USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1230 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 121 MET CE :methyl 161:sc=-0.00895 (180deg=-0.204) USER MOD Set 1.2: A 125 HIS : no HD1:sc= -0.338 X(o=-0.35,f=-0.26) USER MOD Set 2.1: A 116 THR OG1 : rot 82:sc= 0.468 USER MOD Set 2.2: A 117 HIS :FLIP no HD1:sc= 0.337 F(o=-0.1,f=0.81) USER MOD Set 3.1: A 95 SER OG : rot 43:sc= 1.65 USER MOD Set 3.2: A 115 HIS : no HD1:sc= 1.15 K(o=2.8,f=-8.9!) USER MOD Set 4.1: A 70 LYS NZ :NH3+ 154:sc= -0.777 (180deg=-1.75!) USER MOD Set 4.2: A 76 THR OG1 : rot -84:sc= 0.955 USER MOD Set 5.1: A 33 ASN : amide:sc= -2.87! C(o=-4.2!,f=-4!) USER MOD Set 5.2: A 84 ASN : amide:sc= -1.37 K(o=-4.2,f=-6.1!) USER MOD Single : A 1 ASN :FLIP amide:sc= -0.419 F(o=-2.3!,f=-0.42) USER MOD Single : A 1 ASN N :NH3+ 171:sc= 0 (180deg=-0.045) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -6.57! C(o=-6.6!,f=-6.4!) USER MOD Single : A 9 SER OG : rot 33:sc= 1.03 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00178 USER MOD Single : A 13 LYS NZ :NH3+ 133:sc= -0.95 (180deg=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -81:sc= 0.426 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0.321 (180deg=-1.79!) USER MOD Single : A 22 THR OG1 : rot 77:sc= 0.135 USER MOD Single : A 34 ASN : amide:sc= -2.2! C(o=-2.2!,f=-9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0592 USER MOD Single : A 38 THR OG1 : rot 15:sc= 0.997 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= 1.12 (180deg=-0.342) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.711) USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= 1.07 (180deg=0.799) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN :FLIP amide:sc= -0.561 F(o=-5!,f=-0.56) USER MOD Single : A 63 HIS : no HD1:sc= -12.6! C(o=-13!,f=-20!) USER MOD Single : A 64 THR OG1 : rot -91:sc= -1.55! USER MOD Single : A 93 ASN : amide:sc= 0.0526 X(o=0.053,f=-0.0067) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0272 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.17) USER MOD Single : A 109 THR OG1 : rot -2:sc= 0.425 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00541) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.127 K(o=-0.13,f=-0.93) USER MOD Single : A 133 MET CE :methyl -155:sc= -0.584 (180deg=-1.93!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 142 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.18) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -1.19! C(o=-1.2!,f=-4.3!) USER MOD Single : A 147 LYS NZ :NH3+ 173:sc= 2 (180deg=1.58) USER MOD Single : A 154 LYS NZ :NH3+ -177:sc= -0.23 (180deg=-0.232) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.725 13.392 -7.874 1.00 1.65 N ATOM 2 CA ASN A 1 6.383 13.025 -6.479 1.00 1.32 C ATOM 3 C ASN A 1 7.549 12.310 -5.800 1.00 1.24 C ATOM 4 O ASN A 1 7.741 11.115 -5.988 1.00 1.61 O ATOM 5 CB ASN A 1 5.110 12.155 -6.452 1.00 1.23 C ATOM 6 CG ASN A 1 5.153 10.972 -7.416 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.515 9.798 -6.921 1.00 1.66 O flip ATOM 8 ND2 ASN A 1 4.840 11.111 -8.596 1.00 1.42 N flip ATOM 0 H1 ASN A 1 5.873 13.737 -8.361 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.448 14.140 -7.869 1.00 1.65 H new ATOM 0 H3 ASN A 1 7.095 12.557 -8.372 1.00 1.65 H new ATOM 0 HA ASN A 1 6.186 13.940 -5.921 1.00 1.32 H new ATOM 0 HB2 ASN A 1 4.958 11.781 -5.439 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.250 12.779 -6.695 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.566 12.029 -8.946 1.00 1.42 H new ATOM 0 HD22 ASN A 1 4.854 10.308 -9.225 1.00 1.42 H new ATOM 17 N TYR A 2 8.344 13.078 -5.042 1.00 1.16 N ATOM 18 CA TYR A 2 9.497 12.560 -4.287 1.00 1.12 C ATOM 19 C TYR A 2 10.317 13.723 -3.744 1.00 1.22 C ATOM 20 O TYR A 2 10.929 13.622 -2.686 1.00 1.20 O ATOM 21 CB TYR A 2 10.388 11.646 -5.149 1.00 1.31 C ATOM 22 CG TYR A 2 11.024 12.302 -6.364 1.00 1.67 C ATOM 23 CD1 TYR A 2 12.272 12.909 -6.274 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.393 12.286 -7.604 1.00 1.84 C ATOM 25 CE1 TYR A 2 12.869 13.484 -7.379 1.00 2.90 C ATOM 26 CE2 TYR A 2 10.982 12.864 -8.712 1.00 2.43 C ATOM 27 CZ TYR A 2 12.220 13.459 -8.594 1.00 2.97 C ATOM 28 OH TYR A 2 12.815 14.024 -9.698 1.00 3.73 O ATOM 0 H TYR A 2 8.205 14.083 -4.934 1.00 1.16 H new ATOM 0 HA TYR A 2 9.113 11.959 -3.463 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.181 11.244 -4.519 1.00 1.31 H new ATOM 0 HB3 TYR A 2 9.790 10.800 -5.487 1.00 1.31 H new ATOM 0 HD1 TYR A 2 12.784 12.931 -5.323 1.00 2.21 H new ATOM 0 HD2 TYR A 2 9.427 11.814 -7.702 1.00 1.84 H new ATOM 0 HE1 TYR A 2 13.839 13.951 -7.291 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.475 12.850 -9.666 1.00 2.43 H new ATOM 0 HH TYR A 2 12.227 13.921 -10.475 1.00 3.73 H new ATOM 38 N ASP A 3 10.309 14.835 -4.473 1.00 1.44 N ATOM 39 CA ASP A 3 11.038 16.025 -4.057 1.00 1.65 C ATOM 40 C ASP A 3 10.444 16.609 -2.774 1.00 1.53 C ATOM 41 O ASP A 3 11.170 16.814 -1.802 1.00 1.62 O ATOM 42 CB ASP A 3 11.059 17.066 -5.178 1.00 1.99 C ATOM 43 CG ASP A 3 11.758 18.342 -4.765 1.00 2.44 C ATOM 44 OD1 ASP A 3 13.002 18.331 -4.652 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.073 19.363 -4.576 1.00 2.63 O ATOM 0 H ASP A 3 9.805 14.935 -5.354 1.00 1.44 H new ATOM 0 HA ASP A 3 12.068 15.737 -3.846 1.00 1.65 H new ATOM 0 HB2 ASP A 3 11.560 16.647 -6.051 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.036 17.295 -5.477 1.00 1.99 H new ATOM 50 N PRO A 4 9.127 16.899 -2.741 1.00 1.46 N ATOM 51 CA PRO A 4 8.450 17.274 -1.514 1.00 1.45 C ATOM 52 C PRO A 4 7.871 16.050 -0.807 1.00 1.27 C ATOM 53 O PRO A 4 8.331 15.661 0.265 1.00 1.34 O ATOM 54 CB PRO A 4 7.337 18.215 -1.996 1.00 1.61 C ATOM 55 CG PRO A 4 7.240 18.035 -3.485 1.00 1.63 C ATOM 56 CD PRO A 4 8.198 16.937 -3.873 1.00 1.52 C ATOM 0 HA PRO A 4 9.115 17.740 -0.787 1.00 1.45 H new ATOM 0 HB2 PRO A 4 6.390 17.974 -1.514 1.00 1.61 H new ATOM 0 HB3 PRO A 4 7.568 19.250 -1.745 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.222 17.775 -3.774 1.00 1.63 H new ATOM 0 HG3 PRO A 4 7.491 18.962 -4.000 1.00 1.63 H new ATOM 0 HD2 PRO A 4 7.687 15.984 -4.008 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.710 17.160 -4.809 1.00 1.52 H new ATOM 64 N PHE A 5 6.863 15.445 -1.421 1.00 1.17 N ATOM 65 CA PHE A 5 6.264 14.230 -0.904 1.00 1.11 C ATOM 66 C PHE A 5 5.645 13.437 -2.048 1.00 0.94 C ATOM 67 O PHE A 5 5.368 13.986 -3.117 1.00 1.01 O ATOM 68 CB PHE A 5 5.204 14.556 0.160 1.00 1.40 C ATOM 69 CG PHE A 5 3.962 15.209 -0.384 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.994 16.512 -0.855 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.759 14.518 -0.415 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.852 17.113 -1.349 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.616 15.114 -0.908 1.00 3.21 C ATOM 74 CZ PHE A 5 1.662 16.413 -1.375 1.00 3.19 C ATOM 0 H PHE A 5 6.442 15.783 -2.286 1.00 1.17 H new ATOM 0 HA PHE A 5 7.040 13.628 -0.432 1.00 1.11 H new ATOM 0 HB2 PHE A 5 4.923 13.635 0.670 1.00 1.40 H new ATOM 0 HB3 PHE A 5 5.647 15.212 0.909 1.00 1.40 H new ATOM 0 HD1 PHE A 5 4.922 17.064 -0.836 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.717 13.503 -0.049 1.00 2.34 H new ATOM 0 HE1 PHE A 5 2.890 18.129 -1.714 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.686 14.565 -0.929 1.00 3.21 H new ATOM 0 HZ PHE A 5 0.768 16.881 -1.760 1.00 3.19 H new ATOM 84 N VAL A 6 5.445 12.152 -1.828 1.00 0.85 N ATOM 85 CA VAL A 6 4.743 11.314 -2.785 1.00 0.79 C ATOM 86 C VAL A 6 3.296 11.184 -2.357 1.00 0.69 C ATOM 87 O VAL A 6 3.021 10.847 -1.211 1.00 0.77 O ATOM 88 CB VAL A 6 5.359 9.907 -2.881 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.523 9.017 -3.783 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.801 9.971 -3.349 1.00 1.41 C ATOM 0 H VAL A 6 5.760 11.662 -0.991 1.00 0.85 H new ATOM 0 HA VAL A 6 4.823 11.786 -3.764 1.00 0.79 H new ATOM 0 HB VAL A 6 5.360 9.468 -1.884 1.00 0.92 H new ATOM 0 HG11 VAL A 6 4.975 8.027 -3.838 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.514 8.933 -3.378 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.478 9.451 -4.782 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.210 8.962 -3.407 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.844 10.437 -4.333 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.387 10.560 -2.643 1.00 1.41 H new ATOM 100 N ARG A 7 2.372 11.447 -3.254 1.00 0.64 N ATOM 101 CA ARG A 7 0.974 11.385 -2.890 1.00 0.56 C ATOM 102 C ARG A 7 0.241 10.317 -3.677 1.00 0.54 C ATOM 103 O ARG A 7 0.511 10.105 -4.859 1.00 0.64 O ATOM 104 CB ARG A 7 0.296 12.732 -3.102 1.00 0.57 C ATOM 105 CG ARG A 7 -1.124 12.762 -2.565 1.00 0.57 C ATOM 106 CD ARG A 7 -1.814 14.079 -2.860 1.00 0.71 C ATOM 107 NE ARG A 7 -2.198 14.192 -4.268 1.00 1.61 N ATOM 108 CZ ARG A 7 -3.450 14.393 -4.678 1.00 2.25 C ATOM 109 NH1 ARG A 7 -4.439 14.475 -3.797 1.00 2.26 N ATOM 110 NH2 ARG A 7 -3.713 14.487 -5.972 1.00 3.37 N ATOM 0 H ARG A 7 2.558 11.702 -4.224 1.00 0.64 H new ATOM 0 HA ARG A 7 0.930 11.126 -1.832 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.882 13.510 -2.613 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.283 12.964 -4.167 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.696 11.946 -3.007 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.108 12.594 -1.488 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.701 14.172 -2.233 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.150 14.903 -2.598 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.467 14.112 -4.975 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -4.243 14.384 -2.800 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -5.395 14.629 -4.117 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.958 14.406 -6.653 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -4.671 14.641 -6.288 1.00 3.37 H new ATOM 124 N HIS A 8 -0.683 9.645 -3.006 1.00 0.47 N ATOM 125 CA HIS A 8 -1.575 8.716 -3.675 1.00 0.46 C ATOM 126 C HIS A 8 -2.999 9.127 -3.381 1.00 0.39 C ATOM 127 O HIS A 8 -3.348 9.380 -2.234 1.00 0.39 O ATOM 128 CB HIS A 8 -1.275 7.255 -3.250 1.00 0.56 C ATOM 129 CG HIS A 8 -2.424 6.448 -2.693 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.373 5.807 -1.468 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.623 6.118 -3.228 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.490 5.124 -1.282 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.263 5.295 -2.335 1.00 0.76 N ATOM 0 H HIS A 8 -0.833 9.727 -2.000 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.419 8.751 -4.753 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.879 6.726 -4.117 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.483 7.277 -2.501 1.00 0.56 H new ATOM 0 HD2 HIS A 8 -4.006 6.443 -4.184 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -3.728 4.527 -0.414 1.00 0.41 H new ATOM 0 HE2 HIS A 8 -5.187 4.883 -2.466 1.00 0.76 H new ATOM 142 N SER A 9 -3.819 9.167 -4.405 1.00 0.42 N ATOM 143 CA SER A 9 -5.179 9.619 -4.243 1.00 0.40 C ATOM 144 C SER A 9 -6.110 8.755 -5.066 1.00 0.41 C ATOM 145 O SER A 9 -6.062 8.770 -6.297 1.00 0.53 O ATOM 146 CB SER A 9 -5.295 11.091 -4.656 1.00 0.52 C ATOM 147 OG SER A 9 -6.484 11.680 -4.154 1.00 1.28 O ATOM 0 H SER A 9 -3.569 8.893 -5.355 1.00 0.42 H new ATOM 0 HA SER A 9 -5.465 9.533 -3.195 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.431 11.643 -4.287 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.281 11.167 -5.743 1.00 0.52 H new ATOM 0 HG SER A 9 -6.706 11.281 -3.287 1.00 1.28 H new ATOM 153 N VAL A 10 -6.930 7.972 -4.386 1.00 0.35 N ATOM 154 CA VAL A 10 -7.898 7.127 -5.084 1.00 0.36 C ATOM 155 C VAL A 10 -9.305 7.368 -4.563 1.00 0.32 C ATOM 156 O VAL A 10 -9.497 7.751 -3.403 1.00 0.32 O ATOM 157 CB VAL A 10 -7.571 5.608 -5.006 1.00 0.45 C ATOM 158 CG1 VAL A 10 -6.134 5.337 -5.402 1.00 1.27 C ATOM 159 CG2 VAL A 10 -7.873 5.021 -3.641 1.00 1.18 C ATOM 0 H VAL A 10 -6.950 7.900 -3.369 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.833 7.416 -6.133 1.00 0.36 H new ATOM 0 HB VAL A 10 -8.226 5.110 -5.721 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -5.934 4.267 -5.338 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -5.968 5.676 -6.424 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -5.464 5.872 -4.729 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -7.627 3.959 -3.639 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.277 5.532 -2.885 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -8.932 5.149 -3.416 1.00 1.18 H new ATOM 169 N THR A 11 -10.276 7.155 -5.430 1.00 0.35 N ATOM 170 CA THR A 11 -11.668 7.317 -5.081 1.00 0.34 C ATOM 171 C THR A 11 -12.318 5.956 -4.870 1.00 0.33 C ATOM 172 O THR A 11 -12.434 5.146 -5.790 1.00 0.43 O ATOM 173 CB THR A 11 -12.424 8.078 -6.184 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.708 9.273 -6.523 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.833 8.438 -5.736 1.00 0.51 C ATOM 0 H THR A 11 -10.119 6.865 -6.395 1.00 0.35 H new ATOM 0 HA THR A 11 -11.719 7.893 -4.157 1.00 0.34 H new ATOM 0 HB THR A 11 -12.497 7.430 -7.057 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.191 9.755 -7.227 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.343 8.975 -6.536 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.384 7.527 -5.501 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.783 9.070 -4.849 1.00 0.51 H new ATOM 183 N VAL A 12 -12.742 5.721 -3.650 1.00 0.29 N ATOM 184 CA VAL A 12 -13.382 4.480 -3.285 1.00 0.35 C ATOM 185 C VAL A 12 -14.895 4.647 -3.310 1.00 0.32 C ATOM 186 O VAL A 12 -15.445 5.537 -2.661 1.00 0.36 O ATOM 187 CB VAL A 12 -12.912 4.032 -1.893 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.750 2.877 -1.376 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.443 3.652 -1.948 1.00 0.81 C ATOM 0 H VAL A 12 -12.652 6.386 -2.882 1.00 0.29 H new ATOM 0 HA VAL A 12 -13.105 3.712 -4.007 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.038 4.862 -1.198 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.394 2.582 -0.389 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.793 3.186 -1.308 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.666 2.032 -2.060 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.112 3.335 -0.959 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.305 2.835 -2.656 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.856 4.513 -2.268 1.00 0.81 H new ATOM 199 N LYS A 13 -15.557 3.782 -4.059 1.00 0.34 N ATOM 200 CA LYS A 13 -16.991 3.900 -4.297 1.00 0.38 C ATOM 201 C LYS A 13 -17.799 2.982 -3.378 1.00 0.31 C ATOM 202 O LYS A 13 -18.938 2.628 -3.692 1.00 0.37 O ATOM 203 CB LYS A 13 -17.316 3.582 -5.765 1.00 0.58 C ATOM 204 CG LYS A 13 -16.776 2.239 -6.257 1.00 0.68 C ATOM 205 CD LYS A 13 -15.323 2.330 -6.710 1.00 0.97 C ATOM 206 CE LYS A 13 -15.155 3.271 -7.896 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.971 2.850 -9.066 1.00 0.98 N ATOM 0 H LYS A 13 -15.122 2.982 -4.518 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.273 4.929 -4.075 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.398 3.594 -5.895 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.911 4.375 -6.394 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.860 1.502 -5.458 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -17.391 1.884 -7.084 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.706 2.677 -5.881 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.964 1.337 -6.981 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.441 4.280 -7.600 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -14.104 3.308 -8.182 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -16.479 3.673 -9.449 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.348 2.456 -9.800 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -16.657 2.127 -8.769 1.00 0.98 H new ATOM 221 N ALA A 14 -17.224 2.617 -2.238 1.00 0.29 N ATOM 222 CA ALA A 14 -17.910 1.744 -1.293 1.00 0.30 C ATOM 223 C ALA A 14 -17.504 2.066 0.148 1.00 0.28 C ATOM 224 O ALA A 14 -17.487 1.187 1.014 1.00 0.31 O ATOM 225 CB ALA A 14 -17.628 0.283 -1.627 1.00 0.36 C ATOM 0 H ALA A 14 -16.291 2.909 -1.947 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.983 1.918 -1.379 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.145 -0.360 -0.915 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.981 0.065 -2.635 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.555 0.097 -1.570 1.00 0.36 H new ATOM 231 N ASP A 15 -17.192 3.341 0.385 1.00 0.28 N ATOM 232 CA ASP A 15 -16.869 3.862 1.724 1.00 0.31 C ATOM 233 C ASP A 15 -15.495 3.409 2.243 1.00 0.28 C ATOM 234 O ASP A 15 -14.855 2.502 1.702 1.00 0.29 O ATOM 235 CB ASP A 15 -17.975 3.494 2.727 1.00 0.39 C ATOM 236 CG ASP A 15 -17.721 4.034 4.120 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.578 3.228 5.061 1.00 0.91 O ATOM 238 OD2 ASP A 15 -17.679 5.272 4.281 1.00 0.76 O ATOM 0 H ASP A 15 -17.155 4.049 -0.348 1.00 0.28 H new ATOM 0 HA ASP A 15 -16.814 4.946 1.625 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -18.928 3.878 2.364 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.066 2.409 2.776 1.00 0.39 H new ATOM 243 N ARG A 16 -15.072 4.070 3.313 1.00 0.28 N ATOM 244 CA ARG A 16 -13.768 3.880 3.926 1.00 0.27 C ATOM 245 C ARG A 16 -13.616 2.466 4.472 1.00 0.28 C ATOM 246 O ARG A 16 -12.504 1.941 4.556 1.00 0.28 O ATOM 247 CB ARG A 16 -13.605 4.909 5.046 1.00 0.29 C ATOM 248 CG ARG A 16 -12.180 5.131 5.491 1.00 0.28 C ATOM 249 CD ARG A 16 -12.039 6.466 6.201 1.00 0.40 C ATOM 250 NE ARG A 16 -12.881 6.564 7.387 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.078 7.693 8.066 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.437 8.802 7.712 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.887 7.702 9.119 1.00 1.88 N ATOM 0 H ARG A 16 -15.642 4.770 3.789 1.00 0.28 H new ATOM 0 HA ARG A 16 -12.991 4.020 3.174 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.020 5.860 4.711 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.195 4.589 5.905 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -11.873 4.325 6.158 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.516 5.101 4.627 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -10.997 6.613 6.487 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.296 7.269 5.510 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.347 5.718 7.716 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.794 8.789 6.920 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -12.588 9.666 8.232 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.358 6.844 9.408 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -14.038 8.567 9.639 1.00 1.88 H new ATOM 267 N LYS A 17 -14.739 1.858 4.840 1.00 0.33 N ATOM 268 CA LYS A 17 -14.739 0.490 5.336 1.00 0.39 C ATOM 269 C LYS A 17 -14.126 -0.462 4.320 1.00 0.35 C ATOM 270 O LYS A 17 -13.300 -1.301 4.675 1.00 0.37 O ATOM 271 CB LYS A 17 -16.156 0.034 5.691 1.00 0.53 C ATOM 272 CG LYS A 17 -16.599 0.455 7.084 1.00 1.34 C ATOM 273 CD LYS A 17 -15.769 -0.231 8.163 1.00 1.70 C ATOM 274 CE LYS A 17 -15.932 -1.744 8.113 1.00 2.46 C ATOM 275 NZ LYS A 17 -15.063 -2.440 9.099 1.00 3.05 N ATOM 0 H LYS A 17 -15.661 2.293 4.803 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.130 0.471 6.240 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.854 0.440 4.959 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.209 -1.052 5.614 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.508 1.536 7.185 