USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 THR OG1 : rot 180:sc= 0.0102 USER MOD Set 1.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 HIS : no HE2:sc= 0.622 K(o=1,f=-1.7!) USER MOD Set 2.2: A 35 ASN : amide:sc= 0.408 K(o=1,f=-3) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0889 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.138 (180deg=-0.0239) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.17) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= -0.0115 (180deg=-0.153) USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= 1.35 (180deg=0.0933) USER MOD Single : A 13 THR OG1 : rot -140:sc= 0.00486 USER MOD Single : A 14 ASN : amide:sc= 0.246 K(o=0.25,f=-4.4!) USER MOD Single : A 15 THR OG1 : rot -123:sc= 0.334 USER MOD Single : A 22 ASN : amide:sc= -0.0995 K(o=-0.099,f=-1.1!) USER MOD Single : A 25 SER OG : rot 112:sc= 1.26 USER MOD Single : A 26 THR OG1 : rot -100:sc= 0.614 USER MOD Single : A 27 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 30 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.00022) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -2.27! (180deg=-2.87) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.05) USER MOD Single : A 36 THR OG1 : rot -31:sc= 1.2 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 1.22 (180deg=0.859) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc=-0.000589 (180deg=-0.113) USER MOD Single : A 55 SER OG : rot -125:sc= 0.675 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 1.33 K(o=1.3,f=-6.6!) USER MOD Single : A 60 THR OG1 : rot 104:sc= 0.0747 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -123:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= 0.817 K(o=0.82,f=-1) USER MOD Single : A 72 THR OG1 : rot -68:sc= 0.995 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 77 LYS NZ :NH3+ -106:sc= 1.27 (180deg=0.31) USER MOD Single : A 78 TYR OH : rot 2:sc= -0.0954 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000363) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00231) USER MOD Single : A 83 SER OG : rot -130:sc=-0.00542 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.65) USER MOD Single : A 86 LYS NZ :NH3+ 131:sc= -0.131 (180deg=-0.596) USER MOD Single : A 90 THR OG1 : rot -160:sc= -0.0811 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.263 F(o=-0.91,f=-0.26) USER MOD Single : A 94 GLN : amide:sc= -2.02! C(o=-2!,f=-4!) USER MOD Single : A 98 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-5.5!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0222 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.766 14.543 5.263 1.00 2.73 N ATOM 2 CA MET A 1 -5.858 14.421 4.100 1.00 1.99 C ATOM 3 C MET A 1 -5.525 12.960 3.849 1.00 1.53 C ATOM 4 O MET A 1 -5.973 12.089 4.595 1.00 2.16 O ATOM 5 CB MET A 1 -4.566 15.214 4.322 1.00 2.50 C ATOM 6 CG MET A 1 -4.785 16.701 4.542 1.00 3.10 C ATOM 7 SD MET A 1 -3.249 17.646 4.494 1.00 4.10 S ATOM 8 CE MET A 1 -2.274 16.784 5.725 1.00 4.70 C ATOM 0 H1 MET A 1 -7.595 15.113 4.998 1.00 2.73 H new ATOM 0 H2 MET A 1 -7.078 13.597 5.561 1.00 2.73 H new ATOM 0 H3 MET A 1 -6.264 15.005 6.048 1.00 2.73 H new ATOM 0 HA MET A 1 -6.369 14.832 3.229 1.00 1.99 H new ATOM 0 HB2 MET A 1 -4.043 14.802 5.185 1.00 2.50 H new ATOM 0 HB3 MET A 1 -3.914 15.077 3.459 1.00 2.50 H new ATOM 0 HG2 MET A 1 -5.464 17.081 3.779 1.00 3.10 H new ATOM 0 HG3 MET A 1 -5.271 16.854 5.506 1.00 3.10 H new ATOM 0 HE1 MET A 1 -1.406 17.387 5.989 1.00 4.70 H new ATOM 0 HE2 MET A 1 -2.880 16.612 6.614 1.00 4.70 H new ATOM 0 HE3 MET A 1 -1.942 15.827 5.322 1.00 4.70 H new ATOM 20 N GLN A 2 -4.713 12.712 2.818 1.00 0.97 N ATOM 21 CA GLN A 2 -4.440 11.361 2.328 1.00 0.74 C ATOM 22 C GLN A 2 -5.712 10.733 1.772 1.00 0.65 C ATOM 23 O GLN A 2 -6.649 10.432 2.510 1.00 0.86 O ATOM 24 CB GLN A 2 -3.824 10.466 3.411 1.00 1.18 C ATOM 25 CG GLN A 2 -2.348 10.731 3.654 1.00 1.83 C ATOM 26 CD GLN A 2 -1.758 9.808 4.704 1.00 2.42 C ATOM 27 OE1 GLN A 2 -1.308 8.703 4.397 1.00 2.91 O ATOM 28 NE2 GLN A 2 -1.735 10.263 5.947 1.00 3.09 N ATOM 0 H GLN A 2 -4.227 13.444 2.300 1.00 0.97 H new ATOM 0 HA GLN A 2 -3.706 11.446 1.527 1.00 0.74 H new ATOM 0 HB2 GLN A 2 -4.369 10.612 4.344 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -3.955 9.422 3.125 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -1.801 10.609 2.719 1.00 1.83 H new ATOM 0 HG3 GLN A 2 -2.215 11.766 3.968 1.00 1.83 H new ATOM 0 HE21 GLN A 2 -2.118 11.184 6.160 1.00 3.09 H new ATOM 0 HE22 GLN A 2 -1.334 9.693 6.692 1.00 3.09 H new ATOM 37 N ASP A 3 -5.724 10.520 0.466 1.00 0.48 N ATOM 38 CA ASP A 3 -6.918 10.052 -0.225 1.00 0.44 C ATOM 39 C ASP A 3 -6.545 8.980 -1.228 1.00 0.32 C ATOM 40 O ASP A 3 -5.403 8.537 -1.257 1.00 0.32 O ATOM 41 CB ASP A 3 -7.612 11.199 -0.958 1.00 0.55 C ATOM 42 CG ASP A 3 -7.931 12.379 -0.063 1.00 1.30 C ATOM 43 OD1 ASP A 3 -8.915 12.312 0.696 1.00 1.97 O ATOM 44 OD2 ASP A 3 -7.193 13.390 -0.125 1.00 1.67 O ATOM 0 H ASP A 3 -4.917 10.664 -0.141 1.00 0.48 H new ATOM 0 HA ASP A 3 -7.601 9.645 0.521 1.00 0.44 H new ATOM 0 HB2 ASP A 3 -6.976 11.535 -1.777 1.00 0.55 H new ATOM 0 HB3 ASP A 3 -8.536 10.830 -1.403 1.00 0.55 H new ATOM 49 N TRP A 4 -7.504 8.586 -2.059 1.00 0.32 N ATOM 50 CA TRP A 4 -7.316 7.500 -3.017 1.00 0.27 C ATOM 51 C TRP A 4 -6.061 7.694 -3.875 1.00 0.24 C ATOM 52 O TRP A 4 -5.272 6.766 -4.043 1.00 0.25 O ATOM 53 CB TRP A 4 -8.555 7.379 -3.906 1.00 0.29 C ATOM 54 CG TRP A 4 -8.447 6.315 -4.955 1.00 0.28 C ATOM 55 CD1 TRP A 4 -8.673 6.464 -6.289 1.00 0.33 C ATOM 56 CD2 TRP A 4 -8.081 4.946 -4.757 1.00 0.23 C ATOM 57 NE1 TRP A 4 -8.478 5.270 -6.935 1.00 0.32 N ATOM 58 CE2 TRP A 4 -8.109 4.323 -6.017 1.00 0.25 C ATOM 59 CE3 TRP A 4 -7.731 4.187 -3.638 1.00 0.20 C ATOM 60 CZ2 TRP A 4 -7.803 2.978 -6.186 1.00 0.24 C ATOM 61 CZ3 TRP A 4 -7.426 2.853 -3.807 1.00 0.20 C ATOM 62 CH2 TRP A 4 -7.464 2.258 -5.074 1.00 0.22 C ATOM 0 H TRP A 4 -8.432 9.009 -2.088 1.00 0.32 H new ATOM 0 HA TRP A 4 -7.176 6.578 -2.452 1.00 0.27 H new ATOM 0 HB2 TRP A 4 -9.422 7.170 -3.279 1.00 0.29 H new ATOM 0 HB3 TRP A 4 -8.737 8.338 -4.392 1.00 0.29 H new ATOM 0 HD1 TRP A 4 -8.963 7.387 -6.768 1.00 0.33 H new ATOM 0 HE1 TRP A 4 -8.590 5.113 -7.937 1.00 0.32 H new ATOM 0 HE3 TRP A 4 -7.700 4.637 -2.657 1.00 0.20 H new ATOM 0 HZ2 TRP A 4 -7.832 2.517 -7.162 1.00 0.24 H new ATOM 0 HZ3 TRP A 4 -7.153 2.257 -2.948 1.00 0.20 H new ATOM 0 HH2 TRP A 4 -7.221 1.211 -5.175 1.00 0.22 H new ATOM 73 N LEU A 5 -5.876 8.895 -4.409 1.00 0.28 N ATOM 74 CA LEU A 5 -4.719 9.186 -5.253 1.00 0.32 C ATOM 75 C LEU A 5 -3.419 9.039 -4.465 1.00 0.32 C ATOM 76 O LEU A 5 -2.445 8.462 -4.949 1.00 0.35 O ATOM 77 CB LEU A 5 -4.822 10.598 -5.843 1.00 0.42 C ATOM 78 CG LEU A 5 -5.851 10.779 -6.968 1.00 0.54 C ATOM 79 CD1 LEU A 5 -5.574 9.811 -8.106 1.00 0.75 C ATOM 80 CD2 LEU A 5 -7.275 10.607 -6.455 1.00 0.84 C ATOM 0 H LEU A 5 -6.510 9.683 -4.274 1.00 0.28 H new ATOM 0 HA LEU A 5 -4.710 8.465 -6.070 