.371 1.00 0.19 H new ATOM 1082 N SER A 67 4.212 -6.185 -0.598 1.00 0.17 N ATOM 1083 CA SER A 67 5.644 -6.035 -0.708 1.00 0.18 C ATOM 1084 C SER A 67 6.139 -5.018 0.313 1.00 0.22 C ATOM 1085 O SER A 67 5.856 -3.825 0.204 1.00 0.26 O ATOM 1086 CB SER A 67 5.999 -5.591 -2.122 1.00 0.22 C ATOM 1087 OG SER A 67 5.413 -6.454 -3.084 1.00 0.29 O ATOM 0 H SER A 67 3.695 -5.306 -0.604 1.00 0.17 H new ATOM 0 HA SER A 67 6.129 -6.990 -0.505 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.654 -4.570 -2.285 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.082 -5.585 -2.245 1.00 0.22 H new ATOM 0 HG SER A 67 6.069 -6.660 -3.782 1.00 0.29 H new ATOM 1093 N ASP A 68 6.865 -5.494 1.309 1.00 0.26 N ATOM 1094 CA ASP A 68 7.373 -4.629 2.364 1.00 0.34 C ATOM 1095 C ASP A 68 8.740 -4.088 2.015 1.00 0.29 C ATOM 1096 O ASP A 68 9.704 -4.843 1.896 1.00 0.34 O ATOM 1097 CB ASP A 68 7.473 -5.371 3.695 1.00 0.46 C ATOM 1098 CG ASP A 68 6.272 -5.160 4.590 1.00 1.12 C ATOM 1099 OD1 ASP A 68 6.004 -3.996 4.960 1.00 1.12 O ATOM 1100 OD2 ASP A 68 5.626 -6.159 4.963 1.00 2.01 O ATOM 0 H ASP A 68 7.118 -6.477 1.411 1.00 0.26 H new ATOM 0 HA ASP A 68 6.665 -3.806 2.460 1.00 0.34 H new ATOM 0 HB2 ASP A 68 7.590 -6.437 3.501 1.00 0.46 H new ATOM 0 HB3 ASP A 68 8.370 -5.043 4.219 1.00 0.46 H new ATOM 1105 N CYS A 69 8.826 -2.787 1.845 1.00 0.28 N ATOM 1106 CA CYS A 69 10.110 -2.143 1.687 1.00 0.26 C ATOM 1107 C CYS A 69 10.566 -1.585 3.019 1.00 0.30 C ATOM 1108 O CYS A 69 9.899 -0.738 3.609 1.00 0.35 O ATOM 1109 CB CYS A 69 10.031 -1.042 0.635 1.00 0.25 C ATOM 1110 SG CYS A 69 10.069 -1.674 -1.068 1.00 0.62 S ATOM 0 H CYS A 69 8.025 -2.157 1.813 1.00 0.28 H new ATOM 0 HA CYS A 69 10.839 -2.878 1.346 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.114 -0.472 0.784 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.862 -0.352 0.778 1.00 0.25 H new ATOM 1115 N ASN A 70 11.694 -2.074 3.489 1.00 0.35 N ATOM 1116 CA ASN A 70 12.234 -1.654 4.771 1.00 0.42 C ATOM 1117 C ASN A 70 13.624 -1.100 4.575 1.00 0.44 C ATOM 1118 O ASN A 70 14.322 -1.478 3.630 1.00 0.49 O ATOM 1119 CB ASN A 70 12.290 -2.825 5.764 1.00 0.51 C ATOM 1120 CG ASN A 70 10.945 -3.494 5.998 1.00 0.97 C ATOM 1121 OD1 ASN A 70 10.160 -3.070 6.845 1.00 1.93 O ATOM 1122 ND2 ASN A 70 10.684 -4.570 5.270 1.00 1.08 N ATOM 0 H ASN A 70 12.260 -2.768 3.001 1.00 0.35 H new ATOM 0 HA ASN A 70 11.577 -0.887 5.181 1.00 0.42 H new ATOM 0 HB2 ASN A 70 12.996 -3.569 5.395 1.00 0.51 H new ATOM 0 HB3 ASN A 70 12.676 -2.463 6.717 1.00 0.51 H new ATOM 0 HD21 ASN A 70 9.808 -5.076 5.403 1.00 1.08 H new ATOM 0 HD22 ASN A 70 11.359 -4.893 4.577 1.00 1.08 H new ATOM 1129 N VAL A 71 14.015 -0.196 5.449 1.00 0.47 N ATOM 1130 CA VAL A 71 15.353 0.349 5.417 1.00 0.51 C ATOM 1131 C VAL A 71 16.339 -0.675 5.953 1.00 0.56 C ATOM 1132 O VAL A 71 16.055 -1.406 6.907 1.00 0.60 O ATOM 1133 CB VAL A 71 15.440 1.671 6.211 1.00 0.54 C ATOM 1134 CG1 VAL A 71 15.294 1.433 7.706 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.732 2.412 5.897 1.00 0.82 C ATOM 0 H VAL A 71 13.423 0.176 6.191 1.00 0.47 H new ATOM 0 HA VAL A 71 15.610 0.576 4.382 1.00 0.51 H new ATOM 0 HB VAL A 71 14.607 2.300 5.897 1.00 0.54 H new ATOM 0 HG11 VAL A 71 15.360 2.384 8.234 1.00 0.90 H new ATOM 0 HG12 VAL A 71 14.327 0.972 7.908 1.00 0.90 H new ATOM 0 HG13 VAL A 71 16.090 0.772 8.049 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.768 3.339 6.469 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.584 1.787 6.165 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.770 2.641 4.832 1.00 0.82 H new ATOM 1145 N THR A 72 17.476 -0.749 5.298 1.00 0.58 N ATOM 1146 CA THR A 72 18.494 -1.715 5.636 1.00 0.64 C ATOM 1147 C THR A 72 19.436 -1.163 6.701 1.00 0.75 C ATOM 1148 O THR A 72 19.033 -0.410 7.592 1.00 0.93 O ATOM 1149 CB THR A 72 19.302 -2.084 4.379 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.842 -0.894 3.791 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.435 -2.805 3.358 1.00 0.78 C ATOM 0 H THR A 72 17.720 -0.141 4.516 1.00 0.58 H new ATOM 0 HA THR A 72 18.003 -2.604 6.032 1.00 0.64 H new ATOM 0 HB THR A 72 20.109 -2.754 4.677 1.00 0.71 H new ATOM 0 HG1 THR A 72 19.142 -0.434 3.282 1.00 0.78 H new ATOM 0 HG21 THR A 72 19.034 -3.052 2.482 1.00 0.78 H new ATOM 0 HG22 THR A 72 18.040 -3.721 3.798 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.608 -2.159 3.062 1.00 0.78 H new ATOM 1159 N SER A 73 20.695 -1.528 6.588 1.00 0.86 N ATOM 1160 CA SER A 73 21.716 -1.087 7.516 