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -17.652 0.210 7.222 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -14.718 0.027 8.035 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -16.070 0.136 9.144 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -16.974 -2.001 8.305 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -15.696 -2.099 7.110 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -15.210 -3.467 9.027 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -14.066 -2.218 8.901 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -15.305 -2.123 10.059 1.00 3.05 H new ATOM 289 N THR A 18 -14.511 -0.319 3.059 1.00 0.35 N ATOM 290 CA THR A 18 -14.009 -1.205 2.023 1.00 0.36 C ATOM 291 C THR A 18 -12.595 -0.821 1.626 1.00 0.33 C ATOM 292 O THR A 18 -11.750 -1.690 1.439 1.00 0.37 O ATOM 293 CB THR A 18 -14.904 -1.211 0.773 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.112 0.126 0.313 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.242 -1.866 1.067 1.00 0.80 C ATOM 0 H THR A 18 -15.163 0.395 2.733 1.00 0.35 H new ATOM 0 HA THR A 18 -14.013 -2.210 2.446 1.00 0.36 H new ATOM 0 HB THR A 18 -14.400 -1.787 -0.003 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.815 0.550 0.848 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.857 -1.858 0.167 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.081 -2.895 1.387 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.750 -1.316 1.859 1.00 0.80 H new ATOM 303 N ALA A 19 -12.329 0.482 1.525 1.00 0.29 N ATOM 304 CA ALA A 19 -10.998 0.948 1.149 1.00 0.29 C ATOM 305 C ALA A 19 -9.942 0.403 2.102 1.00 0.28 C ATOM 306 O ALA A 19 -8.879 -0.020 1.671 1.00 0.32 O ATOM 307 CB ALA A 19 -10.934 2.468 1.094 1.00 0.31 C ATOM 0 H ALA A 19 -13.009 1.223 1.696 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.789 0.569 0.149 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -9.929 2.780 0.811 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.649 2.836 0.358 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.179 2.878 2.074 1.00 0.31 H new ATOM 313 N PHE A 20 -10.247 0.397 3.395 1.00 0.25 N ATOM 314 CA PHE A 20 -9.332 -0.154 4.389 1.00 0.26 C ATOM 315 C PHE A 20 -9.306 -1.678 4.321 1.00 0.31 C ATOM 316 O PHE A 20 -8.235 -2.288 4.319 1.00 0.33 O ATOM 317 CB PHE A 20 -9.726 0.304 5.794 1.00 0.28 C ATOM 318 CG PHE A 20 -8.946 -0.363 6.896 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.673 0.077 7.224 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.484 -1.430 7.599 1.00 0.34 C ATOM 321 CE1 PHE A 20 -6.952 -0.534 8.232 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.765 -2.044 8.608 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.515 -1.595 8.937 1.00 0.38 C ATOM 0 H PHE A 20 -11.117 0.766 3.779 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.331 0.217 4.167 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.587 1.383 5.866 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.788 0.109 5.944 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.240 0.907 6.685 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.475 -1.785 7.356 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -5.957 -0.190 8.472 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.192 -2.882 9.139 1.00 0.38 H new ATOM 0 HZ PHE A 20 -6.966 -2.062 9.741 1.00 0.38 H new ATOM 333 N LYS A 21 -10.490 -2.287 4.273 1.00 0.35 N ATOM 334 CA LYS A 21 -10.603 -3.739 4.190 1.00 0.42 C ATOM 335 C LYS A 21 -9.798 -4.266 3.013 1.00 0.44 C ATOM 336 O LYS A 21 -8.958 -5.139 3.175 1.00 0.49 O ATOM 337 CB LYS A 21 -12.072 -4.160 4.048 1.00 0.49 C ATOM 338 CG LYS A 21 -12.276 -5.617 3.638 1.00 0.64 C ATOM 339 CD LYS A 21 -11.836 -6.608 4.713 1.00 1.24 C ATOM 340 CE LYS A 21 -12.882 -6.796 5.810 1.00 1.79 C ATOM 341 NZ LYS A 21 -12.976 -5.626 6.724 1.00 2.39 N ATOM 0 H LYS A 21 -11.384 -1.796 4.290 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.205 -4.165 5.111 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.579 -3.988 4.997 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.551 -3.517 3.310 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.329 -5.780 3.411 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.718 -5.812 2.722 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -11.627 -7.572 4.248 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -10.905 -6.261 5.161 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -13.855 -6.972 5.351 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.637 -7.686 6.390 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -13.298 -5.942 7.661 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -12.041 -5.178 6.812 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -13.654 -4.938 6.339 1.00 2.39 H new ATOM 355 N THR A 22 -10.038 -3.709 1.844 1.00 0.43 N ATOM 356 CA THR A 22 -9.347 -4.133 0.647 1.00 0.48 C ATOM 357 C THR A 22 -7.850 -3.817 0.735 1.00 0.49 C ATOM 358 O THR A 22 -7.022 -4.706 0.555 1.00 0.68 O ATOM 359 CB THR A 22 -9.966 -3.461 -0.596 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.382 -3.685 -0.599 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.374 -4.011 -1.884 1.00 0.58 C ATOM 0 H THR A 22 -10.711 -2.957 1.698 1.00 0.43 H new ATOM 0 HA THR A 22 -9.460 -5.213 0.555 1.00 0.48 H new ATOM 0 HB THR A 22 -9.746 -2.395 -0.547 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.810 -3.083 0.045 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.835 -3.514 -2.738 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.299 -3.831 -1.896 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.563 -5.083 -1.943 1.00 0.58 H new ATOM 369 N PHE A 23 -7.516 -2.567 1.069 1.00 0.37 N ATOM 370 CA PHE A 23 -6.126 -2.097 1.045 1.00 0.38 C ATOM 371 C PHE A 23 -5.231 -2.877 2.006 1.00 0.38 C ATOM 372 O PHE A 23 -4.073 -3.148 1.696 1.00 0.43 O ATOM 373 CB PHE A 23 -6.066 -0.597 1.375 1.00 0.37 C ATOM 374 CG PHE A 23 -4.703 0.031 1.220 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.158 0.220 -0.041 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.963 0.422 2.331 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.905 0.785 -0.194 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.709 0.989 2.180 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.197 1.211 0.950 1.00 0.48 C ATOM 0 H PHE A 23 -8.191 -1.860 1.360 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.748 -2.267 0.037 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.769 -0.069 0.731 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.403 -0.451 2.401 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.719 -0.078 -0.915 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.371 0.282 3.321 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.473 0.899 -1.177 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.134 1.256 3.054 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.247 1.714 0.842 1.00 0.48 H new ATOM 389 N LEU A 24 -5.755 -3.238 3.169 1.00 0.35 N ATOM 390 CA LEU A 24 -4.923 -3.870 4.182 1.00 0.37 C ATOM 391 C LEU A 24 -5.313 -5.325 4.433 1.00 0.39 C ATOM 392 O LEU A 24 -4.461 -6.213 4.437 1.00 0.48 O ATOM 393 CB LEU A 24 -4.989 -3.088 5.491 1.00 0.40 C ATOM 394 CG LEU A 24 -3.825 -3.353 6.438 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.531 -2.872 5.803 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.055 -2.677 7.780 1.00 0.44 C ATOM 0 H LEU A 24 -6.732 -3.108 3.431 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.902 -3.863 3.800 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.022 -2.023 5.263 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -5.920 -3.334 6.001 1.00 0.40 H new ATOM 0 HG LEU A 24 -3.752 -4.426 6.618 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -1.700 -3.062 6.482 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.365 -3.405 4.867 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.599 -1.803 5.604 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.211 -2.880 8.439 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.150 -1.601 7.634 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -4.969 -3.064 8.231 1.00 0.44 H new ATOM 408 N GLU A 25 -6.593 -5.572 4.654 1.00 0.40 N ATOM 409 CA GLU A 25 -7.045 -6.903 5.039 1.00 0.46 C ATOM 410 C GLU A 25 -7.113 -7.832 3.831 1.00 0.54 C ATOM 411 O GLU A 25 -6.801 -9.018 3.924 1.00 1.01 O ATOM 412 CB GLU A 25 -8.407 -6.816 5.732 1.00 0.51 C ATOM 413 CG GLU A 25 -8.416 -5.893 6.944 1.00 0.66 C ATOM 414 CD GLU A 25 -9.750 -5.893 7.663 1.00 0.91 C ATOM 415 OE1 GLU A 25 -10.021 -6.855 8.410 1.00 1.24 O ATOM 416 OE2 GLU A 25 -10.539 -4.941 7.474 1.00 1.18 O ATOM 0 H GLU A 25 -7.334 -4.876 4.575 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.321 -7.322 5.738 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.149 -6.467 5.014 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.711 -7.815 6.044 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -7.633 -6.201 7.637 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.178 -4.878 6.626 1.00 0.66 H new ATOM 423 N GLY A 26 -7.483 -7.269 2.699 1.00 0.37 N ATOM 424 CA GLY A 26 -7.647 -8.046 1.485 1.00 0.45 C ATOM 425 C GLY A 26 -6.515 -7.825 0.513 1.00 0.48 C ATOM 426 O GLY A 26 -6.716 -7.854 -0.689 1.00 0.83 O ATOM 0 H GLY A 26 -7.677 -6.273 2.593 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.706 -9.105 1.738 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.590 -7.779 1.009 1.00 0.45 H new ATOM 430 N PHE A 27 -5.321 -7.646 1.047 1.00 0.42 N ATOM 431 CA PHE A 27 -4.157 -7.261 0.260 1.00 0.44 C ATOM 432 C PHE A 27 -3.920 -8.182 -0.954 1.00 0.47 C ATOM 433 O PHE A 27 -3.780 -7.694 -2.072 1.00 0.53 O ATOM 434 CB PHE A 27 -2.919 -7.217 1.165 1.00 0.48 C ATOM 435 CG PHE A 27 -1.658 -6.836 0.450 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.518 -5.578 -0.113 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.606 -7.730 0.357 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.350 -5.219 -0.755 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.564 -7.378 -0.288 1.00 0.74 C ATOM 440 CZ PHE A 27 0.662 -6.142 -0.909 1.00 0.71 C ATOM 0 H PHE A 27 -5.127 -7.763 2.042 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.350 -6.269 -0.148 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -3.096 -6.507 1.972 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.783 -8.195 1.626 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.332 -4.871 -0.049 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.700 -8.713 0.793 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.229 -4.216 -1.136 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.399 -8.063 -0.308 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.527 -5.904 -1.510 1.00 0.71 H new ATOM 450 N PRO A 28 -3.880 -9.519 -0.773 1.00 0.49 N ATOM 451 CA PRO A 28 -3.543 -10.445 -1.863 1.00 0.57 C ATOM 452 C PRO A 28 -4.697 -10.750 -2.829 1.00 0.59 C ATOM 453 O PRO A 28 -4.508 -11.480 -3.801 1.00 0.76 O ATOM 454 CB PRO A 28 -3.163 -11.708 -1.103 1.00 0.73 C ATOM 455 CG PRO A 28 -4.049 -11.688 0.085 1.00 0.74 C ATOM 456 CD PRO A 28 -4.118 -10.247 0.495 1.00 0.52 C ATOM 0 HA PRO A 28 -2.772 -10.025 -2.509 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.324 -12.601 -1.707 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.111 -11.701 -0.817 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -5.038 -12.078 -0.154 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.648 -12.308 0.887 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.088 -9.998 0.926 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.364 -10.006 1.245 1.00 0.52 H new ATOM 464 N GLU A 29 -5.883 -10.201 -2.584 1.00 0.54 N ATOM 465 CA GLU A 29 -7.052 -10.587 -3.377 1.00 0.67 C ATOM 466 C GLU A 29 -7.236 -9.698 -4.601 1.00 0.69 C ATOM 467 O GLU A 29 -8.125 -9.945 -5.421 1.00 0.85 O ATOM 468 CB GLU A 29 -8.329 -10.546 -2.537 1.00 0.85 C ATOM 469 CG GLU A 29 -8.798 -9.138 -2.214 1.00 0.90 C ATOM 470 CD GLU A 29 -10.183 -9.108 -1.609 1.00 1.18 C ATOM 471 OE1 GLU A 29 -10.453 -9.922 -0.702 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.997 -8.250 -2.010 1.00 1.49 O ATOM 0 H GLU A 29 -6.062 -9.504 -1.861 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.868 -11.607 -3.713 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.122 -11.071 -3.070 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.159 -11.086 -1.606 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -8.094 -8.675 -1.523 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.791 -8.539 -3.125 1.00 0.90 H new ATOM 479 N TRP A 30 -6.419 -8.663 -4.724 1.00 0.64 N ATOM 480 CA TRP A 30 -6.585 -7.703 -5.812 1.00 0.81 C ATOM 481 C TRP A 30 -6.113 -8.288 -7.145 1.00 0.66 C ATOM 482 O TRP A 30 -5.678 -9.437 -7.223 1.00 0.74 O ATOM 483 CB TRP A 30 -5.816 -6.402 -5.544 1.00 1.07 C ATOM 484 CG TRP A 30 -5.953 -5.844 -4.162 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.830 -6.224 -3.192 1.00 0.50 C ATOM 486 CD2 TRP A 30 -5.170 -4.786 -3.602 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.614 -5.496 -2.052 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.605 -4.598 -2.283 1.00 2.05 C ATOM 489 CE3 TRP A 30 -4.132 -3.984 -4.088 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -5.039 -3.645 -1.445 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -3.575 -3.038 -3.253 1.00 4.62 C ATOM 492 CH2 TRP A 30 -4.027 -2.876 -1.945 1.00 4.29 C ATOM 0 H TRP A 30 -5.642 -8.465 -4.094 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.651 -7.481 -5.868 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.759 -6.578 -5.742 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -6.153 -5.648 -6.256 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.585 -6.988 -3.305 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -7.122 -5.605 -1.174 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -3.773 -4.103 -5.100 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -5.388 -3.517 -0.431 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -2.775 -2.412 -3.619 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -3.569 -2.128 -1.315 1.00 4.29 H new ATOM 503 N TRP A 31 -6.210 -7.475 -8.187 1.00 0.55 N ATOM 504 CA TRP A 31 -5.780 -7.856 -9.529 1.00 0.57 C ATOM 505 C TRP A 31 -4.346 -7.385 -9.897 1.00 0.60 C ATOM 506 O TRP A 31 -3.672 -8.075 -10.655 1.00 0.74 O ATOM 507 CB TRP A 31 -6.752 -7.288 -10.571 1.00 0.74 C ATOM 508 CG TRP A 31 -8.184 -7.690 -10.371 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.176 -6.942 -9.799 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.788 -8.931 -10.754 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.357 -7.644 -9.806 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.145 -8.866 -10.384 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.316 -10.091 -11.373 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -11.032 -9.915 -10.612 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.198 -11.131 -11.600 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.542 -11.037 -11.220 1.00 2.78 C ATOM 0 H TRP A 31 -6.590 -6.530 -8.128 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.774 -8.946 -9.533 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.688 -6.200 -10.554 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.432 -7.611 -11.562 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.050 -5.946 -9.401 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.248 -7.308 -9.440 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.281 -10.174 -11.669 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -12.069 -9.845 -10.319 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.844 -12.032 -12.079 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.205 -11.868 -11.411 1.00 2.78 H new ATOM 527 N PRO A 32 -3.850 -6.212 -9.397 1.00 0.71 N ATOM 528 CA PRO A 32 -2.635 -5.569 -9.945 1.00 0.84 C ATOM 529 C PRO A 32 -1.311 -6.289 -9.628 1.00 0.85 C ATOM 530 O PRO A 32 -1.123 -7.458 -9.955 1.00 1.36 O ATOM 531 CB PRO A 32 -2.657 -4.184 -9.294 1.00 1.01 C ATOM 532 CG PRO A 32 -3.375 -4.378 -8.006 1.00 0.92 C ATOM 533 CD PRO A 32 -4.407 -5.427 -8.274 1.00 0.87 C ATOM 0 HA PRO A 32 -2.661 -5.572 -11.035 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.647 -3.808 -9.131 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.169 -3.458 -9.926 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.690 -4.694 -7.219 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.838 -3.449 -7.672 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.575 -6.052 -7.397 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.367 -4.982 -8.537 1.00 0.87 H new ATOM 541 N ASN A 33 -0.377 -5.560 -9.012 1.00 0.53 N ATOM 542 CA ASN A 33 0.987 -6.054 -8.786 1.00 0.57 C ATOM 543 C ASN A 33 0.992 -7.287 -7.890 1.00 0.67 C ATOM 544 O ASN A 33 1.915 -8.095 -7.934 1.00 0.72 O ATOM 545 CB ASN A 33 1.853 -4.950 -8.167 1.00 0.60 C ATOM 546 CG ASN A 33 3.344 -5.227 -8.280 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.967 -4.896 -9.286 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.933 -5.805 -7.244 1.00 0.76 N ATOM 0 H ASN A 33 -0.541 -4.618 -8.658 1.00 0.53 H new ATOM 0 HA ASN A 33 1.403 -6.339 -9.752 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.628 -4.002 -8.656 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.589 -4.836 -7.115 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.936 -5.989 -7.265 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.384 -6.066 -6.425 1.00 0.76 H new ATOM 555 N ASN A 34 -0.064 -7.439 -7.106 1.00 0.85 N ATOM 556 CA ASN A 34 -0.175 -8.554 -6.164 1.00 1.03 C ATOM 557 C ASN A 34 -0.778 -9.786 -6.826 1.00 1.40 C ATOM 558 O ASN A 34 -1.228 -10.712 -6.153 1.00 1.74 O ATOM 559 CB ASN A 34 -1.007 -8.152 -4.945 1.00 1.07 C ATOM 560 CG ASN A 34 -2.283 -7.434 -5.309 1.00 1.16 C ATOM 561 OD1 ASN A 34 -2.844 -7.616 -6.386 1.00 1.79 O ATOM 562 ND2 ASN A 34 -2.753 -6.607 -4.403 1.00 1.47 N ATOM 0 H ASN A 34 -0.862 -6.804 -7.100 1.00 0.85 H new ATOM 0 HA ASN A 34 0.833 -8.806 -5.836 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -1.251 -9.045 -4.369 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -0.408 -7.510 -4.299 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -3.613 -6.089 -4.583 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.258 -6.483 -3.520 1.00 1.47 H new ATOM 569 N PHE A 35 -0.769 -9.794 -8.150 1.00 1.51 N ATOM 570 CA PHE A 35 -1.225 -10.945 -8.922 1.00 1.98 C ATOM 571 C PHE A 35 -0.214 -12.088 -8.806 1.00 2.03 C ATOM 572 O PHE A 35 -0.476 -13.219 -9.214 1.00 2.51 O ATOM 573 CB PHE A 35 -1.416 -10.538 -10.388 1.00 2.40 C ATOM 574 CG PHE A 35 -2.033 -11.599 -11.254 1.00 2.92 C ATOM 575 CD1 PHE A 35 -1.264 -12.294 -12.175 1.00 3.19 C ATOM 576 CD2 PHE A 35 -3.381 -11.899 -11.150 1.00 3.49 C ATOM 577 CE1 PHE A 35 -1.828 -13.267 -12.976 1.00 3.91 C ATOM 578 CE2 PHE A 35 -3.951 -12.873 -11.948 1.00 4.27 C ATOM 579 CZ PHE A 35 -3.173 -13.557 -12.862 1.00 4.45 C ATOM 0 H PHE A 35 -0.448 -9.010 -8.718 1.00 1.51 H new ATOM 0 HA PHE A 35 -2.180 -11.291 -8.527 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.042 -9.647 -10.426 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -0.447 -10.265 -10.805 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -0.211 -12.072 -12.267 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -3.993 -11.366 -10.438 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -1.218 -13.800 -13.690 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -5.003 -13.099 -11.857 1.00 4.27 H new ATOM 0 HZ PHE A 35 -3.617 -14.318 -13.487 1.00 4.45 H new ATOM 589 N ARG A 36 0.946 -11.782 -8.238 1.00 1.65 N ATOM 590 CA ARG A 36 2.006 -12.764 -8.090 1.00 1.75 C ATOM 591 C ARG A 36 2.106 -13.258 -6.650 1.00 1.59 C ATOM 592 O ARG A 36 2.378 -12.484 -5.731 1.00 1.48 O ATOM 593 CB ARG A 36 3.349 -12.176 -8.532 1.00 1.73 C ATOM 594 CG ARG A 36 3.367 -11.737 -9.990 1.00 1.84 C ATOM 595 CD ARG A 36 3.048 -12.895 -10.923 1.00 2.25 C ATOM 596 NE ARG A 36 2.800 -12.452 -12.293 1.00 2.72 N ATOM 597 CZ ARG A 36 2.213 -13.214 -13.219 1.00 3.34 C ATOM 598 NH1 ARG A 36 1.841 -14.454 -12.921 1.00 3.59 N ATOM 599 NH2 ARG A 36 1.991 -12.743 -14.435 1.00 4.14 N ATOM 0 H ARG A 36 1.174 -10.858 -7.872 1.00 1.65 H new ATOM 0 HA ARG A 36 1.761 -13.613 -8.728 1.00 1.75 H new ATOM 0 HB2 ARG A 36 3.588 -11.321 -7.900 1.00 1.73 H new ATOM 0 HB3 ARG A 36 4.132 -12.918 -8.374 1.00 1.73 H new ATOM 0 HG2 ARG A 36 2.642 -10.937 -10.140 1.00 1.84 H new ATOM 0 HG3 ARG A 36 4.347 -11.329 -10.236 1.00 1.84 H new ATOM 0 HD2 ARG A 36 3.877 -13.602 -10.917 1.00 2.25 H new ATOM 0 HD3 ARG A 36 2.172 -13.427 -10.552 1.00 2.25 H new ATOM 0 HE ARG A 36 3.091 -11.510 -12.556 1.00 2.72 H new ATOM 0 HH11 ARG A 36 2.004 -14.824 -11.985 1.00 3.59 H new ATOM 0 HH12 ARG A 36 1.393 -15.036 -13.629 1.00 3.59 H new ATOM 0 HH21 ARG A 36 2.269 -11.791 -14.672 1.00 4.14 H new ATOM 0 HH22 ARG A 36 1.542 -13.332 -15.136 1.00 4.14 H new ATOM 613 N THR A 37 1.902 -14.552 -6.474 1.00 1.75 N ATOM 614 CA THR A 37 2.025 -15.185 -5.180 1.00 1.72 C ATOM 615 C THR A 37 3.494 -15.377 -4.843 1.00 1.37 C ATOM 616 O THR A 37 4.324 -15.488 -5.746 1.00 1.37 O ATOM 617 CB THR A 37 1.301 -16.543 -5.162 1.00 2.19 C ATOM 618 OG1 THR A 37 1.526 -17.232 -6.400 1.00 2.53 O ATOM 619 CG2 THR A 37 -0.192 -16.364 -4.943 1.00 2.68 C ATOM 0 H THR A 37 1.646 -15.191 -7.227 1.00 1.75 H new ATOM 0 HA THR A 37 1.561 -14.541 -4.433 1.00 1.72 H new ATOM 0 HB THR A 37 1.703 -17.131 -4.336 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.064 -18.096 -6.382 1.00 2.53 H new ATOM 0 HG21 THR A 37 -0.678 -17.340 -4.935 1.00 2.68 H new ATOM 0 HG22 THR A 37 -0.363 -15.866 -3.989 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.608 -15.758 -5.748 1.00 2.68 H new ATOM 627 N THR A 38 3.801 -15.377 -3.551 1.00 1.24 N ATOM 628 CA THR A 38 5.176 -15.440 -3.050 1.00 1.07 C ATOM 629 C THR A 38 6.017 -14.309 -3.633 1.00 1.09 C ATOM 630 O THR A 38 7.237 -14.409 -3.771 1.00 1.38 O ATOM 631 CB THR A 38 5.858 -16.810 -3.282 1.00 1.16 C ATOM 632 OG1 THR A 38 5.844 -17.189 -4.666 1.00 1.42 O ATOM 633 CG2 THR A 38 5.179 -17.892 -2.454 1.00 1.37 C ATOM 0 H THR A 38 3.099 -15.333 -2.812 1.00 1.24 H new ATOM 0 HA THR A 38 5.110 -15.316 -1.969 1.00 1.07 H new ATOM 0 HB THR A 38 6.897 -16.706 -2.968 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.629 -16.408 -5.217 1.00 1.42 H new ATOM 0 HG21 THR A 38 5.672 -18.848 -2.630 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.248 -17.638 -1.396 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.130 -17.966 -2.742 1.00 1.37 H new ATOM 641 N LYS A 39 5.326 -13.242 -4.002 1.00 0.96 N ATOM 642 CA LYS A 39 5.965 -11.973 -4.299 1.00 1.09 C ATOM 643 C LYS A 39 5.307 -10.865 -3.490 1.00 1.22 C ATOM 644 O LYS A 39 5.965 -10.200 -2.690 1.00 1.97 O ATOM 645 CB LYS A 39 5.900 -11.646 -5.790 1.00 1.15 C ATOM 646 CG LYS A 39 6.445 -10.263 -6.117 1.00 1.49 C ATOM 647 CD LYS A 39 6.813 -10.128 -7.582 1.00 1.66 C ATOM 648 CE LYS A 39 7.904 -11.117 -7.970 1.00 2.28 C ATOM 649 NZ LYS A 39 9.043 -11.102 -7.009 1.00 2.90 N ATOM 0 H LYS A 39 4.311 -13.232 -4.103 1.00 0.96 H new ATOM 0 HA LYS A 39 7.017 -12.051 -4.024 1.00 1.09 H new ATOM 0 HB2 LYS A 39 6.465 -12.394 -6.346 1.00 1.15 H new ATOM 0 HB3 LYS A 39 4.865 -11.712 -6.127 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.700 -9.510 -5.860 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.324 -10.065 -5.503 1.00 1.49 H new ATOM 0 HD2 LYS A 39 5.930 -10.297 -8.198 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.152 -9.112 -7.782 1.00 1.66 H new ATOM 0 HE2 LYS A 39 7.483 -12.121 -8.016 1.00 2.28 H new ATOM 0 HE3 LYS A 39 8.270 -10.879 -8.969 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 9.919 -11.366 -7.504 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 9.146 -10.148 -6.608 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 8.860 -11.781 -6.243 1.00 2.90 H new ATOM 663 N VAL A 40 4.001 -10.684 -3.701 1.00 1.04 N ATOM 664 CA VAL A 40 3.218 -9.675 -2.987 1.00 1.22 C ATOM 665 C VAL A 40 1.737 -10.040 -3.001 1.00 1.42 C ATOM 666 O VAL A 40 0.880 -9.166 -2.911 1.00 1.83 O ATOM 667 CB VAL A 40 3.369 -8.267 -3.614 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.675 -7.612 -3.200 1.00 1.78 C ATOM 669 CG2 VAL A 40 3.272 -8.340 -5.131 1.00 1.40 C ATOM 0 H VAL A 40 3.459 -11.231 -4.370 1.00 1.04 H new ATOM 0 HA VAL A 40 3.601 -9.653 -1.967 1.00 1.22 H new ATOM 0 HB VAL A 40 2.551 -7.651 -3.240 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.748 -6.626 -3.658 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.704 -7.512 -2.115 1.00 1.78 H new ATOM 0 HG13 VAL A 40 5.512 -8.228 -3.530 1.00 1.78 H new ATOM 0 HG21 VAL A 40 3.381 -7.340 -5.551 1.00 1.40 H new ATOM 0 HG22 VAL A 40 4.063 -8.983 -5.516 1.00 1.40 H new ATOM 0 HG23 VAL A 40 2.302 -8.749 -5.414 1.00 1.40 H new ATOM 679 N GLY A 41 1.435 -11.330 -3.076 1.00 1.42 N ATOM 680 CA GLY A 41 0.059 -11.741 -3.304 1.00 1.82 C ATOM 681 C GLY A 41 -0.287 -13.100 -2.727 1.00 1.67 C ATOM 682 O GLY A 41 -1.274 -13.713 -3.131 1.00 2.17 O ATOM 0 H GLY A 41 2.107 -12.092 -2.985 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.608 -10.995 -2.872 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.131 -11.755 -4.377 1.00 1.82 H new ATOM 686 N ALA A 42 0.519 -13.584 -1.797 1.00 1.12 N ATOM 687 CA ALA A 42 0.208 -14.828 -1.100 1.00 1.00 C ATOM 688 C ALA A 42 -0.925 -14.596 -0.096 1.00 1.01 C ATOM 689 O ALA A 42 -1.194 -13.455 0.262 1.00 1.09 O ATOM 690 CB ALA A 42 1.453 -15.375 -0.414 1.00 0.80 C ATOM 0 H ALA A 42 1.390 -13.140 -1.506 1.00 1.12 H new ATOM 0 HA ALA A 42 -0.127 -15.571 -1.824 1.00 1.00 H new ATOM 0 HB1 ALA A 42 1.206 -16.303 0.102 1.00 0.80 H new ATOM 0 HB2 ALA A 42 2.224 -15.568 -1.160 1.00 0.80 H new ATOM 0 HB3 ALA A 42 1.821 -14.646 0.308 1.00 0.80 H new ATOM 696 N PRO A 43 -1.586 -15.681 0.377 1.00 1.05 N ATOM 697 CA PRO A 43 -2.803 -15.624 1.235 1.00 1.15 C ATOM 698 C PRO A 43 -2.731 -14.709 2.470 1.00 1.08 C ATOM 699 O PRO A 43 -3.730 -14.545 3.171 1.00 1.40 O ATOM 700 CB PRO A 43 -2.959 -17.073 1.690 1.00 1.29 C ATOM 701 CG PRO A 43 -2.400 -17.864 0.568 1.00 1.48 C ATOM 702 CD PRO A 43 -1.215 -17.083 0.087 1.00 1.11 C ATOM 0 HA PRO A 43 -3.629 -15.198 0.666 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -2.419 -17.260 2.618 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -4.004 -17.323 1.873 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -2.107 -18.861 0.897 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -3.135 -17.994 -0.227 1.00 1.48 H new ATOM 0 HD2 PRO A 43 -0.304 -17.374 0.610 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -1.036 -17.239 -0.977 1.00 1.11 H new ATOM 710 N LEU A 44 -1.578 -14.124 2.743 1.00 0.87 N ATOM 711 CA LEU A 44 -1.440 -13.241 3.888 1.00 0.85 C ATOM 712 C LEU A 44 -1.385 -11.781 3.437 1.00 0.81 C ATOM 713 O LEU A 44 -2.401 -11.083 3.434 1.00 1.24 O ATOM 714 CB LEU A 44 -0.196 -13.597 4.704 1.00 0.95 C ATOM 715 CG LEU A 44 0.084 -12.660 5.876 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.079 -12.671 6.858 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.374 -13.058 6.575 1.00 1.66 C ATOM 0 H LEU A 44 -0.728 -14.243 2.191 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.314 -13.373 4.525 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.306 -14.612 5.086 1.00 0.95 H new ATOM 0 HB3 LEU A 44 0.669 -13.598 4.041 1.00 0.95 H new ATOM 0 HG LEU A 44 0.197 -11.647 5.489 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.862 -11.997 7.687 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.986 -12.342 6.351 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.223 -13.682 7.240 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.560 -12.381 7.408 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.285 -14.078 6.949 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.203 -13.001 5.869 1.00 1.66 H new ATOM 729 N GLY A 45 -0.195 -11.315 3.083 1.00 0.61 N ATOM 730 CA GLY A 45 -0.053 -9.987 2.526 1.00 0.75 C ATOM 731 C GLY A 45 0.216 -8.931 3.577 1.00 0.61 C ATOM 732 O GLY A 45 1.124 -8.119 3.430 1.00 0.61 O ATOM 0 H GLY A 45 0.677 -11.836 3.173 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.762 -9.988 1.802 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -0.962 -9.728 1.982 1.00 0.75 H new ATOM 736 N VAL A 46 -0.574 -8.943 4.637 1.00 0.54 N ATOM 737 CA VAL A 46 -0.452 -7.956 5.704 1.00 0.45 C ATOM 738 C VAL A 46 -0.641 -8.597 7.076 1.00 0.47 C ATOM 739 O VAL A 46 -1.503 -9.458 7.255 1.00 0.60 O ATOM 740 CB VAL A 46 -1.483 -6.813 5.535 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.486 -5.896 6.745 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.205 -6.008 4.277 1.00 0.49 C ATOM 0 H VAL A 46 -1.313 -9.630 4.785 1.00 0.54 H new ATOM 0 HA VAL A 46 0.554 -7.543 5.637 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.467 -7.273 5.444 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.219 -5.103 6.599 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.744 -6.469 7.635 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.496 -5.457 6.871 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.944 -5.212 4.183 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.208 -5.572 4.337 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.263 -6.661 3.407 1.00 0.49 H new ATOM 752 N ASP A 47 0.150 -8.149 8.041 1.00 0.41 N ATOM 753 CA ASP A 47 0.058 -8.631 9.410 1.00 0.49 C ATOM 754 C ASP A 47 -0.798 -7.678 10.227 1.00 0.52 C ATOM 755 O ASP A 47 -0.424 -6.518 10.431 1.00 0.57 O ATOM 756 CB ASP A 47 1.445 -8.753 10.038 1.00 0.58 C ATOM 757 CG ASP A 47 1.379 -9.082 11.514 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.126 -10.255 11.854 1.00 1.11 O ATOM 759 OD2 ASP A 47 1.588 -8.175 12.338 1.00 0.95 O ATOM 0 H ASP A 47 0.872 -7.443 7.896 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.401 -9.620 9.402 1.00 0.49 H new ATOM 0 HB2 ASP A 47 2.009 -9.528 9.520 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.988 -7.818 9.900 1.00 0.58 H new ATOM 764 N LYS A 48 -1.939 -8.181 10.685 1.00 0.63 N ATOM 765 CA LYS A 48 -2.962 -7.358 11.328 1.00 0.79 C ATOM 766 C LYS A 48 -2.625 -7.052 12.788 1.00 0.85 C ATOM 767 O LYS A 48 -3.045 -6.026 13.330 1.00 1.06 O ATOM 768 CB LYS A 48 -4.318 -8.068 11.274 1.00 1.01 C ATOM 769 CG LYS A 48 -4.718 -8.502 9.878 1.00 1.38 C ATOM 770 CD LYS A 48 -4.530 -7.372 8.888 1.00 1.34 C ATOM 771 CE LYS A 48 -4.877 -7.794 7.478 1.00 2.06 C ATOM 772 NZ LYS A 48 -4.178 -9.045 7.064 1.00 2.81 N ATOM 0 H LYS A 48 -2.183 -9.169 10.622 1.00 0.63 H new ATOM 0 HA LYS A 48 -3.002 -6.416 10.781 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.287 -8.943 11.923 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -5.084 -7.402 11.672 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.120 -9.361 9.574 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -5.760 -8.823 9.877 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -5.155 -6.527 9.178 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -3.496 -7.029 8.920 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.954 -7.942 7.402 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -4.616 -6.991 6.788 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.300 -9.189 6.041 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -3.165 -8.966 7.284 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -4.581 -9.854 7.578 1.00 2.81 H new ATOM 786 N LYS A 49 -1.877 -7.949 13.421 1.00 0.80 N ATOM 787 CA LYS A 49 -1.652 -7.871 14.860 1.00 0.97 C ATOM 788 C LYS A 49 -0.522 -6.908 15.222 1.00 1.14 C ATOM 789 O LYS A 49 -0.677 -6.080 16.121 1.00 1.32 O ATOM 790 CB LYS A 49 -1.388 -9.267 15.440 1.00 1.08 C ATOM 791 CG LYS A 49 -0.287 -10.044 14.731 1.00 1.35 C ATOM 792 CD LYS A 49 -0.139 -11.443 15.307 1.00 1.66 C ATOM 793 CE LYS A 49 0.933 -12.243 14.581 1.00 2.40 C ATOM 794 NZ LYS A 49 0.606 -12.440 13.144 1.00 3.17 N ATOM 0 H LYS A 49 -1.418 -8.736 12.963 1.00 0.80 H new ATOM 0 HA LYS A 49 -2.562 -7.471 15.307 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.125 -9.166 16.493 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -2.311 -9.846 15.396 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -0.512 -10.109 13.667 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.657 -9.508 14.825 1.00 1.35 H new ATOM 0 HD2 LYS A 49 0.112 -11.375 16.365 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -1.092 -11.967 15.239 1.00 1.66 H new ATOM 0 HE2 LYS A 49 1.890 -11.728 14.667 1.00 2.40 H new ATOM 0 HE3 LYS A 49 1.049 -13.214 15.063 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 0.802 -13.425 12.875 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.400 -12.231 12.985 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 1.188 -11.801 12.565 1.00 3.17 H new ATOM 808 N GLY A 50 0.604 -7.006 14.532 1.00 1.22 N ATOM 809 CA GLY A 50 1.734 -6.155 14.846 1.00 1.53 C ATOM 810 C GLY A 50 1.848 -4.993 13.890 1.00 1.14 C ATOM 811 O GLY A 50 2.298 -3.909 14.264 1.00 1.29 O ATOM 0 H GLY A 50 0.756 -7.658 13.762 1.00 1.22 H new ATOM 0 HA2 GLY A 50 1.633 -5.779 15.864 1.00 1.53 H new ATOM 0 HA3 GLY A 50 2.651 -6.743 14.813 1.00 1.53 H new ATOM 815 N GLY A 51 1.442 -5.217 12.653 1.00 0.77 N ATOM 816 CA GLY A 51 1.480 -4.160 11.670 1.00 0.65 C ATOM 817 C GLY A 51 2.630 -4.320 10.702 1.00 0.56 C ATOM 818 O GLY A 51 3.603 -3.568 10.748 1.00 0.60 O ATOM 0 H GLY A 51 1.087 -6.111 12.312 1.00 0.77 H new ATOM 0 HA2 GLY A 51 0.541 -4.147 11.117 1.00 0.65 H new ATOM 0 HA3 GLY A 51 1.565 -3.198 12.176 1.00 0.65 H new ATOM 822 N ARG A 52 2.528 -5.308 9.830 1.00 0.51 N ATOM 823 CA ARG A 52 3.537 -5.527 8.794 1.00 0.53 C ATOM 824 C ARG A 52 2.860 -5.824 7.466 1.00 0.50 C ATOM 825 O ARG A 52 1.678 -6.139 7.435 1.00 0.60 O ATOM 826 CB ARG A 52 4.469 -6.695 9.150 1.00 0.68 C ATOM 827 CG ARG A 52 5.683 -6.321 9.993 1.00 1.04 C ATOM 828 CD ARG A 52 5.309 -5.998 11.429 1.00 1.42 C ATOM 829 NE ARG A 52 6.476 -5.652 12.238 1.00 2.14 N ATOM 830 CZ ARG A 52 6.474 -4.724 13.195 1.00 2.80 C ATOM 831 NH1 ARG A 52 5.383 -3.998 13.419 1.00 2.98 N ATOM 832 NH2 ARG A 52 7.571 -4.507 13.908 1.00 3.72 N ATOM 0 H ARG A 52 1.757 -5.976 9.814 1.00 0.51 H new ATOM 0 HA ARG A 52 4.133 -4.618 8.719 1.00 0.53 H new ATOM 0 HB2 ARG A 52 3.892 -7.449 9.686 1.00 0.68 H new ATOM 0 HB3 ARG A 52 4.816 -7.157 8.226 1.00 0.68 H new ATOM 0 HG2 ARG A 52 6.398 -7.144 9.982 1.00 1.04 H new ATOM 0 HG3 ARG A 52 6.181 -5.460 9.547 1.00 1.04 H new ATOM 0 HD2 ARG A 52 4.602 -5.169 11.441 1.00 1.42 H new ATOM 0 HD3 ARG A 52 4.803 -6.855 11.873 1.00 1.42 H new ATOM 0 HE ARG A 52 7.347 -6.152 12.059 1.00 2.14 H new ATOM 0 HH11 ARG A 52 4.545 -4.150 12.858 1.00 2.98 H new ATOM 0 HH12 ARG A 52 5.384 -3.289 14.152 1.00 2.98 H new ATOM 0 HH21 ARG A 52 8.415 -5.050 13.724 1.00 3.72 H new ATOM 0 HH22 ARG A 52 7.571 -3.797 14.641 1.00 3.72 H new ATOM 846 N TRP A 53 3.595 -5.696 6.373 1.00 0.52 N ATOM 847 CA TRP A 53 3.115 -6.175 5.084 1.00 0.53 C ATOM 848 C TRP A 53 4.038 -7.282 4.595 1.00 0.57 C ATOM 849 O TRP A 53 5.182 -7.020 4.211 1.00 0.73 O ATOM 850 CB TRP A 53 3.074 -5.050 4.040 1.00 0.65 C ATOM 851 CG TRP A 53 2.105 -3.935 4.326 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.961 -3.236 5.488 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.167 -3.368 3.405 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.988 -2.277 5.346 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.488 -2.339 4.077 1.00 0.82 C ATOM 856 CE3 TRP A 53 0.832 -3.632 2.076 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.501 -1.574 3.468 1.00 1.11 C ATOM 858 CZ3 TRP A 53 -0.150 -2.871 1.472 1.00 1.20 C ATOM 859 CH2 TRP A 53 -0.807 -1.854 2.168 1.00 1.28 C ATOM 0 H TRP A 53 4.520 -5.268 6.351 1.00 0.52 H new ATOM 0 HA TRP A 53 2.099 -6.548 5.214 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.074 -4.625 3.950 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.825 -5.485 3.072 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.530 -3.411 6.389 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.688 -1.625 6.071 1.00 0.68 H new ATOM 0 HE3 TRP A 53 1.332 -4.418 1.529 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -1.009 -0.786 4.005 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 -0.414 -3.066 0.443 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -1.572 -1.278 1.668 1.00 1.28 H new ATOM 870 N TYR A 54 3.554 -8.519 4.630 1.00 0.49 N ATOM 871 CA TYR A 54 4.344 -9.652 4.179 1.00 0.58 C ATOM 872 C TYR A 54 3.457 -10.872 3.913 1.00 0.49 C ATOM 873 O TYR A 54 2.334 -10.962 4.403 1.00 0.52 O ATOM 874 CB TYR A 54 5.454 -9.980 5.196 1.00 0.75 C ATOM 875 CG TYR A 54 5.006 -10.701 6.453 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.398 -12.004 6.734 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.160 -10.070 7.349 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.955 -12.650 7.875 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.715 -10.703 8.488 1.00 0.95 C ATOM 880 CZ TYR A 54 4.255 -12.052 8.767 1.00 1.20 C ATOM 881 OH TYR A 54 3.669 -12.631 9.888 1.00 1.66 O ATOM 0 H TYR A 54 2.621 -8.759 4.965 1.00 0.49 H new ATOM 0 HA TYR A 54 4.820 -9.380 3.237 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.207 -10.591 4.699 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.940 -9.049 5.488 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.058 -12.520 6.052 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.842 -9.057 7.150 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.207 -13.690 8.018 1.00 1.06 H new ATOM 0 HE2 TYR A 54 3.002 -10.234 9.150 1.00 0.95 H new ATOM 0 HH TYR A 54 3.193 -11.944 10.400 1.00 1.66 H new ATOM 891 N GLU A 55 3.980 -11.799 3.128 1.00 0.52 N ATOM 892 CA GLU A 55 3.249 -13.000 2.721 1.00 0.56 C ATOM 893 C GLU A 55 3.711 -14.187 3.532 1.00 0.62 C ATOM 894 O GLU A 55 4.455 -14.027 4.488 1.00 0.81 O ATOM 895 CB GLU A 55 3.501 -13.338 1.262 1.00 0.73 C ATOM 896 CG GLU A 55 3.315 -12.209 0.290 1.00 0.81 C ATOM 897 CD GLU A 55 3.909 -12.593 -1.036 1.00 1.51 C ATOM 898 OE1 GLU A 55 3.140 -12.940 -1.958 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.149 -12.614 -1.136 1.00 2.12 O ATOM 0 H GLU A 55 4.926 -11.745 2.751 1.00 0.52 H new ATOM 0 HA GLU A 55 2.190 -12.795 2.880 1.00 0.56 H new ATOM 0 HB2 GLU A 55 4.520 -13.712 1.166 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.835 -14.152 0.977 1.00 0.73 H new ATOM 0 HG2 GLU A 55 2.255 -11.984 0.175 1.00 0.81 H new ATOM 0 HG3 GLU A 55 3.794 -11.306 0.668 1.00 0.81 H new ATOM 906 N ILE A 56 3.191 -15.359 3.213 1.00 0.63 N ATOM 907 CA ILE A 56 3.873 -16.594 3.565 1.00 0.68 C ATOM 908 C ILE A 56 4.506 -17.183 2.304 1.00 0.70 C ATOM 909 O ILE A 56 3.803 -17.597 1.384 1.00 0.80 O ATOM 910 CB ILE A 56 2.947 -17.633 4.225 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.305 -17.035 5.476 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.741 -18.887 4.579 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.315 -16.485 6.461 1.00 0.90 C ATOM 0 H ILE A 56 2.309 -15.483 2.716 1.00 0.63 H new ATOM 0 HA ILE A 56 4.634 -16.350 4.306 1.00 0.68 H new ATOM 0 HB ILE A 56 2.158 -17.908 3.525 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.624 -16.237 5.181 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.705 -17.800 5.970 1.00 0.90 H new ATOM 0 HG21 ILE A 56 3.079 -19.617 5.045 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.171 -19.314 3.673 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.541 -18.627 5.272 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.794 -16.075 7.326 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.981 -17.285 6.784 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.898 -15.698 5.983 1.00 0.90 H new ATOM 925 N ASP A 57 5.836 -17.175 2.254 1.00 0.65 N ATOM 926 CA ASP A 57 6.564 -17.600 1.066 1.00 0.72 C ATOM 927 C ASP A 57 6.894 -19.089 1.144 1.00 0.76 C ATOM 928 O ASP A 57 6.622 -19.735 2.153 1.00 0.96 O ATOM 929 CB ASP A 57 7.845 -16.782 0.923 1.00 0.84 C ATOM 930 CG ASP A 57 8.286 -16.633 -0.516 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.148 -15.525 -1.069 1.00 1.71 O ATOM 932 OD2 ASP A 57 8.749 -17.624 -1.097 1.00 1.97 O ATOM 0 H ASP A 57 6.431 -16.877 3.027 1.00 0.65 H new ATOM 0 HA ASP A 57 5.935 -17.433 0.191 1.00 0.72 H new ATOM 0 HB2 ASP A 57 7.690 -15.793 1.355 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.641 -17.259 1.495 1.00 0.84 H new ATOM 937 N GLU A 58 7.518 -19.620 0.101 1.00 0.87 N ATOM 938 CA GLU A 58 7.713 -21.060 -0.019 1.00 1.01 C ATOM 939 C GLU A 58 8.956 -21.557 0.729 1.00 1.04 C ATOM 940 O GLU A 58 8.935 -22.643 1.305 1.00 1.17 O ATOM 941 CB GLU A 58 7.791 -21.465 -1.495 1.00 1.35 C ATOM 942 CG GLU A 58 8.947 -20.833 -2.251 1.00 1.54 C ATOM 943 CD GLU A 58 9.065 -21.357 -3.665 1.00 2.04 C ATOM 944 OE1 GLU A 58 8.802 -20.587 -4.612 1.00 2.43 O ATOM 945 OE2 GLU A 58 9.407 -22.543 -3.839 1.00 2.21 O ATOM 0 H GLU A 58 7.898 -19.076 -0.674 1.00 0.87 H new ATOM 0 HA GLU A 58 6.849 -21.534 0.447 1.00 1.01 H new ATOM 0 HB2 GLU A 58 7.879 -22.550 -1.559 1.00 1.35 H new ATOM 0 HB3 GLU A 58 6.857 -21.191 -1.986 1.00 1.35 H new ATOM 0 HG2 GLU A 58 8.813 -19.752 -2.277 1.00 1.54 H new ATOM 0 HG3 GLU A 58 9.877 -21.026 -1.716 1.00 1.54 H new ATOM 952 N GLN A 59 10.032 -20.770 0.743 1.00 1.10 N ATOM 953 CA GLN A 59 11.298 -21.246 1.317 1.00 1.36 C ATOM 954 C GLN A 59 11.380 -20.962 2.815 1.00 1.39 C ATOM 955 O GLN A 59 12.446 -21.064 3.419 1.00 1.70 O ATOM 956 CB GLN A 59 12.524 -20.649 0.597 1.00 1.60 C ATOM 957 CG GLN A 59 12.816 -19.183 0.900 1.00 1.69 C ATOM 958 CD GLN A 59 11.946 -18.235 0.113 1.00 1.62 C ATOM 959 OE1 GLN A 59 10.839 -17.834 0.699 1.00 2.39 O flip ATOM 960 NE2 GLN A 59 12.279 -17.849 -1.008 1.00 1.40 N flip ATOM 0 H GLN A 59 10.058 -19.820 0.373 1.00 1.10 H new ATOM 0 HA GLN A 59 11.314 -22.326 1.168 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.402 -21.238 0.863 1.00 1.60 H new ATOM 0 HB3 GLN A 59 12.380 -20.758 -0.478 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.671 -19.002 1.965 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.863 -18.974 0.681 1.00 1.69 H new ATOM 0 HE21 GLN A 59 13.146 -18.185 -1.426 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.687 -17.193 -1.518 1.00 1.40 H new ATOM 969 N GLY A 60 10.249 -20.635 3.415 1.00 1.19 N ATOM 970 CA GLY A 60 10.224 -20.379 4.840 1.00 1.39 C ATOM 971 C GLY A 60 10.315 -18.906 5.173 1.00 1.45 C ATOM 972 O GLY A 60 11.291 -18.454 5.768 1.00 2.29 O ATOM 0 H GLY A 60 9.349 -20.542 2.944 1.00 1.19 H new ATOM 0 HA2 GLY A 60 9.305 -20.786 5.261 1.00 1.39 H new ATOM 0 HA3 GLY A 60 11.052 -20.906 5.314 1.00 1.39 H new ATOM 976 N GLU A 61 9.299 -18.168 4.754 1.00 1.11 N ATOM 977 CA GLU A 61 9.128 -16.763 5.125 1.00 1.15 C ATOM 978 C GLU A 61 10.309 -15.880 4.749 1.00 1.26 C ATOM 979 O GLU A 61 11.106 -15.491 5.601 1.00 1.72 O ATOM 980 CB GLU A 61 8.798 -16.639 6.621 1.00 1.33 C ATOM 981 CG GLU A 61 7.325 -16.880 6.936 1.00 1.38 C ATOM 982 CD GLU A 61 6.711 -17.901 6.021 1.00 1.69 C ATOM 983 OE1 GLU A 61 6.544 -19.060 6.436 1.00 1.77 O ATOM 984 OE2 GLU A 61 6.419 -17.537 4.860 1.00 2.31 O ATOM 0 H GLU A 61 8.563 -18.524 4.144 1.00 1.11 H new ATOM 0 HA GLU A 61 8.287 -16.392 4.539 1.00 1.15 H new ATOM 0 HB2 GLU A 61 9.403 -17.353 7.180 1.00 1.33 H new ATOM 0 HB3 GLU A 61 9.078 -15.644 6.967 1.00 1.33 H new ATOM 0 HG2 GLU A 61 7.225 -17.213 7.969 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.778 -15.941 6.850 1.00 1.38 H new ATOM 991 N GLU A 62 10.423 -15.586 3.461 1.00 1.06 N ATOM 992 CA GLU A 62 11.369 -14.580 2.993 1.00 1.20 C ATOM 993 C GLU A 62 10.659 -13.638 2.028 1.00 1.00 C ATOM 994 O GLU A 62 10.812 -13.733 0.814 1.00 1.08 O ATOM 995 CB GLU A 62 12.590 -15.233 2.333 1.00 1.54 C ATOM 996 CG GLU A 62 13.640 -14.234 1.867 1.00 1.98 C ATOM 997 CD GLU A 62 14.065 -13.278 2.963 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.416 -12.226 3.129 1.00 2.61 O ATOM 999 OE2 GLU A 62 15.057 -13.570 3.657 1.00 2.56 O ATOM 0 H GLU A 62 9.875 -16.028 2.723 1.00 1.06 H new ATOM 0 HA GLU A 62 11.735 -14.008 3.846 1.00 1.20 H new ATOM 0 HB2 GLU A 62 13.048 -15.925 3.040 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.258 -15.823 1.479 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.514 -14.775 1.503 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.245 -13.664 1.026 1.00 1.98 H new ATOM 1006 N HIS A 63 9.821 -12.789 2.587 1.00 0.90 N ATOM 1007 CA HIS A 63 9.065 -11.805 1.816 1.00 0.85 C ATOM 1008 C HIS A 63 9.300 -10.398 2.352 1.00 0.92 C ATOM 1009 O HIS A 63 9.764 -10.233 3.478 1.00 1.22 O ATOM 1010 CB HIS A 63 7.580 -12.168 1.880 1.00 0.96 C ATOM 1011 CG HIS A 63 7.287 -13.144 2.973 1.00 1.85 C ATOM 1012 ND1 HIS A 63 7.493 -12.868 4.309 1.00 2.82 N ATOM 1013 CD2 HIS A 63 6.924 -14.437 2.913 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.274 -13.954 5.017 1.00 3.72 C ATOM 1015 NE2 HIS A 63 6.927 -14.925 4.198 1.00 3.37 N ATOM 0 H HIS A 63 9.640 -12.756 3.590 1.00 0.90 H new ATOM 0 HA HIS A 63 9.401 -11.819 0.779 1.00 0.85 H new ATOM 0 HB2 HIS A 63 6.992 -11.263 2.035 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.269 -12.590 0.924 1.00 0.96 H new ATOM 0 HD2 HIS A 63 6.676 -14.991 2.019 1.00 2.22 H new ATOM 0 HE1 HIS A 63 7.364 -14.036 6.090 1.00 3.72 H new ATOM 0 HE2 HIS A 63 6.698 -15.881 4.472 1.00 3.37 H new ATOM 1024 N THR A 64 8.961 -9.393 1.558 1.00 0.97 N ATOM 1025 CA THR A 64 9.096 -8.007 1.981 1.00 1.01 C ATOM 1026 C THR A 64 8.158 -7.107 1.180 1.00 1.50 C ATOM 1027 O THR A 64 8.027 -7.260 -0.034 1.00 2.27 O ATOM 1028 CB THR A 64 10.554 -7.505 1.838 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.656 -6.171 2.337 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.029 -7.549 0.391 1.00 1.44 C ATOM 0 H THR A 64 8.590 -9.512 0.615 1.00 0.97 H new ATOM 0 HA THR A 64 8.824 -7.962 3.035 1.00 1.01 H new ATOM 0 HB THR A 64 11.193 -8.170 2.419 1.00 1.03 H new ATOM 0 HG1 THR A 64 10.499 -5.536 1.607 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.056 -7.189 0.334 1.00 1.44 H new ATOM 0 HG22 THR A 64 10.983 -8.574 0.024 1.00 1.44 H new ATOM 0 HG23 THR A 64 10.388 -6.915 -0.222 1.00 1.44 H new ATOM 1038 N PHE A 65 7.479 -6.197 1.872 1.00 1.66 N ATOM 1039 CA PHE A 65 6.662 -5.194 1.205 1.00 2.32 C ATOM 1040 C PHE A 65 6.668 -3.891 1.991 1.00 1.96 C ATOM 1041 O PHE A 65 7.062 -2.846 1.471 1.00 2.43 O ATOM 1042 CB PHE A 65 5.219 -5.672 1.012 1.00 3.26 C ATOM 1043 CG PHE A 65 4.403 -4.743 0.151 1.00 4.27 C ATOM 1044 CD1 PHE A 65 4.186 -5.021 -1.190 1.00 4.99 C ATOM 1045 CD2 PHE A 65 3.844 -3.599 0.687 1.00 4.69 C ATOM 1046 CE1 PHE A 65 3.426 -4.175 -1.974 1.00 6.10 C ATOM 1047 CE2 PHE A 65 3.087 -2.747 -0.093 1.00 5.77 C ATOM 1048 CZ PHE A 65 2.921 -3.022 -1.453 1.00 6.48 C ATOM 0 H PHE A 65 7.479 -6.135 2.890 1.00 1.66 H new ATOM 0 HA PHE A 65 7.099 -5.026 0.220 1.00 2.32 H new ATOM 0 HB2 PHE A 65 5.228 -6.664 0.560 1.00 3.26 H new ATOM 0 HB3 PHE A 65 4.741 -5.770 1.987 1.00 3.26 H new ATOM 0 HD1 PHE A 65 4.617 -5.910 -1.627 1.00 4.99 H new ATOM 0 HD2 PHE A 65 4.001 -3.368 1.730 1.00 4.69 H new ATOM 0 HE1 PHE A 65 3.231 -4.429 -3.005 1.00 6.10 H new ATOM 0 HE2 PHE A 65 2.626 -1.874 0.345 1.00 5.77 H new ATOM 0 HZ PHE A 65 2.395 -2.324 -2.088 1.00 6.48 H new ATOM 1058 N GLY A 66 6.237 -3.945 3.244 1.00 1.23 N ATOM 1059 CA GLY A 66 6.107 -2.725 4.005 1.00 0.93 C ATOM 1060 C GLY A 66 6.180 -2.917 5.505 1.00 0.80 C ATOM 1061 O GLY A 66 5.955 -4.012 6.025 1.00 0.96 O ATOM 0 H GLY A 66 5.979 -4.799 3.738 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.893 -2.034 3.700 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.156 -2.255 3.756 1.00 0.93 H new ATOM 1065 N LEU A 67 6.485 -1.824 6.188 1.00 0.64 N ATOM 1066 CA LEU A 67 6.547 -1.784 7.640 1.00 0.65 C ATOM 1067 C LEU A 67 5.525 -0.783 8.171 1.00 0.51 C ATOM 1068 O LEU A 67 5.644 0.415 7.929 1.00 0.54 O ATOM 1069 CB LEU A 67 7.956 -1.380 8.103 1.00 0.76 C ATOM 1070 CG LEU A 67 8.560 -0.170 7.373 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.347 0.713 8.332 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.459 -0.637 6.238 1.00 1.14 C ATOM 0 H LEU A 67 6.699 -0.931 5.744 1.00 0.64 H new ATOM 0 HA LEU A 67 6.320 -2.776 8.029 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.922 -1.161 9.170 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.623 -2.233 7.974 1.00 0.76 H new ATOM 0 HG LEU A 67 7.741 0.420 6.962 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.763 1.561 7.788 1.00 1.17 H new ATOM 0 HD12 LEU A 67 8.685 1.076 9.119 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.157 0.135 8.777 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.881 0.229 5.728 1.00 1.14 H new ATOM 0 HD22 LEU A 67 10.266 -1.249 6.641 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.875 -1.226 5.530 1.00 1.14 H new ATOM 1084 N ILE A 68 4.513 -1.258 8.881 1.00 0.43 N ATOM 1085 CA ILE A 68 3.478 -0.364 9.374 1.00 0.38 C ATOM 1086 C ILE A 68 3.965 0.410 10.592 1.00 0.45 C ATOM 1087 O ILE A 68 4.545 -0.155 11.517 1.00 0.61 O ATOM 1088 CB ILE A 68 2.172 -1.107 9.712 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.611 -1.785 8.462 1.00 0.38 C ATOM 1090 CG2 ILE A 68 1.155 -0.138 10.291 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.347 -2.584 8.705 1.00 0.44 C ATOM 0 H ILE A 68 4.387 -2.240 9.125 1.00 0.43 H new ATOM 0 HA ILE A 68 3.260 0.335 8.567 1.00 0.38 H new ATOM 0 HB ILE A 68 2.386 -1.874 10.456 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.407 -1.023 7.709 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.372 -2.447 8.048 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.235 -0.673 10.526 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.556 0.311 11.200 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.943 0.645 9.563 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.014 -3.032 7.769 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.548 -3.370 9.433 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.432 -1.925 9.089 1.00 0.44 H new ATOM 1103 N ARG A 69 3.735 1.710 10.557 1.00 0.43 N ATOM 1104 CA ARG A 69 4.135 2.608 11.625 1.00 0.55 C ATOM 1105 C ARG A 69 2.917 2.969 12.470 1.00 0.51 C ATOM 1106 O ARG A 69 3.038 3.323 13.644 1.00 0.67 O ATOM 1107 CB ARG A 69 4.737 3.881 11.023 1.00 0.70 C ATOM 1108 CG ARG A 69 5.594 3.624 9.792 1.00 1.19 C ATOM 1109 CD ARG A 69 6.919 2.971 10.146 1.00 0.74 C ATOM 1110 NE ARG A 69 7.864 3.936 10.700 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.997 3.605 11.312 1.00 1.35 C ATOM 1112 NH1 ARG A 69 9.311 2.326 11.481 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.814 4.553 11.751 1.00 1.83 N ATOM 0 H ARG A 69 3.263 2.175 9.782 1.00 0.43 H new ATOM 0 HA ARG A 69 4.879 2.117 12.253 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.930 4.565 10.758 1.00 0.70 H new ATOM 0 HB3 ARG A 69 5.342 4.380 11.780 1.00 0.70 H new ATOM 0 HG2 ARG A 69 5.049 2.984 9.098 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.781 4.566 9.277 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.750 2.172 10.867 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.348 2.511 9.256 1.00 0.74 H new ATOM 0 HE ARG A 69 7.641 4.927 10.612 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.683 1.598 11.141 1.00 2.00 H new ATOM 0 HH12 ARG A 69 10.180 2.072 11.950 1.00 2.00 H new ATOM 0 HH21 ARG A 69 9.573 5.535 11.619 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.683 4.300 12.221 1.00 1.83 H new ATOM 1127 N LYS A 70 1.741 2.879 11.851 1.00 0.39 N ATOM 1128 CA LYS A 70 0.492 3.254 12.501 1.00 0.41 C ATOM 1129 C LYS A 70 -0.713 2.736 11.721 1.00 0.35 C ATOM 1130 O LYS A 70 -1.005 3.217 10.628 1.00 0.40 O ATOM 1131 CB LYS A 70 0.410 4.780 12.629 1.00 0.53 C ATOM 1132 CG LYS A 70 -0.977 5.311 12.968 1.00 0.62 C ATOM 1133 CD LYS A 70 -0.963 6.826 13.107 1.00 0.99 C ATOM 1134 CE LYS A 70 -2.342 7.392 13.420 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.263 7.317 12.254 1.00 1.53 N ATOM 0 H LYS A 70 1.630 2.547 10.893 1.00 0.39 H new ATOM 0 HA LYS A 70 0.476 2.802 13.493 1.00 0.41 H new ATOM 0 HB2 LYS A 70 1.108 5.105 13.400 1.00 0.53 H new ATOM 0 HB3 LYS A 70 0.738 5.229 11.692 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -1.682 5.020 12.189 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.326 4.860 13.897 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -0.269 7.109 13.898 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -0.592 7.270 12.183 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -2.775 6.845 14.257 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.243 8.431 13.735 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -4.247 7.283 12.590 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.131 8.156 11.653 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -3.056 6.460 11.703 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.393 1.743 12.271 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.671 1.308 11.722 1.00 0.36 C ATOM 1151 C VAL A 71 -3.803 1.888 12.558 1.00 0.37 C ATOM 1152 O VAL A 71 -3.932 1.579 13.742 1.00 0.47 O ATOM 1153 CB VAL A 71 -2.819 -0.237 11.659 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -2.135 -0.804 10.425 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -2.277 -0.907 12.914 1.00 0.77 C ATOM 0 H VAL A 71 -1.085 1.224 13.093 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.715 1.673 10.696 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.886 -0.452 11.596 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -2.255 -1.887 10.408 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -2.585 -0.375 9.530 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -1.074 -0.557 10.452 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -2.399 -1.987 12.831 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.219 -0.669 13.026 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -2.824 -0.546 13.785 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.610 2.747 11.958 1.00 0.33 N ATOM 1166 CA ASP A 72 -5.684 3.397 12.694 1.00 0.36 C ATOM 1167 C ASP A 72 -7.029 3.110 12.050 1.00 0.35 C ATOM 1168 O ASP A 72 -7.583 3.978 11.372 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.469 4.907 12.752 1.00 0.41 C ATOM 1170 CG ASP A 72 -5.863 5.492 14.092 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.074 5.520 14.399 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -4.972 5.929 14.847 1.00 1.42 O ATOM 0 H ASP A 72 -4.545 3.009 10.974 1.00 0.33 H new ATOM 0 HA ASP A 72 -5.676 2.995 13.707 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.421 5.130 12.555 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.051 5.385 11.964 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.510 1.872 12.241 1.00 0.38 N ATOM 1178 CA GLU A 73 -8.829 1.416 11.762 1.00 0.39 C ATOM 1179 C GLU A 73 -9.076 1.810 10.290 1.00 0.38 C ATOM 1180 O GLU A 73 -8.144 2.199 9.582 1.00 0.56 O ATOM 1181 CB GLU A 73 -9.937 1.951 12.697 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.196 3.449 12.601 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.275 3.910 13.555 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.010 3.987 14.773 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.393 4.212 13.091 1.00 0.92 O ATOM 0 H GLU A 73 -6.990 1.149 12.738 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.849 0.327 11.791 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -10.864 1.423 12.475 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.671 1.709 13.726 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.273 3.989 12.813 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.485 3.700 11.581 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.308 1.634 9.761 1.00 0.33 N ATOM 1193 CA PRO A 74 -10.684 2.249 8.488 1.00 0.32 C ATOM 1194 C PRO A 74 -10.690 3.770 8.594 1.00 0.31 C ATOM 1195 O PRO A 74 -11.746 4.385 8.761 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.099 1.719 8.216 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.235 0.515 9.082 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.389 0.780 10.293 1.00 0.38 C ATOM 0 HA PRO A 74 -9.984 2.006 7.689 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -12.854 2.467 8.459 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.229 1.465 7.164 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.276 0.351 9.361 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -11.900 -0.381 8.560 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -11.953 1.285 11.077 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.000 -0.143 10.724 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.499 4.357 8.548 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.333 5.802 8.663 1.00 0.31 C ATOM 1208 C ASP A 75 -7.966 6.235 8.139 1.00 0.30 C ATOM 1209 O ASP A 75 -7.872 6.901 7.106 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.500 6.242 10.121 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.194 7.712 10.334 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.116 8.028 10.878 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.022 8.559 9.931 1.00 0.50 O ATOM 0 H ASP A 75 -8.624 3.847 8.430 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.102 6.282 8.058 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.522 6.039 10.441 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.843 5.644 10.753 1.00 0.34 H new ATOM 1218 N THR A 76 -6.906 5.840 8.837 1.00 0.28 N ATOM 1219 CA THR A 76 -5.556 6.243 8.462 1.00 0.29 C ATOM 1220 C THR A 76 -4.550 5.117 8.672 1.00 0.29 C ATOM 1221 O THR A 76 -4.639 4.356 9.638 1.00 0.35 O ATOM 1222 CB THR A 76 -5.101 7.473 9.270 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.568 7.377 10.622 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.600 8.760 8.635 1.00 0.35 C ATOM 0 H THR A 76 -6.956 5.243 9.663 1.00 0.28 H new ATOM 0 HA THR A 76 -5.590 6.493 7.402 1.00 0.29 H new ATOM 0 HB THR A 76 -4.011 7.494 9.269 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.490 7.705 10.674 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.264 9.612 9.226 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.205 8.843 7.622 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.689 8.750 8.600 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.596 5.005 7.758 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.516 4.037 7.901 1.00 0.31 C ATOM 1234 C LEU A 77 -1.188 4.690 7.552 1.00 0.33 C ATOM 1235 O LEU A 77 -1.045 5.291 6.490 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.704 2.807 6.994 