USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 49 ASN : amide:sc= 0.0827 K(o=0.15,f=-8.4!) USER MOD Set 1.2: A 83 ASN : amide:sc= 0.0668 K(o=0.15,f=-4.7!) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -120:sc= 0.0121 (180deg=-0.0395) USER MOD Set 2.2: A 75 SER OG : rot 150:sc= 0 USER MOD Set 3.1: A 28 ASN : amide:sc= -1.07! C(o=-1.1!,f=-9.7!) USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.57) USER MOD Single : A 5 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00089) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 60:sc= 0.264 USER MOD Single : A 13 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.2!) USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.156 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0.6 (180deg=0.417) USER MOD Single : A 22 HIS : no HE2:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= -0.406 (180deg=-1.86!) USER MOD Single : A 39 ASN : amide:sc= -5.4! C(o=-5.4!,f=-14!) USER MOD Single : A 41 MET CE :methyl -125:sc= 0 (180deg=-0.0516) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 152:sc= -0.412 (180deg=-2.07!) USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0464) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.279 K(o=-0.28,f=-3.3!) USER MOD Single : A 57 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.41) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0638 K(o=-0.064,f=-1) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -7.22! X(o=-7.2!,f=-7.3) USER MOD Single : A 70 SER OG : rot 108:sc= 1.15 USER MOD Single : A 73 MET CE :methyl 157:sc= 0 (180deg=-0.325) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -110:sc= -0.216 (180deg=-0.89) USER MOD Single : A 84 TYR OH : rot -87:sc= 0.477 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -8.01! C(o=-10!,f=-8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.433 F(o=-1.2,f=-0.43) USER MOD Single : A 97 HIS : +bothHN:sc= 0.0368 K(o=0.037,f=-6.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 0:sc= -0.478 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 4 -1.921 23.838 -5.344 1.00 1.39 N ATOM 2 CA ASN A 4 -0.930 22.870 -5.799 1.00 1.19 C ATOM 3 C ASN A 4 -0.037 22.425 -4.645 1.00 0.98 C ATOM 4 O ASN A 4 1.188 22.408 -4.766 1.00 1.50 O ATOM 5 CB ASN A 4 -0.074 23.467 -6.920 1.00 1.71 C ATOM 6 CG ASN A 4 0.720 22.413 -7.666 1.00 1.99 C ATOM 7 OD1 ASN A 4 0.241 21.830 -8.639 1.00 2.33 O ATOM 8 ND2 ASN A 4 1.944 22.162 -7.213 1.00 2.64 N ATOM 0 HA ASN A 4 -1.461 21.999 -6.184 1.00 1.19 H new ATOM 0 HB2 ASN A 4 -0.718 23.997 -7.622 1.00 1.71 H new ATOM 0 HB3 ASN A 4 0.611 24.202 -6.498 1.00 1.71 H new ATOM 0 HD21 ASN A 4 2.525 21.463 -7.675 1.00 2.64 H new ATOM 0 HD22 ASN A 4 2.302 22.668 -6.403 1.00 2.64 H new ATOM 15 N ASN A 5 -0.659 22.065 -3.527 1.00 0.76 N ATOM 16 CA ASN A 5 0.075 21.618 -2.349 1.00 0.53 C ATOM 17 C ASN A 5 -0.408 20.229 -1.923 1.00 0.49 C ATOM 18 O ASN A 5 -0.781 19.418 -2.771 1.00 0.60 O ATOM 19 CB ASN A 5 -0.099 22.627 -1.208 1.00 0.52 C ATOM 20 CG ASN A 5 -0.131 24.064 -1.692 1.00 0.63 C ATOM 21 OD1 ASN A 5 0.847 24.568 -2.244 1.00 1.19 O ATOM 22 ND2 ASN A 5 -1.259 24.736 -1.484 1.00 1.41 N ATOM 0 H ASN A 5 -1.672 22.074 -3.412 1.00 0.76 H new ATOM 0 HA ASN A 5 1.135 21.553 -2.593 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.023 22.408 -0.674 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.717 22.507 -0.496 1.00 0.52 H new ATOM 0 HD21 ASN A 5 -1.337 25.707 -1.786 1.00 1.41 H new ATOM 0 HD22 ASN A 5 -2.046 24.280 -1.023 1.00 1.41 H new ATOM 29 N LYS A 6 -0.404 19.950 -0.621 1.00 0.45 N ATOM 30 CA LYS A 6 -0.845 18.652 -0.127 1.00 0.49 C ATOM 31 C LYS A 6 -2.271 18.731 0.410 1.00 0.49 C ATOM 32 O LYS A 6 -2.545 19.383 1.418 1.00 0.56 O ATOM 33 CB LYS A 6 0.103 18.107 0.951 1.00 0.64 C ATOM 34 CG LYS A 6 1.161 19.096 1.422 1.00 1.28 C ATOM 35 CD LYS A 6 2.147 19.424 0.312 1.00 1.76 C ATOM 36 CE LYS A 6 3.585 19.304 0.790 1.00 2.52 C ATOM 37 NZ LYS A 6 3.898 20.290 1.859 1.00 3.06 N ATOM 0 H LYS A 6 -0.102 20.601 0.104 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.828 17.960 -0.969 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.488 17.791 1.810 1.00 0.64 H new ATOM 0 HB3 LYS A 6 0.602 17.219 0.563 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.679 20.011 1.765 1.00 1.28 H new ATOM 0 HG3 LYS A 6 1.697 18.679 2.275 1.00 1.28 H new ATOM 0 HD2 LYS A 6 1.985 18.751 -0.530 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.966 20.436 -0.049 1.00 1.76 H new ATOM 0 HE2 LYS A 6 3.760 18.295 1.164 1.00 2.52 H new ATOM 0 HE3 LYS A 6 4.261 19.454 -0.052 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 4.892 20.187 2.146 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 3.739 21.253 1.500 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 3.282 20.120 2.679 1.00 3.06 H new ATOM 51 N ARG A 7 -3.165 18.052 -0.288 1.00 0.50 N ATOM 52 CA ARG A 7 -4.575 18.001 0.053 1.00 0.52 C ATOM 53 C ARG A 7 -5.109 16.572 -0.094 1.00 0.47 C ATOM 54 O ARG A 7 -5.017 15.955 -1.175 1.00 0.43 O ATOM 55 CB ARG A 7 -5.363 18.956 -0.840 1.00 0.57 C ATOM 56 CG ARG A 7 -5.289 20.407 -0.392 1.00 0.77 C ATOM 57 CD ARG A 7 -4.003 21.067 -0.862 1.00 0.64 C ATOM 58 NE ARG A 7 -4.245 22.380 -1.457 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.391 23.494 -0.749 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.325 23.458 0.575 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.604 24.650 -1.365 1.00 2.11 N ATOM 0 H ARG A 7 -2.927 17.513 -1.120 1.00 0.50 H new ATOM 0 HA ARG A 7 -4.696 18.309 1.092 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.987 18.880 -1.860 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.407 18.643 -0.860 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.146 20.955 -0.785 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.350 20.457 0.695 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.320 21.172 -0.019 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.511 20.424 -1.592 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.305 22.444 -2.473 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.161 22.572 1.054 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -4.438 24.316 1.115 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.656 24.683 -2.383 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.716 25.505 -0.820 1.00 2.11 H new ATOM 75 N ALA A 8 -5.650 16.062 1.015 1.00 0.50 N ATOM 76 CA ALA A 8 -6.203 14.708 1.099 1.00 0.47 C ATOM 77 C ALA A 8 -6.814 14.227 -0.217 1.00 0.44 C ATOM 78 O ALA A 8 -7.690 14.884 -0.780 1.00 0.56 O ATOM 79 CB ALA A 8 -7.251 14.652 2.201 1.00 0.54 C ATOM 0 H ALA A 8 -5.717 16.583 1.889 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.373 14.039 1.326 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.661 13.644 2.262 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -6.792 14.915 3.154 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.052 15.357 1.978 1.00 0.54 H new ATOM 85 N PRO A 9 -6.368 13.059 -0.723 1.00 0.36 N ATOM 86 CA PRO A 9 -6.880 12.489 -1.957 1.00 0.37 C ATOM 87 C PRO A 9 -8.051 11.542 -1.717 1.00 0.37 C ATOM 88 O PRO A 9 -8.041 10.750 -0.777 1.00 0.40 O ATOM 89 CB PRO A 9 -5.671 11.727 -2.496 1.00 0.39 C ATOM 90 CG PRO A 9 -4.879 11.328 -1.286 1.00 0.51 C ATOM 91 CD PRO A 9 -5.334 12.196 -0.133 1.00 0.41 C ATOM 0 HA PRO A 9 -7.271 13.246 -2.637 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.981 10.853 -3.068 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.079 12.352 -3.164 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -5.036 10.274 -1.057 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.812 11.460 -1.466 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.734 11.596 0.685 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.510 12.782 0.275 1.00 0.41 H new ATOM 99 N TYR A 10 -9.062 11.631 -2.577 1.00 0.38 N ATOM 100 CA TYR A 10 -10.242 10.783 -2.461 1.00 0.41 C ATOM 101 C TYR A 10 -10.003 9.423 -3.106 1.00 0.38 C ATOM 102 O TYR A 10 -9.270 9.311 -4.089 1.00 0.44 O ATOM 103 CB TYR A 10 -11.450 11.459 -3.114 1.00 0.49 C ATOM 104 CG TYR A 10 -11.218 11.845 -4.558 1.00 1.15 C ATOM 105 CD1 TYR A 10 -11.220 10.885 -5.562 1.00 2.02 C ATOM 106 CD2 TYR A 10 -10.996 13.170 -4.915 1.00 1.90 C ATOM 107 CE1 TYR A 10 -11.009 11.235 -6.882 1.00 2.96 C ATOM 108 CE2 TYR A 10 -10.784 13.526 -6.233 1.00 2.78 C ATOM 109 CZ TYR A 10 -10.791 12.559 -7.213 1.00 3.18 C ATOM 110 OH TYR A 10 -10.581 12.906 -8.526 1.00 4.20 O ATOM 0 H TYR A 10 -9.087 12.282 -3.362 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.444 10.633 -1.400 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -12.306 10.787 -3.059 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.709 12.352 -2.545 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -11.389 9.849 -5.307 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -10.989 13.933 -4.150 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -11.014 10.477 -7.652 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -10.613 14.560 -6.494 1.00 2.78 H new ATOM 0 HH TYR A 10 -10.445 13.874 -8.591 1.00 4.20 H new ATOM 120 N TRP A 11 -10.624 8.394 -2.545 1.00 0.47 N ATOM 121 CA TRP A 11 -10.478 7.037 -3.062 1.00 0.49 C ATOM 122 C TRP A 11 -10.930 6.962 -4.517 1.00 0.42 C ATOM 123 O TRP A 11 -12.058 7.327 -4.845 1.00 0.45 O ATOM 124 CB TRP A 11 -11.291 6.050 -2.221 1.00 0.60 C ATOM 125 CG TRP A 11 -11.274 6.353 -0.752 1.00 0.83 C ATOM 126 CD1 TRP A 11 -10.207 6.775 -0.013 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.378 6.257 0.156 1.00 1.65 C ATOM 128 NE1 TRP A 11 -10.579 6.946 1.298 1.00 2.26 N ATOM 129 CE2 TRP A 11 -11.908 6.635 1.427 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.720 5.888 0.017 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -12.728 6.654 2.551 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -14.534 5.907 1.133 1.00 3.54 C ATOM 133 CH2 TRP A 11 -14.037 6.288 2.386 1.00 3.60 C ATOM 0 H TRP A 11 -11.234 8.472 -1.731 1.00 0.47 H new ATOM 0 HA TRP A 11 -9.423 6.769 -3.005 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -12.323 6.052 -2.571 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -10.902 5.044 -2.380 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -9.215 6.949 -0.402 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -9.966 7.254 2.053 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -14.113 5.594 -0.945 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -12.346 6.947 3.518 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -15.572 5.623 1.038 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -14.700 6.293 3.239 1.00 3.60 H new ATOM 144 N THR A 12 -10.044 6.483 -5.385 1.00 0.45 N ATOM 145 CA THR A 12 -10.361 6.357 -6.802 1.00 0.50 C ATOM 146 C THR A 12 -10.817 4.939 -7.130 1.00 0.55 C ATOM 147 O THR A 12 -12.015 4.657 -7.165 1.00 0.64 O ATOM 148 CB THR A 12 -9.155 6.719 -7.689 1.00 0.61 C ATOM 149 OG1 THR A 12 -7.961 6.762 -6.899 1.00 1.28 O ATOM 150 CG2 THR A 12 -9.368 8.062 -8.371 1.00 1.23 C ATOM 0 H THR A 12 -9.104 6.177 -5.132 1.00 0.45 H new ATOM 0 HA THR A 12 -11.169 7.058 -7.011 1.00 0.50 H new ATOM 0 HB THR A 12 -9.054 5.952 -8.457 1.00 0.61 H new ATOM 0 HG1 THR A 12 -7.809 5.885 -6.488 1.00 1.28 H new ATOM 0 HG21 THR A 12 -8.503 8.296 -8.992 1.00 1.23 H new ATOM 0 HG22 THR A 12 -10.261 8.016 -8.995 1.00 1.23 H new ATOM 0 HG23 THR A 12 -9.493 8.838 -7.616 1.00 1.23 H new ATOM 158 N ASN A 13 -9.857 4.050 -7.364 1.00 0.56 N ATOM 159 CA ASN A 13 -10.169 2.664 -7.681 1.00 0.66 C ATOM 160 C ASN A 13 -10.547 1.897 -6.419 1.00 0.63 C ATOM 161 O ASN A 13 -9.800 1.890 -5.442 1.00 0.58 O ATOM 162 CB ASN A 13 -8.975 1.990 -8.359 1.00 0.73 C ATOM 163 CG ASN A 13 -8.279 2.901 -9.350 1.00 1.35 C ATOM 164 OD1 ASN A 13 -8.770 3.983 -9.668 1.00 2.05 O ATOM 165 ND2 ASN A 13 -7.128 2.464 -9.848 1.00 1.96 N ATOM 0 H ASN A 13 -8.860 4.265 -7.340 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.017 2.654 -8.365 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -8.261 1.673 -7.599 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -9.314 1.091 -8.873 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -6.615 3.033 -10.522 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -6.757 1.560 -9.557 1.00 1.96 H new ATOM 172 N THR A 14 -11.706 1.249 -6.448 1.00 0.74 N ATOM 173 CA THR A 14 -12.169 0.478 -5.301 1.00 0.78 C ATOM 174 C THR A 14 -11.238 -0.700 -5.045 1.00 0.76 C ATOM 175 O THR A 14 -11.133 -1.613 -5.866 1.00 0.78 O ATOM 176 CB THR A 14 -13.603 -0.042 -5.514 