1.00 1.02 C ATOM 1161 C SER A 73 22.243 0.280 7.107 1.00 0.90 C ATOM 1162 O SER A 73 22.981 0.928 7.848 1.00 0.99 O ATOM 1163 CB SER A 73 22.839 -2.118 7.560 1.00 1.33 C ATOM 1164 OG SER A 73 22.952 -2.792 6.314 1.00 1.87 O ATOM 0 H SER A 73 21.041 -2.140 5.849 1.00 0.86 H new ATOM 0 HA SER A 73 21.288 -0.994 8.514 1.00 1.02 H new ATOM 0 HB2 SER A 73 23.782 -1.626 7.800 1.00 1.33 H new ATOM 0 HB3 SER A 73 22.646 -2.840 8.353 1.00 1.33 H new ATOM 0 HG SER A 73 23.679 -3.448 6.362 1.00 1.87 H new ATOM 1170 N ARG A 74 21.854 0.711 5.917 1.00 0.81 N ATOM 1171 CA ARG A 74 22.203 2.018 5.423 1.00 0.76 C ATOM 1172 C ARG A 74 20.937 2.842 5.208 1.00 0.68 C ATOM 1173 O ARG A 74 19.962 2.351 4.632 1.00 0.63 O ATOM 1174 CB ARG A 74 22.996 1.893 4.120 1.00 0.88 C ATOM 1175 CG ARG A 74 23.011 3.173 3.313 1.00 1.40 C ATOM 1176 CD ARG A 74 23.772 3.019 2.009 1.00 1.55 C ATOM 1177 NE ARG A 74 23.632 4.202 1.164 1.00 2.35 N ATOM 1178 CZ ARG A 74 24.127 4.305 -0.064 1.00 2.74 C ATOM 1179 NH1 ARG A 74 24.866 3.328 -0.573 1.00 2.41 N ATOM 1180 NH2 ARG A 74 23.896 5.399 -0.774 1.00 3.76 N ATOM 0 H ARG A 74 21.288 0.159 5.273 1.00 0.81 H new ATOM 0 HA ARG A 74 22.829 2.526 6.157 1.00 0.76 H new ATOM 0 HB2 ARG A 74 24.021 1.603 4.351 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.568 1.094 3.515 1.00 0.88 H new ATOM 0 HG2 ARG A 74 21.987 3.478 3.100 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.464 3.968 3.905 1.00 1.40 H new ATOM 0 HD2 ARG A 74 24.827 2.845 2.221 1.00 1.55 H new ATOM 0 HD3 ARG A 74 23.405 2.143 1.474 1.00 1.55 H new ATOM 0 HE ARG A 74 23.121 5.000 1.541 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.057 2.492 -0.021 1.00 2.41 H new ATOM 0 HH12 ARG A 74 25.243 3.413 -1.517 1.00 2.41 H new ATOM 0 HH21 ARG A 74 23.340 6.157 -0.377 1.00 3.76 H new ATOM 0 HH22 ARG A 74 24.274 5.484 -1.718 1.00 3.76 H new ATOM 1194 N PRO A 75 20.927 4.093 5.689 1.00 0.74 N ATOM 1195 CA PRO A 75 19.786 4.994 5.522 1.00 0.74 C ATOM 1196 C PRO A 75 19.455 5.221 4.052 1.00 0.65 C ATOM 1197 O PRO A 75 20.352 5.394 3.225 1.00 0.70 O ATOM 1198 CB PRO A 75 20.246 6.301 6.174 1.00 0.92 C ATOM 1199 CG PRO A 75 21.360 5.912 7.083 1.00 1.05 C ATOM 1200 CD PRO A 75 22.026 4.731 6.437 1.00 0.92 C ATOM 0 HA PRO A 75 18.879 4.587 5.969 1.00 0.74 H new ATOM 0 HB2 PRO A 75 20.581 7.018 5.425 1.00 0.92 H new ATOM 0 HB3 PRO A 75 19.433 6.773 6.726 1.00 0.92 H new ATOM 0 HG2 PRO A 75 22.064 6.734 7.213 1.00 1.05 H new ATOM 0 HG3 PRO A 75 20.984 5.655 8.073 1.00 1.05 H new ATOM 0 HD2 PRO A 75 22.838 5.037 5.777 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.455 4.056 7.177 1.00 0.92 H new ATOM 1208 N CYS A 76 18.166 5.196 3.737 1.00 0.57 N ATOM 1209 CA CYS A 76 17.684 5.399 2.374 1.00 0.52 C ATOM 1210 C CYS A 76 18.157 4.292 1.426 1.00 0.51 C ATOM 1211 O CYS A 76 18.153 4.457 0.208 1.00 0.55 O ATOM 1212 CB CYS A 76 18.096 6.786 1.858 1.00 0.58 C ATOM 1213 SG CYS A 76 17.530 8.170 2.916 1.00 1.55 S ATOM 0 H CYS A 76 17.424 5.035 4.418 1.00 0.57 H new ATOM 0 HA CYS A 76 16.595 5.349 2.399 1.00 0.52 H new ATOM 0 HB2 CYS A 76 19.182 6.825 1.777 1.00 0.58 H new ATOM 0 HB3 CYS A 76 17.696 6.923 0.853 1.00 0.58 H new ATOM 1218 N LYS A 77 18.550 3.158 1.993 1.00 0.50 N ATOM 1219 CA LYS A 77 18.792 1.957 1.213 1.00 0.50 C ATOM 1220 C LYS A 77 17.701 0.947 1.549 1.00 0.47 C ATOM 1221 O LYS A 77 17.549 0.554 2.707 1.00 0.51 O ATOM 1222 CB LYS A 77 20.180 1.380 1.512 1.00 0.60 C ATOM 1223 CG LYS A 77 20.523 0.121 0.724 1.00 1.30 C ATOM 1224 CD LYS A 77 20.992 0.417 -0.700 1.00 1.57 C ATOM 1225 CE LYS A 77 19.858 0.859 -1.615 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.311 1.017 -3.023 1.00 2.60 N ATOM 0 H LYS A 77 18.708 3.048 2.995 1.00 0.50 H new ATOM 0 HA LYS A 77 18.766 2.194 0.149 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.930 2.142 1.300 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.245 1.156 2.577 1.00 0.60 H new ATOM 0 HG2 LYS A 77 21.303 -0.429 1.250 1.00 1.30 H new ATOM 0 HG3 LYS A 77 19.647 -0.526 0.685 1.00 1.30 H new ATOM 0 HD2 LYS A 77 21.755 1.195 -0.672 1.00 1.57 H new ATOM 0 HD3 LYS A 77 21.462 -0.475 -1.116 1.00 1.57 H new ATOM 0 HE2 LYS A 77 19.051 0.127 -1.573 1.00 2.24 H new ATOM 0 HE3 LYS A 77 19.450 1.804 -1.257 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 20.204 2.010 -3.313 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 21.311 0.740 -3.099 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 19.736 0.411 -3.643 1.00 2.60 H new ATOM 1240 