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.096 2.178 6.965 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -4.979 2.898 5.961 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -3.998 0.701 6.627 1.00 0.69 C ATOM 0 H LEU A 77 -3.547 5.571 6.911 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.528 3.703 8.939 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.439 3.092 5.976 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -1.992 2.043 7.306 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.546 2.277 7.953 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -5.968 2.439 5.951 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.069 3.947 6.242 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.535 2.825 4.968 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -4.997 0.265 6.610 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.533 0.582 5.649 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.394 0.195 7.380 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.232 4.585 8.455 1.00 0.32 N ATOM 1252 CA VAL A 78 1.125 5.020 8.186 1.00 0.36 C ATOM 1253 C VAL A 78 1.984 3.795 7.922 1.00 0.34 C ATOM 1254 O VAL A 78 2.233 3.000 8.825 1.00 0.36 O ATOM 1255 CB VAL A 78 1.719 5.825 9.360 1.00 0.43 C ATOM 1256 CG1 VAL A 78 3.075 6.401 8.985 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.765 6.925 9.795 1.00 0.67 C ATOM 0 H VAL A 78 -0.372 4.199 9.389 1.00 0.32 H new ATOM 0 HA VAL A 78 1.108 5.677 7.317 1.00 0.36 H new ATOM 0 HB VAL A 78 1.860 5.147 10.202 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.476 6.965 9.827 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.758 5.590 8.733 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.964 7.062 8.125 1.00 0.52 H new ATOM 0 HG21 VAL A 78 1.204 7.480 10.624 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.585 7.602 8.960 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.179 6.483 10.114 1.00 0.67 H new ATOM 1267 N ILE A 79 2.399 3.628 6.682 1.00 0.35 N ATOM 1268 CA ILE A 79 3.126 2.438 6.269 1.00 0.39 C ATOM 1269 C ILE A 79 4.432 2.830 5.572 1.00 0.40 C ATOM 1270 O ILE A 79 4.434 3.645 4.656 1.00 0.43 O ATOM 1271 CB ILE A 79 2.220 1.538 5.368 1.00 0.48 C ATOM 1272 CG1 ILE A 79 2.983 0.903 4.205 1.00 0.75 C ATOM 1273 CG2 ILE A 79 1.029 2.326 4.841 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.883 -0.236 4.596 1.00 0.67 C ATOM 0 H ILE A 79 2.245 4.306 5.936 1.00 0.35 H new ATOM 0 HA ILE A 79 3.393 1.852 7.148 1.00 0.39 H new ATOM 0 HB ILE A 79 1.865 0.726 6.003 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.264 0.545 3.468 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.582 1.672 3.718 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.413 1.679 4.216 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.436 2.694 5.679 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.384 3.170 4.250 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.383 -0.625 3.709 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.629 0.117 5.308 1.00 0.67 H new ATOM 0 HD13 ILE A 79 3.290 -1.027 5.055 1.00 0.67 H new ATOM 1286 N GLY A 80 5.540 2.268 6.047 1.00 0.42 N ATOM 1287 CA GLY A 80 6.848 2.574 5.497 1.00 0.46 C ATOM 1288 C GLY A 80 7.243 1.622 4.388 1.00 0.46 C ATOM 1289 O GLY A 80 6.783 0.480 4.345 1.00 0.50 O ATOM 0 H GLY A 80 5.553 1.596 6.815 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.849 3.594 5.114 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.593 2.531 6.292 1.00 0.46 H new ATOM 1293 N TRP A 81 8.125 2.075 3.516 1.00 0.50 N ATOM 1294 CA TRP A 81 8.456 1.346 2.304 1.00 0.51 C ATOM 1295 C TRP A 81 9.474 0.240 2.561 1.00 0.53 C ATOM 1296 O TRP A 81 10.440 0.429 3.303 1.00 0.81 O ATOM 1297 CB TRP A 81 8.999 2.328 1.276 1.00 0.74 C ATOM 1298 CG TRP A 81 9.192 1.749 -0.083 1.00 0.80 C ATOM 1299 CD1 TRP A 81 10.366 1.632 -0.769 1.00 0.74 C ATOM 1300 CD2 TRP A 81 8.174 1.215 -0.928 1.00 1.40 C ATOM 1301 NE1 TRP A 81 10.136 1.067 -1.997 1.00 0.88 N ATOM 1302 CE2 TRP A 81 8.799 0.803 -2.119 1.00 1.44 C ATOM 1303 CE3 TRP A 81 6.793 1.049 -0.794 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 8.092 0.238 -3.169 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 6.093 0.486 -1.840 1.00 2.78 C ATOM 1306 CH2 TRP A 81 6.746 0.090 -3.013 1.00 2.79 C ATOM 0 H TRP A 81 8.630 2.954 3.626 1.00 0.50 H new ATOM 0 HA TRP A 81 7.551 0.866 1.932 1.00 0.51 H new ATOM 0 HB2 TRP A 81 8.316 3.175 1.204 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.953 2.717 1.631 1.00 0.74 H new ATOM 0 HD1 TRP A 81 11.333 1.939 -0.399 1.00 0.74 H new ATOM 0 HE1 TRP A 81 10.846 0.875 -2.704 1.00 0.88 H new ATOM 0 HE3 TRP A 81 6.285 1.355 0.109 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 8.589 -0.073 -4.076 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 5.025 0.349 -1.753 1.00 2.78 H new ATOM 0 HH2 TRP A 81 6.168 -0.344 -3.816 1.00 2.79 H new ATOM 1317 N ARG A 82 9.248 -0.911 1.939 1.00 0.54 N ATOM 1318 CA ARG A 82 10.183 -2.027 2.028 1.00 0.74 C ATOM 1319 C ARG A 82 10.150 -2.845 0.728 1.00 0.81 C ATOM 1320 O ARG A 82 10.505 -4.027 0.711 1.00 1.47 O ATOM 1321 CB ARG A 82 9.847 -2.894 3.249 1.00 1.06 C ATOM 1322 CG ARG A 82 11.033 -3.673 3.801 1.00 1.64 C ATOM 1323 CD ARG A 82 10.737 -4.217 5.189 1.00 2.68 C ATOM 1324 NE ARG A 82 11.942 -4.686 5.874 1.00 3.63 N ATOM 1325 CZ ARG A 82 12.426 -5.922 5.781 1.00 4.53 C ATOM 1326 NH1 ARG A 82 11.872 -6.795 4.947 1.00 4.80 N ATOM 1327 NH2 ARG A 82 13.483 -6.273 6.504 1.00 5.46 N ATOM 0 H ARG A 82 8.424 -1.096 1.367 1.00 0.54 H new ATOM 0 HA ARG A 82 11.196 -1.645 2.156 1.00 0.74 H new ATOM 0 HB2 ARG A 82 9.447 -2.255 4.036 1.00 1.06 H new ATOM 0 HB3 ARG A 82 9.059 -3.596 2.977 1.00 1.06 H new ATOM 0 HG2 ARG A 82 11.275 -4.496 3.129 1.00 1.64 H new ATOM 0 HG3 ARG A 82 11.909 -3.026 3.841 1.00 1.64 H new ATOM 0 HD2 ARG A 82 10.262 -3.439 5.787 1.00 2.68 H new ATOM 0 HD3 ARG A 82 10.025 -5.038 5.110 1.00 2.68 H new ATOM 0 HE ARG A 82 12.444 -4.021 6.462 1.00 3.63 H new ATOM 0 HH11 ARG A 82 11.073 -6.519 4.376 1.00 4.80 H new ATOM 0 HH12 ARG A 82 12.245 -7.742 4.878 1.00 4.80 H new ATOM 0 HH21 ARG A 82 13.921 -5.596 7.128 1.00 5.46 H new ATOM 0 HH22 ARG A 82 13.856 -7.220 6.435 1.00 5.46 H new ATOM 1341 N LEU A 83 9.713 -2.180 -0.351 1.00 0.79 N ATOM 1342 CA LEU A 83 9.758 -2.716 -1.723 1.00 0.86 C ATOM 1343 C LEU A 83 8.632 -3.720 -2.010 1.00 0.81 C ATOM 1344 O LEU A 83 8.234 -4.491 -1.148 1.00 1.21 O ATOM 1345 CB LEU A 83 11.129 -3.349 -2.017 1.00 1.23 C ATOM 1346 CG LEU A 83 11.778 -2.942 -3.347 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.011 -3.501 -4.532 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.874 -1.428 -3.439 1.00 1.28 C ATOM 0 H LEU A 83 9.313 -1.243 -0.297 1.00 0.79 H new ATOM 0 HA LEU A 83 9.604 -1.869 -2.391 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.810 -3.089 -1.207 1.00 1.23 H new ATOM 0 HB3 LEU A 83 11.018 -4.433 -2.005 1.00 1.23 H new ATOM 0 HG LEU A 83 12.783 -3.363 -3.377 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.497 -3.194 -5.458 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.995 -4.589 -4.474 1.00 1.55 H new ATOM 0 HD13 LEU A 83 9.989 -3.122 -4.516 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.336 -1.150 -4.386 1.00 1.28 H new ATOM 0 HD22 LEU A 83 10.875 -0.996 -3.382 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.480 -1.051 -2.615 1.00 1.28 H new ATOM 1360 N ASN A 84 8.150 -3.703 -3.256 1.00 0.76 N ATOM 1361 CA ASN A 84 7.096 -4.613 -3.730 1.00 1.00 C ATOM 1362 C ASN A 84 7.652 -6.001 -4.025 1.00 1.25 C ATOM 1363 O ASN A 84 7.386 -6.569 -5.088 1.00 1.93 O ATOM 1364 CB ASN A 84 6.456 -4.069 -5.016 1.00 1.26 C ATOM 1365 CG ASN A 84 5.411 -2.996 -4.781 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.422 -2.311 -3.769 1.00 1.81 O ATOM 1367 ND2 ASN A 84 4.506 -2.834 -5.737 1.00 0.94 N ATOM 0 H ASN A 84 8.480 -3.055 -3.971 1.00 0.76 H new ATOM 0 HA ASN A 84 6.352 -4.683 -2.937 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.240 -3.664 -5.656 1.00 1.26 H new ATOM 0 HB3 ASN A 84 5.997 -4.896 -5.559 1.00 1.26 H new ATOM 0 HD21 ASN A 84 3.786 -2.118 -5.642 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.530 -3.426 -6.567 1.00 0.94 H new ATOM 1374 N GLY A 85 8.419 -6.535 -3.084 1.00 1.69 N ATOM 1375 CA GLY A 85 8.999 -7.860 -3.230 1.00 2.21 C ATOM 1376 C GLY A 85 9.723 -8.074 -4.550 1.00 1.96 C ATOM 1377 O GLY A 85 9.522 -9.085 -5.221 1.00 2.40 O ATOM 0 H GLY A 85 8.654 -6.067 -2.208 1.00 1.69 H new ATOM 0 HA2 GLY A 85 9.698 -8.032 -2.412 1.00 2.21 H new ATOM 0 HA3 GLY A 85 8.208 -8.604 -3.136 1.00 2.21 H new ATOM 1381 N PHE A 86 10.560 -7.125 -4.939 1.00 1.79 N ATOM 1382 CA PHE A 86 11.329 -7.270 -6.172 1.00 2.29 C ATOM 1383 C PHE A 86 12.798 -7.554 -5.876 1.00 2.14 C ATOM 1384 O PHE A 86 13.606 -7.683 -6.792 1.00 2.77 O ATOM 1385 CB PHE A 86 11.210 -6.018 -7.047 1.00 3.16 C ATOM 1386 CG PHE A 86 9.850 -5.818 -7.654 1.00 3.79 C ATOM 1387 CD1 PHE A 86 9.184 -4.611 -7.515 1.00 4.45 C ATOM 1388 CD2 PHE A 86 9.242 -6.837 -8.370 1.00 4.03 C ATOM 1389 CE1 PHE A 86 7.936 -4.424 -8.077 1.00 5.26 C ATOM 1390 CE2 PHE A 86 7.993 -6.657 -8.934 1.00 4.80 C ATOM 1391 CZ PHE A 86 7.340 -5.449 -8.788 1.00 5.38 C ATOM 0 H PHE A 86 10.725 -6.257 -4.430 1.00 1.79 H new ATOM 0 HA PHE A 86 10.912 -8.118 -6.715 1.00 2.29 H new ATOM 0 HB2 PHE A 86 11.460 -5.143 -6.446 1.00 3.16 H new ATOM 0 HB3 PHE A 86 11.948 -6.076 -7.847 1.00 3.16 H new ATOM 0 HD1 PHE A 86 9.646 -3.807 -6.961 1.00 4.45 H new ATOM 0 HD2 PHE A 86 9.750 -7.783 -8.489 1.00 4.03 H new ATOM 0 HE1 PHE A 86 7.427 -3.479 -7.961 1.00 5.26 H new ATOM 0 HE2 PHE A 86 7.529 -7.460 -9.488 1.00 4.80 H new ATOM 0 HZ PHE A 86 6.365 -5.305 -9.229 1.00 5.38 H new ATOM 1401 N GLY A 87 13.138 -7.661 -4.599 1.00 1.90 N ATOM 1402 CA GLY A 87 14.529 -7.848 -4.218 1.00 2.08 C ATOM 1403 C GLY A 87 15.348 -6.593 -4.459 1.00 1.87 C ATOM 1404 O GLY A 87 16.565 -6.646 -4.642 1.00 2.30 O ATOM 0 H GLY A 87 12.480 -7.622 -3.820 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.585 -8.123 -3.165 1.00 2.08 H new ATOM 0 HA3 GLY A 87 14.954 -8.675 -4.786 1.00 2.08 H new ATOM 1408 N ARG A 88 14.664 -5.461 -4.463 1.00 1.33 N ATOM 1409 CA ARG A 88 15.291 -4.174 -4.713 1.00 1.18 C ATOM 1410 C ARG A 88 15.566 -3.450 -3.407 1.00 1.09 C ATOM 1411 O ARG A 88 15.375 -4.018 -2.333 1.00 1.21 O ATOM 1412 CB ARG A 88 14.410 -3.322 -5.621 1.00 0.98 C ATOM 1413 CG ARG A 88 14.394 -3.796 -7.059 1.00 1.64 C ATOM 1414 CD ARG A 88 13.564 -2.875 -7.930 1.00 2.32 C ATOM 1415 NE ARG A 88 13.815 -3.111 -9.349 1.00 3.00 N ATOM 1416 CZ ARG A 88 12.877 -3.425 -10.244 1.00 3.96 C ATOM 1417 NH1 ARG A 88 11.601 -3.501 -9.891 1.00 4.44 N ATOM 1418 NH2 ARG A 88 13.222 -3.652 -11.500 1.00 4.77 N ATOM 0 H ARG A 88 13.660 -5.408 -4.293 1.00 1.33 H new ATOM 0 HA ARG A 88 16.243 -4.346 -5.215 1.00 1.18 H new ATOM 0 HB2 ARG A 88 13.391 -3.325 -5.234 1.00 0.98 H new ATOM 0 HB3 ARG A 88 14.760 -2.290 -5.590 1.00 0.98 H new ATOM 0 HG2 ARG A 88 15.414 -3.841 -7.441 1.00 1.64 H new ATOM 0 HG3 ARG A 88 13.991 -4.807 -7.107 1.00 1.64 H new ATOM 0 HD2 ARG A 88 12.506 -3.026 -7.716 1.00 2.32 H new ATOM 0 HD3 ARG A 88 13.793 -1.838 -7.686 1.00 2.32 H new ATOM 0 HE ARG A 88 14.777 -3.030 -9.680 1.00 3.00 H new ATOM 0 HH11 ARG A 88 11.327 -3.318 -8.926 1.00 4.44 H new ATOM 0 HH12 ARG A 88 10.893 -3.742 -10.585 1.00 4.44 H new ATOM 0 HH21 ARG A 88 14.201 -3.587 -11.780 1.00 4.77 H new ATOM 0 HH22 ARG A 88 12.509 -3.893 -12.189 1.00 4.77 H new ATOM 1432 N ILE A 89 16.031 -2.210 -3.516 1.00 1.08 N ATOM 1433 CA ILE A 89 16.416 -1.415 -2.354 1.00 1.08 C ATOM 1434 C ILE A 89 15.276 -1.324 -1.342 1.00 1.04 C ATOM 1435 O ILE A 89 14.107 -1.350 -1.706 1.00 1.15 O ATOM 1436 CB ILE A 89 16.851 0.014 -2.776 1.00 1.29 C ATOM 1437 CG1 ILE A 89 15.643 0.873 -3.175 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.840 -0.052 -3.933 1.00 1.11 C ATOM 1439 CD1 ILE A 89 15.056 1.691 -2.038 1.00 1.70 C ATOM 0 H ILE A 89 16.151 -1.729 -4.407 1.00 1.08 H new ATOM 0 HA ILE A 89 17.261 -1.919 -1.885 1.00 1.08 H new ATOM 0 HB ILE A 89 17.332 0.479 -1.916 1.00 1.29 H new ATOM 0 HG12 ILE A 89 15.941 1.548 -3.977 1.00 1.86 H new ATOM 0 HG13 ILE A 89 14.867 0.223 -3.578 1.00 1.86 H new ATOM 0 HG21 ILE A 89 18.135 0.958 -4.217 1.00 1.11 H new ATOM 0 HG22 ILE A 89 18.721 -0.615 -3.626 1.00 1.11 H new ATOM 0 HG23 ILE A 89 17.372 -0.546 -4.784 1.00 1.11 H new ATOM 0 HD11 ILE A 89 14.207 2.268 -2.405 1.00 1.70 H new ATOM 0 HD12 ILE A 89 14.724 1.023 -1.243 1.00 1.70 H new ATOM 0 HD13 ILE A 89 15.815 2.369 -1.648 1.00 1.70 H new ATOM 1451 N ASP A 90 15.616 -1.214 -0.079 1.00 1.05 N ATOM 1452 CA ASP A 90 14.615 -1.029 0.957 1.00 1.15 C ATOM 1453 C ASP A 90 15.175 -0.153 2.073 1.00 1.01 C ATOM 1454 O ASP A 90 16.328 -0.306 2.478 1.00 1.14 O ATOM 1455 CB ASP A 90 14.150 -2.380 1.515 1.00 1.54 C ATOM 1456 CG ASP A 90 15.165 -3.023 2.446 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.981 -2.954 3.680 1.00 2.64 O ATOM 1458 OD2 ASP A 90 16.157 -3.596 1.948 1.00 3.18 O ATOM 0 H ASP A 90 16.577 -1.249 0.261 1.00 1.05 H new ATOM 0 HA ASP A 90 13.750 -0.531 0.518 1.00 1.15 H new ATOM 0 HB2 ASP A 90 13.211 -2.241 2.051 1.00 1.54 H new ATOM 0 HB3 ASP A 90 13.946 -3.058 0.686 1.00 1.54 H new ATOM 1463 N PRO A 91 14.383 0.821 2.540 1.00 1.32 N ATOM 1464 CA PRO A 91 14.761 1.663 3.670 1.00 1.52 C ATOM 1465 C PRO A 91 14.601 0.932 4.995 1.00 1.24 C ATOM 1466 O PRO A 91 15.402 1.115 5.916 1.00 1.58 O ATOM 1467 CB PRO A 91 13.785 2.847 3.603 1.00 2.16 C ATOM 1468 CG PRO A 91 12.986 2.655 2.351 1.00 2.36 C ATOM 1469 CD PRO A 91 13.084 1.202 1.991 1.00 1.92 C ATOM 0 HA PRO A 91 15.807 1.963 3.615 1.00 1.52 H new ATOM 0 HB2 PRO A 91 13.137 2.868 4.479 1.00 2.16 H new ATOM 0 HB3 PRO A 91 14.323 3.795 3.581 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.947 2.945 2.508 1.00 2.36 H new ATOM 0 HG3 PRO A 91 13.373 3.279 1.546 1.00 2.36 H new ATOM 0 HD2 PRO A 91 12.273 0.621 2.430 1.00 1.92 H new ATOM 0 HD3 PRO A 91 13.039 1.048 0.913 1.00 1.92 H new ATOM 1477 N ASP A 92 13.535 0.126 5.081 1.00 1.06 N ATOM 1478 CA ASP A 92 13.237 -0.698 6.261 1.00 1.34 C ATOM 1479 C ASP A 92 12.802 0.156 7.460 1.00 1.18 C ATOM 1480 O ASP A 92 12.367 -0.369 8.485 1.00 1.61 O ATOM 1481 CB ASP A 92 14.445 -1.575 6.627 1.00 1.93 C ATOM 1482 CG ASP A 92 14.201 -2.470 7.827 1.00 2.60 C ATOM 1483 OD1 ASP A 92 13.292 -3.327 7.758 1.00 2.98 O ATOM 1484 OD2 ASP A 92 14.913 -2.323 8.846 1.00 2.99 O ATOM 0 H ASP A 92 12.851 0.026 4.331 1.00 1.06 H new ATOM 0 HA ASP A 92 12.400 -1.347 6.004 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.708 -2.194 5.769 1.00 1.93 H new ATOM 0 HB3 ASP A 92 15.302 -0.933 6.831 1.00 1.93 H new ATOM 1489 N ASN A 93 12.885 1.476 7.319 1.00 1.06 N ATOM 1490 CA ASN A 93 12.552 2.382 8.412 1.00 1.26 C ATOM 1491 C ASN A 93 11.749 3.569 7.910 1.00 1.04 C ATOM 1492 O ASN A 93 10.588 3.744 8.272 1.00 1.49 O ATOM 1493 CB ASN A 93 13.821 2.884 9.104 1.00 1.65 C ATOM 1494 CG ASN A 93 14.554 1.785 9.838 1.00 2.22 C ATOM 1495 OD1 ASN A 93 14.309 1.543 11.020 1.00 3.06 O ATOM 1496 ND2 ASN A 93 15.445 1.100 9.140 1.00 2.21 N ATOM 0 H ASN A 93 13.179 1.941 6.460 1.00 1.06 H new ATOM 0 HA ASN A 93 11.949 1.825 9.128 1.00 1.26 H new ATOM 0 HB2 ASN A 93 14.485 3.326 8.361 1.00 1.65 H new ATOM 0 HB3 ASN A 93 13.559 3.674 9.808 1.00 1.65 H new ATOM 0 HD21 ASN A 93 15.960 0.337 9.580 1.00 2.21 H new ATOM 0 HD22 ASN A 93 15.617 1.335 8.162 1.00 2.21 H new ATOM 1503 N SER A 94 12.370 4.381 7.074 1.00 0.68 N ATOM 1504 CA SER A 94 11.714 5.562 6.548 1.00 0.77 C ATOM 1505 C SER A 94 10.967 5.251 5.253 1.00 0.72 C ATOM 1506 O SER A 94 10.681 4.089 4.954 1.00 1.22 O ATOM 1507 CB SER A 94 12.743 6.660 6.311 1.00 1.19 C ATOM 1508 OG SER A 94 13.484 6.932 7.487 1.00 1.85 O ATOM 0 H SER A 94 13.326 4.244 6.746 1.00 0.68 H new ATOM 0 HA SER A 94 10.983 5.902 7.281 1.00 0.77 H new ATOM 0 HB2 SER A 94 13.421 6.360 5.512 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.240 7.567 5.977 1.00 1.19 H new ATOM 0 HG SER A 94 14.138 7.639 7.305 1.00 1.85 H new ATOM 1514 N SER A 95 10.660 6.307 4.492 1.00 0.60 N ATOM 1515 CA SER A 95 9.880 6.194 3.264 1.00 0.67 C ATOM 1516 C SER A 95 8.459 5.784 3.627 1.00 0.70 C ATOM 1517 O SER A 95 7.820 4.980 2.953 1.00 1.27 O ATOM 1518 CB SER A 95 10.531 5.200 2.289 1.00 0.93 C ATOM 1519 OG SER A 95 10.115 5.427 0.952 1.00 1.44 O ATOM 0 H SER A 95 10.947 7.261 4.713 1.00 0.60 H new ATOM 0 HA SER A 95 9.851 7.156 2.753 1.00 0.67 H new ATOM 0 HB2 SER A 95 11.616 5.286 2.352 1.00 0.93 H new ATOM 0 HB3 SER A 95 10.274 4.182 2.582 1.00 0.93 H new ATOM 0 HG SER A 95 10.118 6.389 0.767 1.00 1.44 H new ATOM 1525 N GLU A 96 7.981 6.374 4.708 1.00 0.48 N ATOM 1526 CA GLU A 96 6.659 6.102 5.233 1.00 0.45 C ATOM 1527 C GLU A 96 5.620 6.894 4.460 1.00 0.45 C ATOM 1528 O GLU A 96 5.828 8.068 4.155 1.00 0.60 O ATOM 1529 CB GLU A 96 6.604 6.502 6.707 1.00 0.56 C ATOM 1530 CG GLU A 96 7.727 5.910 7.540 1.00 1.11 C ATOM 1531 CD GLU A 96 7.963 6.677 8.824 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.825 7.579 8.828 1.00 1.81 O ATOM 1533 OE2 GLU A 96 7.291 6.391 9.834 1.00 1.33 O ATOM 0 H GLU A 96 8.506 7.061 5.249 1.00 0.48 H new ATOM 0 HA GLU A 96 6.448 5.037 5.131 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.642 7.589 6.782 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.648 6.187 7.125 1.00 0.56 H new ATOM 0 HG2 GLU A 96 7.490 4.873 7.778 1.00 1.11 H new ATOM 0 HG3 GLU A 96 8.645 5.901 6.952 1.00 1.11 H new ATOM 1540 N PHE A 97 4.516 6.256 4.130 1.00 0.39 N ATOM 1541 CA PHE A 97 3.410 6.951 3.505 1.00 0.40 C ATOM 1542 C PHE A 97 2.162 6.840 4.357 1.00 0.41 C ATOM 1543 O PHE A 97 1.693 5.747 4.669 1.00 0.53 O ATOM 1544 CB PHE A 97 3.152 6.462 2.072 1.00 0.51 C ATOM 1545 CG PHE A 97 3.412 5.001 1.839 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.702 4.514 1.688 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.352 4.110 1.794 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.923 3.162 1.499 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.565 2.764 1.599 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.931 2.315 1.361 1.00 0.63 C ATOM 0 H PHE A 97 4.361 5.260 4.284 1.00 0.39 H new ATOM 0 HA PHE A 97 3.685 8.003 3.431 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.115 6.676 1.813 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.776 7.039 1.390 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.539 5.195 1.718 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.343 4.477 1.914 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.938 2.794 1.464 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.745 2.062 1.622 1.00 0.64 H new ATOM 0 HZ PHE A 97 4.125 1.292 1.073 1.00 0.63 H new ATOM 1560 N THR A 98 1.656 7.990 4.756 1.00 0.35 N ATOM 1561 CA THR A 98 0.454 8.064 5.555 1.00 0.36 C ATOM 1562 C THR A 98 -0.757 8.240 4.659 1.00 0.33 C ATOM 1563 O THR A 98 -0.876 9.247 3.964 1.00 0.36 O ATOM 1564 CB THR A 98 0.527 9.245 6.539 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.721 9.146 7.326 1.00 0.43 O ATOM 1566 CG2 THR A 98 -0.691 9.268 7.450 1.00 0.40 C ATOM 0 H THR A 98 2.067 8.897 4.535 1.00 0.35 H new ATOM 0 HA THR A 98 0.364 7.135 6.118 1.00 0.36 H new ATOM 0 HB THR A 98 0.544 10.172 5.965 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.765 9.900 7.950 1.00 0.43 H new ATOM 0 HG21 THR A 98 -0.616 10.112 8.136 1.00 0.40 H new ATOM 0 HG22 THR A 98 -1.594 9.369 6.848 1.00 0.40 H new ATOM 0 HG23 THR A 98 -0.737 8.340 8.020 