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.065 0.311 -6.823 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.548 0.533 -4.467 1.00 1.15 C ATOM 0 H THR A 14 -12.339 1.242 -7.248 1.00 0.74 H new ATOM 0 HA THR A 14 -12.167 1.142 -4.437 1.00 0.78 H new ATOM 0 HB THR A 14 -13.590 -1.127 -5.414 1.00 0.92 H new ATOM 0 HG1 THR A 14 -14.243 1.274 -6.858 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.555 0.152 -4.637 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.212 0.239 -3.473 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.554 1.620 -4.541 1.00 1.15 H new ATOM 186 N GLU A 15 -10.586 -0.697 -3.886 1.00 0.76 N ATOM 187 CA GLU A 15 -9.690 -1.780 -3.523 1.00 0.77 C ATOM 188 C GLU A 15 -10.477 -3.017 -3.104 1.00 0.82 C ATOM 189 O GLU A 15 -9.919 -4.107 -2.984 1.00 0.82 O ATOM 190 CB GLU A 15 -8.762 -1.339 -2.388 1.00 0.79 C ATOM 191 CG GLU A 15 -7.996 -0.061 -2.689 1.00 1.35 C ATOM 192 CD GLU A 15 -7.177 0.421 -1.507 1.00 1.75 C ATOM 193 OE1 GLU A 15 -6.385 -0.380 -0.968 1.00 2.50 O ATOM 194 OE2 GLU A 15 -7.331 1.598 -1.121 1.00 2.06 O ATOM 0 H GLU A 15 -10.664 0.042 -3.187 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.089 -2.034 -4.396 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.352 -1.194 -1.483 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.051 -2.138 -2.180 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.335 -0.230 -3.539 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -8.699 0.719 -2.981 1.00 1.35 H new ATOM 201 N LYS A 16 -11.780 -2.846 -2.891 1.00 0.88 N ATOM 202 CA LYS A 16 -12.631 -3.954 -2.500 1.00 0.95 C ATOM 203 C LYS A 16 -12.759 -4.959 -3.641 1.00 0.98 C ATOM 204 O LYS A 16 -13.131 -6.111 -3.422 1.00 1.01 O ATOM 205 CB LYS A 16 -14.016 -3.441 -2.089 1.00 1.04 C ATOM 206 CG LYS A 16 -15.051 -4.540 -1.901 1.00 1.44 C ATOM 207 CD LYS A 16 -16.079 -4.165 -0.842 1.00 1.61 C ATOM 208 CE LYS A 16 -17.490 -4.183 -1.406 1.00 2.37 C ATOM 209 NZ LYS A 16 -18.302 -3.037 -0.908 1.00 2.83 N ATOM 0 H LYS A 16 -12.263 -1.952 -2.984 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.174 -4.455 -1.646 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.923 -2.880 -1.159 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.374 -2.744 -2.847 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.556 -4.731 -2.848 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.552 -5.465 -1.613 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.011 -4.860 -0.005 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.855 -3.173 -0.451 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.446 -4.151 -2.495 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -17.978 -5.119 -1.134 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -19.258 -3.085 -1.316 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.365 -3.081 0.129 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -17.850 -2.143 -1.189 1.00 2.83 H new ATOM 223 N MET A 17 -12.456 -4.518 -4.862 1.00 0.98 N ATOM 224 CA MET A 17 -12.555 -5.397 -6.020 1.00 1.04 C ATOM 225 C MET A 17 -11.228 -6.096 -6.313 1.00 1.03 C ATOM 226 O MET A 17 -11.058 -6.690 -7.377 1.00 1.17 O ATOM 227 CB MET A 17 -13.003 -4.602 -7.247 1.00 1.21 C ATOM 228 CG MET A 17 -14.270 -3.796 -7.017 1.00 1.44 C ATOM 229 SD MET A 17 -15.646 -4.815 -6.452 1.00 1.83 S ATOM 230 CE MET A 17 -16.578 -5.002 -7.971 1.00 2.16 C ATOM 0 H MET A 17 -12.144 -3.569 -5.071 1.00 0.98 H new ATOM 0 HA MET A 17 -13.295 -6.163 -5.790 1.00 1.04 H new ATOM 0 HB2 MET A 17 -12.201 -3.926 -7.545 1.00 1.21 H new ATOM 0 HB3 MET A 17 -13.165 -5.290 -8.077 1.00 1.21 H new ATOM 0 HG2 MET A 17 -14.072 -3.018 -6.280 1.00 1.44 H new ATOM 0 HG3 MET A 17 -14.550 -3.294 -7.943 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.462 -5.611 -7.783 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.883 -4.021 -8.334 1.00 2.16 H new ATOM 0 HE3 MET A 17 -15.956 -5.489 -8.722 1.00 2.16 H new ATOM 240 N GLU A 18 -10.290 -6.032 -5.364 1.00 0.95 N ATOM 241 CA GLU A 18 -8.984 -6.674 -5.532 1.00 1.06 C ATOM 242 C GLU A 18 -7.985 -6.190 -4.484 1.00 0.96 C ATOM 243 O GLU A 18 -6.936 -5.648 -4.829 1.00 1.57 O ATOM 244 CB GLU A 18 -8.419 -6.402 -6.932 1.00 1.43 C ATOM 245 CG GLU A 18 -8.572 -4.957 -7.380 1.00 1.29 C ATOM 246 CD GLU A 18 -9.176 -4.835 -8.764 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.585 -5.374 -9.722 1.00 2.56 O ATOM 248 OE2 GLU A 18 -10.246 -4.198 -8.890 1.00 2.88 O ATOM 0 H GLU A 18 -10.410 -5.545 -4.476 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.135 -7.746 -5.404 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -7.362 -6.668 -6.946 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -8.921 -7.051 -7.650 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -9.200 -4.424 -6.666 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.596 -4.472 -7.370 1.00 1.29 H new ATOM 255 N LYS A 19 -8.301 -6.390 -3.205 1.00 0.84 N ATOM 256 CA LYS A 19 -7.397 -5.968 -2.143 1.00 1.08 C ATOM 257 C LYS A 19 -7.780 -6.546 -0.781 1.00 0.87 C ATOM 258 O LYS A 19 -6.927 -7.099 -0.087 1.00 0.87 O ATOM 259 CB LYS A 19 -7.332 -4.441 -2.069 1.00 1.66 C ATOM 260 CG LYS A 19 -5.920 -3.897 -1.892 1.00 2.57 C ATOM 261 CD LYS A 19 -5.150 -4.660 -0.824 1.00 2.87 C ATOM 262 CE LYS A 19 -4.265 -5.735 -1.432 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.820 -5.385 -1.344 1.00 4.14 N ATOM 0 H LYS A 19 -9.162 -6.834 -2.885 1.00 0.84 H new ATOM 0 HA LYS A 19 -6.412 -6.361 -2.394 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -7.762 -4.023 -2.979 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -7.950 -4.099 -1.239 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.385 -3.959 -2.840 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -5.968 -2.842 -1.622 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -4.537 -3.965 -0.250 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -5.851 -5.117 -0.126 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -4.440 -6.681 -0.920 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -4.539 -5.882 -2.477 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.258 -6.103 -1.844 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -2.661 -4.454 -1.780 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -2.531 -5.353 -0.346 1.00 4.14 H new ATOM 277 N ARG A 20 -9.051 -6.426 -0.390 1.00 0.98 N ATOM 278 CA ARG A 20 -9.472 -6.955 0.915 1.00 0.92 C ATOM 279 C ARG A 20 -9.378 -8.474 0.927 1.00 0.94 C ATOM 280 O ARG A 20 -9.242 -9.089 1.981 1.00 1.30 O ATOM 281 CB ARG A 20 -10.888 -6.519 1.324 1.00 0.95 C ATOM 282 CG ARG A 20 -11.732 -5.924 0.210 1.00 1.64 C ATOM 283 CD ARG A 20 -13.222 -5.973 0.528 1.00 2.15 C ATOM 284 NE ARG A 20 -13.495 -5.997 1.964 1.00 2.67 N ATOM 285 CZ ARG A 20 -13.471 -4.916 2.735 1.00 3.29 C ATOM 286 NH1 ARG A 20 -13.182 -3.733 2.212 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.736 -5.016 4.031 1.00 4.11 N ATOM 0 H ARG A 20 -9.789 -5.982 -0.937 1.00 0.98 H new ATOM 0 HA ARG A 20 -8.787 -6.531 1.649 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -11.412 -7.383 1.733 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.807 -5.786 2.127 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.432 -4.890 0.042 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -11.542 -6.466 -0.717 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -13.712 -5.106 0.084 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -13.659 -6.858 0.065 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.716 -6.893 2.398 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -12.978 -3.652 1.216 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -13.164 -2.904 2.806 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.959 -5.925 4.437 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -13.717 -4.184 4.621 1.00 4.11 H new ATOM 301 N LEU A 21 -9.406 -9.063 -0.259 1.00 1.59 N ATOM 302 CA LEU A 21 -9.269 -10.498 -0.425 1.00 1.80 C ATOM 303 C LEU A 21 -8.199 -10.718 -1.480 1.00 1.48 C ATOM 304 O LEU A 21 -8.391 -10.336 -2.634 1.00 2.41 O ATOM 305 CB LEU A 21 -10.593 -11.132 -0.859 1.00 3.05 C ATOM 306 CG LEU A 21 -11.207 -12.104 0.149 1.00 3.76 C ATOM 307 CD1 LEU A 21 -10.218 -13.209 0.493 1.00 4.55 C ATOM 308 CD2 LEU A 21 -11.641 -11.364 1.405 1.00 4.31 C ATOM 0 H LEU A 21 -9.525 -8.555 -1.135 1.00 1.59 H new ATOM 0 HA LEU A 21 -8.991 -10.968 0.518 1.00 1.80 H new ATOM 0 HB2 LEU A 21 -11.311 -10.336 -1.057 1.00 3.05 H new ATOM 0 HB3 LEU A 21 -10.434 -11.660 -1.799 1.00 3.05 H new ATOM 0 HG LEU A 21 -12.088 -12.560 -0.303 1.00 3.76 H new ATOM 0 HD11 LEU A 21 -10.671 -13.892 1.212 1.00 4.55 H new ATOM 0 HD12 LEU A 21 -9.955 -13.757 -0.412 1.00 4.55 H new ATOM 0 HD13 LEU A 21 -9.319 -12.771 0.926 1.00 4.55 H new ATOM 0 HD21 LEU A 21 -12.076 -12.071 2.112 1.00 4.31 H new ATOM 0 HD22 LEU A 21 -10.776 -10.881 1.860 1.00 4.31 H new ATOM 0 HD23 LEU A 21 -12.383 -10.609 1.144 1.00 4.31 H new ATOM 320 N HIS A 22 -7.072 -11.321 -1.118 1.00 0.87 N ATOM 321 CA HIS A 22 -6.019 -11.550 -2.098 1.00 1.59 C ATOM 322 C HIS A 22 -5.417 -12.946 -1.974 1.00 1.16 C ATOM 323 O HIS A 22 -5.557 -13.610 -0.946 1.00 1.19 O ATOM 324 CB HIS A 22 -4.922 -10.494 -1.951 1.00 2.66 C ATOM 325 CG HIS A 22 -4.648 -9.749 -3.220 1.00 3.21 C ATOM 326 ND1 HIS A 22 -3.436 -9.793 -3.872 1.00 4.07 N ATOM 327 CD2 HIS A 22 -5.444 -8.943 -3.962 1.00 3.32 C ATOM 328 CE1 HIS A 22 -3.497 -9.047 -4.961 1.00 4.62 C ATOM 329 NE2 HIS A 22 -4.705 -8.520 -5.039 1.00 4.23 N ATOM 0 H HIS A 22 -6.867 -11.653 -0.176 1.00 0.87 H new ATOM 0 HA HIS A 22 -6.471 -11.471 -3.087 1.00 1.59 H new ATOM 0 HB2 HIS A 22 -5.211 -9.784 -1.176 1.00 2.66 H new ATOM 0 HB3 HIS A 22 -4.004 -10.977 -1.615 1.00 2.66 H new ATOM 0 HD1 HIS A 22 -2.619 -10.319 -3.563 1.00 4.07 H new ATOM 0 HD2 HIS A 22 -6.469 -8.682 -3.747 1.00 3.32 H new ATOM 0 HE1 HIS A 22 -2.695 -8.894 -5.668 1.00 4.62 H new ATOM 338 N ALA A 23 -4.717 -13.362 -3.022 1.00 1.06 N ATOM 339 CA ALA A 23 -4.047 -14.657 -3.044 1.00 0.93 C ATOM 340 C ALA A 23 -2.577 -14.462 -3.393 1.00 0.84 C ATOM 341 O ALA A 23 -2.242 -14.119 -4.526 1.00 0.97 O ATOM 342 CB ALA A 23 -4.720 -15.588 -4.043 1.00 1.21 C ATOM 0 H ALA A 23 -4.598 -12.816 -3.875 1.00 1.06 H new ATOM 0 HA ALA A 23 -4.119 -15.115 -2.058 1.00 0.93 H new ATOM 0 HB1 ALA A 23 -4.207 -16.550 -4.047 1.00 1.21 H new ATOM 0 HB2 ALA A 23 -5.762 -15.734 -3.760 1.00 1.21 H new ATOM 0 HB3 ALA A 23 -4.673 -15.148 -5.039 1.00 1.21 H new ATOM 348 N VAL A 24 -1.703 -14.656 -2.410 1.00 0.78 N ATOM 349 CA VAL A 24 -0.273 -14.470 -2.621 1.00 0.74 C ATOM 350 C VAL A 24 0.515 -15.763 -2.416 1.00 0.68 C ATOM 351 O VAL A 24 0.670 -16.230 -1.287 1.00 0.77 O ATOM 352 CB VAL A 24 0.288 -13.398 -1.668 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.699 -13.002 -2.075 1.00 1.32 C ATOM 354 CG2 VAL A 24 -0.627 -12.183 -1.639 1.00 1.30 C ATOM 0 H VAL A 24 -1.959 -14.940 -1.464 1.00 0.78 H new ATOM 0 HA VAL A 24 -0.156 -14.150 -3.656 1.00 0.74 H new ATOM 0 HB VAL A 24 0.332 -13.818 -0.663 1.00 0.81 H new ATOM 0 HG11 VAL A 24 2.076 -12.244 -1.389 1.00 1.32 H new ATOM 0 HG12 VAL A 24 2.347 -13.878 -2.040 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.686 -12.600 -3.088 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.217 -11.435 -0.961 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -0.704 -11.761 -2.641 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -1.617 -12.481 -1.294 1.00 1.30 H new ATOM 364 N PRO A 25 1.040 -16.356 -3.505 1.00 0.61 N ATOM 365 CA PRO A 25 1.826 -17.588 -3.423 1.00 0.63 C ATOM 366 C PRO A 25 3.132 -17.378 -2.667 1.00 0.57 C ATOM 367 O PRO A 25 3.795 -16.352 -2.829 1.00 0.52 O ATOM 368 CB PRO A 25 2.108 -17.942 -4.887 1.00 0.72 C ATOM 369 CG PRO A 25 1.951 -16.663 -5.633 1.00 0.71 C ATOM 370 CD PRO A 25 0.919 -15.866 -4.890 1.00 0.65 C ATOM 0 HA PRO A 25 1.297 -18.373 -2.883 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.112 -18.348 -5.008 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.412 -18.698 -5.251 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.897 -16.124 -5.683 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.635 -16.848 -6.660 1.00 0.71 H new ATOM 0 HD2 PRO A 25 1.114 -14.796 -4.956 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.081 -16.033 -5.289 1.00 0.65 H new ATOM 378 N ALA A 26 3.493 -18.346 -1.836 1.00 0.61 N ATOM 379 CA ALA A 26 4.716 -18.259 -1.051 1.00 0.60 C ATOM 380 C ALA A 26 5.938 -18.038 -1.938 1.00 0.54 C ATOM 381 O ALA A 26 6.092 -18.686 -2.973 1.00 0.58 O ATOM 382 CB ALA A 26 4.891 -19.516 -0.212 1.00 0.71 C ATOM 0 H ALA A 26 2.956 -19.201 -1.688 1.00 0.61 H new ATOM 0 HA ALA A 26 4.628 -17.397 -0.389 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.809 -19.440 0.371 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.041 -19.625 0.462 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.948 -20.385 -0.867 1.00 0.71 H new ATOM 388 N ALA A 27 6.810 -17.124 -1.513 1.00 0.50 N ATOM 389 CA ALA A 27 8.035 -16.811 -2.249 1.00 0.48 C ATOM 390 C ALA A 27 7.774 -15.900 -3.450 1.00 0.43 C ATOM 391 O ALA A 27 8.645 -15.726 -4.301 1.00 0.46 O ATOM 392 CB ALA A 27 8.733 -18.089 -2.701 1.00 0.55 C ATOM 0 H ALA A 27 6.689 -16.584 -0.656 1.00 0.50 H new ATOM 0 HA ALA A 27 8.687 -16.270 -1.563 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.642 -17.834 -3.246 1.00 0.55 H new ATOM 0 HB2 ALA A 27 8.990 -18.691 -1.829 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.067 -18.657 -3.351 1.00 0.55 H new ATOM 398 N ASN A 28 6.582 -15.317 -3.516 1.00 0.39 N ATOM 399 CA ASN A 28 6.232 -14.426 -4.617 1.00 0.36 C ATOM 400 C ASN A 28 6.223 -12.970 -4.160 1.00 0.30 C ATOM 401 O ASN A 28 6.271 -12.685 -2.963 1.00 0.29 O ATOM 402 CB ASN A 28 4.867 -14.801 -5.193 1.00 0.40 C ATOM 403 CG ASN A 28 4.724 -14.402 -6.649 1.00 0.77 C ATOM 404 OD1 ASN A 28 4.955 -13.250 -7.015 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.340 -15.358 -7.489 1.00 1.36 N ATOM 0 H ASN A 28 5.844 -15.444 -2.823 1.00 0.39 H new ATOM 0 HA ASN A 28 6.988 -14.538 -5.394 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.719 -15.877 -5.098 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.084 -14.318 -4.608 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.226 -15.150 -8.481 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.159 -16.300 -7.142 1.00 1.36 H new ATOM 412 N THR A 29 6.160 -12.048 -5.118 1.00 0.30 N ATOM 413 CA THR A 29 6.145 -10.623 -4.805 1.00 0.28 C ATOM 414 C THR A 29 4.748 -10.185 -4.382 1.00 0.30 C ATOM 415 O THR A 29 3.748 -10.704 -4.875 1.00 0.33 O ATOM 416 CB THR A 29 6.597 -9.774 -6.007 1.00 0.32 C ATOM 417 OG1 THR A 29 5.609 -9.822 -7.044 1.00 0.96 O ATOM 418 CG2 THR A 29 7.930 -10.268 -6.548 1.00 0.92 C ATOM 0 H THR A 29 6.119 -12.262 -6.114 1.00 0.30 H new ATOM 0 HA THR A 29 6.845 -10.466 -3.985 1.00 0.28 H new ATOM 0 HB THR A 29 6.718 -8.745 -5.669 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.905 -9.278 -7.803 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.229 -9.653 -7.397 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.687 -10.201 -5.767 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.831 -11.305 -6.869 1.00 0.92 H new ATOM 426 N VAL A 30 4.684 -9.249 -3.440 1.00 0.33 N ATOM 427 CA VAL A 30 3.405 -8.773 -2.931 1.00 0.39 C ATOM 428 C VAL A 30 2.917 -7.517 -3.652 1.00 0.35 C ATOM 429 O VAL A 30 3.585 -6.483 -3.661 1.00 0.35 O ATOM 430 CB VAL A 30 3.473 -8.488 -1.417 1.00 0.47 C ATOM 431 CG1 VAL A 30 2.078 -8.476 -0.816 1.00 0.56 C ATOM 432 CG2 VAL A 30 4.351 -9.513 -0.714 1.00 0.57 C ATOM 0 H VAL A 30 5.500 -8.807 -3.016 1.00 0.33 H new ATOM 0 HA VAL A 30 2.693 -9.576 -3.121 1.00 0.39 H new ATOM 0 HB VAL A 30 3.919 -7.504 -1.273 1.00 0.47 H new ATOM 0 HG11 VAL A 30 2.144 -8.274 0.253 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.482 -7.700 -1.296 1.00 0.56 H new ATOM 0 HG13 VAL A 30 1.606 -9.446 -0.973 1.00 0.56 H new ATOM 0 HG21 VAL A 30 4.385 -9.293 0.353 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.939 -10.510 -0.866 1.00 0.57 H new ATOM 0 HG23 VAL A 30 5.360 -9.471 -1.125 1.00 0.57 H new ATOM 442 N LYS A 31 1.731 -7.630 -4.243 1.00 0.34 N ATOM 443 CA LYS A 31 1.113 -6.520 -4.963 1.00 0.33 C ATOM 444 C LYS A 31 0.241 -5.696 -4.014 1.00 0.33 C ATOM 445 O LYS A 31 -0.722 -6.207 -3.442 1.00 0.38 O ATOM 446 CB LYS A 31 0.282 -7.053 -6.137 1.00 0.38 C ATOM 447 CG LYS A 31 -0.701 -6.055 -6.720 1.00 0.60 C ATOM 448 CD LYS A 31 -2.053 -6.153 -6.027 1.00 0.82 C ATOM 449 CE LYS A 31 -3.202 -6.164 -7.024 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.925 -7.047 -8.190 1.00 1.98 N ATOM 0 H LYS A 31 1.175 -8.485 -4.237 1.00 0.34 H new ATOM 0 HA LYS A 31 1.896 -5.873 -5.359 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.960 -7.379 -6.926 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.268 -7.934 -5.805 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.306 -5.045 -6.613 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.821 -6.239 -7.788 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.087 -7.060 -5.424 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.173 -5.312 -5.344 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -4.111 -6.499 -6.525 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.386 -5.149 -7.375 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -3.814 -7.472 -8.522 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.501 -6.487 -8.957 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.266 -7.800 -7.906 1.00 1.98 H new ATOM 464 N PHE A 32 0.586 -4.420 -3.851 1.00 0.31 N ATOM 465 CA PHE A 32 -0.166 -3.530 -2.967 1.00 0.35 C ATOM 466 C PHE A 32 -0.808 -2.390 -3.753 1.00 0.32 C ATOM 467 O PHE A 32 -0.119 -1.609 -4.410 1.00 0.32 O ATOM 468 CB PHE A 32 0.767 -2.955 -1.890 1.00 0.44 C ATOM 469 CG PHE A 32 1.121 -3.911 -0.776 1.00 0.90 C ATOM 470 CD1 PHE A 32 0.562 -5.180 -0.746 1.00 1.64 C ATOM 471 CD2 PHE A 32 2.004 -3.552 0.235 1.00 1.21 C ATOM 472 CE1 PHE A 32 0.873 -6.068 0.267 1.00 2.28 C ATOM 473 CE2 PHE A 32 2.317 -4.438 1.248 1.00 1.91 C ATOM 474 CZ PHE A 32 1.800 -5.649 1.291 1.00 2.35 C ATOM 0 H PHE A 32 1.379 -3.980 -4.318 1.00 0.31 H new ATOM 0 HA PHE A 32 -0.958 -4.110 -2.494 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.688 -2.622 -2.369 1.00 0.44 H new ATOM 0 HB3 PHE A 32 0.296 -2.073 -1.456 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -0.125 -5.478 -1.524 1.00 1.64 H new ATOM 0 HD2 PHE A 32 2.451 -2.569 0.229 1.00 1.21 H new ATOM 0 HE1 PHE A 32 0.432 -7.054 0.292 1.00 2.28 H new ATOM 0 HE2 PHE A 32 3.002 -4.130 2.024 1.00 1.91 H new ATOM 0 HZ PHE A 32 2.069 -6.325 2.089 1.00 2.35 H new ATOM 484 N ARG A 33 -2.135 -2.308 -3.690 1.00 0.36 N ATOM 485 CA ARG A 33 -2.871 -1.270 -4.408 1.00 0.39 C ATOM 486 C ARG A 33 -3.510 -0.262 -3.457 1.00 0.40 C ATOM 487 O ARG A 33 -4.190 -0.633 -2.500 1.00 0.43 O ATOM 488 CB ARG A 33 -3.947 -1.898 -5.298 1.00 0.47 C ATOM 489 CG ARG A 33 -3.495 -3.156 -6.025 1.00 0.80 C ATOM 490 CD ARG A 33 -2.069 -3.037 -6.552 1.00 0.53 C ATOM 491 NE ARG A 33 -1.958 -3.451 -7.949 1.00 1.09 N ATOM 492 CZ ARG A 33 -2.569 -2.831 -8.954 1.00 1.56 C ATOM 493 NH1 ARG A 33 -3.330 -1.772 -8.717 1.00 2.10 N ATOM 494 NH2 ARG A 33 -2.415 -3.266 -10.197 1.00 2.12 N ATOM 0 H ARG A 33 -2.721 -2.946 -3.151 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.152 -0.735 -5.029 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.816 -2.138 -4.685 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.270 -1.162 -6.034 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -3.560 -4.008 -5.348 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -4.172 -3.356 -6.856 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.732 -2.005 -6.453 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -1.406 -3.648 -5.940 1.00 0.53 H new ATOM 0 HE ARG A 33 -1.379 -4.262 -8.166 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -3.447 -1.432 -7.763 1.00 2.10 H new ATOM 0 HH12 ARG A 33 -3.798 -1.297 -9.489 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.827 -4.078 -10.384 1.00 2.12 H new ATOM 0 HH22 ARG A 33 -2.885 -2.789 -10.966 1.00 2.12 H new ATOM 508 N CYS A 34 -3.291 1.018 -3.747 1.00 0.39 N ATOM 509 CA CYS A 34 -3.848 2.097 -2.938 1.00 0.41 C ATOM 510 C CYS A 34 -3.970 3.386 -3.751 1.00 0.41 C ATOM 511 O CYS A 34 -3.408 4.418 -3.385 1.00 0.47 O ATOM 512 CB CYS A 34 -2.989 2.333 -1.692 1.00 0.44 C ATOM 513 SG CYS A 34 -3.947 2.458 -0.144 1.00 0.94 S ATOM 0 H CYS A 34 -2.730 1.333 -4.539 1.00 0.39 H new ATOM 0 HA CYS A 34 -4.848 1.798 -2.622 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.271 1.518 -1.598 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.415 3.250 -1.827 1.00 0.44 H new ATOM 518 N PRO A 35 -4.712 3.343 -4.873 1.00 0.41 N ATOM 519 CA PRO A 35 -4.904 4.509 -5.739 1.00 0.44 C ATOM 520 C PRO A 35 -5.921 5.495 -5.170 1.00 0.34 C ATOM 521 O PRO A 35 -7.088 5.156 -4.973 1.00 0.34 O ATOM 522 CB PRO A 35 -5.425 3.890 -7.035 1.00 0.57 C ATOM 523 CG PRO A 35 -6.145 2.661 -6.601 1.00 0.54 C ATOM 524 CD PRO A 35 -5.417 2.151 -5.385 1.00 0.44 C ATOM 0 HA PRO A 35 -3.989 5.089 -5.860 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.090 4.574 -7.562 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -4.609 3.651 -7.717 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.186 2.883 -6.366 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.150 1.913 -7.394 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.108 1.746 -4.645 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -4.720 1.353 -5.641 1.00 0.44 H new ATOM 532 N ALA A 36 -5.470 6.718 -4.913 1.00 0.35 N ATOM 533 CA ALA A 36 -6.338 7.756 -4.370 1.00 0.33 C ATOM 534 C ALA A 36 -6.170 9.066 -5.131 1.00 0.32 C ATOM 535 O ALA A 36 -5.139 9.730 -5.023 1.00 0.38 O ATOM 536 CB ALA A 36 -6.050 7.962 -2.891 1.00 0.40 C ATOM 0 H ALA A 36 -4.507 7.015 -5.072 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.371 7.429 -4.486 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.705 8.740 -2.498 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.228 7.031 -2.353 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -5.010 8.263 -2.761 1.00 0.40 H new ATOM 542 N GLY A 37 -7.190 9.433 -5.902 1.00 0.33 N ATOM 543 CA GLY A 37 -7.131 10.665 -6.669 1.00 0.36 C ATOM 544 C GLY A 37 -7.217 11.898 -5.791 1.00 0.35 C ATOM 545 O GLY A 37 -8.010 11.944 -4.851 1.00 0.37 O ATOM 0 H GLY A 37 -8.054 8.901 -6.009 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -6.201 10.691 -7.238 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.947 10.679 -7.391 1.00 0.36 H new ATOM 549 N GLY A 38 -6.399 12.900 -6.095 1.00 0.36 N ATOM 550 CA GLY A 38 -6.404 14.123 -5.313 1.00 0.39 C ATOM 551 C GLY A 38 -5.185 14.984 -5.568 1.00 0.37 C ATOM 552 O GLY A 38 -4.856 15.278 -6.717 1.00 0.42 O ATOM 0 H GLY A 38 -5.733 12.887 -6.868 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -7.303 14.694 -5.545 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -6.451 13.872 -4.253 1.00 0.39 H new ATOM 556 N ASN A 39 -4.516 15.402 -4.495 1.00 0.40 N ATOM 557 CA ASN A 39 -3.336 16.246 -4.630 1.00 0.47 C ATOM 558 C ASN A 39 -2.158 15.494 -5.253 1.00 0.36 C ATOM 559 O ASN A 39 -2.152 14.265 -5.316 1.00 0.34 O ATOM 560 CB ASN A 39 -2.932 16.788 -3.258 1.00 0.70 C ATOM 561 CG ASN A 39 -2.113 15.804 -2.424 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.926 16.018 -2.190 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.746 14.732 -1.960 1.00 2.89 N ATOM 0 H ASN A 39 -4.769 15.172 -3.534 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.593 17.068 -5.298 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.355 17.703 -3.394 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.832 17.058 -2.705 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -2.245 14.052 -1.388 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -3.733 14.589 -2.176 1.00 2.89 H new ATOM 570 N PRO A 40 -1.128 16.238 -5.699 1.00 0.39 N ATOM 571 CA PRO A 40 0.071 15.661 -6.287 1.00 0.39 C ATOM 572 C PRO A 40 1.123 15.319 -5.229 1.00 0.34 C ATOM 573 O PRO A 40 2.208 14.836 -5.553 1.00 0.40 O ATOM 574 CB PRO A 40 0.566 16.786 -7.189 1.00 0.51 C ATOM 575 CG PRO A 40 0.180 18.038 -6.472 1.00 0.52 C ATOM 576 CD PRO A 40 -1.041 17.712 -5.641 1.00 0.53 C ATOM 0 HA PRO A 40 -0.122 14.722 -6.806 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.644 16.730 -7.338 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.105 16.736 -8.176 1.00 0.51 H new ATOM 0 HG2 PRO A 40 0.996 18.387 -5.839 1.00 0.52 H new ATOM 0 HG3 PRO A 40 -0.038 18.837 -7.181 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.932 18.066 -4.616 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.937 18.181 -6.047 1.00 0.53 H new ATOM 584 N MET A 41 0.792 15.571 -3.960 1.00 0.31 N ATOM 585 CA MET A 41 1.698 15.292 -2.850 1.00 0.33 C ATOM 586 C MET A 41 1.080 14.277 -1.888 1.00 0.32 C ATOM 587 O MET A 41 0.624 14.638 -0.803 1.00 0.36 O ATOM 588 CB MET A 41 2.013 16.585 -2.092 1.00 0.39 C ATOM 589 CG MET A 41 3.456 16.684 -1.626 1.00 0.47 C ATOM 590 SD MET A 41 4.629 16.707 -2.996 1.00 1.30 S ATOM 591 CE MET A 41 4.419 18.379 -3.599 1.00 1.83 C ATOM 0 H MET A 