N TYR A 78 16.949 0.528 0.540 1.00 0.45 N ATOM 1241 CA TYR A 78 15.704 -0.188 0.766 1.00 0.47 C ATOM 1242 C TYR A 78 15.830 -1.659 0.408 1.00 0.52 C ATOM 1243 O TYR A 78 16.536 -2.021 -0.534 1.00 0.59 O ATOM 1244 CB TYR A 78 14.602 0.452 -0.082 1.00 0.48 C ATOM 1245 CG TYR A 78 14.807 1.938 -0.300 1.00 0.65 C ATOM 1246 CD1 TYR A 78 14.387 2.870 0.638 1.00 0.91 C ATOM 1247 CD2 TYR A 78 15.433 2.403 -1.451 1.00 0.74 C ATOM 1248 CE1 TYR A 78 14.585 4.222 0.433 1.00 1.15 C ATOM 1249 CE2 TYR A 78 15.633 3.752 -1.662 1.00 0.99 C ATOM 1250 CZ TYR A 78 15.206 4.658 -0.720 1.00 1.17 C ATOM 1251 OH TYR A 78 15.411 6.004 -0.926 1.00 1.44 O ATOM 0 H TYR A 78 17.181 0.672 -0.443 1.00 0.45 H new ATOM 0 HA TYR A 78 15.458 -0.123 1.826 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.559 -0.049 -1.049 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.639 0.291 0.403 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.899 2.534 1.541 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.769 1.695 -2.194 1.00 0.74 H new ATOM 0 HE1 TYR A 78 14.255 4.936 1.173 1.00 1.15 H new ATOM 0 HE2 TYR A 78 16.122 4.094 -2.562 1.00 0.99 H new ATOM 0 HH TYR A 78 15.540 6.173 -1.883 1.00 1.44 H new ATOM 1261 N LYS A 79 15.150 -2.497 1.174 1.00 0.53 N ATOM 1262 CA LYS A 79 15.114 -3.925 0.914 1.00 0.58 C ATOM 1263 C LYS A 79 13.666 -4.379 0.764 1.00 0.46 C ATOM 1264 O LYS A 79 12.805 -4.000 1.563 1.00 0.47 O ATOM 1265 CB LYS A 79 15.784 -4.683 2.059 1.00 0.78 C ATOM 1266 CG LYS A 79 16.431 -5.989 1.634 1.00 1.39 C ATOM 1267 CD LYS A 79 17.548 -5.744 0.630 1.00 2.02 C ATOM 1268 CE LYS A 79 18.366 -6.999 0.383 1.00 2.63 C ATOM 1269 NZ LYS A 79 19.084 -7.440 1.608 1.00 3.52 N ATOM 0 H LYS A 79 14.610 -2.207 1.989 1.00 0.53 H new ATOM 0 HA LYS A 79 15.655 -4.136 -0.009 1.00 0.58 H new ATOM 0 HB2 LYS A 79 16.542 -4.043 2.511 1.00 0.78 H new ATOM 0 HB3 LYS A 79 15.041 -4.890 2.829 1.00 0.78 H new ATOM 0 HG2 LYS A 79 16.830 -6.503 2.509 1.00 1.39 H new ATOM 0 HG3 LYS A 79 15.680 -6.645 1.194 1.00 1.39 H new ATOM 0 HD2 LYS A 79 17.122 -5.396 -0.311 1.00 2.02 H new ATOM 0 HD3 LYS A 79 18.200 -4.951 0.997 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.710 -7.798 0.038 1.00 2.63 H new ATOM 0 HE3 LYS A 79 19.087 -6.812 -0.413 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 19.861 -8.079 1.344 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 19.470 -6.610 2.102 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 18.423 -7.940 2.236 1.00 3.52 H new ATOM 1283 N LEU A 80 13.405 -5.192 -0.248 1.00 0.45 N ATOM 1284 CA LEU A 80 12.045 -5.612 -0.564 1.00 0.41 C ATOM 1285 C LEU A 80 11.737 -6.974 0.064 1.00 0.42 C ATOM 1286 O LEU A 80 12.625 -7.811 0.222 1.00 0.49 O ATOM 1287 CB LEU A 80 11.868 -5.648 -2.091 1.00 0.50 C ATOM 1288 CG LEU A 80 10.429 -5.741 -2.615 1.00 0.58 C ATOM 1289 CD1 LEU A 80 9.957 -7.184 -2.681 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.497 -4.916 -1.746 1.00 0.74 C ATOM 0 H LEU A 80 14.118 -5.576 -0.867 1.00 0.45 H new ATOM 0 HA LEU A 80 11.339 -4.896 -0.144 1.00 0.41 H new ATOM 0 HB2 LEU A 80 12.325 -4.750 -2.508 1.00 0.50 H new ATOM 0 HB3 LEU A 80 12.427 -6.500 -2.479 1.00 0.50 H new ATOM 0 HG LEU A 80 10.413 -5.339 -3.628 1.00 0.58 H new ATOM 0 HD11 LEU A 80 8.934 -7.215 -3.056 1.00 1.34 H new ATOM 0 HD12 LEU A 80 10.606 -7.749 -3.350 1.00 1.34 H new ATOM 0 HD13 LEU A 80 9.992 -7.624 -1.684 1.00 1.34 H new ATOM 0 HD21 LEU A 80 8.480 -4.992 -2.130 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.527 -5.290 -0.723 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.814 -3.873 -1.761 1.00 0.74 H new ATOM 1302 N LYS A 81 10.475 -7.173 0.428 1.00 0.40 N ATOM 1303 CA LYS A 81 10.014 -8.419 1.031 1.00 0.44 C ATOM 1304 C LYS A 81 8.651 -8.799 0.461 1.00 0.38 C ATOM 1305 O LYS A 81 7.676 -8.071 0.647 1.00 0.36 O ATOM 1306 CB LYS A 81 9.891 -8.262 2.548 1.00 0.49 C ATOM 1307 CG LYS A 81 9.567 -9.559 3.276 1.00 0.60 C ATOM 1308 CD LYS A 81 9.015 -9.286 4.664 1.00 0.71 C ATOM 1309 CE LYS A 81 7.652 -8.618 4.582 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.170 -8.146 5.905 1.00 1.87 N ATOM 0 H LYS A 81 9.741 -6.474 0.313 1.00 0.40 H new ATOM 0 HA LYS A 81 10.740 -9.200 0.805 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.826 -7.861 2.939 1.00 0.49 H new ATOM 0 HB3 LYS A 81 9.114 -7.530 2.766 1.00 0.49 H new ATOM 0 HG2 LYS A 81 8.841 -10.131 2.699 1.00 0.60 H new ATOM 0 HG3 LYS A 81 10.466 -10.170 3.353 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.934 -10.221 5.218 1.00 0.71 H new ATOM 0 HD3 LYS A 81 9.705 -8.648 5.215 1.00 0.71 H new ATOM 0 HE2 LYS A 81 7.706 -7.773 3.896 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.931 -9.321 4.166 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 6.356 -7.512 5.772 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 6.882 -8.963 6.481 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 7.933 -7.632 6.389 1.00 1.87 H new ATOM 1324 N LYS A 82 8.582 -9.920 -0.237 1.00 0.40 N ATOM 1325 CA LYS A 82 7.326 -10.380 -0.802 1.00 0.37 C ATOM 1326 C LYS A 82 6.568 -11.248 0.195 1.00 0.36 C ATOM 1327 O LYS A 82 7.080 -12.263 0.668 1.00 0.46 O ATOM 1328 CB LYS A 82 7.583 -11.171 -2.080 1.00 0.47 C ATOM 1329 CG LYS A 82 8.468 -10.442 -3.072 1.00 0.54 C ATOM 1330 CD LYS A 82 8.541 -11.185 -4.386 1.00 0.76 C ATOM 1331 CE LYS A 82 9.465 -10.489 -5.370 1.00 0.90 C ATOM 1332 NZ LYS A 82 10.896 -10.695 -5.027 1.00 1.10 N ATOM 0 H LYS A 82 9.380 -10.527 -0.425 1.00 0.40 H new ATOM 0 HA LYS A 82 6.718 -9.505 -1.035 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.047 -12.123 -1.822 1.00 0.47 H new ATOM 0 HB3 LYS A 82 6.629 -11.399 -2.555 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.080 -9.437 -3.240 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.470 -10.332 -2.657 1.00 0.54 H new ATOM 0 HD2 LYS A 82 8.894 -12.201 -4.211 1.00 0.76 H new ATOM 0 HD3 LYS A 82 7.543 -11.264 -4.816 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.275 -10.865 -6.375 1.00 0.90 H new ATOM 0 HE3 LYS A 82 9.245 -9.422 -5.382 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.494 -10.219 -5.732 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.088 -10.298 -4.085 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 11.109 -11.713 -5.024 1.00 1.10 H new ATOM 1346 N SER A 83 5.352 -10.841 0.519 1.00 0.31 N ATOM 1347 CA SER A 83 4.504 -11.607 1.416 1.00 0.36 C ATOM 1348 C SER A 83 3.061 -11.590 0.915 1.00 0.31 C ATOM 1349 O SER A 83 2.746 -10.881 -0.041 1.00 0.50 O ATOM 1350 CB SER A 83 4.593 -11.028 2.829 1.00 0.46 C ATOM 1351 OG SER A 83 5.944 -10.964 3.265 1.00 1.12 O ATOM 0 H SER A 83 4.929 -9.980 0.172 1.00 0.31 H new ATOM 0 HA SER A 83 4.846 -12.642 1.440 1.00 0.36 H new ATOM 0 HB2 SER A 83 4.153 -10.031 2.846 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.013 -11.644 3.516 1.00 0.46 H new ATOM 0 HG SER A 83 5.978 -11.063 4.239 1.00 1.12 H new ATOM 1357 N THR A 84 2.198 -12.380 1.536 1.00 0.25 N ATOM 1358 CA THR A 84 0.790 -12.407 1.168 1.00 0.23 C ATOM 1359 C THR A 84 -0.083 -12.437 2.419 1.00 0.22 C ATOM 1360 O THR A 84 -0.077 -13.413 3.171 1.00 0.29 O ATOM 1361 CB THR A 84 0.462 -13.629 0.282 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.520 -13.832 -0.671 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.856 -13.429 -0.456 1.00 0.27 C ATOM 0 H THR A 84 2.448 -13.011 2.297 1.00 0.25 H new ATOM 0 HA THR A 84 0.581 -11.502 0.598 1.00 0.23 H new ATOM 0 HB THR A 84 0.369 -14.505 0.925 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.311 -14.608 -1.231 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.064 -14.303 -1.073 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.661 -13.295 0.267 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.787 -12.545 -1.091 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.825 -11.363 2.640 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.673 -11.244 3.817 1.00 0.18 C ATOM 1373 C ASN A 85 -2.851 -10.336 3.500 1.00 0.17 C ATOM 1374 O ASN A 85 -2.809 -9.583 2.525 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.889 -10.667 5.000 1.00 0.21 C ATOM 1376 CG ASN A 85 -1.413 -11.140 6.347 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -2.601 -11.420 6.510 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.525 -11.236 7.326 1.00 0.37 N ATOM 0 H ASN A 85 -0.857 -10.557 2.016 1.00 0.18 H new ATOM 0 HA ASN A 85 -2.029 -12.237 4.090 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.160 -10.948 4.905 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -0.932 -9.579 4.961 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.818 -11.550 8.251 1.00 0.37 H new ATOM 0 HD22 ASN A 85 0.451 -10.995 7.154 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.906 -10.427 4.292 1.00 0.19 N ATOM 1386 CA LYS A 86 -5.018 -9.504 4.177 1.00 0.19 C ATOM 1387 C LYS A 86 -4.586 -8.157 4.741 1.00 0.18 C ATOM 1388 O LYS A 86 -3.500 -8.044 5.308 1.00 0.21 O ATOM 1389 CB LYS A 86 -6.225 -10.031 4.955 