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.638 7.257 4.649 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.842 7.360 3.855 1.00 0.35 C ATOM 1576 C VAL A 99 -3.977 7.890 4.721 1.00 0.31 C ATOM 1577 O VAL A 99 -4.261 7.363 5.801 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.236 6.013 3.167 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -2.151 4.960 3.327 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -4.568 5.479 3.657 1.00 0.87 C ATOM 0 H VAL A 99 -1.542 6.389 5.176 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.645 8.061 3.044 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.343 6.237 2.106 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -2.463 4.039 2.835 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -1.227 5.318 2.874 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -1.985 4.767 4.387 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -4.794 4.542 3.147 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -4.517 5.304 4.732 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -5.352 6.206 3.444 1.00 0.87 H new ATOM 1590 N THR A 100 -4.564 8.980 4.274 1.00 0.31 N ATOM 1591 CA THR A 100 -5.728 9.540 4.920 1.00 0.30 C ATOM 1592 C THR A 100 -6.969 9.239 4.096 1.00 0.26 C ATOM 1593 O THR A 100 -7.156 9.798 3.014 1.00 0.28 O ATOM 1594 CB THR A 100 -5.586 11.065 5.109 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.402 11.356 5.869 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.804 11.641 5.817 1.00 0.36 C ATOM 0 H THR A 100 -4.248 9.500 3.455 1.00 0.31 H new ATOM 0 HA THR A 100 -5.820 9.083 5.905 1.00 0.30 H new ATOM 0 HB THR A 100 -5.509 11.525 4.124 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.317 12.326 5.984 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.679 12.717 5.938 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.697 11.444 5.224 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.909 11.175 6.797 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.786 8.321 4.585 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.039 7.995 3.931 1.00 0.24 C ATOM 1606 C PHE A 101 -10.114 8.998 4.338 1.00 0.25 C ATOM 1607 O PHE A 101 -10.558 9.011 5.489 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.495 6.581 4.296 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.750 5.466 3.619 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.765 5.340 2.240 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.017 4.555 4.361 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.061 4.329 1.615 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.316 3.538 3.740 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.409 3.376 2.369 1.00 0.29 C ATOM 0 H PHE A 101 -7.602 7.788 5.435 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.882 8.042 2.853 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.401 6.455 5.375 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.554 6.486 4.055 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.334 6.040 1.646 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -7.993 4.640 5.437 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.021 4.285 0.537 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.698 2.872 4.323 1.00 0.31 H new ATOM 0 HZ PHE A 101 -6.974 2.510 1.893 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.526 9.837 3.403 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.544 10.837 3.681 1.00 0.31 C ATOM 1626 C VAL A 102 -12.934 10.263 3.442 1.00 0.30 C ATOM 1627 O VAL A 102 -13.327 10.016 2.298 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.353 12.108 2.821 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.426 13.143 3.137 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.964 12.693 3.036 1.00 0.54 C ATOM 0 H VAL A 102 -10.172 9.846 2.446 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.441 11.119 4.729 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.451 11.828 1.772 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.271 14.028 2.520 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.410 12.723 2.928 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.366 13.420 4.190 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.847 13.587 2.423 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.838 12.954 4.087 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.211 11.957 2.752 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.655 10.020 4.531 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.009 9.491 4.457 1.00 0.35 C ATOM 1642 C ALA A 103 -15.936 10.465 3.736 1.00 0.39 C ATOM 1643 O ALA A 103 -15.981 11.650 4.073 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.533 9.203 5.853 1.00 0.44 C ATOM 0 H ALA A 103 -13.320 10.183 5.481 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.983 8.562 3.888 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.547 8.808 5.787 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.889 8.471 6.339 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.540 10.124 6.436 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.669 9.964 2.749 1.00 0.48 N ATOM 1651 CA ASP A 104 -17.548 10.802 1.944 1.00 0.57 C ATOM 1652 C ASP A 104 -18.953 10.213 1.900 1.00 0.64 C ATOM 1653 O ASP A 104 -19.223 9.288 1.129 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.018 10.908 0.513 1.00 0.58 C ATOM 1655 CG ASP A 104 -17.421 12.193 -0.185 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -16.579 12.765 -0.911 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -18.577 12.636 -0.018 1.00 2.03 O ATOM 0 H ASP A 104 -16.672 8.978 2.487 1.00 0.48 H new ATOM 0 HA ASP A 104 -17.579 11.791 2.401 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -15.930 10.838 0.530 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.383 10.059 -0.065 1.00 0.58 H new ATOM 1662 N GLY A 105 -19.830 10.716 2.753 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.226 10.316 2.711 1.00 0.83 C ATOM 1664 C GLY A 105 -21.464 8.862 3.089 1.00 1.06 C ATOM 1665 O GLY A 105 -22.501 8.296 2.741 1.00 1.97 O ATOM 0 H GLY A 105 -19.602 11.397 3.478 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -21.797 10.954 3.386 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -21.613 10.488 1.706 1.00 0.83 H new ATOM 1669 N GLN A 106 -20.494 8.258 3.778 1.00 1.24 N ATOM 1670 CA GLN A 106 -20.612 6.885 4.292 1.00 2.07 C ATOM 1671 C GLN A 106 -20.673 5.833 3.176 1.00 1.73 C ATOM 1672 O GLN A 106 -20.889 4.653 3.454 1.00 2.51 O ATOM 1673 CB GLN A 106 -21.839 6.747 5.201 1.00 2.98 C ATOM 1674 CG GLN A 106 -21.724 7.516 6.508 1.00 3.83 C ATOM 1675 CD GLN A 106 -23.010 7.491 7.314 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -23.862 8.366 7.166 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -23.164 6.494 8.171 1.00 4.93 N ATOM 0 H GLN A 106 -19.603 8.704 3.997 1.00 1.24 H new ATOM 0 HA GLN A 106 -19.706 6.697 4.869 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.720 7.095 4.662 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -21.998 5.692 5.424 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -20.917 7.092 7.105 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -21.453 8.550 6.294 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -22.436 5.786 8.266 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -24.011 6.433 8.736 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.479 6.248 1.925 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.465 5.302 0.803 1.00 0.48 C ATOM 1688 C LYS A 107 -19.326 5.600 -0.159 1.00 0.38 C ATOM 1689 O LYS A 107 -19.154 4.914 -1.165 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.773 5.339 0.022 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.998 4.946 0.830 1.00 1.55 C ATOM 1692 CD LYS A 107 -24.269 5.195 0.040 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.490 6.680 -0.200 1.00 2.95 C ATOM 1694 NZ LYS A 107 -25.528 6.926 -1.233 1.00 3.53 N ATOM 0 H LYS A 107 -20.330 7.222 1.661 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.329 4.312 1.239 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.919 6.345 -0.371 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.689 4.671 -0.836 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.936 3.893 1.104 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.024 5.516 1.759 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -24.213 4.675 -0.916 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -25.121 4.781 0.579 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.786 7.158 0.733 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.552 7.141 -0.511 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.649 7.950 -1.367 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -25.234 6.492 -2.131 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -26.430 6.509 -0.926 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.559 6.624 0.139 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.443 7.006 -0.703 1.00 0.29 C ATOM 1710 C LYS A 108 -16.256 7.370 0.174 1.00 0.27 C ATOM 1711 O LYS A 108 -16.427 7.673 1.354 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.830 8.199 -1.585 1.00 0.33 C ATOM 1713 CG LYS A 108 -16.721 8.681 -2.504 1.00 0.50 C ATOM 1714 CD LYS A 108 -16.966 10.112 -2.940 1.00 1.09 C ATOM 1715 CE LYS A 108 -15.687 10.781 -3.405 1.00 1.62 C ATOM 1716 NZ LYS A 108 -15.842 12.257 -3.474 1.00 2.44 N ATOM 0 H LYS A 108 -18.687 7.212 0.963 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.175 6.170 -1.349 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.694 7.924 -2.190 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.140 9.025 -0.944 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -15.762 8.612 -1.991 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.662 8.035 -3.380 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -17.699 10.127 -3.747 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.393 10.677 -2.111 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -14.875 10.530 -2.723 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.409 10.396 -4.386 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -14.912 12.697 -3.629 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -16.477 12.503 -4.260 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -16.246 12.606 -2.581 1.00 2.44 H new ATOM 1730 N THR A 109 -15.061 7.306 -0.384 1.00 0.26 N ATOM 1731 CA THR A 109 -13.866 7.719 0.324 1.00 0.25 C ATOM 1732 C THR A 109 -12.758 8.093 -0.649 1.00 0.26 C ATOM 1733 O THR A 109 -12.442 7.344 -1.568 1.00 0.35 O ATOM 1734 CB THR A 109 -13.379 6.619 1.286 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.288 6.520 2.387 1.00 0.39 O ATOM 1736 CG2 THR A 109 -11.978 6.906 1.806 1.00 0.42 C ATOM 0 H THR A 109 -14.893 6.969 -1.332 1.00 0.26 H new ATOM 0 HA THR A 109 -14.123 8.600 0.913 1.00 0.25 H new ATOM 0 HB THR A 109 -13.344 5.678 0.737 1.00 0.26 H new ATOM 0 HG1 THR A 109 -14.990 7.197 2.293 1.00 0.39 H new ATOM 0 HG21 THR A 109 -11.670 6.108 2.481 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.283 6.961 0.968 1.00 0.42 H new ATOM 0 HG23 THR A 109 -11.976 7.855 2.342 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.200 9.271 -0.453 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.061 9.719 -1.229 1.00 0.27 C ATOM 1746 C ARG A 110 -9.819 9.659 -0.354 1.00 0.26 C ATOM 1747 O ARG A 110 -9.733 10.356 0.652 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.292 11.149 -1.731 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.180 11.675 -2.625 1.00 0.68 C ATOM 1750 CD ARG A 110 -10.203 11.018 -3.997 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.078 11.453 -4.824 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.179 11.849 -6.093 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -10.361 11.885 -6.696 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -8.090 12.218 -6.753 1.00 2.59 N ATOM 0 H ARG A 110 -12.521 9.942 0.245 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.928 9.072 -2.096 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.233 11.183 -2.280 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.399 11.812 -0.873 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.283 12.754 -2.737 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.215 11.494 -2.151 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -10.173 9.934 -3.882 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -11.139 11.259 -4.500 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.150 11.453 -4.400 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -11.201 11.608 -6.188 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -10.429 12.189 -7.667 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.182 12.198 -6.290 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -8.161 12.522 -7.724 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.874 8.803 -0.708 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.668 8.664 0.099 1.00 0.27 C ATOM 1770 C VAL A 111 -6.549 9.530 -0.443 1.00 0.29 C ATOM 1771 O VAL A 111 -6.375 9.642 -1.663 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.162 7.214 0.177 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.808 6.708 -1.195 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -5.951 7.113 1.087 1.00 0.33 C ATOM 0 H VAL A 111 -8.914 8.203 -1.532 1.00 0.27 H new ATOM 0 HA VAL A 111 -7.948 8.986 1.102 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.962 6.600 0.590 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.452 5.680 -1.123 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.690 6.742 -1.834 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.025 7.334 -1.623 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.611 6.078 1.127 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.151 7.743 0.699 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.221 7.445 2.090 1.00 0.33 H new ATOM 1784 N ASP A 112 -5.795 10.111 0.478 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.664 10.951 0.145 1.00 0.37 C ATOM 1786 C ASP A 112 -3.429 10.485 0.929 1.00 0.37 C ATOM 1787 O ASP A 112 -3.341 10.684 2.141 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.014 12.402 0.480 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.069 13.409 -0.137 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -2.989 13.648 0.446 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -4.387 13.947 -1.216 1.00 1.38 O ATOM 0 H ASP A 112 -5.955 10.010 1.480 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.436 10.879 -0.918 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.028 12.611 0.139 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.010 12.528 1.563 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.515 9.798 0.245 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.272 9.333 0.862 1.00 0.41 C ATOM 1798 C VAL A 113 -0.206 10.402 0.821 1.00 0.43 C ATOM 1799 O VAL A 113 -0.059 11.100 -0.183 1.00 0.47 O ATOM 1800 CB VAL A 113 -0.709 8.047 0.180 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.650 8.269 -0.498 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -0.571 6.949 1.198 1.00 0.77 C ATOM 0 H VAL A 113 -2.612 9.550 -0.740 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.526 9.098 1.896 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.422 7.771 -0.597 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.986 7.337 -0.953 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.552 9.034 -1.268 1.00 0.91 H new ATOM 0 HG13 VAL A 113 1.379 8.594 0.245 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -0.178 6.054 0.716 1.00 0.77 H new ATOM 0 HG22 VAL A 113 0.112 7.267 1.986 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -1.547 6.729 1.631 1.00 0.77 H new ATOM 1812 N GLU A 114 0.528 10.516 1.916 1.00 0.47 N ATOM 1813 CA GLU A 114 1.719 11.336 1.954 1.00 0.55 C ATOM 1814 C GLU A 114 2.928 10.473 2.259 1.00 0.60 C ATOM 1815 O GLU A 114 3.080 9.952 3.364 1.00 0.62 O ATOM 1816 CB GLU A 114 1.602 12.420 3.008 1.00 0.67 C ATOM 1817 CG GLU A 114 0.391 13.313 2.829 1.00 1.31 C ATOM 1818 CD GLU A 114 0.375 14.467 3.807 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -0.040 14.263 4.966 1.00 2.31 O ATOM 1820 OE2 GLU A 114 0.778 15.585 3.425 1.00 2.05 O ATOM 0 H GLU A 114 0.314 10.045 2.795 1.00 0.47 H new ATOM 0 HA GLU A 114 1.835 11.808 0.978 1.00 0.55 H new ATOM 0 HB2 GLU A 114 1.557 11.954 3.992 1.00 0.67 H new ATOM 0 HB3 GLU A 114 2.502 13.034 2.987 1.00 0.67 H new ATOM 0 HG2 GLU A 114 0.378 13.703 1.811 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -0.515 12.721 2.955 1.00 1.31 H new ATOM 1827 N HIS A 115 3.767 10.322 1.266 1.00 0.70 N ATOM 1828 CA HIS A 115 4.993 9.560 1.380 1.00 0.80 C ATOM 1829 C HIS A 115 6.105 10.497 1.781 1.00 0.89 C ATOM 1830 O HIS A 115 6.551 11.314 0.974 1.00 1.17 O ATOM 1831 CB HIS A 115 5.301 8.959 0.028 1.00 0.92 C ATOM 1832 CG HIS A 115 6.169 7.739 0.023 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.035 6.737 -0.917 1.00 1.59 N ATOM 1834 CD2 HIS A 115 7.206 7.375 0.805 1.00 1.36 C ATOM 1835 CE1 HIS A 115 6.952 5.816 -0.707 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.674 6.176 0.330 1.00 1.47 N ATOM 0 H HIS A 115 3.620 10.728 0.342 1.00 0.70 H new ATOM 0 HA HIS A 115 4.894 8.771 2.125 1.00 0.80 H new ATOM 0 HB2 HIS A 115 4.358 8.709 -0.457 1.00 0.92 H new ATOM 0 HB3 HIS A 115 5.782 9.723 -0.584 1.00 0.92 H new ATOM 0 HD2 HIS A 115 7.596 7.925 1.649 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.088 4.916 -1.289 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.456 5.649 0.719 1.00 1.47 H new ATOM 1845 N THR A 116 6.538 10.398 3.013 1.00 0.90 N ATOM 1846 CA THR A 116 7.476 11.350 3.538 1.00 1.08 C ATOM 1847 C THR A 116 8.785 10.701 3.960 1.00 0.83 C ATOM 1848 O THR A 116 8.876 9.483 4.144 1.00 1.67 O ATOM 1849 CB THR A 116 6.870 12.105 4.736 1.00 1.92 C ATOM 1850 OG1 THR A 116 6.306 11.169 5.665 1.00 2.67 O ATOM 1851 CG2 THR A 116 5.798 13.085 4.283 1.00 2.51 C ATOM 0 H THR A 116 6.255 9.669 3.667 1.00 0.90 H new ATOM 0 HA THR A 116 7.693 12.051 2.732 1.00 1.08 H new ATOM 0 HB THR A 116 7.667 12.669 5.220 1.00 1.92 H new ATOM 0 HG1 THR A 116 7.015 10.808 6.237 1.00 2.67 H new ATOM 0 HG21 THR A 116 5.389 13.603 5.150 1.00 2.51 H new ATOM 0 HG22 THR A 116 6.235 13.812 3.599 1.00 2.51 H new ATOM 0 HG23 THR A 116 5.001 12.543 3.775 1.00 2.51 H new ATOM 1859 N HIS A 117 9.800 11.549 4.017 1.00 0.72 N ATOM 1860 CA HIS A 117 11.075 11.297 4.694 1.00 1.13 C ATOM 1861 C HIS A 117 12.139 10.868 3.708 1.00 0.90 C ATOM 1862 O HIS A 117 12.955 11.672 3.274 1.00 0.97 O ATOM 1863 CB HIS A 117 10.972 10.258 5.833 1.00 1.98 C ATOM 1864 CG HIS A 117 10.085 10.648 6.980 1.00 2.07 C ATOM 1865 ND1 HIS A 117 8.837 10.243 7.303 1.00 2.40 N flip ATOM 1866 CD2 HIS A 117 10.461 11.531 7.964 1.00 2.33 C flip ATOM 1867 CE1 HIS A 117 8.486 10.874 8.469 1.00 2.60 C flip ATOM 1868 NE2 HIS A 117 9.486 11.647 8.847 1.00 2.63 N flip ATOM 0 H HIS A 117 9.763 12.469 3.578 1.00 0.72 H new ATOM 0 HA HIS A 117 11.357 12.246 5.150 1.00 1.13 H new ATOM 0 HB2 HIS A 117 10.606 9.320 5.415 1.00 1.98 H new ATOM 0 HB3 HIS A 117 11.973 10.066 6.219 1.00 1.98 H new ATOM 0 HD2 HIS A 117 11.407 12.050 8.008 1.00 2.33 H new ATOM 0 HE1 HIS A 117 7.548 10.758 8.991 1.00 2.60 H new ATOM 0 HE2 HIS A 117 9.503 12.235 9.680 1.00 2.63 H new ATOM 1877 N PHE A 118 12.077 9.617 3.311 1.00 0.76 N ATOM 1878 CA PHE A 118 13.185 8.976 2.621 1.00 0.76 C ATOM 1879 C PHE A 118 13.352 9.476 1.190 1.00 0.65 C ATOM 1880 O PHE A 