41 -0.103 15.970 -3.678 1.00 0.31 H new ATOM 0 HA MET A 41 2.618 14.875 -3.259 1.00 0.33 H new ATOM 0 HB2 MET A 41 1.789 17.436 -2.735 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.355 16.658 -1.226 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.580 17.589 -1.031 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.682 15.840 -0.974 1.00 0.47 H new ATOM 0 HE1 MET A 41 4.175 18.355 -4.661 1.00 1.83 H new ATOM 0 HE2 MET A 41 3.610 18.864 -3.052 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.343 18.938 -3.451 1.00 1.83 H new ATOM 601 N PRO A 42 1.050 12.991 -2.272 1.00 0.32 N ATOM 602 CA PRO A 42 0.482 11.934 -1.447 1.00 0.34 C ATOM 603 C PRO A 42 1.522 11.251 -0.565 1.00 0.35 C ATOM 604 O PRO A 42 2.543 10.768 -1.057 1.00 0.43 O ATOM 605 CB PRO A 42 -0.042 10.965 -2.500 1.00 0.40 C ATOM 606 CG PRO A 42 0.929 11.078 -3.631 1.00 0.42 C ATOM 607 CD PRO A 42 1.552 12.457 -3.548 1.00 0.36 C ATOM 0 HA PRO A 42 -0.268 12.303 -0.747 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.086 9.946 -2.115 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -1.051 11.230 -2.816 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.694 10.305 -3.560 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.424 10.940 -4.587 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.641 12.406 -3.560 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.253 13.083 -4.389 1.00 0.36 H new ATOM 615 N THR A 43 1.253 11.198 0.734 1.00 0.32 N ATOM 616 CA THR A 43 2.164 10.556 1.673 1.00 0.35 C ATOM 617 C THR A 43 1.469 9.400 2.378 1.00 0.37 C ATOM 618 O THR A 43 0.658 9.609 3.278 1.00 0.48 O ATOM 619 CB THR A 43 2.685 11.552 2.727 1.00 0.41 C ATOM 620 OG1 THR A 43 3.044 12.788 2.098 1.00 0.94 O ATOM 621 CG2 THR A 43 3.892 10.983 3.460 1.00 1.00 C ATOM 0 H THR A 43 0.414 11.591 1.160 1.00 0.32 H new ATOM 0 HA THR A 43 3.012 10.183 1.099 1.00 0.35 H new ATOM 0 HB THR A 43 1.889 11.729 3.451 1.00 0.41 H new ATOM 0 HG1 THR A 43 3.372 13.416 2.775 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.242 11.704 4.199 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.610 10.057 3.962 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.689 10.780 2.745 1.00 1.00 H new ATOM 629 N MET A 44 1.781 8.182 1.955 1.00 0.35 N ATOM 630 CA MET A 44 1.167 6.995 2.539 1.00 0.41 C ATOM 631 C MET A 44 2.190 6.132 3.268 1.00 0.38 C ATOM 632 O MET A 44 3.372 6.124 2.929 1.00 0.40 O ATOM 633 CB MET A 44 0.449 6.169 1.462 1.00 0.49 C ATOM 634 CG MET A 44 1.034 6.324 0.066 1.00 0.86 C ATOM 635 SD MET A 44 -0.034 5.639 -1.214 1.00 1.82 S ATOM 636 CE MET A 44 -0.444 7.116 -2.139 1.00 2.30 C ATOM 0 H MET A 44 2.453 7.989 1.212 1.00 0.35 H new ATOM 0 HA MET A 44 0.434 7.336 3.270 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.483 5.117 1.744 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.602 6.458 1.438 1.00 0.49 H new ATOM 0 HG2 MET A 44 1.205 7.381 -0.137 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.005 5.830 0.026 1.00 0.86 H new ATOM 0 HE1 MET A 44 -0.651 6.850 -3.176 1.00 2.30 H new ATOM 0 HE2 MET A 44 -1.325 7.586 -1.702 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.394 7.812 -2.103 1.00 2.30 H new ATOM 646 N ARG A 45 1.712 5.402 4.270 1.00 0.36 N ATOM 647 CA ARG A 45 2.566 4.523 5.057 1.00 0.34 C ATOM 648 C ARG A 45 2.201 3.063 4.815 1.00 0.32 C ATOM 649 O ARG A 45 1.030 2.729 4.615 1.00 0.34 O ATOM 650 CB ARG A 45 2.443 4.850 6.546 1.00 0.37 C ATOM 651 CG ARG A 45 2.742 6.304 6.877 1.00 0.66 C ATOM 652 CD ARG A 45 1.909 6.787 8.053 1.00 0.88 C ATOM 653 NE ARG A 45 2.663 7.674 8.932 1.00 1.57 N ATOM 654 CZ ARG A 45 2.108 8.384 9.910 1.00 2.04 C ATOM 655 NH1 ARG A 45 0.804 8.307 10.130 1.00 2.22 N ATOM 656 NH2 ARG A 45 2.859 9.173 10.668 1.00 2.89 N ATOM 0 H ARG A 45 0.733 5.403 4.556 1.00 0.36 H new ATOM 0 HA ARG A 45 3.598 4.683 4.744 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.433 4.610 6.880 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.125 4.211 7.107 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.801 6.416 7.109 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.539 6.926 6.005 1.00 0.66 H new ATOM 0 HD2 ARG A 45 1.027 7.309 7.682 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.555 5.928 8.623 1.00 0.88 H new ATOM 0 HE ARG A 45 3.670 7.754 8.789 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.224 7.702 9.549 1.00 2.22 H new ATOM 0 HH12 ARG A 45 0.380 8.852 10.881 1.00 2.22 H new ATOM 0 HH21 ARG A 45 3.863 9.235 10.501 1.00 2.89 H new ATOM 0 HH22 ARG A 45 2.432 9.717 11.418 1.00 2.89 H new ATOM 670 N TRP A 46 3.209 2.196 4.839 1.00 0.31 N ATOM 671 CA TRP A 46 2.993 0.772 4.625 1.00 0.31 C ATOM 672 C TRP A 46 2.994 0.020 5.950 1.00 0.26 C ATOM 673 O TRP A 46 3.986 0.032 6.683 1.00 0.29 O ATOM 674 CB TRP A 46 4.072 0.201 3.703 1.00 0.39 C ATOM 675 CG TRP A 46 4.390 1.088 2.540 1.00 0.70 C ATOM 676 CD1 TRP A 46 5.630 1.472 2.117 1.00 1.52 C ATOM 677 CD2 TRP A 46 3.453 1.703 1.649 1.00 1.34 C ATOM 678 NE1 TRP A 46 5.521 2.285 1.015 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.194 2.443 0.708 1.00 1.46 C ATOM 680 CE3 TRP A 46 2.057 1.698 1.553 1.00 2.43 C ATOM 681 CZ2 TRP A 46 3.588 3.170 -0.313 1.00 2.14 C ATOM 682 CZ3 TRP A 46 1.458 2.421 0.540 1.00 3.28 C ATOM 683 CH2 TRP A 46 2.223 3.148 -0.381 1.00 3.02 C ATOM 0 H TRP A 46 4.181 2.456 5.004 1.00 0.31 H new ATOM 0 HA TRP A 46 2.019 0.645 4.153 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.981 0.032 4.281 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.745 -0.770 3.331 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.560 1.179 2.581 1.00 1.52 H new ATOM 0 HE1 TRP A 46 6.301 2.703 0.508 1.00 1.62 H new ATOM 0 HE3 TRP A 46 1.459 1.139 2.258 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 4.175 3.731 -1.025 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 0.381 2.426 0.457 1.00 3.28 H new ATOM 0 HH2 TRP A 46 1.724 3.703 -1.161 1.00 3.02 H new ATOM 694 N LEU A 47 1.878 -0.637 6.249 1.00 0.25 N ATOM 695 CA LEU A 47 1.746 -1.398 7.483 1.00 0.26 C ATOM 696 C LEU A 47 1.214 -2.801 7.207 1.00 0.24 C ATOM 697 O LEU A 47 0.220 -2.972 6.502 1.00 0.31 O ATOM 698 CB LEU A 47 0.820 -0.669 8.460 1.00 0.37 C ATOM 699 CG LEU A 47 1.523 -0.004 9.643 1.00 0.80 C ATOM 700 CD1 LEU A 47 2.559 0.997 9.153 1.00 1.58 C ATOM 701 CD2 LEU A 47 0.512 0.676 10.553 1.00 1.53 C ATOM 0 H LEU A 47 1.052 -0.657 5.652 1.00 0.25 H new ATOM 0 HA LEU A 47 2.736 -1.489 7.931 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.265 0.092 7.912 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.089 -1.381 8.844 1.00 0.37 H new ATOM 0 HG LEU A 47 2.035 -0.776 10.217 1.00 0.80 H new ATOM 0 HD11 LEU A 47 3.050 1.461 10.009 1.00 1.58 H new ATOM 0 HD12 LEU A 47 3.302 0.483 8.543 1.00 1.58 H new ATOM 0 HD13 LEU A 47 2.068 1.765 8.556 1.00 1.58 H new ATOM 0 HD21 LEU A 47 1.032 1.144 11.389 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -0.029 1.437 9.991 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.192 -0.065 10.932 1.00 1.53 H new ATOM 713 N LYS A 48 1.884 -3.799 7.770 1.00 0.22 N ATOM 714 CA LYS A 48 1.489 -5.193 7.592 1.00 0.25 C ATOM 715 C LYS A 48 1.239 -5.853 8.944 1.00 0.26 C ATOM 716 O LYS A 48 2.171 -6.085 9.713 1.00 0.31 O ATOM 717 CB LYS A 48 2.559 -5.978 6.817 1.00 0.34 C ATOM 718 CG LYS A 48 3.924 -5.301 6.758 1.00 0.41 C ATOM 719 CD LYS A 48 5.007 -6.265 6.302 1.00 0.88 C ATOM 720 CE LYS A 48 4.731 -6.791 4.903 1.00 0.73 C ATOM 721 NZ LYS A 48 5.972 -7.270 4.233 1.00 1.37 N ATOM 0 H LYS A 48 2.708 -3.669 8.357 1.00 0.22 H new ATOM 0 HA LYS A 48 0.566 -5.206 7.012 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.674 -6.960 7.276 1.00 0.34 H new ATOM 0 HB3 LYS A 48 2.205 -6.142 5.799 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.881 -4.452 6.076 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.178 -4.906 7.742 1.00 0.41 H new ATOM 0 HD2 LYS A 48 5.974 -5.762 6.319 1.00 0.88 H new ATOM 0 HD3 LYS A 48 5.070 -7.100 7.000 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.010 -7.607 4.958 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.276 -6.003 4.303 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 6.129 -6.724 3.362 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 6.783 -7.143 4.872 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 5.872 -8.278 3.997 1.00 1.37 H new ATOM 735 N ASN A 49 -0.025 -6.151 9.227 1.00 0.28 N ATOM 736 CA ASN A 49 -0.405 -6.784 10.488 1.00 0.35 C ATOM 737 C ASN A 49 0.265 -6.103 11.681 1.00 0.39 C ATOM 738 O ASN A 49 0.510 -6.733 12.710 1.00 0.50 O ATOM 739 CB ASN A 49 -0.044 -8.270 10.470 1.00 0.38 C ATOM 740 CG ASN A 49 -1.058 -9.125 11.206 1.00 0.75 C ATOM 741 OD1 ASN A 49 -2.044 -8.617 11.740 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.819 -10.431 11.237 1.00 1.32 N ATOM 0 H ASN A 49 -0.807 -5.964 8.599 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.484 -6.677 10.597 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.031 -8.610 9.437 1.00 0.38 H new ATOM 0 HB3 ASN A 49 0.938 -8.407 10.922 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.466 -11.057 11.717 1.00 1.32 H new ATOM 0 HD22 ASN A 49 0.011 -10.808 10.780 1.00 1.32 H new ATOM 749 N GLY A 50 0.554 -4.812 11.542 1.00 0.38 N ATOM 750 CA GLY A 50 1.185 -4.073 12.624 1.00 0.45 C ATOM 751 C GLY A 50 2.651 -3.766 12.363 1.00 0.48 C ATOM 752 O GLY A 50 3.271 -3.006 13.106 1.00 0.68 O ATOM 0 H GLY A 50 0.364 -4.265 10.702 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.647 -3.138 12.779 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.099 -4.647 13.546 1.00 0.45 H new ATOM 756 N LYS A 51 3.207 -4.355 11.307 1.00 0.36 N ATOM 757 CA LYS A 51 4.608 -4.137 10.959 1.00 0.39 C ATOM 758 C LYS A 51 4.741 -3.026 9.923 1.00 0.38 C ATOM 759 O LYS A 51 3.938 -2.932 8.999 1.00 0.39 O ATOM 760 CB LYS A 51 5.224 -5.431 10.421 1.00 0.42 C ATOM 761 CG LYS A 51 6.692 -5.302 10.050 1.00 0.53 C ATOM 762 CD LYS A 51 6.902 -5.428 8.551 1.00 0.75 C ATOM 763 CE LYS A 51 8.361 -5.230 8.173 1.00 0.82 C ATOM 764 NZ LYS A 51 9.220 -6.338 8.675 1.00 1.36 N ATOM 0 H LYS A 51 2.709 -4.986 10.679 1.00 0.36 H new ATOM 0 HA LYS A 51 5.142 -3.835 11.860 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.116 -6.214 11.172 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.664 -5.752 9.543 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.071 -4.339 10.392 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.267 -6.072 10.565 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.569 -6.411 8.218 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.288 -4.691 8.034 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.449 -5.165 7.089 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.716 -4.283 8.579 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.187 -6.219 8.311 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.236 -6.321 9.715 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 8.837 -7.249 8.350 1.00 1.36 H new ATOM 778 N GLU A 52 5.760 -2.190 10.074 1.00 0.38 N ATOM 779 CA GLU A 52 5.987 -1.095 9.140 1.00 0.39 C ATOM 780 C GLU A 52 7.179 -1.393 8.240 1.00 0.43 C ATOM 781 O GLU A 52 8.160 -1.998 8.671 1.00 0.49 O ATOM 782 CB GLU A 52 6.221 0.216 9.894 1.00 0.44 C ATOM 783 CG GLU A 52 7.495 0.221 10.722 1.00 1.03 C ATOM 784 CD GLU A 52 7.232 0.487 12.191 1.00 1.38 C ATOM 785 OE1 GLU A 52 6.977 1.657 12.546 1.00 1.71 O ATOM 786 OE2 GLU A 52 7.282 -0.475 12.986 1.00 1.90 O ATOM 0 H GLU A 52 6.440 -2.249 10.832 1.00 0.38 H new ATOM 0 HA GLU A 52 5.096 -0.992 8.520 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.260 1.036 9.177 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.371 0.406 10.549 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.998 -0.740 10.615 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.173 0.981 10.334 1.00 1.03 H new ATOM 793 N PHE A 53 7.091 -0.964 6.985 1.00 0.43 N ATOM 794 CA PHE A 53 8.168 -1.189 6.031 1.00 0.50 C ATOM 795 C PHE A 53 8.432 0.056 5.193 1.00 0.56 C ATOM 796 O PHE A 53 7.542 0.555 4.505 1.00 0.70 O ATOM 797 CB PHE A 53 7.836 -2.369 5.116 1.00 0.57 C ATOM 798 CG PHE A 53 8.999 -3.289 4.879 1.00 1.46 C ATOM 799 CD1 PHE A 53 10.293 -2.796 4.837 1.00 1.99 C ATOM 800 CD2 PHE A 53 8.797 -4.647 4.699 1.00 2.42 C ATOM 801 CE1 PHE A 53 11.366 -3.640 4.620 1.00 3.14 C ATOM 802 CE2 PHE A 53 9.866 -5.497 4.481 1.00 3.55 C ATOM 803 CZ PHE A 53 11.151 -4.993 4.441 1.00 3.85 C ATOM 0 H PHE A 53 6.288 -0.461 6.607 1.00 0.43 H new ATOM 0 HA PHE A 53 9.070 -1.419 6.598 1.00 0.50 H new ATOM 0 HB2 PHE A 53 7.016 -2.938 