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.465 -11.526 4.802 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.735 -11.937 5.515 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.888 -13.447 5.615 1.00 0.55 C ATOM 1393 NZ LYS A 86 -8.295 -14.066 4.326 1.00 1.17 N ATOM 0 H LYS A 86 -4.014 -11.132 5.021 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.304 -9.398 3.130 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -6.089 -9.803 6.012 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -7.116 -9.496 4.626 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.536 -11.782 3.745 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.618 -12.079 5.208 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.740 -11.508 6.517 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.594 -11.523 4.987 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -6.944 -13.883 5.942 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -8.630 -13.684 6.378 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -8.565 -15.057 4.487 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -9.105 -13.546 3.932 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -7.500 -14.028 3.657 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.412 -7.139 4.598 1.00 0.17 N ATOM 1408 CA PHE A 87 -5.108 -5.850 5.196 1.00 0.18 C ATOM 1409 C PHE A 87 -6.376 -5.062 5.476 1.00 0.18 C ATOM 1410 O PHE A 87 -7.411 -5.284 4.852 1.00 0.19 O ATOM 1411 CB PHE A 87 -4.136 -5.037 4.325 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.567 -4.838 2.893 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.572 -3.938 2.582 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.989 -5.568 1.866 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.988 -3.765 1.277 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.404 -5.399 0.556 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.319 -4.445 0.243 1.00 0.20 C ATOM 0 H PHE A 87 -6.290 -7.176 4.079 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.614 -6.043 6.148 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.994 -4.059 4.784 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -3.166 -5.535 4.330 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -6.036 -3.364 3.370 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -3.206 -6.277 2.090 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.819 -3.114 1.052 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.998 -6.029 -0.221 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.531 -4.211 -0.790 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.291 -4.168 6.443 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.409 -3.335 6.820 1.00 0.20 C ATOM 1429 C CYS A 88 -7.223 -1.949 6.219 1.00 0.20 C ATOM 1430 O CYS A 88 -6.207 -1.290 6.466 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.503 -3.244 8.346 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.990 -2.390 8.962 1.00 0.49 S ATOM 0 H CYS A 88 -5.444 -4.002 6.987 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.334 -3.771 6.443 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.481 -4.252 8.759 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.620 -2.726 8.721 1.00 0.25 H new ATOM 1437 N VAL A 89 -8.169 -1.528 5.404 1.00 0.21 N ATOM 1438 CA VAL A 89 -8.121 -0.207 4.806 1.00 0.22 C ATOM 1439 C VAL A 89 -9.278 0.640 5.304 1.00 0.24 C ATOM 1440 O VAL A 89 -10.388 0.140 5.500 1.00 0.24 O ATOM 1441 CB VAL A 89 -8.146 -0.261 3.259 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.796 -0.700 2.719 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.247 -1.190 2.756 1.00 0.20 C ATOM 0 H VAL A 89 -8.983 -2.083 5.139 1.00 0.21 H new ATOM 0 HA VAL A 89 -7.176 0.244 5.108 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.359 0.743 2.893 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.833 -0.732 1.630 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -6.030 0.008 3.036 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.555 -1.691 3.103 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.239 -1.207 1.666 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.075 -2.197 3.136 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.215 -0.831 3.106 1.00 0.20 H new ATOM 1453 N THR A 90 -9.011 1.911 5.545 1.00 0.26 N ATOM 1454 CA THR A 90 -10.059 2.826 5.925 1.00 0.28 C ATOM 1455 C THR A 90 -10.782 3.299 4.673 1.00 0.25 C ATOM 1456 O THR A 90 -10.229 4.069 3.876 1.00 0.25 O ATOM 1457 CB THR A 90 -9.512 4.050 6.672 1.00 0.33 C