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -5.067 11.291 -5.038 1.00 0.42 H new ATOM 0 HB3 LEU A 5 -3.842 10.885 -6.223 1.00 0.42 H new ATOM 0 HG LEU A 5 -5.754 11.797 -7.344 1.00 0.54 H new ATOM 0 HD11 LEU A 5 -6.314 9.954 -8.894 1.00 0.75 H new ATOM 0 HD12 LEU A 5 -4.577 9.996 -8.506 1.00 0.75 H new ATOM 0 HD13 LEU A 5 -5.632 8.788 -7.735 1.00 0.75 H new ATOM 0 HD21 LEU A 5 -7.977 10.742 -7.278 1.00 0.84 H new ATOM 0 HD22 LEU A 5 -7.393 9.607 -6.037 1.00 0.84 H new ATOM 0 HD23 LEU A 5 -7.475 11.349 -5.682 1.00 0.84 H new ATOM 92 N THR A 6 -3.419 9.550 -3.244 1.00 0.34 N ATOM 93 CA THR A 6 -2.270 9.437 -2.361 1.00 0.40 C ATOM 94 C THR A 6 -2.031 7.979 -1.977 1.00 0.35 C ATOM 95 O THR A 6 -0.889 7.512 -1.918 1.00 0.37 O ATOM 96 CB THR A 6 -2.493 10.273 -1.090 1.00 0.52 C ATOM 97 OG1 THR A 6 -2.953 11.581 -1.450 1.00 0.59 O ATOM 98 CG2 THR A 6 -1.213 10.385 -0.277 1.00 0.61 C ATOM 0 H THR A 6 -4.210 10.051 -2.840 1.00 0.34 H new ATOM 0 HA THR A 6 -1.394 9.812 -2.890 1.00 0.40 H new ATOM 0 HB THR A 6 -3.244 9.773 -0.477 1.00 0.52 H new ATOM 0 HG1 THR A 6 -3.096 12.112 -0.639 1.00 0.59 H new ATOM 0 HG21 THR A 6 -1.400 10.981 0.616 1.00 0.61 H new ATOM 0 HG22 THR A 6 -0.879 9.389 0.015 1.00 0.61 H new ATOM 0 HG23 THR A 6 -0.441 10.865 -0.878 1.00 0.61 H new ATOM 106 N PHE A 7 -3.125 7.268 -1.729 1.00 0.29 N ATOM 107 CA PHE A 7 -3.079 5.862 -1.363 1.00 0.26 C ATOM 108 C PHE A 7 -2.461 5.046 -2.488 1.00 0.23 C ATOM 109 O PHE A 7 -1.598 4.204 -2.250 1.00 0.24 O ATOM 110 CB PHE A 7 -4.494 5.354 -1.062 1.00 0.24 C ATOM 111 CG PHE A 7 -4.533 3.973 -0.476 1.00 0.24 C ATOM 112 CD1 PHE A 7 -4.462 2.852 -1.290 1.00 0.22 C ATOM 113 CD2 PHE A 7 -4.638 3.796 0.892 1.00 0.28 C ATOM 114 CE1 PHE A 7 -4.493 1.583 -0.747 1.00 0.23 C ATOM 115 CE2 PHE A 7 -4.669 2.530 1.441 1.00 0.29 C ATOM 116 CZ PHE A 7 -4.597 1.421 0.620 1.00 0.27 C ATOM 0 H PHE A 7 -4.068 7.653 -1.777 1.00 0.29 H new ATOM 0 HA PHE A 7 -2.464 5.750 -0.470 1.00 0.26 H new ATOM 0 HB2 PHE A 7 -4.978 6.045 -0.372 1.00 0.24 H new ATOM 0 HB3 PHE A 7 -5.076 5.364 -1.983 1.00 0.24 H new ATOM 0 HD1 PHE A 7 -4.382 2.973 -2.360 1.00 0.22 H new ATOM 0 HD2 PHE A 7 -4.696 4.659 1.538 1.00 0.28 H new ATOM 0 HE1 PHE A 7 -4.436 0.718 -1.391 1.00 0.23 H new ATOM 0 HE2 PHE A 7 -4.749 2.406 2.511 1.00 0.29 H new ATOM 0 HZ PHE A 7 -4.622 0.429 1.047 1.00 0.27 H new ATOM 126 N GLN A 8 -2.907 5.310 -3.710 1.00 0.23 N ATOM 127 CA GLN A 8 -2.412 4.616 -4.884 1.00 0.24 C ATOM 128 C GLN A 8 -0.908 4.734 -5.021 1.00 0.24 C ATOM 129 O GLN A 8 -0.194 3.733 -5.008 1.00 0.25 O ATOM 130 CB GLN A 8 -3.046 5.182 -6.138 1.00 0.27 C ATOM 131 CG GLN A 8 -4.415 4.620 -6.461 1.00 0.27 C ATOM 132 CD GLN A 8 -4.916 5.083 -7.813 1.00 0.32 C ATOM 133 OE1 GLN A 8 -4.681 4.430 -8.830 1.00 0.61 O ATOM 134 NE2 GLN A 8 -5.598 6.215 -7.838 1.00 0.45 N ATOM 0 H GLN A 8 -3.621 6.010 -3.911 1.00 0.23 H new ATOM 0 HA GLN A 8 -2.675 3.566 -4.761 1.00 0.24 H new ATOM 0 HB2 GLN A 8 -3.128 6.264 -6.032 1.00 0.27 H new ATOM 0 HB3 GLN A 8 -2.382 4.994 -6.982 1.00 0.27 H new ATOM 0 HG2 GLN A 8 -4.373 3.531 -6.444 1.00 0.27 H new ATOM 0 HG3 GLN A 8 -5.122 4.924 -5.689 1.00 0.27 H new ATOM 0 HE21 GLN A 8 -5.771 6.725 -6.972 1.00 0.45 H new ATOM 0 HE22 GLN A 8 -5.951 6.578 -8.723 1.00 0.45 H new ATOM 143 N LYS A 9 -0.439 5.962 -5.151 1.00 0.26 N ATOM 144 CA LYS A 9 0.971 6.231 -5.385 1.00 0.29 C ATOM 145 C LYS A 9 1.843 5.584 -4.313 1.00 0.29 C ATOM 146 O LYS A 9 2.977 5.188 -4.575 1.00 0.33 O ATOM 147 CB LYS A 9 1.193 7.738 -5.425 1.00 0.32 C ATOM 148 CG LYS A 9 0.493 8.406 -6.596 1.00 0.33 C ATOM 149 CD LYS A 9 0.440 9.914 -6.436 1.00 0.67 C ATOM 150 CE LYS A 9 1.824 10.538 -6.417 1.00 1.20 C ATOM 151 NZ LYS A 9 2.577 10.288 -7.676 1.00 1.88 N ATOM 0 H LYS A 9 -1.021 6.798 -5.098 1.00 0.26 H new ATOM 0 HA LYS A 9 1.259 5.797 -6.342 1.00 0.29 H new ATOM 0 HB2 LYS A 9 0.835 8.178 -4.494 1.00 0.32 H new ATOM 0 HB3 LYS A 9 2.262 7.942 -5.483 1.00 0.32 H new ATOM 0 HG2 LYS A 9 1.014 8.157 -7.521 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -0.520 8.014 -6.685 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -0.139 10.344 -7.253 1.00 0.67 H new ATOM 0 HD3 LYS A 9 -0.081 10.161 -5.511 1.00 0.67 H new ATOM 0 HE2 LYS A 9 1.733 11.613 -6.259 1.00 1.20 H new ATOM 0 HE3 LYS A 9 2.388 10.138 -5.574 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 3.439 10.869 -7.686 1.00 1.88 H new ATOM 0 HZ2 LYS A 9 2.836 9.282 -7.732 1.00 1.88 H new ATOM 0 HZ3 LYS A 9 1.982 10.538 -8.492 1.00 1.88 H new ATOM 165 N LYS A 10 1.291 5.456 -3.117 1.00 0.28 N ATOM 166 CA LYS A 10 2.032 4.908 -1.987 1.00 0.30 C ATOM 167 C LYS A 10 1.877 3.394 -1.854 1.00 0.26 C ATOM 168 O LYS A 10 2.808 2.714 -1.435 1.00 0.29 O ATOM 169 CB LYS A 10 1.589 5.568 -0.678 1.00 0.38 C ATOM 170 CG LYS A 10 2.094 6.989 -0.475 1.00 0.63 C ATOM 171 CD LYS A 10 1.489 7.605 0.782 1.00 0.73 C ATOM 172 CE LYS A 10 2.044 8.992 1.072 1.00 1.10 C ATOM 173 NZ LYS A 10 3.464 8.951 1.515 1.00 1.34 N ATOM 0 H LYS A 10 0.331 5.724 -2.901 1.00 0.28 H new ATOM 0 HA LYS A 10 3.083 5.123 -2.182 1.00 0.30 H new ATOM 0 HB2 LYS A 10 0.500 5.576 -0.643 1.00 0.38 H new ATOM 0 HB3 LYS A 10 1.930 4.954 0.155 1.00 0.38 H new ATOM 0 HG2 LYS A 10 3.181 6.986 -0.397 1.00 0.63 H new ATOM 0 HG3 LYS A 10 1.839 7.598 -1.343 1.00 0.63 H new ATOM 0 HD2 LYS A 10 0.407 7.666 0.669 1.00 0.73 H new ATOM 0 HD3 LYS A 10 1.684 6.953 1.633 1.00 0.73 H new ATOM 0 HE2 LYS A 10 1.963 9.608 0.176 1.00 1.10 H new ATOM 0 HE3 LYS A 10 1.439 9.469 1.843 1.00 1.10 H new ATOM 0 HZ1 LYS A 10 3.583 9.551 2.356 1.00 1.34 H new ATOM 0 HZ2 LYS A 10 3.727 7.972 1.748 1.00 1.34 H new ATOM 0 HZ3 LYS A 10 4.076 9.301 0.751 1.00 1.34 H new ATOM 187 N HIS A 11 0.709 2.858 -2.185 1.00 0.25 N ATOM 188 CA HIS A 11 0.411 1.473 -1.819 1.00 0.24 C ATOM 189 C HIS A 11 0.005 0.609 -3.008 1.00 0.23 C ATOM 190 O HIS A 11 -0.263 -0.572 -2.838 1.00 0.26 O ATOM 191 CB HIS A 11 -0.693 1.419 -0.755 1.00 0.26 C ATOM 192 CG HIS A 11 -0.359 2.157 0.506 1.00 0.28 C ATOM 193 ND1 HIS A 11 0.570 1.708 1.423 1.00 0.29 N ATOM 194 CD2 HIS A 11 -0.834 3.328 1.000 1.00 0.35 C ATOM 195 CE1 HIS A 11 0.655 2.571 2.420 1.00 0.34 C ATOM 196 NE2 HIS A 11 -0.186 3.562 2.187 1.00 0.37 N ATOM 0 H HIS A 11 -0.031 3.342 -2.692 1.00 0.25 H new ATOM 0 HA HIS A 11 1.339 1.064 -1.420 1.00 0.24 H new ATOM 0 HB2 HIS A 11 -1.609 1.834 -1.175 1.00 0.26 H new ATOM 0 HB3 HIS A 11 -0.898 0.377 -0.511 1.00 0.26 H new ATOM 0 HD1 HIS A 11 1.107 0.845 1.343 1.00 0.29 H new ATOM 0 HD2 HIS A 11 -1.583 3.959 0.544 1.00 0.35 H new ATOM 0 HE1 HIS A 11 1.303 2.481 3.280 1.00 0.34 H new ATOM 205 N ILE A 12 -0.050 1.176 -4.196 1.00 0.23 N ATOM 206 CA ILE A 12 -0.426 0.404 -5.372 1.00 0.24 C ATOM 207 C ILE A 12 0.782 0.185 -6.277 1.00 0.23 C ATOM 208 O ILE A 12 1.401 1.144 -6.745 1.00 0.30 O ATOM 209 CB ILE A 12 -1.565 1.089 -6.170 1.00 0.28 C ATOM 210 CG1 ILE A 12 -2.813 1.238 -5.292 1.00 0.36 C ATOM 211 CG2 ILE A 12 -1.899 0.307 -7.434 1.00 0.28 C ATOM 212 CD1 ILE A 12 -3.373 -0.074 -4.787 1.00 0.48 C ATOM 0 H ILE A 12 0.158 2.158 -4.376 1.00 0.23 H new ATOM 0 HA ILE A 12 -0.793 -0.561 -5.022 1.00 0.24 H new ATOM 0 HB ILE A 12 -1.220 2.079 -6.467 1.00 0.28 H new ATOM 0 HG12 ILE A 12 -2.570 1.870 -4.438 1.00 0.36 H new ATOM 0 HG13 ILE A 12 -3.585 1.755 -5.861 1.00 0.36 H new ATOM 0 HG21 ILE A 12 -2.701 0.812 -7.973 1.00 0.28 H new ATOM 0 HG22 ILE A 12 -1.016 0.249 -8.070 1.00 0.28 H new ATOM 0 HG23 ILE A 12 -2.220 -0.699 -7.165 1.00 0.28 H new ATOM 0 HD11 ILE A 12 -4.254 0.118 -4.174 1.00 0.48 H new ATOM 0 HD12 ILE A 12 -3.650 -0.701 -5.634 1.00 0.48 H new ATOM 0 HD13 ILE A 12 -2.619 -0.585 -4.188 1.00 0.48 H new ATOM 224 N THR A 13 1.122 -1.076 -6.500 1.00 0.20 N ATOM 225 CA THR A 13 2.219 -1.421 -7.383 1.00 0.21 C ATOM 226 C THR A 13 1.783 -2.515 -8.351 1.00 0.22 C ATOM 227 O THR A 13 0.887 -3.306 -8.051 1.00 0.24 O ATOM 228 CB THR A 13 3.479 -1.875 -6.603 1.00 0.21 C ATOM 229 OG1 THR A 13 4.570 -2.107 -7.507 1.00 0.30 O ATOM 230 CG2 THR A 13 3.217 -3.142 -5.803 1.00 0.21 C ATOM 0 H THR A 13 0.651 -1.877 -6.079 1.00 0.20 H new ATOM 0 HA THR A 13 2.486 -0.522 -7.938 1.00 0.21 H new ATOM 0 HB THR A 13 3.736 -1.074 -5.910 1.00 0.21 H new ATOM 0 HG1 THR A 13 5.065 -2.904 -7.224 1.00 0.30 H new ATOM 0 HG21 THR A 13 4.123 -3.429 -5.270 1.00 0.21 H new ATOM 0 HG22 THR A 13 2.416 -2.961 -5.086 1.00 0.21 H new ATOM 0 HG23 THR A 13 2.924 -3.945 -6.479 1.00 0.21 H new ATOM 238 N ASN A 14 2.413 -2.546 -9.512 1.00 0.28 N ATOM 239 CA ASN A 14 2.074 -3.513 -10.547 1.00 0.33 C ATOM 240 C ASN A 14 3.186 -4.544 -10.686 1.00 0.32 C ATOM 241 O ASN A 14 3.211 -5.329 -11.635 1.00 0.36 O ATOM 242 CB ASN A 14 1.843 -2.804 -11.890 1.00 0.46 C ATOM 243 CG ASN A 14 3.098 -2.140 -12.436 1.00 1.36 C ATOM 244 OD1 ASN A 14 3.973 -1.702 -11.683 1.00 2.20 O ATOM 245 ND2 ASN A 14 3.196 -2.060 -13.751 1.00 2.08 N ATOM 0 H ASN A 14 3.168 -1.908 -9.765 1.00 0.28 H new ATOM 0 HA ASN A 14 1.154 -4.021 -10.258 1.00 0.33 H new ATOM 0 HB2 ASN A 14 1.476 -3.527 -12.618 1.00 0.46 H new ATOM 0 HB3 ASN A 14 1.064 -2.051 -11.768 1.00 0.46 H new ATOM 0 HD21 ASN A 14 4.015 -1.625 -14.176 1.00 2.08 H new ATOM 0 HD22 ASN A 14 2.453 -2.433 -14.341 1.00 2.08 H new ATOM 252 N THR A 15 4.093 -4.543 -9.725 1.00 0.33 N ATOM 253 CA THR A 15 5.205 -5.476 -9.720 1.00 0.36 C ATOM 254 C THR A 15 5.397 -6.063 -8.323 1.00 0.33 C ATOM 255 O THR A 15 5.173 -5.378 -7.322 1.00 0.36 O ATOM 256 CB THR A 15 6.509 -4.786 -10.193 1.00 0.42 C ATOM 257 OG1 THR A 15 7.622 -5.683 -10.085 1.00 0.48 O ATOM 258 CG2 THR A 15 6.790 -3.521 -9.393 1.00 0.43 C ATOM 0 H THR A 15 4.080 -3.901 -8.932 1.00 0.33 H new ATOM 0 HA THR A 15 4.974 -6.283 -10.415 1.00 0.36 H new ATOM 0 HB THR A 15 6.371 -4.509 -11.238 1.00 0.42 H new ATOM 0 HG1 THR A 15 8.316 -5.278 -9.524 1.00 0.48 H new ATOM 0 HG21 THR A 15 7.712 -3.062 -9.750 1.00 0.43 H new ATOM 0 HG22 THR A 15 5.964 -2.821 -9.517 1.00 0.43 H new ATOM 0 HG23 THR A 15 6.896 -3.774 -8.338 1.00 0.43 H new ATOM 266 N ARG A 16 5.783 -7.334 -8.254 1.00 0.32 N ATOM 267 CA ARG A 16 6.058 -7.978 -6.975 1.00 0.31 C ATOM 268 C ARG A 16 7.333 -7.414 -6.379 1.00 0.33 C ATOM 269 O ARG A 16 7.486 -7.327 -5.161 1.00 0.45 O ATOM 270 CB ARG A 16 6.180 -9.493 -7.143 1.00 0.36 C ATOM 271 CG ARG A 16 4.849 -10.189 -7.357 1.00 0.45 C ATOM 272 CD ARG A 16 3.998 -10.151 -6.094 1.00 0.38 C ATOM 273 NE ARG A 16 4.518 -11.034 -5.048 1.00 0.32 N ATOM 274 CZ ARG A 16 4.516 -10.736 -3.749 1.00 0.40 C ATOM 275 NH1 ARG A 16 4.131 -9.530 -3.341 1.00 0.49 N ATOM 276 NH2 ARG A 16 4.930 -11.633 -2.860 1.00 0.51 N ATOM 0 H ARG A 16 5.912 -7.936 -9.067 1.00 0.32 H new ATOM 0 HA ARG A 16 5.226 -7.777 -6.300 1.00 0.31 H new ATOM 0 HB2 ARG A 16 6.832 -9.705 -7.991 1.00 0.36 H new ATOM 0 HB3 ARG A 16 6.661 -9.911 -6.259 1.00 0.36 H new ATOM 0 HG2 ARG A 16 4.312 -9.709 -8.175 1.00 0.45 H new ATOM 0 HG3 ARG A 16 5.020 -11.224 -7.652 1.00 0.45 H new ATOM 0 HD2 ARG A 16 3.957 -9.129 -5.717 1.00 0.38 H new ATOM 0 HD3 ARG A 16 2.976 -10.442 -6.338 1.00 0.38 H new ATOM 0 HE ARG A 16 4.906 -11.934 -5.331 1.00 0.32 H new ATOM 0 HH11 ARG A 16 3.836 -8.831 -4.023 1.00 0.49 H new ATOM 0 HH12 ARG A 16 4.130 -9.304 -2.346 1.00 0.49 H new ATOM 0 HH21 ARG A 16 5.250 -12.550 -3.172 1.00 0.51 H new ATOM 0 HH22 ARG A 16 4.928 -11.404 -1.866 1.00 0.51 H new ATOM 290 N ASP A 17 8.247 -7.033 -7.251 1.00 0.37 N ATOM 291 CA ASP A 17 9.469 -6.390 -6.848 1.00 0.42 C ATOM 292 C ASP A 17 9.400 -4.899 -7.148 1.00 0.36 C ATOM 293 O ASP A 17 9.735 -4.449 -8.246 1.00 0.46 O ATOM 294 CB ASP A 17 10.665 -7.034 -7.552 1.00 0.60 C ATOM 295 CG ASP A 17 10.443 -7.252 -9.037 1.00 1.16 C ATOM 296 OD1 ASP A 17 9.636 -8.138 -9.397 1.00 1.94 O ATOM 297 OD2 ASP A 17 11.096 -6.570 -9.851 1.00 1.40 O ATOM 0 H ASP A 17 8.157 -7.164 -8.259 1.00 0.37 H new ATOM 0 HA ASP A 17 9.599 -6.518 -5.773 1.00 0.42 H new ATOM 0 HB2 ASP A 17 11.543 -6.403 -7.412 1.00 0.60 H new ATOM 0 HB3 ASP A 17 10.883 -7.992 -7.080 1.00 0.60 H new ATOM 302 N VAL A 18 8.910 -4.142 -6.178 1.00 0.31 N ATOM 303 CA VAL A 18 8.843 -2.697 -6.302 1.00 0.29 C ATOM 304 C VAL A 18 10.210 -2.084 -6.012 1.00 0.29 C ATOM 305 O VAL A 18 10.912 -2.519 -5.100 1.00 0.35 O ATOM 306 CB VAL A 18 7.757 -2.084 -5.375 1.00 0.36 C ATOM 307 CG1 VAL A 18 7.764 -2.728 -3.996 1.00 0.53 C ATOM 308 CG2 VAL A 18 7.936 -0.579 -5.252 1.00 0.58 C ATOM 0 H VAL A 18 8.553 -4.507 -5.295 1.00 0.31 H new ATOM 0 HA VAL A 18 8.557 -2.463 -7.327 1.00 0.29 H new ATOM 0 HB VAL A 18 6.790 -2.287 -5.835 1.00 0.36 H new ATOM 0 HG11 VAL A 18 6.991 -2.272 -3.378 1.00 0.53 H new ATOM 0 HG12 VAL A 18 7.569 -3.796 -4.092 1.00 0.53 H new ATOM 0 HG13 VAL A 18 8.737 -2.578 -3.529 1.00 0.53 H new ATOM 0 HG21 VAL A 18 7.164 -0.173 -4.598 1.00 0.58 H new ATOM 0 HG22 VAL A 18 8.918 -0.363 -4.832 1.00 0.58 H new ATOM 0 HG23 VAL A 18 7.854 -0.121 -6.238 1.00 0.58 H new ATOM 318 N ASP A 19 10.595 -1.099 -6.816 1.00 0.34 N ATOM 319 CA ASP A 19 11.884 -0.455 -6.688 1.00 0.41 C ATOM 320 C ASP A 19 11.926 0.453 -5.466 1.00 0.39 C ATOM 321 O ASP A 19 11.896 1.675 -5.599 1.00 0.46 O ATOM 322 CB ASP A 19 12.167 0.364 -7.943 1.00 0.58 C ATOM 323 CG ASP A 19 11.918 -0.406 -9.218 1.00 1.11 C ATOM 324 OD1 ASP A 19 10.774 -0.400 -9.711 1.00 1.91 O ATOM 325 OD2 ASP A 19 12.869 -1.029 -9.729 1.00 1.28 O ATOM 0 H ASP A 19 10.018 -0.730 -7.572 1.00 0.34 H new ATOM 0 HA ASP A 19 12.644 -1.227 -6.566 1.00 0.41 H new ATOM 0 HB2 ASP A 19 11.542 1.257 -7.936 1.00 0.58 H new ATOM 0 HB3 ASP A 19 13.204 0.700 -7.925 1.00 0.58 H new ATOM 330 N CYS A 20 11.973 -0.149 -4.286 1.00 0.38 N ATOM 331 CA CYS A 20 12.011 0.599 -3.034 1.00 0.40 C ATOM 332 C CYS A 20 13.110 1.660 -3.057 1.00 0.38 C ATOM 333 O CYS A 20 12.864 2.823 -2.757 1.00 0.39 O ATOM 334 CB CYS A 20 12.245 -0.348 -1.859 1.00 0.51 C ATOM 335 SG CYS A 20 11.375 -1.944 -1.999 1.00 0.93 S ATOM 0 H CYS A 20 11.986 -1.162 -4.168 1.00 0.38 H new ATOM 0 HA CYS A 20 11.049 1.097 -2.916 1.00 0.40 H new ATOM 0 HB2 CYS A 20 13.315 -0.537 -1.767 