5.554 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.484 -1.988 4.158 1.00 0.57 H new ATOM 0 HD1 PHE A 53 10.466 -1.739 4.976 1.00 1.99 H new ATOM 0 HD2 PHE A 53 7.794 -5.047 4.729 1.00 2.42 H new ATOM 0 HE1 PHE A 53 12.370 -3.243 4.590 1.00 3.14 H new ATOM 0 HE2 PHE A 53 9.696 -6.554 4.342 1.00 3.55 H new ATOM 0 HZ PHE A 53 11.987 -5.655 4.270 1.00 3.85 H new ATOM 813 N LYS A 54 9.665 0.548 5.249 1.00 0.64 N ATOM 814 CA LYS A 54 10.050 1.730 4.491 1.00 0.77 C ATOM 815 C LYS A 54 10.216 1.389 3.014 1.00 1.29 C ATOM 816 O LYS A 54 10.764 0.342 2.668 1.00 1.12 O ATOM 817 CB LYS A 54 11.351 2.316 5.042 1.00 0.86 C ATOM 818 CG LYS A 54 12.501 1.325 5.066 1.00 1.43 C ATOM 819 CD LYS A 54 13.808 1.999 5.453 1.00 1.82 C ATOM 820 CE LYS A 54 14.379 1.412 6.733 1.00 2.44 C ATOM 821 NZ LYS A 54 15.773 1.873 6.983 1.00 3.19 N ATOM 0 H LYS A 54 10.414 0.145 5.812 1.00 0.64 H new ATOM 0 HA LYS A 54 9.259 2.473 4.591 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.637 3.177 4.438 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.176 2.681 6.054 1.00 0.86 H new ATOM 0 HG2 LYS A 54 12.279 0.525 5.773 1.00 1.43 H new ATOM 0 HG3 LYS A 54 12.605 0.863 4.084 1.00 1.43 H new ATOM 0 HD2 LYS A 54 14.531 1.885 4.645 1.00 1.82 H new ATOM 0 HD3 LYS A 54 13.642 3.068 5.584 1.00 1.82 H new ATOM 0 HE2 LYS A 54 13.747 1.694 7.575 1.00 2.44 H new ATOM 0 HE3 LYS A 54 14.362 0.324 6.672 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 16.126 1.450 7.865 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 16.382 1.582 6.192 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 15.786 2.910 7.067 1.00 3.19 H new ATOM 835 N GLN A 55 9.741 2.276 2.148 1.00 2.12 N ATOM 836 CA GLN A 55 9.839 2.063 0.710 1.00 2.84 C ATOM 837 C GLN A 55 11.293 1.916 0.277 1.00 2.74 C ATOM 838 O GLN A 55 11.584 1.317 -0.757 1.00 3.04 O ATOM 839 CB GLN A 55 9.185 3.223 -0.042 1.00 3.80 C ATOM 840 CG GLN A 55 9.654 4.591 0.429 1.00 4.05 C ATOM 841 CD GLN A 55 8.520 5.442 0.969 1.00 4.76 C ATOM 842 OE1 GLN A 55 7.347 5.108 0.809 1.00 5.13 O ATOM 843 NE2 GLN A 55 8.867 6.551 1.613 1.00 5.27 N ATOM 0 H GLN A 55 9.285 3.148 2.416 1.00 2.12 H new ATOM 0 HA GLN A 55 9.314 1.139 0.469 1.00 2.84 H new ATOM 0 HB2 GLN A 55 9.397 3.121 -1.106 1.00 3.80 H new ATOM 0 HB3 GLN A 55 8.103 3.158 0.075 1.00 3.80 H new ATOM 0 HG2 GLN A 55 10.410 4.465 1.204 1.00 4.05 H new ATOM 0 HG3 GLN A 55 10.132 5.113 -0.400 1.00 4.05 H new ATOM 0 HE21 GLN A 55 9.853 6.790 1.723 1.00 5.27 H new ATOM 0 HE22 GLN A 55 8.148 7.164 1.998 1.00 5.27 H new ATOM 852 N GLU A 56 12.202 2.459 1.079 1.00 2.55 N ATOM 853 CA GLU A 56 13.624 2.382 0.775 1.00 2.90 C ATOM 854 C GLU A 56 14.205 1.019 1.155 1.00 2.31 C ATOM 855 O GLU A 56 15.391 0.768 0.949 1.00 2.87 O ATOM 856 CB GLU A 56 14.383 3.487 1.512 1.00 3.47 C ATOM 857 CG GLU A 56 14.366 4.826 0.791 1.00 4.30 C ATOM 858 CD GLU A 56 15.626 5.632 1.031 1.00 5.06 C ATOM 859 OE1 GLU A 56 15.803 6.139 2.157 1.00 5.55 O ATOM 860 OE2 GLU A 56 16.438 5.757 0.089 1.00 5.47 O ATOM 0 H GLU A 56 11.980 2.956 1.942 1.00 2.55 H new ATOM 0 HA GLU A 56 13.739 2.515 -0.301 1.00 2.90 H new ATOM 0 HB2 GLU A 56 13.950 3.613 2.504 1.00 3.47 H new ATOM 0 HB3 GLU A 56 15.417 3.173 1.653 1.00 3.47 H new ATOM 0 HG2 GLU A 56 14.245 4.657 -0.279 1.00 4.30 H new ATOM 0 HG3 GLU A 56 13.502 5.402 1.122 1.00 4.30 H new ATOM 867 N HIS A 57 13.373 0.138 1.717 1.00 1.41 N ATOM 868 CA HIS A 57 13.838 -1.182 2.118 1.00 1.04 C ATOM 869 C HIS A 57 12.766 -2.247 1.905 1.00 0.97 C ATOM 870 O HIS A 57 11.639 -2.118 2.382 1.00 1.34 O ATOM 871 CB HIS A 57 14.271 -1.167 3.584 1.00 1.30 C ATOM 872 CG HIS A 57 15.568 -1.871 3.834 1.00 1.65 C ATOM 873 ND1 HIS A 57 16.114 -2.777 2.949 1.00 2.34 N ATOM 874 CD2 HIS A 57 16.431 -1.797 4.875 1.00 2.26 C ATOM 875 CE1 HIS A 57 17.257 -3.230 3.436 1.00 2.86 C ATOM 876 NE2 HIS A 57 17.471 -2.651 4.602 1.00 2.77 N ATOM 0 H HIS A 57 12.386 0.317 1.901 1.00 1.41 H new ATOM 0 HA HIS A 57 14.692 -1.435 1.489 1.00 1.04 H new ATOM 0 HB2 HIS A 57 14.359 -0.133 3.918 1.00 1.30 H new ATOM 0 HB3 HIS A 57 13.492 -1.632 4.189 1.00 1.30 H new ATOM 0 HD2 HIS A 57 16.322 -1.181 5.756 1.00 2.26 H new ATOM 0 HE1 HIS A 57 17.905 -3.951 2.960 1.00 2.86 H new ATOM 0 HE2 HIS A 57 18.279 -2.812 5.204 1.00 2.77 H new ATOM 885 N ARG A 58 13.137 -3.311 1.197 1.00 1.00 N ATOM 886 CA ARG A 58 12.227 -4.418 0.927 1.00 0.92 C ATOM 887 C ARG A 58 13.012 -5.693 0.642 1.00 0.69 C ATOM 888 O ARG A 58 14.133 -5.643 0.129 1.00 0.78 O ATOM 889 CB ARG A 58 11.308 -4.092 -0.248 1.00 1.23 C ATOM 890 CG ARG A 58 9.870 -3.818 0.162 1.00 1.36 C ATOM 891 CD ARG A 58 9.227 -2.766 -0.728 1.00 1.75 C ATOM 892 NE ARG A 58 8.194 -2.011 -0.024 1.00 2.44 N ATOM 893 CZ ARG A 58 7.388 -1.136 -0.616 1.00 3.22 C ATOM 894 NH1 ARG A 58 7.492 -0.912 -1.919 1.00 3.53 N ATOM 895 NH2 ARG A 58 6.477 -0.486 0.094 1.00 3.98 N ATOM 0 H ARG A 58 14.068 -3.429 0.798 1.00 1.00 H new ATOM 0 HA ARG A 58 11.610 -4.574 1.812 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.699 -3.221 -0.774 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.324 -4.924 -0.953 1.00 1.23 H new ATOM 0 HG2 ARG A 58 9.294 -4.742 0.110 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.844 -3.484 1.199 1.00 1.36 H new ATOM 0 HD2 ARG A 58 9.993 -2.081 -1.091 1.00 1.75 H new ATOM 0 HD3 ARG A 58 8.791 -3.249 -1.603 1.00 1.75 H new ATOM 0 HE ARG A 58 8.085 -2.164 0.979 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.191 -1.412 -2.468 1.00 3.53 H new ATOM 0 HH12 ARG A 58 6.873 -0.240 -2.372 1.00 3.53 H new ATOM 0 HH21 ARG A 58 6.394 -0.657 1.096 1.00 3.98 H new ATOM 0 HH22 ARG A 58 5.859 0.185 -0.362 1.00 3.98 H new ATOM 909 N ILE A 59 12.424 -6.834 0.975 1.00 0.67 N ATOM 910 CA ILE A 59 13.081 -8.117 0.758 1.00 0.66 C ATOM 911 C ILE A 59 13.157 -8.469 -0.720 1.00 0.59 C ATOM 912 O ILE A 59 12.198 -8.979 -1.298 1.00 0.57 O ATOM 913 CB ILE A 59 12.362 -9.259 1.502 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.997 -8.830 2.924 1.00 1.05 C ATOM 915 CG2 ILE A 59 13.237 -10.503 1.528 1.00 1.16 C ATOM 916 CD1 ILE A 59 13.182 -8.366 3.741 1.00 1.64 C ATOM 0 H ILE A 59 11.497 -6.898 1.395 1.00 0.67 H new ATOM 0 HA ILE A 59 14.091 -8.010 1.154 1.00 0.66 H new ATOM 0 HB ILE A 59 11.440 -9.493 0.969 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.263 -8.025 2.874 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.519 -9.666 3.435 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.717 -11.302 2.056 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.448 -10.821 0.507 1.00 1.16 H new ATOM 0 HG23 ILE A 59 14.173 -10.279 2.039 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.847 -8.078 4.737 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.907 -9.176 3.822 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.647 -7.510 3.253 1.00 1.64 H new ATOM 928 N GLY A 60 14.311 -8.212 -1.321 1.00 0.70 N ATOM 929 CA GLY A 60 14.498 -8.530 -2.722 1.00 0.77 C ATOM 930 C GLY A 60 14.407 -7.324 -3.633 1.00 0.74 C ATOM 931 O GLY A 60 14.727 -7.423 -4.818 1.00 0.79 O ATOM 0 H GLY A 60 15.119 -7.790 -0.864 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.472 -9.001 -2.852 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.748 -9.261 -3.024 1.00 0.77 H new ATOM 935 N GLY A 61 13.967 -6.182 -3.108 1.00 0.70 N ATOM 936 CA GLY A 61 13.852 -4.996 -3.938 1.00 0.72 C ATOM 937 C GLY A 61 12.547 -4.259 -3.705 1.00 0.74 C ATOM 938 O GLY A 61 11.632 -4.797 -3.084 1.00 1.20 O ATOM 0 H GLY A 61 13.691 -6.058 -2.134 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.687 -4.327 -3.731 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.924 -5.281 -4.988 1.00 0.72 H new ATOM 942 N TYR A 62 12.456 -3.025 -4.196 1.00 0.69 N ATOM 943 CA TYR A 62 11.244 -2.231 -4.019 1.00 0.84 C ATOM 944 C TYR A 62 10.859 -1.486 -5.293 1.00 0.73 C ATOM 945 O TYR A 62 11.719 -1.028 -6.047 1.00 0.97 O ATOM 946 CB TYR A 62 11.429 -1.232 -2.874 1.00 1.36 C ATOM 947 CG TYR A 62 12.436 -0.143 -3.168 1.00 1.92 C ATOM 948 CD1 TYR A 62 13.800 -0.396 -3.108 1.00 2.32 C ATOM 949 CD2 TYR A 62 12.021 1.138 -3.506 1.00 2.43 C ATOM 950 CE1 TYR A 62 14.723 0.596 -3.378 1.00 3.05 C ATOM 951 CE2 TYR A 62 12.935 2.137 -3.779 1.00 3.07 C ATOM 952 CZ TYR A 62 14.287 1.863 -3.702 1.00 3.35 C ATOM 953 OH TYR A 62 15.200 2.858 -3.984 1.00 4.10 O ATOM 0 H TYR A 62 13.200 -2.557 -4.715 1.00 0.69 H new ATOM 0 HA TYR A 62 10.436 -2.922 -3.778 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.467 -0.772 -2.647 1.00 1.36 H new ATOM 0 HB3 TYR A 62 11.743 -1.772 -1.981 1.00 1.36 H new ATOM 0 HD1 TYR A 62 14.145 -1.385 -2.846 1.00 2.32 H new ATOM 0 HD2 TYR A 62 10.965 1.357 -3.556 1.00 2.43 H new ATOM 0 HE1 TYR A 62 15.780 0.380 -3.335 1.00 3.05 H new ATOM 0 HE2 TYR A 62 12.595 3.125 -4.051 1.00 3.07 H new ATOM 0 HH TYR A 62 14.724 3.689 -4.194 1.00 4.10 H new ATOM 963 N LYS A 63 9.553 -1.361 -5.513 1.00 0.66 N ATOM 964 CA LYS A 63 9.023 -0.663 -6.677 1.00 0.78 C ATOM 965 C LYS A 63 7.750 0.088 -6.302 1.00 0.67 C ATOM 966 O LYS A 63 6.795 -0.505 -5.800 1.00 0.54 O ATOM 967 CB LYS A 63 8.739 -1.648 -7.813 1.00 1.11 C ATOM 968 CG LYS A 63 9.522 -1.356 -9.082 1.00 1.28 C ATOM 969 CD LYS A 63 10.908 -1.982 -9.038 1.00 1.83 C ATOM 970 CE LYS A 63 10.835 -3.500 -9.079 1.00 2.36 C ATOM 971 NZ LYS A 63 11.560 -4.060 -10.252 1.00 3.18 N ATOM 0 H LYS A 63 8.837 -1.739 -4.892 1.00 0.66 H new ATOM 0 HA LYS A 63 9.769 0.053 -7.021 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.975 -2.657 -7.475 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.673 -1.629 -8.041 1.00 1.11 H new ATOM 0 HG2 LYS A 63 8.976 -1.739 -9.944 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.612 -0.278 -9.215 1.00 1.28 H new ATOM 0 HD2 LYS A 63 11.498 -1.622 -9.881 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.423 -1.666 -8.131 1.00 1.83 H new ATOM 0 HE2 LYS A 63 11.259 -3.909 -8.162 1.00 2.36 H new ATOM 0 HE3 LYS A 63 9.791 -3.812 -9.115 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.486 -5.097 -10.243 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 11.140 -3.691 -11.129 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 12.562 -3.784 -10.205 1.00 3.18 H new ATOM 985 N VAL A 64 7.744 1.393 -6.540 1.00 0.81 N ATOM 986 CA VAL A 64 6.587 2.219 -6.215 1.00 0.77 C ATOM 987 C VAL A 64 6.284 3.227 -7.316 1.00 0.82 C ATOM 988 O VAL A 64 7.193 3.791 -7.923 1.00 0.89 O ATOM 989 CB VAL A 64 6.793 2.974 -4.889 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.919 3.988 -5.020 1.00 1.49 C ATOM 991 CG2 VAL A 64 5.501 3.652 -4.455 1.00 1.71 C ATOM 0 H VAL A 64 8.524 1.902 -6.956 1.00 0.81 H new ATOM 0 HA VAL A 64 5.741 1.539 -6.117 1.00 0.77 H new ATOM 0 HB VAL A 64 7.074 2.253 -4.121 1.00 0.85 H new ATOM 0 HG11 VAL A 64 8.049 4.511 -4.073 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.844 3.473 -5.280 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.672 4.707 -5.801 1.00 1.49 H new ATOM 0 HG21 VAL A 64 5.665 4.181 -3.516 1.00 1.71 H new ATOM 0 HG22 VAL A 64 5.187 4.361 -5.221 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.724 2.900 -4.317 1.00 1.71 H new ATOM 1001 N ARG A 65 4.997 3.446 -7.570 1.00 0.82 N ATOM 1002 CA ARG A 65 4.574 4.387 -8.598 1.00 0.92 C ATOM 1003 C ARG A 65 4.916 5.823 -8.195 1.00 1.03 C ATOM 1004 O ARG A 65 4.748 6.210 -7.040 1.00 1.18 O ATOM 1005 CB ARG A 65 3.067 4.227 -8.872 1.00 0.96 C ATOM 1006 CG ARG A 65 2.167 5.134 -8.041 1.00 1.51 C ATOM 1007 CD ARG A 65 2.353 4.902 -6.549 1.00 2.02 C ATOM 1008 NE ARG A 65 2.297 6.148 -5.789 1.00 2.60 N ATOM 1009 CZ ARG A 65 2.361 6.204 -4.462 1.00 3.22 C ATOM 1010 NH1 ARG A 65 2.477 5.089 -3.754 1.00 3.52 N ATOM 1011 NH2 ARG A 65 2.309 7.376 -3.843 1.00 3.99 N ATOM 0 H ARG A 65 4.232 2.985 -7.078 1.00 0.82 H new ATOM 0 HA ARG A 65 5.115 4.168 -9.519 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.881 4.423 -9.928 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.786 3.190 -8.686 1.00 0.96 H new ATOM 0 HG2 ARG A 65 2.384 6.176 -8.277 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.125 4.957 -8.309 1.00 1.51 H new ATOM 0 HD2 ARG A 65 1.580 4.223 -6.189 1.00 2.02 H new ATOM 0 HD3 ARG A 65 3.312 4.414 -6.375 1.00 2.02 H new ATOM 0 HE ARG A 65 2.204 7.023 -6.304 1.00 2.60 H new ATOM 0 HH11 ARG A 65 2.517 4.186 -4.227 1.00 3.52 H new ATOM 0 HH12 ARG A 65 2.526 5.134 -2.736 1.00 3.52 H new ATOM 0 HH21 ARG A 65 2.220 8.235 -4.385 1.00 3.99 H new ATOM 0 HH22 ARG A 65 2.358 7.418 -2.825 1.00 3.99 H new ATOM 1025 N ASN A 66 5.397 6.603 -9.157 1.00 1.03 N ATOM 1026 CA ASN A 66 5.764 7.992 -8.903 1.00 