ATOM 1458 OG1 THR A 90 -8.601 3.640 7.699 1.00 0.35 O ATOM 1459 CG2 THR A 90 -10.648 4.850 7.287 1.00 0.40 C ATOM 0 H THR A 90 -8.081 2.326 5.483 1.00 0.26 H new ATOM 0 HA THR A 90 -10.737 2.297 6.594 1.00 0.28 H new ATOM 0 HB THR A 90 -8.984 4.679 5.956 1.00 0.33 H new ATOM 0 HG1 THR A 90 -9.079 3.102 8.364 1.00 0.35 H new ATOM 0 HG21 THR A 90 -10.242 5.714 7.813 1.00 0.40 H new ATOM 0 HG22 THR A 90 -11.322 5.188 6.500 1.00 0.40 H new ATOM 0 HG23 THR A 90 -11.196 4.223 7.990 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.994 2.825 4.489 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.766 3.159 3.312 1.00 0.22 C ATOM 1469 C CYS A 91 -13.606 4.406 3.531 1.00 0.25 C ATOM 1470 O CYS A 91 -14.367 4.489 4.493 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.654 1.981 2.944 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.716 0.475 2.563 1.00 0.20 S ATOM 0 H CYS A 91 -12.469 2.203 5.143 1.00 0.23 H new ATOM 0 HA CYS A 91 -12.077 3.370 2.494 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.338 1.777 3.768 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.265 2.249 2.082 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.440 5.378 2.644 1.00 0.24 N ATOM 1478 CA GLU A 92 -14.246 6.586 2.665 1.00 0.29 C ATOM 1479 C GLU A 92 -14.501 7.050 1.236 1.00 0.27 C ATOM 1480 O GLU A 92 -13.582 7.076 0.417 1.00 0.27 O ATOM 1481 CB GLU A 92 -13.555 7.688 3.468 1.00 0.38 C ATOM 1482 CG GLU A 92 -14.423 8.916 3.680 1.00 0.48 C ATOM 1483 CD GLU A 92 -13.694 10.040 4.387 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -12.588 10.417 3.942 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -14.235 10.564 5.385 1.00 0.76 O ATOM 0 H GLU A 92 -12.747 5.350 1.896 1.00 0.24 H new ATOM 0 HA GLU A 92 -15.198 6.367 3.149 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -13.260 7.289 4.439 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.641 7.983 2.953 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.780 9.273 2.714 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -15.302 8.637 4.262 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.754 7.387 0.941 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.162 7.810 -0.401 1.00 0.31 C ATOM 1494 C ASN A 93 -15.891 6.707 -1.417 1.00 0.28 C ATOM 1495 O ASN A 93 -15.596 6.978 -2.587 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.434 9.096 -0.803 1.00 0.35 C ATOM 1497 CG ASN A 93 -15.773 10.264 0.101 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -16.889 10.373 0.608 1.00 0.69 O ATOM 1499 ND2 ASN A 93 -14.803 11.137 0.322 1.00 0.65 N ATOM 0 H ASN A 93 -16.514 7.376 1.621 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.234 8.009 -0.386 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.358 8.923 -0.779 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.693 9.350 -1.831 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -14.967 11.937 0.933 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -13.892 11.009 -0.118 1.00 0.65 H new ATOM 1506 N GLN A 94 -16.005 5.464 -0.948 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.815 4.270 -1.772 1.00 0.25 C ATOM 1508 C GLN A 94 -14.373 4.119 -2.226 1.00 0.22 C ATOM 1509 O GLN A 94 -14.083 3.384 -3.171 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.750 4.272 -2.979 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.218 4.247 -2.599 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.127 3.924 -3.765 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.270 4.374 -3.824 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.633 3.135 -4.700 1.00 0.48 N ATOM 0 H GLN A 94 -16.234 5.256 0.024 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.062 3.414 -1.144 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.553 5.159 -3.582 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.528 3.406 -3.603 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.371 3.509 -1.811 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.497 5.216 -2.186 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.680 2.781 -4.617 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.204 2.879 -5.506 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.471 4.790 -1.533 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.060 4.708 -1.852 1.00 0.19 C ATOM 1525 C ALA A 95 -11.224 4.523 -0.594 1.00 0.17 C ATOM 1526 O ALA A 95 -11.456 5.180 0.421 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.619 5.956 -2.600 1.00 0.21 C ATOM 0 H ALA A 95 -13.692 