1.00 0.51 H new ATOM 0 HB3 CYS A 20 11.928 0.146 -0.940 1.00 0.51 H new ATOM 340 N ASP A 21 14.310 1.242 -3.444 1.00 0.47 N ATOM 341 CA ASP A 21 15.490 2.111 -3.460 1.00 0.59 C ATOM 342 C ASP A 21 15.235 3.423 -4.204 1.00 0.53 C ATOM 343 O ASP A 21 15.636 4.491 -3.751 1.00 0.64 O ATOM 344 CB ASP A 21 16.665 1.370 -4.104 1.00 0.85 C ATOM 345 CG ASP A 21 17.941 2.188 -4.129 1.00 1.36 C ATOM 346 OD1 ASP A 21 18.695 2.150 -3.131 1.00 1.66 O ATOM 347 OD2 ASP A 21 18.208 2.850 -5.150 1.00 2.26 O ATOM 0 H ASP A 21 14.497 0.289 -3.757 1.00 0.47 H new ATOM 0 HA ASP A 21 15.726 2.364 -2.426 1.00 0.59 H new ATOM 0 HB2 ASP A 21 16.845 0.443 -3.559 1.00 0.85 H new ATOM 0 HB3 ASP A 21 16.398 1.093 -5.124 1.00 0.85 H new ATOM 352 N ASN A 22 14.546 3.340 -5.333 1.00 0.50 N ATOM 353 CA ASN A 22 14.339 4.510 -6.180 1.00 0.49 C ATOM 354 C ASN A 22 13.006 5.180 -5.871 1.00 0.42 C ATOM 355 O ASN A 22 12.941 6.391 -5.666 1.00 0.43 O ATOM 356 CB ASN A 22 14.393 4.102 -7.656 1.00 0.59 C ATOM 357 CG ASN A 22 14.613 5.277 -8.594 1.00 0.69 C ATOM 358 OD1 ASN A 22 14.210 6.406 -8.314 1.00 1.07 O ATOM 359 ND2 ASN A 22 15.263 5.018 -9.718 1.00 1.14 N ATOM 0 H ASN A 22 14.122 2.481 -5.684 1.00 0.50 H new ATOM 0 HA ASN A 22 15.135 5.226 -5.975 1.00 0.49 H new ATOM 0 HB2 ASN A 22 15.195 3.378 -7.797 1.00 0.59 H new ATOM 0 HB3 ASN A 22 13.462 3.602 -7.922 1.00 0.59 H new ATOM 0 HD21 ASN A 22 15.445 5.767 -10.386 1.00 1.14 H new ATOM 0 HD22 ASN A 22 15.582 4.070 -9.916 1.00 1.14 H new ATOM 366 N ILE A 23 11.951 4.383 -5.820 1.00 0.40 N ATOM 367 CA ILE A 23 10.603 4.899 -5.631 1.00 0.38 C ATOM 368 C ILE A 23 10.455 5.606 -4.282 1.00 0.33 C ATOM 369 O ILE A 23 9.793 6.637 -4.190 1.00 0.34 O ATOM 370 CB ILE A 23 9.549 3.771 -5.765 1.00 0.39 C ATOM 371 CG1 ILE A 23 9.587 3.198 -7.186 1.00 0.45 C ATOM 372 CG2 ILE A 23 8.148 4.275 -5.428 1.00 0.40 C ATOM 373 CD1 ILE A 23 8.590 2.086 -7.430 1.00 0.48 C ATOM 0 H ILE A 23 12.002 3.368 -5.908 1.00 0.40 H new ATOM 0 HA ILE A 23 10.427 5.633 -6.418 1.00 0.38 H new ATOM 0 HB ILE A 23 9.794 2.984 -5.052 1.00 0.39 H new ATOM 0 HG12 ILE A 23 9.398 4.003 -7.896 1.00 0.45 H new ATOM 0 HG13 ILE A 23 10.590 2.823 -7.388 1.00 0.45 H new ATOM 0 HG21 ILE A 23 7.433 3.459 -5.532 1.00 0.40 H new ATOM 0 HG22 ILE A 23 8.131 4.644 -4.402 1.00 0.40 H new ATOM 0 HG23 ILE A 23 7.878 5.083 -6.109 1.00 0.40 H new ATOM 0 HD11 ILE A 23 8.681 1.735 -8.458 1.00 0.48 H new ATOM 0 HD12 ILE A 23 8.790 1.261 -6.746 1.00 0.48 H new ATOM 0 HD13 ILE A 23 7.580 2.460 -7.262 1.00 0.48 H new ATOM 385 N LEU A 24 11.108 5.085 -3.248 1.00 0.30 N ATOM 386 CA LEU A 24 10.968 5.653 -1.908 1.00 0.29 C ATOM 387 C LEU A 24 11.838 6.893 -1.738 1.00 0.32 C ATOM 388 O LEU A 24 11.703 7.624 -0.755 1.00 0.33 O ATOM 389 CB LEU A 24 11.324 4.626 -0.831 1.00 0.31 C ATOM 390 CG LEU A 24 10.621 3.269 -0.950 1.00 0.38 C ATOM 391 CD1 LEU A 24 10.987 2.375 0.214 1.00 1.03 C ATOM 392 CD2 LEU A 24 9.119 3.427 -1.023 1.00 1.01 C ATOM 0 H LEU A 24 11.732 4.281 -3.308 1.00 0.30 H new ATOM 0 HA LEU A 24 9.923 5.939 -1.790 1.00 0.29 H new ATOM 0 HB2 LEU A 24 12.401 4.460 -0.855 1.00 0.31 H new ATOM 0 HB3 LEU A 24 11.089 5.052 0.144 1.00 0.31 H new ATOM 0 HG LEU A 24 10.961 2.806 -1.877 1.00 0.38 H new ATOM 0 HD11 LEU A 24 10.478 1.417 0.111 1.00 1.03 H new ATOM 0 HD12 LEU A 24 12.065 2.214 0.224 1.00 1.03 H new ATOM 0 HD13 LEU A 24 10.682 2.849 1.147 1.00 1.03 H new ATOM 0 HD21 LEU A 24 8.653 2.445 -1.107 1.00 1.01 H new ATOM 0 HD22 LEU A 24 8.761 3.923 -0.121 1.00 1.01 H new ATOM 0 HD23 LEU A 24 8.858 4.028 -1.894 1.00 1.01 H new ATOM 404 N SER A 25 12.718 7.135 -2.704 1.00 0.36 N ATOM 405 CA SER A 25 13.604 8.290 -2.651 1.00 0.41 C ATOM 406 C SER A 25 12.892 9.544 -3.152 1.00 0.42 C ATOM 407 O SER A 25 13.469 10.631 -3.171 1.00 0.49 O ATOM 408 CB SER A 25 14.867 8.041 -3.476 1.00 0.50 C ATOM 409 OG SER A 25 15.683 7.044 -2.883 1.00 1.28 O ATOM 0 H SER A 25 12.836 6.548 -3.530 1.00 0.36 H new ATOM 0 HA SER A 25 13.890 8.445 -1.611 1.00 0.41 H new ATOM 0 HB2 SER A 25 14.590 7.734 -4.485 1.00 0.50 H new ATOM 0 HB3 SER A 25 15.432 8.969 -3.568 1.00 0.50 H new ATOM 0 HG SER A 25 15.687 6.245 -3.450 1.00 1.28 H new ATOM 415 N THR A 26 11.640 9.391 -3.561 1.00 0.41 N ATOM 416 CA THR A 26 10.840 10.521 -3.999 1.00 0.46 C ATOM 417 C THR A 26 10.264 11.252 -2.792 1.00 0.45 C ATOM 418 O THR A 26 10.278 10.721 -1.679 1.00 0.45 O ATOM 419 CB THR A 26 9.684 10.071 -4.913 1.00 0.49 C ATOM 420 OG1 THR A 26 8.843 9.141 -4.217 1.00 0.44 O ATOM 421 CG2 THR A 26 10.218 9.432 -6.186 1.00 0.56 C ATOM 0 H THR A 26 11.158 8.493 -3.598 1.00 0.41 H new ATOM 0 HA THR A 26 11.492 11.188 -4.564 1.00 0.46 H new ATOM 0 HB THR A 26 9.101 10.950 -5.187 1.00 0.49 H new ATOM 0 HG1 THR A 26 9.068 8.228 -4.492 1.00 0.44 H new ATOM 0 HG21 THR A 26 9.384 9.122 -6.815 1.00 0.56 H new ATOM 0 HG22 THR A 26 10.831 10.154 -6.726 1.00 0.56 H new ATOM 0 HG23 THR A 26 10.822 8.562 -5.930 1.00 0.56 H new ATOM 429 N ASN A 27 9.737 12.450 -3.008 1.00 0.49 N ATOM 430 CA ASN A 27 9.133 13.220 -1.921 1.00 0.52 C ATOM 431 C ASN A 27 7.826 12.562 -1.487 1.00 0.52 C ATOM 432 O ASN A 27 7.291 12.845 -0.417 1.00 0.67 O ATOM 433 CB ASN A 27 8.890 14.671 -2.352 1.00 0.61 C ATOM 434 CG ASN A 27 8.449 15.559 -1.202 1.00 0.87 C ATOM 435 OD1 ASN A 27 9.278 16.072 -0.452 1.00 1.46 O ATOM 436 ND2 ASN A 27 7.148 15.766 -1.071 1.00 1.53 N ATOM 0 H ASN A 27 9.714 12.910 -3.918 1.00 0.49 H new ATOM 0 HA ASN A 27 9.821 13.233 -1.075 1.00 0.52 H new ATOM 0 HB2 ASN A 27 9.805 15.074 -2.787 1.00 0.61 H new ATOM 0 HB3 ASN A 27 8.130 14.691 -3.133 1.00 0.61 H new ATOM 0 HD21 ASN A 27 6.800 16.370 -0.327 1.00 1.53 H new ATOM 0 HD22 ASN A 27 6.493 15.321 -1.715 1.00 1.53 H new ATOM 443 N LEU A 28 7.343 11.660 -2.332 1.00 0.48 N ATOM 444 CA LEU A 28 6.138 10.887 -2.063 1.00 0.47 C ATOM 445 C LEU A 28 6.332 9.973 -0.855 1.00 0.45 C ATOM 446 O LEU A 28 5.368 9.557 -0.216 1.00 0.52 O ATOM 447 CB LEU A 28 5.786 10.058 -3.301 1.00 0.47 C ATOM 448 CG LEU A 28 4.561 9.153 -3.175 1.00 0.49 C ATOM 449 CD1 LEU A 28 3.299 9.977 -2.980 1.00 0.51 C ATOM 450 CD2 LEU A 28 4.441 8.272 -4.407 1.00 0.51 C ATOM 0 H LEU A 28 7.779 11.443 -3.228 1.00 0.48 H new ATOM 0 HA LEU A 28 5.322 11.573 -1.835 1.00 0.47 H new ATOM 0 HB2 LEU A 28 5.625 10.739 -4.136 1.00 0.47 H new ATOM 0 HB3 LEU A 28 6.646 9.439 -3.556 1.00 0.47 H new ATOM 0 HG LEU A 28 4.685 8.517 -2.298 1.00 0.49 H new ATOM 0 HD11 LEU A 28 2.440 9.312 -2.893 1.00 0.51 H new ATOM 0 HD12 LEU A 28 3.390 10.573 -2.072 1.00 0.51 H new ATOM 0 HD13 LEU A 28 3.160 10.638 -3.835 1.00 0.51 H new ATOM 0 HD21 LEU A 28 3.566 7.629 -4.311 1.00 0.51 H new ATOM 0 HD22 LEU A 28 4.336 8.898 -5.293 1.00 0.51 H new ATOM 0 HD23 LEU A 28 5.335 7.656 -4.502 1.00 0.51 H new ATOM 462 N PHE A 29 7.582 9.648 -0.551 1.00 0.42 N ATOM 463 CA PHE A 29 7.889 8.822 0.608 1.00 0.40 C ATOM 464 C PHE A 29 8.890 9.520 1.515 1.00 0.42 C ATOM 465 O PHE A 29 8.835 9.373 2.737 1.00 0.48 O ATOM 466 CB PHE A 29 8.434 7.461 0.174 