1.16 C ATOM 1027 C ASN A 66 4.557 8.912 -9.062 1.00 1.03 C ATOM 1028 O ASN A 66 4.535 9.775 -9.940 1.00 1.79 O ATOM 1029 CB ASN A 66 6.882 8.427 -9.853 1.00 1.96 C ATOM 1030 CG ASN A 66 8.148 7.612 -9.670 1.00 2.83 C ATOM 1031 OD1 ASN A 66 8.157 6.401 -9.889 1.00 3.41 O ATOM 1032 ND2 ASN A 66 9.223 8.276 -9.263 1.00 3.48 N ATOM 0 H ASN A 66 5.542 6.298 -10.119 1.00 1.03 H new ATOM 0 HA ASN A 66 6.120 8.066 -7.876 1.00 1.16 H new ATOM 0 HB2 ASN A 66 6.537 8.331 -10.883 1.00 1.96 H new ATOM 0 HB3 ASN A 66 7.105 9.481 -9.688 1.00 1.96 H new ATOM 0 HD21 ASN A 66 10.104 7.782 -9.119 1.00 3.48 H new ATOM 0 HD22 ASN A 66 9.168 9.280 -9.094 1.00 3.48 H new ATOM 1039 N GLN A 67 3.557 8.722 -8.207 1.00 1.15 N ATOM 1040 CA GLN A 67 2.348 9.538 -8.253 1.00 1.99 C ATOM 1041 C GLN A 67 1.347 9.091 -7.192 1.00 1.73 C ATOM 1042 O GLN A 67 1.260 9.685 -6.119 1.00 2.55 O ATOM 1043 CB GLN A 67 1.710 9.459 -9.643 1.00 2.86 C ATOM 1044 CG GLN A 67 0.359 10.149 -9.734 1.00 3.88 C ATOM 1045 CD GLN A 67 -0.138 10.269 -11.161 1.00 4.69 C ATOM 1046 OE1 GLN A 67 -0.137 9.295 -11.915 1.00 5.12 O ATOM 1047 NE2 GLN A 67 -0.565 11.468 -11.541 1.00 5.31 N ATOM 0 H GLN A 67 3.559 8.012 -7.475 1.00 1.15 H new ATOM 0 HA GLN A 67 2.627 10.571 -8.046 1.00 1.99 H new ATOM 0 HB2 GLN A 67 2.387 9.907 -10.370 1.00 2.86 H new ATOM 0 HB3 GLN A 67 1.593 8.411 -9.920 1.00 2.86 H new ATOM 0 HG2 GLN A 67 -0.370 9.592 -9.145 1.00 3.88 H new ATOM 0 HG3 GLN A 67 0.432 11.143 -9.294 1.00 3.88 H new ATOM 0 HE21 GLN A 67 -0.548 12.247 -10.883 1.00 5.31 H new ATOM 0 HE22 GLN A 67 -0.910 11.609 -12.491 1.00 5.31 H new ATOM 1056 N HIS A 68 0.591 8.039 -7.501 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.410 7.505 -6.577 1.00 0.62 C ATOM 1058 C HIS A 68 -1.316 6.510 -7.293 1.00 0.68 C ATOM 1059 O HIS A 68 -2.343 6.889 -7.859 1.00 1.37 O ATOM 1060 CB HIS A 68 -1.252 8.638 -5.980 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.684 9.659 -6.985 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.063 10.884 -7.130 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -2.679 9.637 -7.905 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -1.659 11.569 -8.091 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.640 10.834 -8.576 1.00 2.83 N ATOM 0 H HIS A 68 0.653 7.538 -8.387 1.00 0.89 H new ATOM 0 HA HIS A 68 0.112 6.992 -5.769 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -2.136 8.211 -5.506 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.677 9.132 -5.197 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -0.268 11.210 -6.581 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -3.373 8.828 -8.078 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -1.389 12.561 -8.422 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.928 5.240 -7.271 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.704 4.193 -7.926 1.00 0.45 C ATOM 1076 C TRP A 69 -1.437 2.832 -7.288 1.00 0.37 C ATOM 1077 O TRP A 69 -2.247 2.334 -6.508 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.371 4.151 -9.419 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.012 3.007 -10.144 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.329 2.651 -10.113 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -1.362 2.070 -11.009 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -3.538 1.548 -10.906 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -2.346 1.172 -11.467 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.043 1.902 -11.442 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -2.051 0.124 -12.336 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 0.247 0.860 -12.303 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -0.752 -0.016 -12.744 1.00 3.14 C ATOM 0 H TRP A 69 -0.081 4.910 -6.807 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.762 4.423 -7.802 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.689 5.086 -9.880 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.290 4.087 -9.540 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.095 3.161 -9.548 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -4.435 1.085 -11.053 1.00 1.72 H new ATOM 0 HE3 TRP A 69 0.735 2.574 -11.110 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -2.820 -0.554 -12.676 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 1.263 0.719 -12.642 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -0.493 -0.818 -13.419 1.00 3.14 H new ATOM 1098 N SER A 70 -0.300 2.232 -7.628 1.00 0.35 N ATOM 1099 CA SER A 70 0.058 0.927 -7.087 1.00 0.33 C ATOM 1100 C SER A 70 1.512 0.890 -6.627 1.00 0.36 C ATOM 1101 O SER A 70 2.343 1.686 -7.072 1.00 0.39 O ATOM 1102 CB SER A 70 -0.183 -0.166 -8.132 1.00 0.40 C ATOM 1103 OG SER A 70 -1.381 0.074 -8.851 1.00 1.02 O ATOM 0 H SER A 70 0.385 2.627 -8.272 1.00 0.35 H new ATOM 0 HA SER A 70 -0.576 0.745 -6.220 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.659 -0.205 -8.823 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.238 -1.138 -7.641 1.00 0.40 H new ATOM 0 HG SER A 70 -1.164 0.355 -9.764 1.00 1.02 H new ATOM 1109 N LEU A 71 1.814 -0.060 -5.748 1.00 0.38 N ATOM 1110 CA LEU A 71 3.164 -0.243 -5.233 1.00 0.44 C ATOM 1111 C LEU A 71 3.439 -1.733 -5.044 1.00 0.44 C ATOM 1112 O LEU A 71 2.601 -2.455 -4.506 1.00 0.52 O ATOM 1113 CB LEU A 71 3.345 0.505 -3.912 1.00 0.51 C ATOM 1114 CG LEU A 71 2.473 0.009 -2.761 1.00 0.63 C ATOM 1115 CD1 LEU A 71 3.331 -0.352 -1.557 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.438 1.057 -2.387 1.00 0.80 C ATOM 0 H LEU A 71 1.133 -0.721 -5.375 1.00 0.38 H new ATOM 0 HA LEU A 71 3.875 0.165 -5.951 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.390 0.433 -3.612 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.133 1.561 -4.079 1.00 0.51 H new ATOM 0 HG LEU A 71 1.949 -0.889 -3.088 1.00 0.63 H new ATOM 0 HD11 LEU A 71 2.692 -0.703 -0.747 1.00 0.98 H new ATOM 0 HD12 LEU A 71 4.033 -1.139 -1.833 1.00 0.98 H new ATOM 0 HD13 LEU A 71 3.884 0.528 -1.227 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.825 0.686 -1.565 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.942 1.973 -2.079 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.803 1.264 -3.248 1.00 0.80 H new ATOM 1128 N ILE A 72 4.599 -2.199 -5.494 1.00 0.39 N ATOM 1129 CA ILE A 72 4.932 -3.613 -5.367 1.00 0.39 C ATOM 1130 C ILE A 72 6.146 -3.841 -4.468 1.00 0.36 C ATOM 1131 O ILE A 72 7.212 -3.265 -4.681 1.00 0.38 O ATOM 1132 CB ILE A 72 5.179 -4.262 -6.746 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.551 -5.750 -6.585 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.241 -3.493 -7.521 1.00 0.45 C ATOM 1135 CD1 ILE A 72 7.032 -6.022 -6.386 1.00 1.12 C ATOM 0 H ILE A 72 5.315 -1.628 -5.944 1.00 0.39 H new ATOM 0 HA ILE A 72 4.069 -4.089 -4.901 1.00 0.39 H new ATOM 0 HB ILE A 72 4.257 -4.215 -7.325 1.00 0.42 H new ATOM 0 HG12 ILE A 72 5.005 -6.156 -5.734 1.00 0.44 H new ATOM 0 HG13 ILE A 72 5.213 -6.292 -7.468 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.399 -3.967 -8.490 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.910 -2.465 -7.670 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.175 -3.495 -6.959 1.00 0.45 H new ATOM 0 HD11 ILE A 72 7.194 -7.095 -6.283 1.00 1.12 H new ATOM 0 HD12 ILE A 72 7.589 -5.652 -7.247 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.377 -5.514 -5.485 1.00 1.12 H new ATOM 1147 N MET A 73 5.968 -4.703 -3.470 1.00 0.36 N ATOM 1148 CA MET A 73 7.037 -5.039 -2.535 1.00 0.36 C ATOM 1149 C MET A 73 7.260 -6.549 -2.509 1.00 0.33 C ATOM 1150 O MET A 73 6.328 -7.320 -2.274 1.00 0.43 O ATOM 1151 CB MET A 73 6.694 -4.538 -1.132 1.00 0.43 C ATOM 1152 CG MET A 73 5.324 -4.978 -0.644 1.00 0.83 C ATOM 1153 SD MET A 73 5.313 -5.400 1.109 1.00 1.86 S ATOM 1154 CE MET A 73 5.675 -3.807 1.841 1.00 2.56 C ATOM 0 H MET A 73 5.087 -5.184 -3.288 1.00 0.36 H new ATOM 0 HA MET A 73 7.954 -4.552 -2.867 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.451 -4.895 -0.433 1.00 0.43 H new ATOM 0 HB3 MET A 73 6.741 -3.449 -1.123 1.00 0.43 H new ATOM 0 HG2 MET A 73 4.604 -4.180 -0.826 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.996 -5.841 -1.223 1.00 0.83 H new ATOM 0 HE1 MET A 73 5.313 -3.788 2.869 1.00 2.56 H new ATOM 0 HE2 MET A 73 6.752 -3.639 1.832 1.00 2.56 H new ATOM 0 HE3 MET A 73 5.180 -3.023 1.268 1.00 2.56 H new ATOM 1164 N GLU A 74 8.496 -6.968 -2.756 1.00 0.33 N ATOM 1165 CA GLU A 74 8.831 -8.389 -2.765 1.00 0.31 C ATOM 1166 C GLU A 74 9.018 -8.923 -1.349 1.00 0.31 C ATOM 1167 O GLU A 74 9.914 -8.490 -0.622 1.00 0.37 O ATOM 1168 CB GLU A 74 10.102 -8.628 -3.583 1.00 0.37 C ATOM 1169 CG GLU A 74 10.565 -10.075 -3.579 1.00 0.41 C ATOM 1170 CD GLU A 74 11.905 -10.259 -4.262 1.00 0.89 C ATOM 1171 OE1 GLU A 74 12.400 -9.287 -4.871 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.460 -11.376 -4.189 1.00 1.52 O ATOM 0 H GLU A 74 9.281 -6.347 -2.952 1.00 0.33 H new ATOM 0 HA GLU A 74 8.000 -8.925 -3.224 1.00 0.31 H new ATOM 0 HB2 GLU A 74 9.926 -8.314 -4.612 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.901 -7.999 -3.190 1.00 0.37 H new ATOM 0 HG2 GLU A 74 10.634 -10.428 -2.550 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.819 -10.693 -4.078 1.00 0.41 H new ATOM 1179 N SER A 75 8.168 -9.872 -0.966 1.00 0.29 N ATOM 1180 CA SER A 75 8.239 -10.473 0.362 1.00 0.33 C ATOM 1181 C SER A 75 8.188 -11.995 0.267 1.00 0.33 C ATOM 1182 O SER A 75 7.113 -12.584 0.157 1.00 0.38 O ATOM 1183 CB SER A 75 7.091 -9.967 1.236 1.00 0.41 C ATOM 1184 OG SER A 75 7.052 -8.549 1.259 1.00 1.32 O ATOM 0 H SER A 75 7.423 -10.241 -1.556 1.00 0.29 H new ATOM 0 HA SER A 75 9.186 -10.183 0.817 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.145 -10.354 0.858 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.208 -10.347 2.251 1.00 0.41 H new ATOM 0 HG SER A 75 6.127 -8.249 1.381 1.00 1.32 H new ATOM 1190 N VAL A 76 9.358 -12.625 0.307 1.00 0.37 N ATOM 1191 CA VAL A 76 9.445 -14.080 0.224 1.00 0.41 C ATOM 1192 C VAL A 76 9.173 -14.726 1.577 1.00 0.43 C ATOM 1193 O VAL A 76 8.416 -15.692 1.675 1.00 0.46 O ATOM 1194 CB VAL A 76 10.827 -14.536 -0.281 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.921 -14.103 0.683 1.00 1.54 C ATOM 1196 CG2 VAL A 76 10.853 -16.043 -0.484 1.00 1.33 C ATOM 0 H VAL A 76 10.258 -12.152 0.396 1.00 0.37 H new ATOM 0 HA VAL A 76 8.684 -14.399 -0.488 1.00 0.41 H new ATOM 0 HB VAL A 76 11.014 -14.059 -1.243 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.889 -14.435 0.308 1.00 1.54 H new ATOM 0 HG12 VAL A 76 11.919 -13.017 0.771 1.00 1.54 H new ATOM 0 HG13 VAL A 76 11.740 -14.547 1.662 1.00 1.54 H new ATOM 0 HG21 VAL A 76 11.838 -16.345 -0.841 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.641 -16.541 0.462 1.00 1.33 H new ATOM 0 HG23 VAL A 76 10.099 -16.324 -1.219 1.00 1.33 H new ATOM 1206 N VAL A 77 9.797 -14.189 2.618 1.00 0.45 N ATOM 1207 CA VAL A 77 9.626 -14.717 3.968 1.00 0.49 C ATOM 1208 C VAL A 77 8.481 -14.025 4.710 1.00 0.45 C ATOM 1209 O VAL A 77 7.665 -14.685 5.348 1.00 0.47 O ATOM 1210 CB VAL A 77 10.918 -14.584 4.796 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.848 -15.456 6.038 1.00 0.80 C ATOM 1212 CG2 VAL A 77 12.133 -14.944 3.951 1.00 0.77 C ATOM 0 H VAL A 77 10.426 -13.389 2.555 1.00 0.45 H new ATOM 0 HA VAL A 77 9.383 -15.773 3.853 1.00 0.49 H new ATOM 0 HB VAL A 77 11.019 -13.546 5.114 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.770 -15.349 6.610 1.00 0.80 H new ATOM 0 HG12 VAL A 77 10.002 -15.148 6.652 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.722 -16.498 5.744 1.00 0.80 H new ATOM 0 HG21 VAL A 77 13.037 -14.844 4.552 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.041 -15.972 3.601 1.00 0.77 H new ATOM 0 HG23 VAL A 77 12.192 -14.273 3.094 1.00 0.77 H new ATOM 1222 N PRO A 78 8.401 -12.682 4.640 1.00 0.43 N ATOM 1223 CA PRO A 78 7.342 -11.923 5.316 1.00 0.41 C ATOM 1224 C PRO A 78 5.948 -12.291 4.813 1.00 0.35 C ATOM 1225 O PRO A 78 4.947 -11.992 5.463 1.00 0.34 O ATOM 1226 CB PRO A 78 7.660 -10.463 4.974 1.00 0.42 C ATOM 1227 CG PRO A 78 9.091 -10.465 4.556 1.00 0.48 C ATOM 1228 CD PRO A 78 9.323 -11.798 3.908 1.00 0.46 C ATOM 0 HA PRO A 78 7.325 -12.128 6.386 1.00 0.41 H new ATOM 0 HB2 PRO A 78 7.016 -10.096 4.175 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.502 -9.813 5.834 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.297 -9.651 3.861 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.750 -10.327 5.413 1.00 0.48 H new ATOM 0 HD2 PRO A 78 9.099 -11.774 2.842 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.359 -12.122 4.009 1.00 