5.398 -0.745 1.00 0.20 H new ATOM 0 HA ALA A 95 -11.905 3.838 -2.490 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.557 5.883 -2.835 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.189 6.047 -3.524 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.794 6.834 -1.978 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.272 3.587 -0.638 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.288 3.411 0.429 1.00 0.17 C ATOM 1535 C PRO A 96 -8.387 4.638 0.556 1.00 0.19 C ATOM 1536 O PRO A 96 -7.504 4.855 -0.270 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.468 2.190 -0.008 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.226 1.554 -1.130 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.102 2.615 -1.726 1.00 0.17 C ATOM 0 HA PRO A 96 -9.760 3.277 1.403 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.471 2.487 -0.332 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.339 1.492 0.819 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.542 1.153 -1.879 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.825 0.719 -0.766 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.638 3.071 -2.600 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.059 2.207 -2.050 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.626 5.453 1.574 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.889 6.704 1.734 1.00 0.24 C ATOM 1549 C VAL A 97 -6.879 6.630 2.873 1.00 0.27 C ATOM 1550 O VAL A 97 -5.905 7.380 2.905 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.843 7.889 1.979 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.687 8.159 0.743 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.734 7.617 3.181 1.00 0.35 C ATOM 0 H VAL A 97 -9.320 5.274 2.299 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.349 6.863 0.801 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.243 8.775 2.187 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.355 8.999 0.935 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.035 8.398 -0.097 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.277 7.274 0.505 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -10.401 8.465 3.339 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -10.325 6.719 3.000 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -9.116 7.472 4.067 1.00 0.35 H new ATOM 1563 N HIS A 98 -7.116 5.731 3.812 1.00 0.30 N ATOM 1564 CA HIS A 98 -6.218 5.559 4.943 1.00 0.35 C ATOM 1565 C HIS A 98 -5.841 4.093 5.083 1.00 0.31 C ATOM 1566 O HIS A 98 -6.682 3.213 4.904 1.00 0.31 O ATOM 1567 CB HIS A 98 -6.864 6.059 6.243 1.00 0.42 C ATOM 1568 CG HIS A 98 -6.861 7.550 6.419 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -7.424 8.541 5.685 1.00 1.03 N flip ATOM 1570 CD2 HIS A 98 -6.251 8.172 7.486 1.00 0.75 C flip ATOM 1571 CE1 HIS A 98 -7.149 9.725 6.320 1.00 1.08 C flip ATOM 1572 NE2 HIS A 98 -6.441 9.473 7.403 1.00 0.82 N flip ATOM 0 H HIS A 98 -7.923 5.108 3.815 1.00 0.30 H new ATOM 0 HA HIS A 98 -5.321 6.150 4.760 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -7.895 5.706 6.278 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -6.343 5.607 7.087 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -5.702 7.671 8.269 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -7.461 10.704 5.987 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.098 10.169 8.066 1.00 0.82 H new ATOM 1581 N PHE A 99 -4.581 3.829 5.382 1.00 0.31 N ATOM 1582 CA PHE A 99 -4.120 2.460 5.552 1.00 0.29 C ATOM 1583 C PHE A 99 -4.012 2.126 7.033 1.00 0.29 C ATOM 1584 O PHE A 99 -3.321 2.812 7.782 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.770 2.256 4.861 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.341 0.818 4.801 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -3.009 -0.086 3.990 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.270 0.372 5.558 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.614 -1.408 3.937 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.871 -0.948 5.508 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.555 -1.842 4.685 1.00 0.31 C ATOM 0 H PHE A 99 -3.861 4.540 5.512 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.845 1.789 5.091 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.825 2.653 3.848 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -2.010 2.832 5.388 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.846 0.247 3.394 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.741 1.066 6.195 