1.00 0.36 C ATOM 467 CG PHE A 29 7.465 6.676 -0.659 1.00 0.36 C ATOM 468 CD1 PHE A 29 6.460 5.941 -0.059 1.00 0.41 C ATOM 469 CD2 PHE A 29 7.567 6.664 -2.039 1.00 0.36 C ATOM 470 CE1 PHE A 29 5.570 5.210 -0.818 1.00 0.44 C ATOM 471 CE2 PHE A 29 6.682 5.933 -2.803 1.00 0.39 C ATOM 472 CZ PHE A 29 5.664 5.240 -2.206 1.00 0.42 C ATOM 0 H PHE A 29 8.397 9.943 -1.089 1.00 0.42 H new ATOM 0 HA PHE A 29 6.965 8.665 1.164 1.00 0.40 H new ATOM 0 HB2 PHE A 29 9.354 7.609 -0.392 1.00 0.36 H new ATOM 0 HB3 PHE A 29 8.694 6.882 1.060 1.00 0.36 H new ATOM 0 HD1 PHE A 29 6.370 5.939 1.017 1.00 0.41 H new ATOM 0 HD2 PHE A 29 8.347 7.233 -2.522 1.00 0.36 H new ATOM 0 HE1 PHE A 29 4.805 4.618 -0.338 1.00 0.44 H new ATOM 0 HE2 PHE A 29 6.793 5.907 -3.877 1.00 0.39 H new ATOM 0 HZ PHE A 29 4.936 4.718 -2.810 1.00 0.42 H new ATOM 482 N HIS A 30 9.813 10.263 0.900 1.00 0.43 N ATOM 483 CA HIS A 30 10.806 11.058 1.623 1.00 0.52 C ATOM 484 C HIS A 30 11.717 10.147 2.445 1.00 0.45 C ATOM 485 O HIS A 30 12.205 10.528 3.509 1.00 0.48 O ATOM 486 CB HIS A 30 10.103 12.085 2.522 1.00 0.70 C ATOM 487 CG HIS A 30 10.878 13.350 2.721 1.00 1.23 C ATOM 488 ND1 HIS A 30 10.995 13.980 3.940 1.00 1.78 N ATOM 489 CD2 HIS A 30 11.547 14.124 1.836 1.00 2.07 C ATOM 490 CE1 HIS A 30 11.704 15.084 3.796 1.00 2.74 C ATOM 491 NE2 HIS A 30 12.052 15.193 2.528 1.00 2.97 N ATOM 0 H HIS A 30 9.892 10.330 -0.115 1.00 0.43 H new ATOM 0 HA HIS A 30 11.424 11.596 0.904 1.00 0.52 H new ATOM 0 HB2 HIS A 30 9.133 12.329 2.088 1.00 0.70 H new ATOM 0 HB3 HIS A 30 9.912 11.631 3.494 1.00 0.70 H new ATOM 0 HD2 HIS A 30 11.662 13.934 0.779 1.00 2.07 H new ATOM 0 HE1 HIS A 30 11.956 15.780 4.582 1.00 2.74 H new ATOM 0 HE2 HIS A 30 12.607 15.950 2.128 1.00 2.97 H new ATOM 500 N CYS A 31 11.958 8.952 1.906 1.00 0.44 N ATOM 501 CA CYS A 31 12.732 7.911 2.580 1.00 0.45 C ATOM 502 C CYS A 31 12.191 7.618 3.983 1.00 0.40 C ATOM 503 O CYS A 31 12.925 7.674 4.975 1.00 0.47 O ATOM 504 CB CYS A 31 14.226 8.261 2.634 1.00 0.62 C ATOM 505 SG CYS A 31 14.981 8.547 1.001 1.00 1.10 S ATOM 0 H CYS A 31 11.619 8.678 0.984 1.00 0.44 H new ATOM 0 HA CYS A 31 12.622 7.004 1.986 1.00 0.45 H new ATOM 0 HB2 CYS A 31 14.357 9.154 3.245 1.00 0.62 H new ATOM 0 HB3 CYS A 31 14.760 7.452 3.133 1.00 0.62 H new ATOM 510 N LYS A 32 10.893 7.304 4.054 1.00 0.39 N ATOM 511 CA LYS A 32 10.262 6.858 5.298 1.00 0.43 C ATOM 512 C LYS A 32 10.864 5.524 5.753 1.00 0.45 C ATOM 513 O LYS A 32 11.604 4.883 5.003 1.00 0.55 O ATOM 514 CB LYS A 32 8.743 6.708 5.103 1.00 0.50 C ATOM 515 CG LYS A 32 8.315 5.388 4.469 1.00 0.53 C ATOM 516 CD LYS A 32 8.838 5.220 3.052 1.00 0.90 C ATOM 517 CE LYS A 32 8.951 3.757 2.674 1.00 2.05 C ATOM 518 NZ LYS A 32 9.928 3.044 3.540 1.00 2.72 N ATOM 0 H LYS A 32 10.257 7.351 3.258 1.00 0.39 H new ATOM 0 HA LYS A 32 10.447 7.608 6.067 1.00 0.43 H new ATOM 0 HB2 LYS A 32 8.253 6.807 6.072 1.00 0.50 H new ATOM 0 HB3 LYS A 32 8.386 7.528 4.480 1.00 0.50 H new ATOM 0 HG2 LYS A 32 8.672 4.562 5.084 1.00 0.53 H new ATOM 0 HG3 LYS A 32 7.227 5.331 4.459 1.00 0.53 H new ATOM 0 HD2 LYS A 32 8.172 5.727 2.354 1.00 0.90 H new ATOM 0 HD3 LYS A 32 9.814 5.697 2.964 1.00 0.90 H new ATOM 0 HE2 LYS A 32 7.974 3.282 2.759 1.00 2.05 H new ATOM 0 HE3 LYS A 32 9.258 3.672 1.631 1.00 2.05 H new ATOM 0 HZ1 LYS A 32 9.684 2.034 3.580 1.00 2.72 H new ATOM 0 HZ2 LYS A 32 10.885 3.154 3.147 1.00 2.72 H new ATOM 0 HZ3 LYS A 32 9.899 3.445 4.499 1.00 2.72 H new ATOM 532 N ASP A 33 10.522 5.085 6.958 1.00 0.49 N ATOM 533 CA ASP A 33 11.084 3.852 7.506 1.00 0.54 C ATOM 534 C ASP A 33 10.624 2.631 6.701 1.00 0.48 C ATOM 535 O ASP A 33 11.443 1.898 6.156 1.00 0.51 O ATOM 536 CB ASP A 33 10.725 3.699 8.997 1.00 0.66 C ATOM 537 CG ASP A 33 9.247 3.446 9.251 1.00 1.28 C ATOM 538 OD1 ASP A 33 8.406 4.138 8.641 1.00 1.57 O ATOM 539 OD2 ASP A 33 8.922 2.545 10.058 1.00 2.06 O ATOM 0 H ASP A 33 9.862 5.560 7.574 1.00 0.49 H new ATOM 0 HA ASP A 33 12.169 3.914 7.426 1.00 0.54 H new ATOM 0 HB2 ASP A 33 11.302 2.875 9.417 1.00 0.66 H new ATOM 0 HB3 ASP A 33 11.026 4.602 9.528 1.00 0.66 H new ATOM 544 N LYS A 34 9.316 2.448 6.569 1.00 0.44 N ATOM 545 CA LYS A 34 8.779 1.281 5.871 1.00 0.41 C ATOM 546 C LYS A 34 7.488 1.614 5.138 1.00 0.38 C ATOM 547 O LYS A 34 6.883 2.657 5.375 1.00 0.43 O ATOM 548 CB LYS A 34 8.574 0.106 6.840 1.00 0.48 C ATOM 549 CG LYS A 34 7.846 0.448 8.136 1.00 0.95 C ATOM 550 CD LYS A 34 6.362 0.699 7.930 1.00 1.27 C ATOM 551 CE LYS A 34 5.662 1.011 9.243 1.00 1.96 C ATOM 552 NZ LYS A 34 6.177 2.258 9.867 1.00 2.60 N ATOM 0 H LYS A 34 8.609 3.087 6.933 1.00 0.44 H new ATOM 0 HA LYS A 34 9.513 0.980 5.123 1.00 0.41 H new ATOM 0 HB2 LYS A 34 8.016 -0.675 6.324 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.549 -0.312 7.090 1.00 0.48 H new ATOM 0 HG2 LYS A 34 7.976 -0.368 8.847 1.00 0.95 H new ATOM 0 HG3 LYS A 34 8.301 1.333 8.580 1.00 0.95 H new ATOM 0 HD2 LYS A 34 6.225 1.529 7.237 1.00 1.27 H new ATOM 0 HD3 LYS A 34 5.904 -0.177 7.472 1.00 1.27 H new ATOM 0 HE2 LYS A 34 4.591 1.109 9.068 1.00 1.96 H new ATOM 0 HE3 LYS A 34 5.797 0.178 9.933 1.00 1.96 H new ATOM 0 HZ1 LYS A 34 5.616 2.479 10.715 1.00 2.60 H new ATOM 0 HZ2 LYS A 34 7.173 2.126 10.135 1.00 2.60 H new ATOM 0 HZ3 LYS A 34 6.102 3.042 9.188 1.00 2.60 H new ATOM 566 N ASN A 35 7.095 0.736 4.224 1.00 0.37 N ATOM 567 CA ASN A 35 5.868 0.909 3.454 1.00 0.36 C ATOM 568 C ASN A 35 5.453 -0.411 2.824 1.00 0.34 C ATOM 569 O ASN A 35 6.284 -1.121 2.262 1.00 0.38 O ATOM 570 CB ASN A 35 6.052 1.939 2.339 1.00 0.36 C ATOM 571 CG ASN A 35 4.757 2.202 1.596 1.00 0.38 C ATOM 572 OD1 ASN A 35 3.672 2.155 2.175 1.00 0.75 O ATOM 573 ND2 ASN A 35 4.860 2.446 0.306 1.00 0.35 N ATOM 0 H ASN A 35 7.614 -0.112 3.996 1.00 0.37 H new ATOM 0 HA ASN A 35 5.099 1.259 4.142 1.00 0.36 H new ATOM 0 HB2 ASN A 35 6.423 2.872 2.764 1.00 0.36 H new ATOM 0 HB3 ASN A 35 6.808 1.585 1.638 1.00 0.36 H new ATOM 0 HD21 ASN A 35 4.021 2.605 -0.252 1.00 0.35 H new ATOM 0 HD22 ASN A 35 5.779 2.476 -0.136 1.00 0.35 H new ATOM 580 N THR A 36 4.175 -0.732 2.910 1.00 0.32 N ATOM 581 CA THR A 36 3.655 -1.946 2.312 1.00 0.30 C ATOM 582 C THR A 36 2.940 -1.631 0.998 1.00 0.26 C ATOM 583 O THR A 36 1.948 -0.891 0.979 1.00 0.28 O ATOM 584 CB THR A 36 2.678 -2.655 3.269 1.00 0.36 C ATOM 585 OG1 THR A 36 3.263 -2.754 4.577 1.00 0.45 O ATOM 586 CG2 THR A 36 2.337 -4.047 2.761 1.00 0.37 C ATOM 0 H THR A 36 3.476 -0.165 3.391 1.00 0.32 H new ATOM 0 HA THR A 36 4.498 -2.608 2.114 1.00 0.30 H new ATOM 0 HB THR A 36 1.761 -2.067 3.319 1.00 0.36 H new ATOM 0 HG1 THR A 36 4.236 -2.834 4.495 1.00 0.45 H new ATOM 0 HG21 THR A 36 1.646 -4.528 3.453 1.00 0.37 H new ATOM 0 HG22 THR A 36 1.872 -3.972 1.778 1.00 0.37 H new ATOM 0 HG23 THR A 36 3.248 -4.641 2.687 1.00 0.37 H new ATOM 594 N PHE A 37 3.467 -2.163 -0.098 1.00 0.21 N ATOM 595 CA PHE A 37 2.848 -2.000 -1.403 1.00 0.18 C ATOM 596 C PHE A 37 1.961 -3.200 -1.709 1.00 0.18 C ATOM 597 O PHE A 37 2.241 -4.321 -1.280 1.00 0.21 O