0.46 H new ATOM 1236 N SER A 79 5.888 -12.943 3.654 1.00 0.34 N ATOM 1237 CA SER A 79 4.610 -13.344 3.073 1.00 0.34 C ATOM 1238 C SER A 79 3.783 -14.141 4.071 1.00 0.38 C ATOM 1239 O SER A 79 2.558 -14.185 3.976 1.00 0.39 O ATOM 1240 CB SER A 79 4.839 -14.167 1.804 1.00 0.39 C ATOM 1241 OG SER A 79 4.919 -15.551 2.101 1.00 1.13 O ATOM 0 H SER A 79 6.705 -13.204 3.102 1.00 0.34 H new ATOM 0 HA SER A 79 4.057 -12.440 2.816 1.00 0.34 H new ATOM 0 HB2 SER A 79 4.026 -13.989 1.100 1.00 0.39 H new ATOM 0 HB3 SER A 79 5.759 -13.843 1.317 1.00 0.39 H new ATOM 0 HG SER A 79 5.064 -16.055 1.273 1.00 1.13 H new ATOM 1247 N ASP A 80 4.453 -14.755 5.040 1.00 0.43 N ATOM 1248 CA ASP A 80 3.758 -15.530 6.058 1.00 0.50 C ATOM 1249 C ASP A 80 2.697 -14.670 6.726 1.00 0.42 C ATOM 1250 O ASP A 80 1.666 -15.169 7.179 1.00 0.47 O ATOM 1251 CB ASP A 80 4.743 -16.059 7.102 1.00 0.62 C ATOM 1252 CG ASP A 80 5.477 -14.942 7.821 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.573 -13.834 7.253 1.00 2.02 O ATOM 1254 OD2 ASP A 80 5.954 -15.178 8.950 1.00 1.69 O ATOM 0 H ASP A 80 5.468 -14.731 5.141 1.00 0.43 H new ATOM 0 HA ASP A 80 3.278 -16.383 5.579 1.00 0.50 H new ATOM 0 HB2 ASP A 80 4.205 -16.665 7.831 1.00 0.62 H new ATOM 0 HB3 ASP A 80 5.467 -16.713 6.616 1.00 0.62 H new ATOM 1259 N LYS A 81 2.951 -13.367 6.761 1.00 0.38 N ATOM 1260 CA LYS A 81 2.012 -12.428 7.346 1.00 0.33 C ATOM 1261 C LYS A 81 1.130 -11.844 6.249 1.00 0.26 C ATOM 1262 O LYS A 81 1.595 -11.081 5.401 1.00 0.27 O ATOM 1263 CB LYS A 81 2.779 -11.320 8.067 1.00 0.40 C ATOM 1264 CG LYS A 81 1.919 -10.142 8.486 1.00 0.91 C ATOM 1265 CD LYS A 81 2.736 -9.109 9.248 1.00 1.02 C ATOM 1266 CE LYS A 81 3.985 -8.703 8.482 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.170 -9.516 8.878 1.00 1.23 N ATOM 0 H LYS A 81 3.800 -12.941 6.390 1.00 0.38 H new ATOM 0 HA LYS A 81 1.378 -12.940 8.070 1.00 0.33 H new ATOM 0 HB2 LYS A 81 3.257 -11.740 8.952 1.00 0.40 H new ATOM 0 HB3 LYS A 81 3.575 -10.961 7.415 1.00 0.40 H new ATOM 0 HG2 LYS A 81 1.475 -9.680 7.604 1.00 0.91 H new ATOM 0 HG3 LYS A 81 1.097 -10.492 9.110 1.00 0.91 H new ATOM 0 HD2 LYS A 81 2.123 -8.228 9.437 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.020 -9.514 10.219 1.00 1.02 H new ATOM 0 HE2 LYS A 81 3.808 -8.817 7.413 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.193 -7.648 8.660 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 5.838 -8.921 9.408 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 4.863 -10.309 9.477 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 5.637 -9.886 8.026 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.135 -12.237 6.251 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.055 -11.777 5.233 1.00 0.24 C ATOM 1283 C GLY A 82 -2.055 -10.741 5.723 1.00 0.28 C ATOM 1284 O GLY A 82 -3.266 -10.898 5.542 1.00 0.53 O ATOM 0 H GLY A 82 -0.541 -12.868 6.942 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.484 -11.353 4.407 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.600 -12.634 4.837 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.546 -9.647 6.281 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.400 -8.553 6.731 1.00 0.28 C ATOM 1290 C ASN A 83 -1.948 -7.252 6.081 1.00 0.30 C ATOM 1291 O ASN A 83 -0.865 -6.741 6.378 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.393 -8.427 8.257 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.765 -8.067 8.797 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.745 -8.038 8.054 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.844 -7.791 10.094 1.00 0.96 N ATOM 0 H ASN A 83 -0.549 -9.494 6.432 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.425 -8.769 6.429 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -2.064 -9.368 8.698 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.673 -7.665 8.556 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.742 -7.543 10.509 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.006 -7.827 10.675 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.768 -6.735 5.176 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.440 -5.510 4.455 1.00 0.40 C ATOM 1304 C TYR A 84 -3.121 -4.286 5.064 1.00 0.35 C ATOM 1305 O TYR A 84 -4.345 -4.227 5.168 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.838 -5.666 2.983 1.00 0.57 C ATOM 1307 CG TYR A 84 -2.805 -4.382 2.183 1.00 1.17 C ATOM 1308 CD1 TYR A 84 -3.772 -3.405 2.366 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -1.814 -4.153 1.240 1.00 1.74 C ATOM 1310 CE1 TYR A 84 -3.753 -2.234 1.634 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -1.788 -2.986 0.502 1.00 2.46 C ATOM 1312 CZ TYR A 84 -2.759 -2.029 0.702 1.00 2.86 C ATOM 1313 OH TYR A 84 -2.736 -0.866 -0.031 1.00 3.72 O ATOM 0 H TYR A 84 -3.667 -7.145 4.923 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.365 -5.348 4.533 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -2.170 -6.388 2.514 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -3.844 -6.084 2.934 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -4.554 -3.563 3.094 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.050 -4.900 1.080 1.00 1.74 H new ATOM 0 HE1 TYR A 84 -4.513 -1.483 1.791 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -1.010 -2.824 -0.229 1.00 2.46 H new ATOM 0 HH TYR A 84 -3.298 -0.970 -0.827 1.00 3.72 H new ATOM 1323 N THR A 85 -2.308 -3.304 5.441 1.00 0.32 N ATOM 1324 CA THR A 85 -2.812 -2.062 6.010 1.00 0.33 C ATOM 1325 C THR A 85 -2.264 -0.865 5.240 1.00 0.29 C ATOM 1326 O THR A 85 -1.051 -0.668 5.167 1.00 0.31 O ATOM 1327 CB THR A 85 -2.434 -1.923 7.497 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.669 -3.159 8.182 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.237 -0.811 8.158 1.00 1.00 C ATOM 0 H THR A 85 -1.292 -3.347 5.361 1.00 0.32 H new ATOM 0 HA THR A 85 -3.899 -2.087 5.930 1.00 0.33 H new ATOM 0 HB THR A 85 -1.375 -1.671 7.557 1.00 0.45 H new ATOM 0 HG1 THR A 85 -2.424 -3.062 9.126 1.00 1.14 H new ATOM 0 HG21 THR A 85 -2.953 -0.732 9.207 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.033 0.134 7.654 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.301 -1.038 8.086 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.157 -0.068 4.661 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.742 1.102 3.896 1.00 0.30 C ATOM 1339 C CYS A 86 -3.184 2.388 4.582 1.00 0.30 C ATOM 1340 O CYS A 86 -4.373 2.703 4.629 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.310 1.048 2.475 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.555 2.243 1.323 1.00 0.65 S ATOM 0 H CYS A 86 -4.166 -0.210 4.707 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.653 1.094 3.842 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.173 0.042 2.079 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.384 1.230 2.518 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.215 3.134 5.099 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.502 4.394 5.764 1.00 0.30 C ATOM 1349 C VAL A 87 -2.003 5.560 4.923 1.00 0.31 C ATOM 1350 O VAL A 87 -0.803 5.819 4.863 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.847 4.459 7.156 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.247 5.737 7.877 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.222 3.235 7.978 1.00 0.97 C ATOM 0 H VAL A 87 -1.226 2.887 5.069 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.583 4.461 5.885 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.765 4.466 7.028 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.774 5.764 8.859 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.924 6.600 7.294 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.330 5.764 7.995 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.751 3.297 8.959 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.305 3.195 8.098 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.880 2.335 7.467 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.922 6.257 4.264 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.539 7.383 3.427 1.00 0.33 C ATOM 1365 C VAL A 88 -2.684 8.705 4.168 1.00 0.30 C ATOM 1366 O VAL A 88 -3.792 9.134 4.488 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.388 7.438 2.142 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.821 8.458 1.167 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -3.474 6.062 1.498 1.00 1.50 C ATOM 0 H VAL A 88 -3.923 6.065 4.293 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.492 7.234 3.164 1.00 0.33 H new ATOM 0 HB VAL A 88 -4.397 7.751 2.410 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.435 8.481 0.267 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -2.821 9.444 1.631 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -1.800 8.181 0.903 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -4.077 6.121 0.592 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -2.472 5.716 1.245 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -3.934 5.362 2.195 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.552 9.342 4.444 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.542 10.612 5.153 1.00 0.32 C ATOM 1381 C GLU A 89 -1.325 11.774 4.192 1.00 0.31 C ATOM 1382 O GLU A 89 -0.684 11.624 3.151 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.455 10.612 6.229 1.00 0.37 C ATOM 1384 CG GLU A 89 -0.490 11.836 7.130 1.00 0.43 C ATOM 1385 CD GLU A 89 0.598 12.837 6.796 1.00 0.83 C ATOM 1386 OE1 GLU A 89 1.708 12.716 7.358 1.00 1.33 O ATOM 1387 OE2 GLU A 89 0.341 13.741 5.974 1.00 1.46 O ATOM 0 H GLU A 89 -0.628 8.997 4.186 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.514 10.739 5.629 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -0.562 9.717 6.842 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.521 10.554 5.747 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -1.463 12.320 7.042 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -0.383 11.522 8.168 1.00 0.43 H new ATOM 1394 N ASN A 90 -1.851 12.934 4.560 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.711 14.139 3.754 1.00 0.36 C ATOM 1396 C ASN A 90 -1.521 15.341 4.672 1.00 0.43 C ATOM 1397 O ASN A 90 -1.593 15.210 5.893 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.941 14.342 2.861 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.220 13.826 3.499 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -5.087 14.738 3.921 1.00 1.54 O flip ATOM 1401 ND2 ASN A 90 -4.428 12.617 3.608 1.00 0.86 N flip ATOM 0 H ASN A 90 -2.383 13.066 5.420 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.839 14.034 3.108 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -3.053 15.403 2.639 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.783 13.833 1.910 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -3.736 11.948 3.271 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -5.292 12.285 4.035 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.296 16.513 4.092 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.119 17.718 4.893 1.00 0.66 C ATOM 1410 C GLU A 91 -2.443 18.150 5.532 1.00 0.68 C ATOM 1411 O GLU A 91 -2.464 19.019 6.403 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.557 18.857 4.038 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.483 20.185 4.772 1.00 1.15 C ATOM 1414 CD GLU A 91 0.719 21.013 4.360 1.00 1.72 C ATOM 1415 OE1 GLU A 91 0.614 21.756 3.363 1.00 2.34 O ATOM 1416 OE2 GLU A 91 1.764 20.918 5.038 1.00 2.24 O ATOM 0 H GLU A 91 -1.232 16.655 3.084 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.408 17.489 5.687 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.441 18.585 3.694 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.179 18.975 3.150 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -1.394 20.753 4.581 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.442 20.001 5.846 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.548 17.551 5.082 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.869 17.893 5.602 1.00 0.68 C ATOM 1425 C TYR A 92 -5.461 16.784 6.477 1.00 0.60 C ATOM 1426 O TYR A 92 -6.573 16.925 6.986 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.822 18.198 4.445 1.00 0.75 C ATOM 1428 CG TYR A 92 -7.175 18.703 4.891 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -7.336 20.008 5.337 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -8.290 17.876 4.863 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -8.571 20.473 5.747 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -9.527 18.333 5.270 1.00 2.05 C ATOM 1433 CZ TYR A 92 -9.662 19.633 5.710 1.00 2.19 C ATOM 1434 OH TYR