118 14.460 9.823 0.780 1.00 0.74 O ATOM 1881 CB PHE A 118 12.964 7.476 2.639 1.00 0.97 C ATOM 1882 CG PHE A 118 14.158 6.674 2.212 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.341 6.741 2.926 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.095 5.849 1.100 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.441 5.999 2.541 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.192 5.107 0.710 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.370 5.200 1.412 1.00 3.54 C ATOM 0 H PHE A 118 11.266 9.015 3.453 1.00 0.76 H new ATOM 0 HA PHE A 118 14.107 9.231 3.143 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.679 7.174 3.647 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.126 7.235 1.985 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.405 7.380 3.794 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.178 5.786 0.533 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.353 6.042 3.118 1.00 3.18 H new ATOM 0 HE2 PHE A 118 15.124 4.453 -0.147 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.240 4.650 1.083 1.00 3.54 H new ATOM 1897 N ASP A 119 12.260 9.509 0.441 1.00 0.66 N ATOM 1898 CA ASP A 119 12.281 9.936 -0.951 1.00 0.75 C ATOM 1899 C ASP A 119 12.751 11.380 -1.032 1.00 0.74 C ATOM 1900 O ASP A 119 13.577 11.750 -1.867 1.00 0.83 O ATOM 1901 CB ASP A 119 10.873 9.808 -1.543 1.00 0.94 C ATOM 1902 CG ASP A 119 10.225 8.463 -1.246 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.898 7.724 -2.214 1.00 1.75 O ATOM 1904 OD2 ASP A 119 10.060 8.127 -0.058 1.00 1.81 O ATOM 0 H ASP A 119 11.336 9.241 0.780 1.00 0.66 H new ATOM 0 HA ASP A 119 12.967 9.307 -1.518 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.244 10.604 -1.146 1.00 0.94 H new ATOM 0 HB3 ASP A 119 10.924 9.951 -2.622 1.00 0.94 H new ATOM 1909 N ARG A 120 12.217 12.176 -0.120 1.00 0.76 N ATOM 1910 CA ARG A 120 12.553 13.587 0.016 1.00 0.89 C ATOM 1911 C ARG A 120 14.040 13.794 0.336 1.00 0.83 C ATOM 1912 O ARG A 120 14.587 14.871 0.103 1.00 1.00 O ATOM 1913 CB ARG A 120 11.691 14.183 1.128 1.00 1.07 C ATOM 1914 CG ARG A 120 11.663 15.699 1.158 1.00 1.50 C ATOM 1915 CD ARG A 120 10.728 16.189 2.247 1.00 1.71 C ATOM 1916 NE ARG A 120 10.386 17.598 2.098 1.00 2.15 N ATOM 1917 CZ ARG A 120 9.455 18.212 2.822 1.00 2.66 C ATOM 1918 NH1 ARG A 120 8.805 17.556 3.777 1.00 2.90 N ATOM 1919 NH2 ARG A 120 9.184 19.487 2.596 1.00 3.38 N ATOM 0 H ARG A 120 11.526 11.856 0.559 1.00 0.76 H new ATOM 0 HA ARG A 120 12.357 14.086 -0.933 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.671 13.816 1.016 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.057 13.820 2.088 1.00 1.07 H new ATOM 0 HG2 ARG A 120 12.668 16.084 1.332 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.338 16.082 0.191 1.00 1.50 H new ATOM 0 HD2 ARG A 120 9.815 15.594 2.232 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.195 16.033 3.219 1.00 1.71 H new ATOM 0 HE ARG A 120 10.889 18.144 1.399 1.00 2.15 H new ATOM 0 HH11 ARG A 120 9.019 16.575 3.959 1.00 2.90 H new ATOM 0 HH12 ARG A 120 8.092 18.033 4.329 1.00 2.90 H new ATOM 0 HH21 ARG A 120 9.688 19.995 1.869 1.00 3.38 H new ATOM 0 HH22 ARG A 120 8.471 19.963 3.149 1.00 3.38 H new ATOM 1933 N MET A 121 14.695 12.756 0.854 1.00 0.73 N ATOM 1934 CA MET A 121 16.093 12.858 1.292 1.00 0.91 C ATOM 1935 C MET A 121 17.078 12.815 0.120 1.00 1.12 C ATOM 1936 O MET A 121 18.231 12.426 0.287 1.00 1.41 O ATOM 1937 CB MET A 121 16.434 11.739 2.285 1.00 1.05 C ATOM 1938 CG MET A 121 15.846 11.937 3.671 1.00 1.28 C ATOM 1939 SD MET A 121 16.107 10.513 4.751 1.00 2.15 S ATOM 1940 CE MET A 121 17.887 10.554 4.954 1.00 2.43 C ATOM 0 H MET A 121 14.282 11.832 0.982 1.00 0.73 H new ATOM 0 HA MET A 121 16.195 13.827 1.780 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.077 10.791 1.883 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.518 11.662 2.370 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.293 12.820 4.128 1.00 1.28 H new ATOM 0 HG3 MET A 121 14.777 12.130 3.583 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.166 9.974 5.834 1.00 2.43 H new ATOM 0 HE2 MET A 121 18.364 10.127 4.072 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.215 11.586 5.080 1.00 2.43 H new ATOM 1950 N GLY A 122 16.634 13.202 -1.063 1.00 1.18 N ATOM 1951 CA GLY A 122 17.563 13.357 -2.163 1.00 1.61 C ATOM 1952 C GLY A 122 17.164 12.583 -3.394 1.00 1.21 C ATOM 1953 O GLY A 122 16.460 11.573 -3.306 1.00 1.30 O ATOM 0 H GLY A 122 15.660 13.410 -1.282 1.00 1.18 H new ATOM 0 HA2 GLY A 122 17.642 14.414 -2.417 1.00 1.61 H new ATOM 0 HA3 GLY A 122 18.553 13.031 -1.842 1.00 1.61 H new ATOM 1957 N THR A 123 17.640 13.055 -4.537 1.00 1.27 N ATOM 1958 CA THR A 123 17.325 12.464 -5.828 1.00 1.42 C ATOM 1959 C THR A 123 17.589 10.955 -5.856 1.00 1.27 C ATOM 1960 O THR A 123 16.726 10.186 -6.271 1.00 1.24 O ATOM 1961 CB THR A 123 18.112 13.162 -6.964 1.00 1.94 C ATOM 1962 OG1 THR A 123 17.893 12.493 -8.211 1.00 2.44 O ATOM 1963 CG2 THR A 123 19.608 13.212 -6.666 1.00 2.58 C ATOM 0 H THR A 123 18.259 13.864 -4.594 1.00 1.27 H new ATOM 0 HA THR A 123 16.258 12.616 -5.989 1.00 1.42 H new ATOM 0 HB THR A 123 17.743 14.186 -7.031 1.00 1.94 H new ATOM 0 HG1 THR A 123 18.396 12.947 -8.919 1.00 2.44 H new ATOM 0 HG21 THR A 123 20.126 13.709 -7.486 1.00 2.58 H new ATOM 0 HG22 THR A 123 19.777 13.765 -5.742 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.991 12.198 -6.557 1.00 2.58 H new ATOM 1971 N LYS A 124 18.757 10.527 -5.381 1.00 1.28 N ATOM 1972 CA LYS A 124 19.132 9.118 -5.471 1.00 1.24 C ATOM 1973 C LYS A 124 18.329 8.270 -4.488 1.00 1.05 C ATOM 1974 O LYS A 124 18.120 7.081 -4.720 1.00 1.04 O ATOM 1975 CB LYS A 124 20.642 8.930 -5.255 1.00 1.43 C ATOM 1976 CG LYS A 124 21.114 9.152 -3.825 1.00 2.04 C ATOM 1977 CD LYS A 124 22.634 9.101 -3.718 1.00 2.45 C ATOM 1978 CE LYS A 124 23.211 7.772 -4.199 1.00 3.14 C ATOM 1979 NZ LYS A 124 22.792 6.626 -3.346 1.00 3.80 N ATOM 0 H LYS A 124 19.452 11.127 -4.936 1.00 1.28 H new ATOM 0 HA LYS A 124 18.894 8.777 -6.478 1.00 1.24 H new ATOM 0 HB2 LYS A 124 20.916 7.920 -5.561 1.00 1.43 H new ATOM 0 HB3 LYS A 124 21.177 9.617 -5.910 1.00 1.43 H new ATOM 0 HG2 LYS A 124 20.757 10.119 -3.470 1.00 2.04 H new ATOM 0 HG3 LYS A 124 20.678 8.393 -3.176 1.00 2.04 H new ATOM 0 HD2 LYS A 124 23.063 9.913 -4.305 1.00 2.45 H new ATOM 0 HD3 LYS A 124 22.928 9.267 -2.681 1.00 2.45 H new ATOM 0 HE2 LYS A 124 22.893 7.592 -5.226 1.00 3.14 H new ATOM 0 HE3 LYS A 124 24.299 7.834 -4.209 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 23.237 5.753 -3.694 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 23.088 6.798 -2.364 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 21.758 6.526 -3.383 1.00 3.80 H new ATOM 1993 N HIS A 125 17.853 8.886 -3.407 1.00 0.96 N ATOM 1994 CA HIS A 125 17.031 8.172 -2.431 1.00 0.85 C ATOM 1995 C HIS A 125 15.687 7.820 -3.056 1.00 0.76 C ATOM 1996 O HIS A 125 15.246 6.673 -3.023 1.00 0.76 O ATOM 1997 CB HIS A 125 16.811 9.012 -1.166 1.00 0.85 C ATOM 1998 CG HIS A 125 18.057 9.269 -0.370 1.00 1.23 C ATOM 1999 ND1 HIS A 125 18.109 9.179 1.003 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.296 9.644 -0.764 1.00 1.80 C ATOM 2001 CE1 HIS A 125 19.325 9.491 1.416 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.067 9.776 0.362 1.00 2.12 N ATOM 0 H HIS A 125 18.020 9.868 -3.186 1.00 0.96 H new ATOM 0 HA HIS A 125 17.556 7.261 -2.144 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.372 9.968 -1.451 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.085 8.506 -0.529 1.00 0.85 H new ATOM 0 HD2 HIS A 125 19.619 9.809 -1.781 1.00 1.80 H new ATOM 0 HE1 HIS A 125 19.656 9.510 2.444 1.00 2.14 H new ATOM 0 HE2 HIS A 125 21.050 10.049 0.382 1.00 2.12 H new ATOM 2011 N ALA A 126 15.058 8.818 -3.651 1.00 0.77 N ATOM 2012 CA ALA A 126 13.786 8.625 -4.324 1.00 0.80 C ATOM 2013 C ALA A 126 13.960 7.807 -5.594 1.00 0.86 C ATOM 2014 O ALA A 126 13.067 7.067 -5.996 1.00 0.92 O ATOM 2015 CB ALA A 126 13.168 9.970 -4.649 1.00 0.92 C ATOM 0 H ALA A 126 15.410 9.775 -3.682 1.00 0.77 H new ATOM 0 HA ALA A 126 13.122 8.075 -3.656 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.214 9.820 -5.154 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.007 10.529 -3.727 1.00 0.92 H new ATOM 0 HB3 ALA A 126 13.839 10.531 -5.300 1.00 0.92 H new ATOM 2021 N LYS A 127 15.123 7.942 -6.220 1.00 0.92 N ATOM 2022 CA LYS A 127 15.416 7.245 -7.464 1.00 1.05 C ATOM 2023 C LYS A 127 15.539 5.741 -7.238 1.00 0.97 C ATOM 2024 O LYS A 127 15.102 4.948 -8.071 1.00 1.04 O ATOM 2025 CB LYS A 127 16.702 7.796 -8.085 1.00 1.26 C ATOM 2026 CG LYS A 127 17.003 7.259 -9.474 1.00 1.55 C ATOM 2027 CD LYS A 127 18.073 8.091 -10.167 1.00 1.93 C ATOM 2028 CE LYS A 127 17.634 9.541 -10.321 1.00 2.38 C ATOM 2029 NZ LYS A 127 18.562 10.327 -11.176 1.00 2.83 N ATOM 0 H LYS A 127 15.883 8.533 -5.882 1.00 0.92 H new ATOM 0 HA LYS A 127 14.587 7.414 -8.152 1.00 1.05 H new ATOM 0 HB2 LYS A 127 16.631 8.883 -8.135 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.539 7.561 -7.428 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.334 6.223 -9.402 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.092 7.262 -10.073 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.998 8.048 -9.593 1.00 1.93 H new ATOM 0 HD3 LYS A 127 18.287 7.668 -11.148 1.00 1.93 H new ATOM 0 HE2 LYS A 127 16.634 9.571 -10.753 1.00 2.38 H new ATOM 0 HE3 LYS A 127 17.570 10.005 -9.337 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 18.220 11.306 -11.250 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 19.512 10.323 -10.752 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.604 9.902 -12.124 1.00 2.83 H new ATOM 2043 N ARG A 128 16.128 5.349 -6.110 1.00 0.94 N ATOM 2044 CA ARG A 128 16.246 3.934 -5.780 1.00 1.00 C ATOM 2045 C ARG A 128 14.883 3.369 -5.377 1.00 0.97 C ATOM 2046 O ARG A 128 14.556 2.232 -5.710 1.00 1.09 O ATOM 2047 CB ARG A 128 17.300 3.702 -4.682 1.00 1.14 C ATOM 2048 CG ARG A 128 16.992 4.390 -3.365 1.00 1.11 C ATOM 2049 CD ARG A 128 18.157 4.316 -2.388 1.00 1.34 C ATOM 2050 NE ARG A 128 18.413 2.957 -1.912 1.00 1.59 N ATOM 2051 CZ ARG A 128 18.733 2.662 -0.650 1.00 1.95 C ATOM 2052 NH1 ARG A 128 18.866 3.632 0.245 1.00 2.14 N ATOM 2053 NH2 ARG A 128 18.944 1.406 -0.286 1.00 2.59 N ATOM 0 H ARG A 128 16.526 5.984 -5.418 1.00 0.94 H new ATOM 0 HA ARG A 128 16.586 3.401 -6.668 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.394 2.630 -4.505 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.267 4.051 -5.043 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.744 5.435 -3.553 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.113 3.930 -2.914 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.055 4.702 -2.871 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.951 4.962 -1.535 1.00 1.34 H new ATOM 0 HE ARG A 128 18.343 2.191 -2.582 1.00 1.59 H new ATOM 0 HH11 ARG A 128 18.724 4.604 -0.031 1.00 2.14 H new ATOM 0 HH12 ARG A 128 19.110 3.406 1.209 1.00 2.14 H new ATOM 0 HH21 ARG A 128 18.862 0.656 -0.972 1.00 2.59 H new ATOM 0 HH22 ARG A 128 19.188 1.189 0.680 1.00 2.59 H new ATOM 2067 N VAL A 129 14.075 4.173 -4.685 1.00 0.91 N ATOM 2068 CA VAL A 129 12.712 3.764 -4.336 1.00 1.04 C ATOM 2069 C VAL A 129 11.842 3.690 -5.590 1.00 1.04 C ATOM 2070 O VAL A 129 10.951 2.839 -5.706 1.00 1.19 O ATOM 2071 CB VAL A 129 12.070 4.734 -3.318 1.00 1.16 C ATOM 2072 CG1 VAL A 129 10.629 4.347 -3.017 1.00 1.43 C ATOM 2073 CG2 VAL A 129 12.886 4.777 -2.038 1.00 1.48 C ATOM 0 H VAL A 129 14.336 5.103 -4.357 1.00 0.91 H new ATOM 0 HA VAL A 129 12.775 2.778 -3.876 1.00 1.04 H new ATOM 0 HB VAL A 129 12.063 5.729 -3.763 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.206 5.049 -2.298 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.045 4.374 -3.937 1.00 1.43 H new ATOM 0 HG13 VAL A 129 10.602 3.340 -2.600 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.420 5.465 -1.332 1.00 1.48 H new ATOM 0 HG22 VAL A 129 12.928 3.780 -1.599 1.00 1.48 H new ATOM 0 HG23 VAL A 129 13.897 5.117 -2.262 1.00 1.48 H new ATOM 2083 N ARG A 130 12.138 4.573 -6.538 1.00 0.99 N ATOM 2084 CA ARG A 130 11.446 4.624 -7.824 1.00 1.14 C ATOM 2085 C ARG A 130 11.548 3.288 -8.553 1.00 1.05 C ATOM 2086 O ARG A 130 10.731 2.979 -9.411 1.00 1.24 O ATOM 2087 CB ARG A 130 12.052 5.731 -8.690 1.00 1.30 C ATOM 2088 CG ARG A 130 11.314 5.981 -9.995 1.00 1.75 C ATOM 2089 CD ARG A 130 12.051 6.990 -10.860 1.00 1.86 C ATOM 2090 NE ARG A 130 12.259 8.264 -10.167 1.00 2.36 N ATOM 2091 CZ ARG A 130 12.818 9.338 -10.726 1.00 2.92 C ATOM 2092 NH1 ARG A 130 13.188 9.310 -12.001 1.00 3.04 N ATOM 2093 NH2 ARG A 130 12.995 10.442 -10.009 1.00 3.83 N ATOM 0 H ARG A 130 12.868 5.278 -6.437 1.00 0.99 H new ATOM 0 HA ARG A 130 10.393 4.835 -7.640 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.071 6.656 -8.114 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.087 5.474 -8.915 1.00 1.30 H new ATOM 0 HG2 ARG A 130 11.205 5.043 -10.539 1.00 1.75 H new ATOM 0 HG3 ARG A 130 10.309 6.346 -9.783 1.00 1.75 H new ATOM 0 HD2 ARG A 130 13.016 6.577 -11.156 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.485 7.164 -11.775 1.00 1.86 H new ATOM 0 HE ARG A 130 11.957 8.334 -9.195 1.00 2.36 H new ATOM 0 HH11 ARG A 130 13.045 8.466 -12.555 1.00 3.04 H new ATOM 0 HH12 ARG A 130 13.615 10.133 -12.426 1.00 3.04 H new ATOM 0 HH21 ARG A 130 12.703 10.468 -9.032 1.00 3.83 H new ATOM 0 HH22 ARG A 130 13.422 11.264 -10.436 1.00 3.83 H new ATOM 2107 N ASN A 131 12.546 2.493 -8.195 1.00 0.85 N ATOM 2108 CA ASN A 131 12.753 1.194 -8.825 1.00 0.88 C ATOM 2109 C ASN A 131 11.594 0.241 -8.542 1.00 1.08 C ATOM 2110 O ASN A 131 11.391 -0.725 -9.269 1.00 1.24 O ATOM 2111 CB ASN A 131 14.075 0.562 -8.367 1.00 0.88 C ATOM 2112 CG ASN A 131 15.291 1.346 -8.821 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.257 2.044 -9.833 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.381 1.223 -8.083 1.00 2.04 N ATOM 0 H ASN A 131 13.226 2.724 -7.471 1.00 0.85 H new ATOM 0 HA ASN A 131 12.800 1.364 -9.901 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.080 0.490 -7.279 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.139 -0.455 -8.754 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.234 1.717 -8.346 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.369 0.634 -7.250 1.00 2.04 H new ATOM 2121 N GLY A 132 10.836 0.505 -7.484 1.00 1.23 N ATOM 2122 CA GLY A 132 9.784 -0.415 -7.098 1.00 1.61 C ATOM 2123 C GLY A 132 8.377 0.112 -7.338 1.00 1.21 C ATOM 2124 O GLY A 132 7.590 -0.506 -8.052 1.00 1.24 O ATOM 0 H GLY A 132 10.929 1.331 -6.892 1.00 1.23 H new ATOM 0 HA2 GLY A 132 9.910 -1.346 -7.650 1.00 1.61 H new ATOM 0 HA3 GLY A 132 9.895 -0.654 -6.040 1.00 1.61 H new ATOM 2128 N MET A 133 8.056 1.247 -6.735 1.00 1.24 N ATOM 2129 CA MET A 133 6.677 1.743 -6.717 1.00 1.38 C ATOM 2130 C MET A 133 6.277 2.455 -8.012 1.00 1.35 C ATOM 2131 O MET A 133 5.101 2.771 -8.197 1.00 1.56 O ATOM 2132 CB MET A 133 6.461 2.685 -5.527 1.00 2.06 C ATOM 2133 CG MET A 133 7.276 3.969 -5.588 1.00 2.92 C ATOM 2134 SD MET A 133 6.903 5.090 -4.225 1.00 3.99 S ATOM 2135 CE MET A 133 8.006 6.450 -4.602 1.00 4.83 C ATOM 0 H MET A 133 8.726 1.845 -6.251 1.00 1.24 H new ATOM 0 HA MET A 133 6.039 0.865 -6.620 1.00 1.38 H new ATOM 0 HB2 MET A 133 5.403 2.942 -5.470 1.00 2.06 H new ATOM 0 HB3 MET A 133 6.710 2.154 -4.608 1.00 2.06 H new ATOM 0 HG2 MET A 133 8.338 3.723 -5.571 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.081 4.475 -6.534 1.00 2.92 H new ATOM 0 HE1 MET A 133 8.237 6.995 -3.687 1.00 4.83 H new ATOM 0 HE2 MET A 133 8.927 6.062 -5.036 1.00 4.83 H new ATOM 0 HE3 MET A 133 7.525 7.122 -5.313 1.00 4.83 H new ATOM 2145 N ASP A 134 7.242 2.706 -8.896 1.00 1.38 N ATOM 2146 CA ASP A 134 7.031 3.584 -10.059 1.00 1.84 C ATOM 2147 C ASP A 134 5.821 3.174 -10.901 1.00 1.95 C ATOM 2148 O ASP A 134 4.985 4.016 -11.230 1.00 2.41 O ATOM 2149 CB ASP A 134 8.280 3.638 -10.947 1.00 2.05 C ATOM 2150 CG ASP A 134 8.515 2.364 -11.739 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.750 1.308 -11.120 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.465 2.416 -12.985 1.00 2.28 O ATOM 0 H ASP A 134 8.182 2.315 -8.833 1.00 1.38 H new ATOM 0 HA ASP A 134 6.831 4.576 -9.653 1.00 1.84 H new ATOM 0 HB2 ASP A 134 8.188 4.475 -11.639 1.00 2.05 H new ATOM 0 HB3 ASP A 134 9.152 3.835 -10.323 1.00 2.05 H new ATOM 2157 N LYS A 135 5.725 1.899 -11.253 1.00 1.70 N ATOM 2158 CA LYS A 135 4.632 1.430 -12.095 1.00 2.03 C ATOM 2159 C LYS A 135 3.686 0.530 -11.309 1.00 1.70 C ATOM 2160 O LYS A 135 2.530 0.343 -11.687 1.00 2.17 O ATOM 2161 CB LYS A 135 5.185 0.705 -13.327 1.00 2.40 C ATOM 2162 CG LYS A 135 4.119 0.305 -14.333 1.00 3.08 C ATOM 2163 CD LYS A 135 4.723 -0.003 -15.692 1.00 3.44 C ATOM 2164 CE LYS A 135 3.669 -0.479 -16.679 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.183 -0.477 -18.074 1.00 4.15 N ATOM 0 H LYS A 135 6.386 1.175 -10.971 1.00 1.70 H new ATOM 0 HA LYS A 135 4.061 2.295 -12.433 1.00 2.03 H new ATOM 0 HB2 LYS A 135 5.913 1.349 -13.820 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.718 -0.188 -13.002 1.00 2.40 H new ATOM 0 HG2 LYS A 135 3.581 -0.569 -13.966 1.00 3.08 H new ATOM 0 HG3 LYS A 135 3.390 1.110 -14.432 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.212 0.889 -16.084 1.00 3.44 H new ATOM 0 HD3 LYS A 135 5.492 -0.767 -15.584 1.00 3.44 H new ATOM 0 HE2 LYS A 135 3.347 -1.485 -16.411 1.00 3.61 H new ATOM 0 HE3 LYS A 135 2.792 0.164 -16.613 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 3.437 -0.807 -18.719 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 4.467 0.488 -18.338 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 5.005 -1.110 -18.142 1.00 4.15 H new ATOM 2179 N GLY A 136 4.177 -0.002 -10.204 1.00 1.04 N ATOM 2180 CA GLY A 136 3.366 -0.843 -9.353 1.00 0.79 C ATOM 2181 C GLY A 136 2.198 -0.083 -8.769 1.00 0.65 C ATOM 2182 O GLY A 136 1.056 -0.455 -8.993 1.00 0.57 O ATOM 0 H GLY A 136 5.134 0.135 -9.878 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.997 -1.693 -9.926 1.00 0.79 H new ATOM 0 HA3 GLY A 136 3.979 -1.244 -8.546 1.00 0.79 H new ATOM 2186 N TRP A 137 2.486 1.003 -8.060 1.00 0.68 N ATOM 2187 CA TRP A 137 1.456 1.794 -7.381 1.00 0.67 C ATOM 2188 C TRP A 137 0.346 2.273 -8.326 1.00 0.57 C ATOM 2189 O TRP A 137 -0.825 2.029 -8.050 1.00 0.56 O ATOM 2190 CB TRP A 137 2.080 2.987 -6.653 1.00 0.81 C ATOM 2191 CG TRP A 137 2.559 2.665 -5.275 1.00 0.66 C ATOM 2192 CD1 TRP A 137 2.849 1.430 -4.771 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.805 3.599 -4.220 1.00 0.93 C ATOM 2194 NE1 TRP A 137 3.250 1.541 -3.465 1.00 1.62 N ATOM 2195 CE2 TRP A 137 3.236 2.862 -3.104 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.701 4.990 -4.112 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 3.563 3.468 -1.895 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 3.026 5.589 -2.911 1.00 2.78 C ATOM 2199 CH2 TRP A 137 3.454 4.829 -1.816 1.00 2.32 C ATOM 0 H TRP A 137 3.433 1.361 -7.938 1.00 0.68 H new ATOM 0 HA TRP A 137 0.990 1.129 -6.654 1.00 0.67 H new ATOM 0 HB2 TRP A 137 2.917 3.363 -7.241 1.00 0.81 H new ATOM 0 HB3 TRP A 137 1.346 3.790 -6.595 1.00 0.81 H new ATOM 0 HD1 TRP A 137 2.774 0.503 -5.320 1.00 1.62 H new ATOM 0 HE1 TRP A 137 3.516 0.765 -2.859 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.373 5.584 -4.952 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 3.892 2.884 -1.048 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.949 6.662 -2.815 