ATOM 598 CB PHE A 37 3.903 -1.856 -2.503 1.00 0.17 C ATOM 599 CG PHE A 37 4.804 -0.657 -2.365 1.00 0.17 C ATOM 600 CD1 PHE A 37 5.887 -0.676 -1.495 1.00 0.19 C ATOM 601 CD2 PHE A 37 4.549 0.502 -3.082 1.00 0.19 C ATOM 602 CE1 PHE A 37 6.689 0.434 -1.345 1.00 0.21 C ATOM 603 CE2 PHE A 37 5.355 1.612 -2.939 1.00 0.20 C ATOM 604 CZ PHE A 37 6.505 1.526 -2.157 1.00 0.20 C ATOM 0 H PHE A 37 4.326 -2.713 -0.106 1.00 0.21 H new ATOM 0 HA PHE A 37 2.247 -1.091 -1.379 1.00 0.18 H new ATOM 0 HB2 PHE A 37 4.519 -2.755 -2.516 1.00 0.17 H new ATOM 0 HB3 PHE A 37 3.397 -1.803 -3.467 1.00 0.17 H new ATOM 0 HD1 PHE A 37 6.103 -1.571 -0.930 1.00 0.19 H new ATOM 0 HD2 PHE A 37 3.709 0.536 -3.760 1.00 0.19 H new ATOM 0 HE1 PHE A 37 7.461 0.445 -0.590 1.00 0.21 H new ATOM 0 HE2 PHE A 37 5.097 2.539 -3.429 1.00 0.20 H new ATOM 0 HZ PHE A 37 7.245 2.312 -2.189 1.00 0.20 H new ATOM 614 N ILE A 38 0.898 -2.953 -2.448 1.00 0.18 N ATOM 615 CA ILE A 38 -0.056 -3.984 -2.806 1.00 0.17 C ATOM 616 C ILE A 38 0.074 -4.331 -4.283 1.00 0.17 C ATOM 617 O ILE A 38 -0.137 -3.478 -5.146 1.00 0.18 O ATOM 618 CB ILE A 38 -1.498 -3.510 -2.525 1.00 0.18 C ATOM 619 CG1 ILE A 38 -1.624 -3.050 -1.071 1.00 0.20 C ATOM 620 CG2 ILE A 38 -2.498 -4.621 -2.829 1.00 0.17 C ATOM 621 CD1 ILE A 38 -2.864 -2.229 -0.796 1.00 0.22 C ATOM 0 H ILE A 38 0.671 -2.030 -2.818 1.00 0.18 H new ATOM 0 HA ILE A 38 0.157 -4.866 -2.202 1.00 0.17 H new ATOM 0 HB ILE A 38 -1.723 -2.667 -3.178 1.00 0.18 H new ATOM 0 HG12 ILE A 38 -1.628 -3.926 -0.422 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.745 -2.462 -0.808 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -3.508 -4.267 -2.625 1.00 0.17 H new ATOM 0 HG22 ILE A 38 -2.418 -4.905 -3.878 1.00 0.17 H new ATOM 0 HG23 ILE A 38 -2.283 -5.486 -2.202 1.00 0.17 H new ATOM 0 HD11 ILE A 38 -2.883 -1.940 0.255 1.00 0.22 H new ATOM 0 HD12 ILE A 38 -2.853 -1.334 -1.418 1.00 0.22 H new ATOM 0 HD13 ILE A 38 -3.750 -2.820 -1.026 1.00 0.22 H new ATOM 633 N TYR A 39 0.448 -5.571 -4.570 1.00 0.16 N ATOM 634 CA TYR A 39 0.504 -6.044 -5.944 1.00 0.17 C ATOM 635 C TYR A 39 -0.893 -6.434 -6.405 1.00 0.18 C ATOM 636 O TYR A 39 -1.336 -7.573 -6.229 1.00 0.18 O ATOM 637 CB TYR A 39 1.477 -7.221 -6.084 1.00 0.20 C ATOM 638 CG TYR A 39 1.490 -7.855 -7.458 1.00 0.23 C ATOM 639 CD1 TYR A 39 1.950 -7.159 -8.569 1.00 0.26 C ATOM 640 CD2 TYR A 39 1.056 -9.162 -7.639 1.00 0.29 C ATOM 641 CE1 TYR A 39 1.975 -7.749 -9.818 1.00 0.31 C ATOM 642 CE2 TYR A 39 1.077 -9.756 -8.883 1.00 0.34 C ATOM 643 CZ TYR A 39 1.536 -9.047 -9.969 1.00 0.35 C ATOM 644 OH TYR A 39 1.574 -9.643 -11.209 1.00 0.40 O ATOM 0 H TYR A 39 0.716 -6.264 -3.871 1.00 0.16 H new ATOM 0 HA TYR A 39 0.875 -5.239 -6.579 1.00 0.17 H new ATOM 0 HB2 TYR A 39 2.483 -6.876 -5.846 1.00 0.20 H new ATOM 0 HB3 TYR A 39 1.218 -7.982 -5.348 1.00 0.20 H new ATOM 0 HD1 TYR A 39 2.293 -6.141 -8.455 1.00 0.26 H new ATOM 0 HD2 TYR A 39 0.695 -9.723 -6.790 1.00 0.29 H new ATOM 0 HE1 TYR A 39 2.337 -7.196 -10.672 1.00 0.31 H new ATOM 0 HE2 TYR A 39 0.735 -10.773 -9.004 1.00 0.34 H new ATOM 0 HH TYR A 39 1.230 -10.558 -11.143 1.00 0.40 H new ATOM 654 N SER A 40 -1.586 -5.453 -6.949 1.00 0.23 N ATOM 655 CA SER A 40 -2.946 -5.608 -7.426 1.00 0.26 C ATOM 656 C SER A 40 -3.355 -4.315 -8.108 1.00 0.29 C ATOM 657 O SER A 40 -2.791 -3.259 -7.818 1.00 0.50 O ATOM 658 CB SER A 40 -3.896 -5.921 -6.257 1.00 0.25 C ATOM 659 OG SER A 40 -5.232 -6.102 -6.700 1.00 0.93 O ATOM 0 H SER A 40 -1.214 -4.511 -7.074 1.00 0.23 H new ATOM 0 HA SER A 40 -3.002 -6.439 -8.129 1.00 0.26 H new ATOM 0 HB2 SER A 40 -3.558 -6.821 -5.744 1.00 0.25 H new ATOM 0 HB3 SER A 40 -3.860 -5.108 -5.531 1.00 0.25 H new ATOM 0 HG SER A 40 -5.807 -6.301 -5.932 1.00 0.93 H new ATOM 665 N ARG A 41 -4.307 -4.382 -9.022 1.00 0.25 N ATOM 666 CA ARG A 41 -4.775 -3.178 -9.672 1.00 0.27 C ATOM 667 C ARG A 41 -5.555 -2.310 -8.702 1.00 0.22 C ATOM 668 O ARG A 41 -6.189 -2.804 -7.768 1.00 0.23 O ATOM 669 CB ARG A 41 -5.628 -3.488 -10.900 1.00 0.33 C ATOM 670 CG ARG A 41 -4.829 -3.980 -12.088 1.00 0.54 C ATOM 671 CD ARG A 41 -3.897 -2.895 -12.590 1.00 1.08 C ATOM 672 NE ARG A 41 -3.145 -3.304 -13.768 1.00 1.30 N ATOM 673 CZ ARG A 41 -2.852 -2.488 -14.776 1.00 2.21 C ATOM 674 NH1 ARG A 41 -3.301 -1.235 -14.770 1.00 2.92 N ATOM 675 NH2 ARG A 41 -2.126 -2.932 -15.791 1.00 2.66 N ATOM 0 H ARG A 41 -4.762 -5.243 -9.325 1.00 0.25 H new ATOM 0 HA ARG A 41 -3.893 -2.632 -10.007 1.00 0.27 H new ATOM 0 HB2 ARG A 41 -6.370 -4.241 -10.635 1.00 0.33 H new ATOM 0 HB3 ARG A 41 -6.175 -2.590 -11.188 1.00 0.33 H new ATOM 0 HG2 ARG A 41 -4.252 -4.861 -11.806 1.00 0.54 H new ATOM 0 HG3 ARG A 41 -5.505 -4.285 -12.887 1.00 0.54 H new ATOM 0 HD2 ARG A 41 -4.477 -2.003 -12.826 1.00 1.08 H new ATOM 0 HD3 ARG A 41 -3.202 -2.622 -11.796 1.00 1.08 H new ATOM 0 HE ARG A 41 -2.825 -4.271 -13.823 1.00 1.30 H new ATOM 0 HH11 ARG A 41 -3.870 -0.901 -13.992 1.00 2.92 H new ATOM 0 HH12 ARG A 41 -3.076 -0.609 -15.543 1.00 2.92 H new ATOM 0 HH21 ARG A 41 -1.794 -3.896 -15.797 1.00 2.66 H new ATOM 0 HH22 ARG A 41 -1.899 -2.309 -16.566 1.00 2.66 H new ATOM 689 N PRO A 42 -5.498 -1.001 -8.925 1.00 0.22 N ATOM 690 CA PRO A 42 -6.215 -0.020 -8.124 1.00 0.21 C ATOM 691 C PRO A 42 -7.719 -0.276 -8.107 1.00 0.20 C ATOM 692 O PRO A 42 -8.377 -0.054 -7.094 1.00 0.23 O ATOM 693 CB PRO A 42 -5.901 1.322 -8.800 1.00 0.24 C ATOM 694 CG PRO A 42 -5.275 0.989 -10.111 1.00 0.25 C ATOM 695 CD PRO A 42 -4.700 -0.388 -9.984 1.00 0.30 C ATOM 0 HA PRO A 42 -5.907 -0.055 -7.079 1.00 0.21 H new ATOM 0 HB2 PRO A 42 -6.808 1.910 -8.940 1.00 0.24 H new ATOM 0 HB3 PRO A 42 -5.226 1.919 -8.186 1.00 0.24 H new ATOM 0 HG2 PRO A 42 -6.014 1.026 -10.912 1.00 0.25 H new ATOM 0 HG3 PRO A 42 -4.497 1.710 -10.361 1.00 0.25 H new ATOM 0 HD2 PRO A 42 -4.781 -0.943 -10.918 1.00 0.30 H new ATOM 0 HD3 PRO A 42 -3.642 -0.358 -9.722 1.00 0.30 H new ATOM 703 N GLU A 43 -8.259 -0.773 -9.218 1.00 0.21 N ATOM 704 CA GLU A 43 -9.690 -1.029 -9.309 1.00 0.25 C ATOM 705 C GLU A 43 -10.114 -2.111 -8.300 1.00 0.23 C ATOM 706 O GLU A 43 -10.989 -1.865 -7.472 1.00 0.24 O ATOM 707 CB GLU A 43 -10.103 -1.423 -10.732 1.00 0.36 C ATOM 708 CG GLU A 43 -9.743 -0.405 -11.803 1.00 0.48 C ATOM 709 CD GLU A 43 -8.390 -0.675 -12.427 1.00 1.60 C ATOM 710 OE1 GLU A 43 -7.373 -0.218 -11.876 1.00 2.36 O ATOM 711 OE2 GLU A 43 -8.341 -1.354 -13.475 1.00 1.99 O ATOM 0 H GLU A 43 -7.731 -1.004 -10.059 1.00 0.21 H new ATOM 0 HA GLU A 43 -10.207 -0.102 -9.061 1.00 0.25 H new ATOM 0 HB2 GLU A 43 -9.633 -2.374 -10.982 1.00 0.36 H new ATOM 0 HB3 GLU A 43 -11.181 -1.585 -10.751 1.00 0.36 H new ATOM 0 HG2 GLU A 43 -10.507 -0.415 -12.581 1.00 0.48 H new ATOM 0 HG3 GLU A 43 -9.746 0.594 -11.366 1.00 0.48 H new ATOM 718 N PRO A 44 -9.507 -3.320 -8.356 1.00 0.24 N ATOM 719 CA PRO A 44 -9.738 -4.375 -7.370 1.00 0.26 C ATOM 720 C PRO A 44 -9.577 -3.920 -5.917 1.00 0.24 C ATOM 721 O PRO A 44 -10.242 -4.441 -5.020 1.00 0.27 O ATOM 722 CB PRO A 44 -8.677 -5.405 -7.678 