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.144 -2.102 3.302 1.00 0.29 H new ATOM 0 HE2 PHE A 99 -0.035 -1.286 6.102 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.248 -2.877 4.638 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.711 1.082 7.449 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.706 0.668 8.842 1.00 0.28 C ATOM 1603 C VAL A 100 -3.517 -0.255 9.120 1.00 0.28 C ATOM 1604 O VAL A 100 -2.595 0.106 9.853 1.00 0.32 O ATOM 1605 CB VAL A 100 -6.031 -0.041 9.211 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -6.028 -0.482 10.666 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -7.227 0.864 8.925 1.00 0.29 C ATOM 0 H VAL A 100 -5.290 0.505 6.840 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.611 1.560 9.461 1.00 0.28 H new ATOM 0 HB VAL A 100 -6.119 -0.932 8.589 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.971 -0.977 10.898 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -5.203 -1.174 10.835 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.908 0.389 11.310 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -8.148 0.345 9.192 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -7.141 1.777 9.514 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -7.247 1.116 7.865 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.528 -1.431 8.508 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.447 -2.384 8.687 1.00 0.29 C ATOM 1619 C GLY A 101 -2.753 -3.691 8.003 1.00 0.25 C ATOM 1620 O GLY A 101 -3.830 -3.843 7.428 1.00 0.28 O ATOM 0 H GLY A 101 -4.272 -1.745 7.885 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.523 -1.969 8.286 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.284 -2.557 9.751 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.831 -4.638 8.058 1.00 0.25 N ATOM 1625 CA VAL A 102 -2.034 -5.917 7.397 1.00 0.22 C ATOM 1626 C VAL A 102 -2.458 -6.973 8.410 1.00 0.24 C ATOM 1627 O VAL A 102 -2.199 -6.839 9.607 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.783 -6.396 6.615 1.00 0.24 C ATOM 1629 CG1 VAL A 102 -0.031 -5.216 6.020 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.138 -7.256 7.469 1.00 0.25 C ATOM 0 H VAL A 102 -0.942 -4.547 8.549 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.828 -5.772 6.665 1.00 0.22 H new ATOM 0 HB VAL A 102 -1.138 -7.026 5.799 1.00 0.24 H new ATOM 0 HG11 VAL A 102 0.842 -5.578 5.477 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.685 -4.675 5.337 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.290 -4.549 6.820 1.00 0.27 H new ATOM 0 HG21 VAL A 102 0.999 -7.566 6.877 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.478 -6.681 8.330 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.403 -8.138 7.813 1.00 0.25 H new ATOM 1640 N GLY A 103 -3.137 -7.997 7.927 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.624 -9.048 8.788 1.00 0.29 C ATOM 1642 C GLY A 103 -5.050 -8.800 9.228 1.00 0.28 C ATOM 1643 O GLY A 103 -5.980 -9.422 8.716 1.00 0.34 O ATOM 0 H GLY A 103 -3.362 -8.119 6.940 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.566 -10.002 8.265 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.982 -9.126 9.665 1.00 0.29 H new ATOM 1647 N SER A 104 -5.221 -7.885 10.172 1.00 0.33 N ATOM 1648 CA SER A 104 -6.534 -7.534 10.686 1.00 0.32 C ATOM 1649 C SER A 104 -6.614 -6.033 10.941 1.00 0.39 C ATOM 1650 O SER A 104 -5.659 -5.298 10.683 1.00 0.59 O ATOM 1651 CB SER A 104 -6.797 -8.296 11.982 1.00 0.45 C ATOM 1652 OG SER A 104 -6.622 -9.693 11.808 1.00 1.38 O ATOM 0 H SER A 104 -4.454 -7.367 10.601 1.00 0.33 H new ATOM 0 HA SER A 104 -7.289 -7.805 9.949 1.00 0.32 H new ATOM 0 HB2 SER A 104 -6.122 -7.938 12.759 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.812 -8.095 12.324 1.00 0.45 H new ATOM 0 HG SER A 104 -6.796 -10.153 12.656 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.753 -5.586 11.438 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.938 -4.183 11.791 1.00 0.53 C ATOM 1660 C CYS A 105 -7.486 -3.930 13.225 1.00 0.48 C ATOM 1661 O CYS A 105 -6.544 -3.139 13.422 1.00 1.10 O ATOM 1662 CB CYS A 105 -9.403 -3.776 11.631 1.00 0.82 C ATOM 1663 SG CYS A 105 -10.020 -3.853 9.921 1.00 1.01 S ATOM 1664 OXT CYS A 105 -8.048 -4.551 14.151 1.00 1.20 O ATOM 0 H CYS A 105 -8.569 -6.174 11.608 1.00 0.39 H new ATOM 0 HA CYS A 105 -7.330 -3.581 11.116 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -10.018 -4.423 12.256 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.528 -2.760 12.005 1.00 0.82 H new TER 1669 CYS A 105