1.00 2.78 H new ATOM 0 HH2 TRP A 137 3.703 5.327 -0.891 1.00 2.32 H new ATOM 2210 N PRO A 138 0.670 2.962 -9.444 1.00 0.58 N ATOM 2211 CA PRO A 138 -0.352 3.413 -10.397 1.00 0.61 C ATOM 2212 C PRO A 138 -1.195 2.255 -10.926 1.00 0.58 C ATOM 2213 O PRO A 138 -2.407 2.390 -11.114 1.00 0.64 O ATOM 2214 CB PRO A 138 0.451 4.055 -11.534 1.00 0.68 C ATOM 2215 CG PRO A 138 1.849 3.582 -11.342 1.00 0.66 C ATOM 2216 CD PRO A 138 2.017 3.378 -9.866 1.00 0.63 C ATOM 0 HA PRO A 138 -1.060 4.099 -9.931 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.064 3.754 -12.508 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.394 5.143 -11.491 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.025 2.654 -11.887 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.564 4.314 -11.719 1.00 0.66 H new ATOM 0 HD2 PRO A 138 2.764 2.616 -9.645 1.00 0.63 H new ATOM 0 HD3 PRO A 138 2.335 4.292 -9.364 1.00 0.63 H new ATOM 2224 N THR A 139 -0.557 1.116 -11.152 1.00 0.57 N ATOM 2225 CA THR A 139 -1.267 -0.076 -11.590 1.00 0.62 C ATOM 2226 C THR A 139 -2.133 -0.619 -10.447 1.00 0.54 C ATOM 2227 O THR A 139 -3.314 -0.947 -10.626 1.00 0.55 O ATOM 2228 CB THR A 139 -0.266 -1.154 -12.051 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.553 -0.638 -13.105 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.969 -2.409 -12.529 1.00 0.87 C ATOM 0 H THR A 139 0.449 0.992 -11.040 1.00 0.57 H new ATOM 0 HA THR A 139 -1.910 0.187 -12.430 1.00 0.62 H new ATOM 0 HB THR A 139 0.351 -1.419 -11.192 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.340 -0.197 -12.722 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.228 -3.143 -12.845 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.567 -2.823 -11.717 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.619 -2.164 -13.369 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.530 -0.674 -9.264 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.184 -1.181 -8.070 1.00 0.47 C ATOM 2240 C ILE A 140 -3.444 -0.396 -7.748 1.00 0.42 C ATOM 2241 O ILE A 140 -4.518 -0.973 -7.640 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.226 -1.153 -6.852 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.151 -2.233 -7.001 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -1.986 -1.327 -5.546 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.777 -2.348 -5.810 1.00 0.72 C ATOM 0 H ILE A 140 -0.570 -0.366 -9.109 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.463 -2.214 -8.276 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.742 -0.177 -6.823 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.637 -3.195 -7.164 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.442 -2.021 -7.891 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.285 -1.303 -4.711 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.710 -0.519 -5.436 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.508 -2.284 -5.554 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.509 -3.134 -5.994 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.293 -1.400 -5.658 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.198 -2.592 -4.920 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.312 0.916 -7.638 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.409 1.770 -7.205 1.00 0.36 C ATOM 2259 C LEU A 141 -5.591 1.724 -8.167 1.00 0.38 C ATOM 2260 O LEU A 141 -6.727 1.989 -7.774 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.922 3.205 -7.057 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.803 3.404 -6.039 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.438 4.874 -5.959 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -3.214 2.867 -4.671 1.00 0.56 C ATOM 0 H LEU A 141 -2.448 1.417 -7.844 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.754 1.393 -6.242 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.576 3.557 -8.029 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.767 3.832 -6.773 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.926 2.844 -6.364 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.639 5.011 -5.231 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -2.102 5.219 -6.937 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -3.311 5.450 -5.652 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.401 3.019 -3.961 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -4.102 3.395 -4.325 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.433 1.802 -4.749 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.326 1.388 -9.420 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.383 1.293 -10.415 1.00 0.48 C ATOM 2278 C GLN A 142 -7.206 0.036 -10.189 1.00 0.47 C ATOM 2279 O GLN A 142 -8.418 0.101 -9.986 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.782 1.298 -11.819 1.00 0.58 C ATOM 2281 CG GLN A 142 -6.227 2.477 -12.667 1.00 0.88 C ATOM 2282 CD GLN A 142 -5.927 3.824 -12.026 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -6.645 4.798 -12.248 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.869 3.895 -11.230 1.00 0.77 N ATOM 0 H GLN A 142 -4.392 1.177 -9.771 1.00 0.43 H new ATOM 0 HA GLN A 142 -7.041 2.156 -10.316 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.695 1.308 -11.740 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.056 0.373 -12.326 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.733 2.425 -13.637 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -7.299 2.400 -12.851 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -4.296 3.067 -11.068 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -4.628 4.778 -10.779 1.00 0.77 H new ATOM 2293 N SER A 143 -6.536 -1.107 -10.187 1.00 0.49 N ATOM 2294 CA SER A 143 -7.200 -2.373 -9.916 1.00 0.53 C ATOM 2295 C SER A 143 -7.698 -2.419 -8.470 1.00 0.45 C ATOM 2296 O SER A 143 -8.619 -3.164 -8.140 1.00 0.46 O ATOM 2297 CB SER A 143 -6.249 -3.525 -10.217 1.00 0.64 C ATOM 2298 OG SER A 143 -5.938 -3.564 -11.599 1.00 1.15 O ATOM 0 H SER A 143 -5.535 -1.184 -10.370 1.00 0.49 H new ATOM 0 HA SER A 143 -8.071 -2.470 -10.564 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.334 -3.410 -9.636 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.703 -4.468 -9.914 1.00 0.64 H new ATOM 0 HG SER A 143 -5.325 -4.308 -11.776 1.00 1.15 H new ATOM 2304 N PHE A 144 -7.075 -1.612 -7.618 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.498 -1.463 -6.234 1.00 0.36 C ATOM 2306 C PHE A 144 -8.921 -0.906 -6.166 1.00 0.32 C ATOM 2307 O PHE A 144 -9.809 -1.513 -5.564 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.525 -0.534 -5.501 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.953 -0.136 -4.116 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.045 -1.078 -3.107 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.248 1.186 -3.824 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.423 -0.710 -1.832 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.630 1.560 -2.550 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.717 0.610 -1.553 1.00 0.78 C ATOM 0 H PHE A 144 -6.265 -1.045 -7.868 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.493 -2.440 -5.752 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.554 -1.025 -5.439 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.388 0.368 -6.097 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.819 -2.112 -3.320 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.179 1.933 -4.601 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.489 -1.454 -1.052 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.860 2.593 -2.335 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.015 0.899 -0.556 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.131 0.240 -6.815 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.450 0.872 -6.882 1.00 0.31 C ATOM 2326 C GLN A 145 -11.446 -0.036 -7.590 1.00 0.35 C ATOM 2327 O GLN A 145 -12.629 -0.042 -7.265 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.357 2.205 -7.625 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.667 3.297 -6.828 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.325 4.501 -7.677 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -10.116 5.436 -7.815 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -8.133 4.490 -8.242 1.00 0.66 N ATOM 0 H GLN A 145 -8.398 0.753 -7.305 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.796 1.048 -5.863 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.818 2.053 -8.560 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.362 2.537 -7.886 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.313 3.607 -6.006 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.755 2.898 -6.384 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.509 3.695 -8.101 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.835 5.276 -8.819 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.953 -0.809 -8.549 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.803 -1.697 -9.335 1.00 0.43 C ATOM 2343 C ASP A 146 -12.264 -2.898 -8.526 1.00 0.40 C ATOM 2344 O ASP A 146 -13.419 -3.302 -8.631 1.00 0.44 O ATOM 2345 CB ASP A 146 -11.096 -2.168 -10.608 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.291 -1.212 -11.767 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.442 -0.794 -12.011 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.288 -0.873 -12.438 1.00 1.46 O ATOM 0 H ASP A 146 -9.966 -0.840 -8.803 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.681 -1.117 -9.619 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.030 -2.279 -10.408 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -11.472 -3.152 -10.886 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.372 -3.470 -7.724 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.744 -4.589 -6.864 1.00 0.51 C ATOM 2355 C LYS A 147 -12.751 -4.122 -5.821 1.00 0.48 C ATOM 2356 O LYS A 147 -13.737 -4.801 -5.547 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.510 -5.201 -6.186 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.816 -6.445 -5.357 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.518 -7.513 -6.188 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.705 -8.812 -5.412 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.508 -8.630 -4.171 1.00 1.74 N ATOM 0 H LYS A 147 -10.396 -3.182 -7.651 1.00 0.42 H new ATOM 0 HA LYS A 147 -12.200 -5.363 -7.481 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.776 -5.457 -6.951 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -10.051 -4.451 -5.542 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.889 -6.850 -4.951 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.443 -6.172 -4.508 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.490 -7.140 -6.510 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.938 -7.710 -7.089 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -12.195 -9.546 -6.052 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.728 -9.218 -5.151 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -12.705 -9.558 -3.746 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.975 -8.046 -3.495 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.405 -8.159 -4.404 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.503 -2.945 -5.257 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.439 -2.329 -4.326 1.00 0.40 C ATOM 2377 C ILE A 148 -14.765 -2.038 -5.020 1.00 0.42 C ATOM 2378 O ILE A 148 -15.842 -2.204 -4.444 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.867 -1.017 -3.758 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.609 -1.295 -2.938 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.907 -0.300 -2.911 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -10.968 -0.045 -2.382 1.00 0.37 C ATOM 0 H ILE A 148 -11.659 -2.398 -5.429 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.602 -3.029 -3.507 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.600 -0.369 -4.593 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.861 -1.963 -2.114 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.885 -1.819 -3.563 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.483 0.624 -2.519 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.778 -0.068 -3.524 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.206 -0.942 -2.082 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.080 -0.315 -1.810 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.685 0.615 -3.202 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.676 0.468 -1.731 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.665 -1.607 -6.267 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.823 -1.340 -7.105 1.00 0.49 C ATOM 2396 C ASP A 149 -16.675 -2.599 -7.242 1.00 0.55 C ATOM 2397 O ASP A 149 -17.906 -2.536 -7.244 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.340 -0.860 -8.475 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.433 -0.293 -9.350 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.492 0.091 -8.821 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.206 -0.190 -10.572 1.00 0.77 O ATOM 0 H ASP A 149 -13.773 -1.431 -6.729 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.440 -0.566 -6.649 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.573 -0.099 -8.332 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.869 -1.694 -8.995 1.00 0.54 H new ATOM 2406 N GLU A 150 -16.001 -3.741 -7.323 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.665 -5.036 -7.410 1.00 0.68 C ATOM 2408 C GLU A 150 -17.277 -5.412 -6.065 1.00 0.75 C ATOM 2409 O GLU A 150 -18.345 -6.021 -6.007 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.668 -6.115 -7.849 1.00 0.76 C ATOM 2411 CG GLU A 150 -15.070 -5.862 -9.221 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.982 -6.849 -9.588 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.791 -6.521 -9.403 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -14.311 -7.941 -10.090 1.00 1.50 O ATOM 0 H GLU A 150 -14.982 -3.795 -7.330 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.461 -4.966 -8.151 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.864 -6.176 -7.116 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.170 -7.083 -7.852 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.861 -5.908 -9.969 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.661 -4.852 -9.251 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.595 -5.031 -4.990 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.061 -5.315 -3.640 1.00 0.84 C ATOM 2423 C GLU A 151 -18.323 -4.521 -3.344 1.00 0.88 C ATOM 2424 O GLU A 151 -19.241 -5.010 -2.683 1.00 1.06 O ATOM 2425 CB GLU A 151 -15.981 -4.973 -2.611 1.00 0.86 C ATOM 2426 CG GLU A 151 -14.714 -5.803 -2.747 1.00 0.95 C ATOM 2427 CD GLU A 151 -14.976 -7.293 -2.649 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.091 -7.950 -3.701 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.071 -7.811 -1.516 1.00 1.63 O ATOM 0 H GLU A 151 -15.712 -4.522 -5.030 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.282 -6.380 -3.572 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.724 -3.918 -2.706 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.389 -5.113 -1.610 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.242 -5.584 -3.705 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.008 -5.511 -1.970 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.352 -3.291 -3.839 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.526 -2.461 -3.699 1.00 0.96 C ATOM 2438 C GLY A 152 -20.663 -2.951 -4.566 1.00 1.04 C ATOM 2439 O GLY A 152 -21.676 -3.430 -4.051 1.00 1.32 O ATOM 0 H GLY A 152 -17.577 -2.854 -4.337 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.842 -2.450 -2.656 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.280 -1.434 -3.968 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.482 -2.860 -5.881 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.500 -3.289 -6.831 1.00 1.47 C ATOM 2445 C ALA A 153 -20.983 -3.234 -8.268 1.00 1.29 C ATOM 2446 O ALA A 153 -21.216 -2.256 -8.985 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.757 -2.443 -6.694 1.00 1.92 C ATOM 0 H ALA A 153 -19.635 -2.491 -6.313 1.00 1.14 H new ATOM 0 HA ALA A 153 -21.746 -4.325 -6.599 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.503 -2.781 -7.413 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.155 -2.543 -5.684 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.515 -1.398 -6.887 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.249 -4.267 -8.663 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.812 -4.428 -10.047 1.00 1.02 C ATOM 2455 C LYS A 154 -19.363 -5.863 -10.297 1.00 1.38 C ATOM 2456 O LYS A 154 -18.182 -6.190 -10.173 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.671 -3.468 -10.400 1.00 0.91 C ATOM 2458 CG LYS A 154 -18.232 -3.588 -11.853 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.965 -2.800 -12.140 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.803 -3.283 -11.284 1.00 0.73 C ATOM 2461 NZ LYS A 154 -14.529 -2.603 -11.632 1.00 1.32 N ATOM 0 H LYS A 154 -19.941 -5.013 -8.039 1.00 1.09 H new ATOM 0 HA LYS A 154 -20.664 -4.192 -10.684 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -18.989 -2.444 -10.204 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.819 -3.667 -9.750 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.067 -4.638 -12.095 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -19.032 -3.234 -12.502 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.706 -2.896 -13.194 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -17.143 -1.741 -11.951 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -16.031 -3.108 -10.233 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.684 -4.359 -11.409 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.756 -2.999 -11.060 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.322 -2.748 -12.641 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -14.615 -1.585 -11.440 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.314 -6.718 -10.617 1.00 1.82 N ATOM 2476 CA LYS A 155 -20.037 -8.115 -10.916 1.00 2.44 C ATOM 2477 C LYS A 155 -21.018 -8.615 -11.963 1.00 3.14 C ATOM 2478 O LYS A 155 -20.593 -8.827 -13.117 1.00 3.71 O ATOM 2479 CB LYS A 155 -20.109 -8.972 -9.645 1.00 2.82 C ATOM 2480 CG LYS A 155 -18.848 -8.887 -8.794 1.00 2.95 C ATOM 2481 CD LYS A 155 -19.066 -9.409 -7.385 1.00 3.46 C ATOM 2482 CE LYS A 155 -20.026 -8.521 -6.612 1.00 3.45 C ATOM 2483 NZ LYS A 155 -20.022 -8.830 -5.160 1.00 4.22 N ATOM 2484 OXT LYS A 155 -22.217 -8.732 -11.641 1.00 3.60 O ATOM 0 H LYS A 155 -21.301 -6.467 -10.678 1.00 1.82 H new ATOM 0 HA LYS A 155 -19.025 -8.198 -11.311 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -20.965 -8.655 -9.049 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -20.282 -10.011 -9.924 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -18.051 -9.458 -9.271 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -18.513 -7.851 -8.747 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -19.460 -10.424 -7.428 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -18.111 -9.459 -6.861 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -19.753 -7.476 -6.761 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -21.034 -8.647 -7.007 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -20.690 -8.202 -4.670 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -20.307 -9.820 -5.015 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -19.066 -8.685 -4.777 1.00 4.22 H new TER 2498 LYS A 155