1.00 0.30 C ATOM 723 CG PRO A 44 -8.302 -5.200 -9.096 1.00 0.36 C ATOM 724 CD PRO A 44 -8.595 -3.771 -9.413 1.00 0.27 C ATOM 0 HA PRO A 44 -10.765 -4.733 -7.445 1.00 0.26 H new ATOM 0 HB2 PRO A 44 -7.813 -5.281 -7.025 1.00 0.30 H new ATOM 0 HB3 PRO A 44 -9.056 -6.414 -7.517 1.00 0.30 H new ATOM 0 HG2 PRO A 44 -7.247 -5.423 -9.254 1.00 0.36 H new ATOM 0 HG3 PRO A 44 -8.869 -5.865 -9.747 1.00 0.36 H new ATOM 0 HD2 PRO A 44 -7.682 -3.176 -9.426 1.00 0.27 H new ATOM 0 HD3 PRO A 44 -9.054 -3.672 -10.397 1.00 0.27 H new ATOM 732 N VAL A 45 -8.709 -2.942 -5.688 1.00 0.20 N ATOM 733 CA VAL A 45 -8.420 -2.487 -4.333 1.00 0.19 C ATOM 734 C VAL A 45 -9.423 -1.420 -3.912 1.00 0.17 C ATOM 735 O VAL A 45 -9.852 -1.374 -2.760 1.00 0.18 O ATOM 736 CB VAL A 45 -6.977 -1.937 -4.214 1.00 0.19 C ATOM 737 CG1 VAL A 45 -6.706 -1.401 -2.815 1.00 0.20 C ATOM 738 CG2 VAL A 45 -5.965 -3.015 -4.576 1.00 0.23 C ATOM 0 H VAL A 45 -8.195 -2.450 -6.419 1.00 0.20 H new ATOM 0 HA VAL A 45 -8.507 -3.346 -3.667 1.00 0.19 H new ATOM 0 HB VAL A 45 -6.874 -1.110 -4.917 1.00 0.19 H new ATOM 0 HG11 VAL A 45 -5.685 -1.022 -2.762 1.00 0.20 H new ATOM 0 HG12 VAL A 45 -7.405 -0.595 -2.593 1.00 0.20 H new ATOM 0 HG13 VAL A 45 -6.834 -2.202 -2.087 1.00 0.20 H new ATOM 0 HG21 VAL A 45 -4.956 -2.612 -4.487 1.00 0.23 H new ATOM 0 HG22 VAL A 45 -6.078 -3.862 -3.899 1.00 0.23 H new ATOM 0 HG23 VAL A 45 -6.135 -3.344 -5.601 1.00 0.23 H new ATOM 748 N LYS A 46 -9.822 -0.583 -4.857 1.00 0.15 N ATOM 749 CA LYS A 46 -10.888 0.378 -4.610 1.00 0.15 C ATOM 750 C LYS A 46 -12.211 -0.364 -4.477 1.00 0.17 C ATOM 751 O LYS A 46 -13.163 0.124 -3.865 1.00 0.20 O ATOM 752 CB LYS A 46 -10.964 1.400 -5.745 1.00 0.17 C ATOM 753 CG LYS A 46 -11.848 2.596 -5.435 1.00 0.20 C ATOM 754 CD LYS A 46 -11.867 3.578 -6.588 1.00 0.27 C ATOM 755 CE LYS A 46 -12.592 4.856 -6.212 1.00 0.37 C ATOM 756 NZ LYS A 46 -14.023 4.618 -5.882 1.00 1.36 N ATOM 0 H LYS A 46 -9.427 -0.549 -5.797 1.00 0.15 H new ATOM 0 HA LYS A 46 -10.679 0.915 -3.685 1.00 0.15 H new ATOM 0 HB2 LYS A 46 -9.958 1.753 -5.972 1.00 0.17 H new ATOM 0 HB3 LYS A 46 -11.338 0.906 -6.642 1.00 0.17 H new ATOM 0 HG2 LYS A 46 -12.863 2.257 -5.226 1.00 0.20 H new ATOM 0 HG3 LYS A 46 -11.487 3.095 -4.535 1.00 0.20 H new ATOM 0 HD2 LYS A 46 -10.845 3.812 -6.886 1.00 0.27 H new ATOM 0 HD3 LYS A 46 -12.354 3.121 -7.450 1.00 0.27 H new ATOM 0 HE2 LYS A 46 -12.096 5.314 -5.357 1.00 0.37 H new ATOM 0 HE3 LYS A 46 -12.525 5.565 -7.037 1.00 0.37 H new ATOM 0 HZ1 LYS A 46 -14.572 5.479 -6.077 1.00 1.36 H new ATOM 0 HZ2 LYS A 46 -14.388 3.836 -6.462 1.00 1.36 H new ATOM 0 HZ3 LYS A 46 -14.111 4.372 -4.875 1.00 1.36 H new ATOM 770 N ALA A 47 -12.251 -1.560 -5.055 1.00 0.18 N ATOM 771 CA ALA A 47 -13.419 -2.424 -4.985 1.00 0.22 C ATOM 772 C ALA A 47 -13.685 -2.867 -3.551 1.00 0.22 C ATOM 773 O ALA A 47 -14.816 -3.192 -3.189 1.00 0.27 O ATOM 774 CB ALA A 47 -13.220 -3.636 -5.884 1.00 0.26 C ATOM 0 H ALA A 47 -11.474 -1.955 -5.584 1.00 0.18 H new ATOM 0 HA ALA A 47 -14.286 -1.861 -5.330 1.00 0.22 H new ATOM 0 HB1 ALA A 47 -14.098 -4.279 -5.827 1.00 0.26 H new ATOM 0 HB2 ALA A 47 -13.078 -3.306 -6.913 1.00 0.26 H new ATOM 0 HB3 ALA A 47 -12.341 -4.192 -5.556 1.00 0.26 H new ATOM 780 N ILE A 48 -12.636 -2.872 -2.738 1.00 0.20 N ATOM 781 CA ILE A 48 -12.756 -3.230 -1.331 1.00 0.21 C ATOM 782 C ILE A 48 -13.593 -2.191 -0.589 1.00 0.21 C ATOM 783 O ILE A 48 -14.323 -2.511 0.348 1.00 0.23 O ATOM 784 CB ILE A 48 -11.364 -3.343 -0.670 1.00 0.20 C ATOM 785 CG1 ILE A 48 -10.490 -4.312 -1.470 1.00 0.21 C ATOM 786 CG2 ILE A 48 -11.492 -3.812 0.776 1.00 0.22 C ATOM 787 CD1 ILE A 48 -9.047 -4.340 -1.026 1.00 0.21 C ATOM 0 H ILE A 48 -11.689 -2.631 -3.031 1.00 0.20 H new ATOM 0 HA ILE A 48 -13.250 -4.200 -1.272 1.00 0.21 H new ATOM 0 HB ILE A 48 -10.895 -2.359 -0.667 1.00 0.20 H new ATOM 0 HG12 ILE A 48 -10.906 -5.316 -1.386 1.00 0.21 H new ATOM 0 HG13 ILE A 48 -10.531 -4.038 -2.524 1.00 0.21 H new ATOM 0 HG21 ILE A 48 -10.501 -3.885 1.224 1.00 0.22 H new ATOM 0 HG22 ILE A 48 -12.092 -3.097 1.339 1.00 0.22 H new ATOM 0 HG23 ILE A 48 -11.974 -4.789 0.800 1.00 0.22 H new ATOM 0 HD11 ILE A 48 -8.491 -5.049 -1.639 1.00 0.21 H new ATOM 0 HD12 ILE A 48 -8.613 -3.346 -1.137 1.00 0.21 H new ATOM 0 HD13 ILE A 48 -8.994 -4.645 0.019 1.00 0.21 H new ATOM 799 N CYS A 49 -13.507 -0.949 -1.042 1.00 0.20 N ATOM 800 CA CYS A 49 -14.202 0.146 -0.392 1.00 0.21 C ATOM 801 C CYS A 49 -15.454 0.554 -1.164 1.00 0.25 C ATOM 802 O CYS A 49 -16.050 1.599 -0.895 1.00 0.25 O ATOM 803 CB CYS A 49 -13.248 1.325 -0.245 1.00 0.19 C ATOM 804 SG CYS A 49 -11.803 0.939 0.788 1.00 0.18 S ATOM 0 H CYS A 49 -12.961 -0.677 -1.859 1.00 0.20 H new ATOM 0 HA CYS A 49 -14.530 -0.183 0.594 1.00 0.21 H new ATOM 0 HB2 CYS A 49 -12.909 1.638 -1.233 1.00 0.19 H new ATOM 0 HB3 CYS A 49 -13.785 2.168 0.190 1.00 0.19 H new ATOM 809 N LYS A 50 -15.853 -0.280 -2.118 1.00 0.32 N ATOM 810 CA LYS A 50 -17.048 -0.025 -2.914 1.00 0.40 C ATOM 811 C LYS A 50 -18.290 0.010 -2.028 1.00 0.39 C ATOM 812 O LYS A 50 -18.717 -1.016 -1.499 1.00 0.47 O ATOM 813 CB LYS A 50 -17.204 -1.091 -4.002 1.00 0.54 C ATOM 814 CG LYS A 50 -18.402 -0.869 -4.913 1.00 0.68 C ATOM 815 CD LYS A 50 -18.519 -1.968 -5.957 1.00 0.92 C ATOM 816 CE LYS A 50 -17.372 -1.923 -6.959 1.00 1.58 C ATOM 817 NZ LYS A 50 -17.434 -0.716 -7.825 1.00 2.33 N ATOM 0 H LYS A 50 -15.364 -1.142 -2.360 1.00 0.32 H new ATOM 0 HA LYS A 50 -16.937 0.949 -3.391 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -16.298 -1.114 -4.608 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -17.296 -2.069 -3.529 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -19.313 -0.835 -4.316 1.00 0.68 H new ATOM 0 HG3 LYS A 50 -18.309 0.097 -5.409 1.00 0.68 H new ATOM 0 HD2 LYS A 50 -18.531 -2.939 -5.462 1.00 0.92 H new ATOM 0 HD3 LYS A 50 -19.467 -1.868 -6.485 1.00 0.92 H new ATOM 0 HE2 LYS A 50 -16.423 -1.936 -6.424 1.00 1.58 H new ATOM 0 HE3 LYS A 50 -17.400 -2.817 -7.582 1.00 1.58 H new ATOM 0 HZ1 LYS A 50 -16.767 -0.822 -8.616 1.00 2.33 H new ATOM 0 HZ2 LYS A 50 -18.399 -0.605 -8.198 1.00 2.33 H new ATOM 0 HZ3 LYS A 50 -17.180 0.125 -7.268 1.00 2.33 H new ATOM 831 N GLY A 51 -18.852 1.198 -1.859 1.00 0.36 N ATOM 832 CA GLY A 51 -20.058 1.344 -1.070 1.00 0.38 C ATOM 833 C GLY A 51 -19.789 1.870 0.326 1.00 0.37 C ATOM 834 O GLY A 51 -20.711 2.018 1.127 1.00 0.44 O ATOM 0 H GLY A 51 -18.493 2.066 -2.256 1.00 0.36 H new ATOM 0 HA2 GLY A 51 -20.742 2.021 -1.582 1.00 0.38 H new ATOM 0 HA3 GLY A 51 -20.559 0.378 -0.999 1.00 0.38 H new ATOM 838 N ILE A 52 -18.528 2.159 0.626 1.00 0.31 N ATOM 839 CA ILE A 52 -18.164 2.667 1.943 1.00 0.29 C ATOM 840 C ILE A 52 -17.861 4.163 1.872 1.00 0.29 C ATOM 841 O ILE A 52 -16.742 4.566 1.558 1.00 0.27 O ATOM 842 CB ILE A 52 -16.932 1.937 2.521 1.00 0.26 C ATOM 843 CG1 ILE A 52 -17.041 0.420 2.309 1.00 0.28 C ATOM 844 CG2 ILE A 52 -16.780 2.256 4.002 1.00 0.28 C ATOM 845 CD1 ILE A 52 -18.233 -0.219 2.995 1.00 0.33 C ATOM 0 H ILE