A 92 -10.895 20.093 6.116 1.00 2.77 O ATOM 0 H TYR A 92 -3.552 16.829 4.361 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.747 18.775 6.231 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.363 18.942 3.794 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -5.959 17.295 3.850 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -6.483 20.670 5.364 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.188 16.858 4.517 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -8.680 21.490 6.095 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -10.384 17.676 5.244 1.00 2.05 H new ATOM 0 HH TYR A 92 -11.557 19.376 6.027 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.730 15.684 6.658 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.244 14.599 7.483 1.00 0.47 C ATOM 1446 C GLY A 93 -4.639 13.247 7.152 1.00 0.40 C ATOM 1447 O GLY A 93 -3.920 13.104 6.164 1.00 0.40 O ATOM 0 H GLY A 93 -3.806 15.525 6.256 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.051 14.828 8.531 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.326 14.543 7.363 1.00 0.47 H new ATOM 1451 N SER A 94 -4.937 12.253 7.990 1.00 0.38 N ATOM 1452 CA SER A 94 -4.428 10.899 7.795 1.00 0.34 C ATOM 1453 C SER A 94 -5.555 9.869 7.855 1.00 0.34 C ATOM 1454 O SER A 94 -6.371 9.879 8.776 1.00 0.38 O ATOM 1455 CB SER A 94 -3.367 10.574 8.848 1.00 0.35 C ATOM 1456 OG SER A 94 -3.938 10.499 10.143 1.00 1.04 O ATOM 0 H SER A 94 -5.530 12.363 8.812 1.00 0.38 H new ATOM 0 HA SER A 94 -3.976 10.852 6.804 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.886 9.627 8.604 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.590 11.338 8.834 1.00 0.35 H new ATOM 0 HG SER A 94 -3.239 10.288 10.797 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.593 8.984 6.861 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.621 7.944 6.787 1.00 0.34 C ATOM 1464 C ILE A 95 -5.999 6.551 6.885 1.00 0.31 C ATOM 1465 O ILE A 95 -4.829 6.360 6.557 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.447 8.033 5.479 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.228 9.389 4.778 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.923 7.805 5.788 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.311 9.771 3.784 1.00 0.47 C ATOM 0 H ILE A 95 -4.922 8.965 6.093 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.289 8.110 7.632 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.109 7.255 4.794 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.159 10.168 5.537 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.270 9.364 4.259 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.502 7.868 4.866 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.054 6.818 6.232 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.270 8.566 6.487 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.073 10.738 3.341 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.367 9.016 3.000 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.271 9.833 4.297 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.788 5.580 7.344 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.309 4.204 7.490 1.00 0.34 C ATOM 1483 C ASN A 96 -7.232 3.214 6.781 1.00 0.34 C ATOM 1484 O ASN A 96 -8.457 3.330 6.856 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.190 3.833 8.971 1.00 0.38 C ATOM 1486 CG ASN A 96 -5.725 4.995 9.828 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -6.597 5.981 10.009 1.00 2.04 O flip ATOM 1488 ND2 ASN A 96 -4.598 5.008 10.321 1.00 1.12 N flip ATOM 0 H ASN A 96 -7.760 5.719 7.621 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.325 4.147 7.025 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.157 3.484 9.333 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.491 3.004 9.079 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -3.960 4.229 10.156 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -4.301 5.798 10.895 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.637 2.233 6.103 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.405 1.212 5.390 1.00 0.34 C ATOM 1497 C HIS A 97 -6.826 -0.182 5.624 1.00 0.33 C ATOM 1498 O HIS A 97 -5.614 -0.378 5.556 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.440 1.520 3.893 1.00 0.36 C ATOM 1500 CG HIS A 97 -8.170 2.784 3.560 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -9.090 3.364 4.407 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -8.110 3.581 2.468 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -9.568 4.463 3.850 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -8.989 4.617 2.673 1.00 0.85 N ATOM 0 H HIS A 97 -5.625 2.123 6.032 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.422 1.227 5.781 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.418 1.591 3.521 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.912 0.688 3.370 1.00 0.36 H new ATOM 0 HD1 HIS A 97 -9.360 3.001 5.321 1.00 1.25 H new ATOM 0 HD2 HIS A 97 -7.488 3.431 1.598 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -10.306 5.122 4.283 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -9.166 5.382 2.021 1.00 0.85 H new ATOM 1513 N THR A 98 -7.700 -1.150 5.899 1.00 0.35 N ATOM 1514 CA THR A 98 -7.269 -2.524 6.141 1.00 0.35 C ATOM 1515 C THR A 98 -7.807 -3.477 5.074 1.00 0.35 C ATOM 1516 O THR A 98 -8.971 -3.389 4.681 1.00 0.36 O ATOM 1517 CB THR A 98 -7.725 -3.025 7.527 1.00 0.38 C ATOM 1518 OG1 THR A 98 -9.067 -3.527 7.450 1.00 1.33 O ATOM 1519 CG2 THR A 98 -7.655 -1.911 8.560 1.00 1.36 C ATOM 0 H THR A 98 -8.708 -1.007 5.959 1.00 0.35 H new ATOM 0 HA THR A 98 -6.180 -2.516 6.101 1.00 0.35 H new ATOM 0 HB THR A 98 -7.053 -3.826 7.836 1.00 0.38 H new ATOM 0 HG1 THR A 98 -9.349 -3.845 8.333 1.00 1.33 H new ATOM 0 HG21 THR A 98 -7.982 -2.291 9.528 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.629 -1.552 8.639 1.00 1.36 H new ATOM 0 HG23 THR A 98 -8.304 -1.090 8.255 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.954 -4.389 4.612 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.343 -5.362 3.595 1.00 0.42 C ATOM 1529 C TYR A 99 -6.800 -6.756 3.940 1.00 0.42 C ATOM 1530 O TYR A 99 -5.730 -6.887 4.533 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.861 -4.897 2.218 1.00 0.53 C ATOM 1532 CG TYR A 99 -7.472 -3.581 1.783 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -6.877 -2.373 2.122 1.00 0.85 C ATOM 1534 CD2 TYR A 99 -8.644 -3.544 1.037 1.00 0.73 C ATOM 1535 CE1 TYR A 99 -7.427 -1.168 1.730 1.00 0.96 C ATOM 1536 CE2 TYR A 99 -9.203 -2.343 0.642 1.00 0.81 C ATOM 1537 CZ TYR A 99 -8.600 -1.168 0.975 1.00 0.81 C ATOM 1538 OH TYR A 99 -9.145 0.038 0.600 1.00 0.96 O ATOM 0 H TYR A 99 -5.988 -4.474 4.927 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.430 -5.434 3.570 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.776 -4.798 2.235 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.100 -5.662 1.480 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -5.967 -2.376 2.703 1.00 0.85 H new ATOM 0 HD2 TYR A 99 -9.127 -4.470 0.761 1.00 0.73 H new ATOM 0 HE1 TYR A 99 -6.954 -0.237 2.005 1.00 0.96 H new ATOM 0 HE2 TYR A 99 -10.118 -2.336 0.069 1.00 0.81 H new ATOM 0 HH TYR A 99 -8.590 0.769 0.944 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.574 -7.787 3.603 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.204 -9.167 3.917 1.00 0.44 C ATOM 1550 C HIS A 100 -6.534 -9.925 2.759 1.00 0.42 C ATOM 1551 O HIS A 100 -7.114 -10.127 1.689 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.433 -9.941 4.390 1.00 0.53 C ATOM 1553 CG HIS A 100 -8.456 -10.180 5.865 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -8.999 -9.285 6.763 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -7.998 -11.217 6.603 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -8.871 -9.761 7.989 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -8.266 -10.933 7.919 1.00 1.70 N ATOM 0 H HIS A 100 -8.463 -7.693 3.112 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.457 -9.099 4.708 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.330 -9.392 4.105 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.469 -10.900 3.874 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -7.511 -12.105 6.226 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -9.204 -9.275 8.894 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -8.035 -11.530 8.713 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.315 -10.394 3.016 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.569 -11.184 2.042 1.00 0.45 C ATOM 1568 C LEU A 101 -4.190 -12.513 2.691 1.00 0.48 C ATOM 1569 O LEU A 101 -4.023 -12.574 3.910 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.325 -10.429 1.551 1.00 0.51 C ATOM 1571 CG LEU A 101 -2.112 -10.488 2.478 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -0.947 -11.186 1.793 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -1.710 -9.089 2.924 1.00 1.63 C ATOM 0 H LEU A 101 -4.822 -10.239 3.895 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.190 -11.368 1.165 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -3.038 -10.830 0.579 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.593 -9.384 1.398 1.00 0.51 H new ATOM 0 HG LEU A 101 -2.385 -11.065 3.362 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -0.093 -11.218 2.470 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.237 -12.202 1.527 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -0.675 -10.639 0.891 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -0.844 -9.152 3.583 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -1.458 -8.487 2.051 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -2.539 -8.625 3.457 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.066 -13.582 1.910 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.721 -14.880 2.480 1.00 0.57 C ATOM 1587 C ASP A 102 -2.482 -15.472 1.816 1.00 0.54 C ATOM 1588 O ASP A 102 -2.171 -15.163 0.666 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.896 -15.850 2.339 1.00 0.65 C ATOM 1590 CG ASP A 102 -4.641 -17.171 3.039 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -4.953 -17.274 4.243 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -4.133 -18.102 2.380 1.00 2.34 O ATOM 0 H ASP A 102 -4.197 -13.577 0.898 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.500 -14.728 3.536 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.794 -15.391 2.751 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.088 -16.033 1.282 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.779 -16.327 2.555 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.572 -16.969 2.046 1.00 0.68 C ATOM 1599 C VAL A 103 -0.884 -18.365 1.513 1.00 0.66 C ATOM 1600 O VAL A 103 -1.626 -19.125 2.135 1.00 0.75 O ATOM 1601 CB VAL A 103 0.516 -17.084 3.135 1.00 0.89 C ATOM 1602 CG1 VAL A 103 1.893 -17.204 2.502 1.00 1.56 C ATOM 1603 CG2 VAL A 103 0.464 -15.897 4.087 1.00 1.60 C ATOM 0 H VAL A 103 -2.026 -16.591 3.509 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.197 -16.340 1.238 1.00 0.68 H new ATOM 0 HB VAL A 103 0.322 -17.987 3.713 1.00 0.89 H new ATOM 0 HG11 VAL A 103 2.647 -17.284 3.285 1.00 1.56 H new ATOM 0 HG12 VAL A 103 1.928 -18.093 1.872 1.00 1.56 H new ATOM 0 HG13 VAL A 103 2.092 -16.321 1.895 1.00 1.56 H new ATOM 0 HG21 VAL A 103 1.241 -16.003 4.844 1.00 1.60 H new ATOM 0 HG22 VAL A 103 0.626 -14.975 3.528 1.00 1.60 H new ATOM 0 HG23 VAL A 103 -0.512 -15.861 4.571 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.313 -18.697 0.360 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.535 -20.002 -0.252 1.00 0.73 C ATOM 1615 C VAL A 104 0.757 -20.812 -0.304 1.00 0.83 C ATOM 1616 O VAL A 104 1.787 -20.325 -0.769 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.102 -19.869 -1.679 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.740 -21.177 -2.124 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.106 -18.728 -1.754 1.00 1.27 C ATOM 0 H VAL A 104 0.306 -18.082 -0.169 1.00 0.66 H new ATOM 0 HA VAL A 104 -1.263 -20.521 0.371 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.278 -19.642 -2.356 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -2.135 -21.064 -3.134 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.991 -21.969 -2.114 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.552 -21.436 -1.444 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -2.494 -18.651 -2.770 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.928 -18.921 -1.065 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -1.616 -17.793 -1.481 1.00 1.27 H new TER 1629 VAL A 104