A 52 -17.746 2.051 -0.020 1.00 0.31 H new ATOM 0 HA ILE A 52 -19.015 2.487 2.600 1.00 0.29 H new ATOM 0 HB ILE A 52 -16.047 2.289 1.991 1.00 0.26 H new ATOM 0 HG12 ILE A 52 -17.100 0.217 1.240 1.00 0.28 H new ATOM 0 HG13 ILE A 52 -16.129 -0.053 2.674 1.00 0.28 H new ATOM 0 HG21 ILE A 52 -15.908 1.736 4.399 1.00 0.28 H new ATOM 0 HG22 ILE A 52 -16.651 3.331 4.131 1.00 0.28 H new ATOM 0 HG23 ILE A 52 -17.672 1.930 4.538 1.00 0.28 H new ATOM 0 HD11 ILE A 52 -18.236 -1.291 2.795 1.00 0.33 H new ATOM 0 HD12 ILE A 52 -18.168 -0.050 4.070 1.00 0.33 H new ATOM 0 HD13 ILE A 52 -19.153 0.224 2.613 1.00 0.33 H new ATOM 857 N ILE A 53 -18.868 4.979 2.145 1.00 0.33 N ATOM 858 CA ILE A 53 -18.728 6.424 2.083 1.00 0.35 C ATOM 859 C ILE A 53 -18.112 6.965 3.366 1.00 0.34 C ATOM 860 O ILE A 53 -17.125 7.699 3.325 1.00 0.35 O ATOM 861 CB ILE A 53 -20.094 7.107 1.828 1.00 0.40 C ATOM 862 CG1 ILE A 53 -20.544 6.914 0.375 1.00 0.49 C ATOM 863 CG2 ILE A 53 -20.031 8.593 2.158 1.00 0.42 C ATOM 864 CD1 ILE A 53 -20.723 5.473 -0.052 1.00 0.55 C ATOM 0 H ILE A 53 -19.799 4.660 2.414 1.00 0.33 H new ATOM 0 HA ILE A 53 -18.064 6.653 1.249 1.00 0.35 H new ATOM 0 HB ILE A 53 -20.824 6.634 2.484 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -21.487 7.440 0.229 1.00 0.49 H new ATOM 0 HG13 ILE A 53 -19.812 7.384 -0.282 1.00 0.49 H new ATOM 0 HG21 ILE A 53 -21.003 9.049 1.970 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -19.766 8.722 3.208 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -19.278 9.073 1.533 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -21.042 5.439 -1.094 1.00 0.55 H new ATOM 0 HD12 ILE A 53 -19.777 4.942 0.055 1.00 0.55 H new ATOM 0 HD13 ILE A 53 -21.479 4.999 0.574 1.00 0.55 H new ATOM 876 N ALA A 54 -18.690 6.594 4.498 1.00 0.37 N ATOM 877 CA ALA A 54 -18.199 7.062 5.783 1.00 0.38 C ATOM 878 C ALA A 54 -16.868 6.406 6.105 1.00 0.33 C ATOM 879 O ALA A 54 -16.713 5.199 5.919 1.00 0.32 O ATOM 880 CB ALA A 54 -19.211 6.784 6.880 1.00 0.46 C ATOM 0 H ALA A 54 -19.497 5.972 4.552 1.00 0.37 H new ATOM 0 HA ALA A 54 -18.052 8.140 5.725 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -18.822 7.143 7.833 1.00 0.46 H new ATOM 0 HB2 ALA A 54 -20.145 7.298 6.652 1.00 0.46 H new ATOM 0 HB3 ALA A 54 -19.394 5.711 6.943 1.00 0.46 H new ATOM 886 N SER A 55 -15.923 7.216 6.564 1.00 0.34 N ATOM 887 CA SER A 55 -14.576 6.770 6.865 1.00 0.34 C ATOM 888 C SER A 55 -14.588 5.540 7.777 1.00 0.32 C ATOM 889 O SER A 55 -14.895 5.640 8.967 1.00 0.36 O ATOM 890 CB SER A 55 -13.830 7.919 7.526 1.00 0.41 C ATOM 891 OG SER A 55 -14.275 9.163 7.010 1.00 1.42 O ATOM 0 H SER A 55 -16.075 8.209 6.738 1.00 0.34 H new ATOM 0 HA SER A 55 -14.075 6.479 5.942 1.00 0.34 H new ATOM 0 HB2 SER A 55 -13.986 7.889 8.604 1.00 0.41 H new ATOM 0 HB3 SER A 55 -12.759 7.810 7.356 1.00 0.41 H new ATOM 0 HG SER A 55 -13.507 9.672 6.675 1.00 1.42 H new ATOM 897 N LYS A 56 -14.266 4.387 7.209 1.00 0.30 N ATOM 898 CA LYS A 56 -14.322 3.128 7.936 1.00 0.31 C ATOM 899 C LYS A 56 -13.150 2.228 7.561 1.00 0.29 C ATOM 900 O LYS A 56 -12.955 1.906 6.391 1.00 0.27 O ATOM 901 CB LYS A 56 -15.643 2.411 7.631 1.00 0.34 C ATOM 902 CG LYS A 56 -15.773 1.046 8.288 1.00 0.40 C ATOM 903 CD LYS A 56 -16.987 0.295 7.765 1.00 0.51 C ATOM 904 CE LYS A 56 -17.078 -1.104 8.348 1.00 0.94 C ATOM 905 NZ LYS A 56 -18.203 -1.877 7.754 1.00 1.71 N ATOM 0 H LYS A 56 -13.961 4.298 6.240 1.00 0.30 H new ATOM 0 HA LYS A 56 -14.261 3.345 9.002 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -16.470 3.041 7.959 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -15.740 2.294 6.552 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -14.872 0.462 8.099 1.00 0.40 H new ATOM 0 HG3 LYS A 56 -15.855 1.166 9.368 1.00 0.40 H new ATOM 0 HD2 LYS A 56 -17.892 0.851 8.011 1.00 0.51 H new ATOM 0 HD3 LYS A 56 -16.936 0.233 6.678 1.00 0.51 H new ATOM 0 HE2 LYS A 56 -16.141 -1.633 8.173 1.00 0.94 H new ATOM 0 HE3 LYS A 56 -17.211 -1.040 9.428 1.00 0.94 H new ATOM 0 HZ1 LYS A 56 -18.233 -2.827 8.177 1.00 1.71 H new ATOM 0 HZ2 LYS A 56 -19.100 -1.385 7.943 1.00 1.71 H new ATOM 0 HZ3 LYS A 56 -18.063 -1.960 6.727 1.00 1.71 H new ATOM 919 N ASN A 57 -12.365 1.841 8.554 1.00 0.36 N ATOM 920 CA ASN A 57 -11.300 0.867 8.351 1.00 0.37 C ATOM 921 C ASN A 57 -11.885 -0.529 8.203 1.00 0.33 C ATOM 922 O ASN A 57 -12.620 -0.997 9.073 1.00 0.41 O ATOM 923 CB ASN A 57 -10.279 0.885 9.504 1.00 0.50 C ATOM 924 CG ASN A 57 -10.903 0.911 10.896 1.00 0.80 C ATOM 925 OD1 ASN A 57 -11.977 1.475 11.113 1.00 1.49 O ATOM 926 ND2 ASN A 57 -10.226 0.301 11.853 1.00 1.13 N ATOM 0 H ASN A 57 -12.444 2.186 9.511 1.00 0.36 H new ATOM 0 HA ASN A 57 -10.776 1.142 7.436 1.00 0.37 H new ATOM 0 HB2 ASN A 57 -9.640 0.006 9.422 1.00 0.50 H new ATOM 0 HB3 ASN A 57 -9.636 1.758 9.391 1.00 0.50 H new ATOM 0 HD21 ASN A 57 -10.590 0.287 12.806 1.00 1.13 H new ATOM 0 HD22 ASN A 57 -9.340 -0.156 11.639 1.00 1.13 H new ATOM 933 N VAL A 58 -11.579 -1.179 7.090 1.00 0.28 N ATOM 934 CA VAL A 58 -12.082 -2.518 6.830 1.00 0.27 C ATOM 935 C VAL A 58 -10.930 -3.480 6.539 1.00 0.25 C ATOM 936 O VAL A 58 -9.961 -3.128 5.866 1.00 0.25 O ATOM 937 CB VAL A 58 -13.091 -2.535 5.653 1.00 0.28 C ATOM 938 CG1 VAL A 58 -14.209 -1.528 5.877 1.00 0.61 C ATOM 939 CG2 VAL A 58 -12.397 -2.276 4.326 1.00 0.57 C ATOM 0 H VAL A 58 -10.985 -0.800 6.353 1.00 0.28 H new ATOM 0 HA VAL A 58 -12.605 -2.845 7.728 1.00 0.27 H new ATOM 0 HB VAL A 58 -13.531 -3.531 5.614 1.00 0.28 H new ATOM 0 HG11 VAL A 58 -14.902 -1.561 5.036 1.00 0.61 H new ATOM 0 HG12 VAL A 58 -14.741 -1.774 6.796 1.00 0.61 H new ATOM 0 HG13 VAL A 58 -13.786 -0.527 5.959 1.00 0.61 H new ATOM 0 HG21 VAL A 58 -13.132 -2.295 3.521 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -11.913 -1.300 4.353 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -11.648 -3.048 4.151 1.00 0.57 H new ATOM 949 N LEU A 59 -11.030 -4.684 7.078 1.00 0.28 N ATOM 950 CA LEU A 59 -10.035 -5.718 6.857 1.00 0.26 C ATOM 951 C LEU A 59 -10.473 -6.604 5.689 1.00 0.26 C ATOM 952 O LEU A 59 -11.632 -7.016 5.617 1.00 0.30 O ATOM 953 CB LEU A 59 -9.865 -6.519 8.158 1.00 0.30 C ATOM 954 CG LEU A 59 -8.748 -7.566 8.201 1.00 0.34 C ATOM 955 CD1 LEU A 59 -9.202 -8.883 7.599 1.00 0.53 C ATOM 956 CD2 LEU A 59 -7.505 -7.052 7.499 1.00 0.67 C ATOM 0 H LEU A 59 -11.802 -4.971 7.680 1.00 0.28 H new ATOM 0 HA LEU A 59 -9.071 -5.283 6.594 1.00 0.26 H new ATOM 0 HB2 LEU A 59 -9.694 -5.811 8.969 1.00 0.30 H new ATOM 0 HB3 LEU A 59 -10.808 -7.024 8.368 1.00 0.30 H new ATOM 0 HG LEU A 59 -8.501 -7.748 9.247 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -8.386 -9.604 7.645 1.00 0.53 H new ATOM 0 HD12 LEU A 59 -10.056 -9.264 8.160 1.00 0.53 H new ATOM 0 HD13 LEU A 59 -9.491 -8.728 6.560 1.00 0.53 H new ATOM 0 HD21 LEU A 59 -6.724 -7.811 7.541 1.00 0.67 H new ATOM 0 HD22 LEU A 59 -7.740 -6.830 6.458 1.00 0.67 H new ATOM 0 HD23 LEU A 59 -7.157 -6.145 7.993 1.00 0.67 H new ATOM 968 N THR A 60 -9.545 -6.889 4.786 1.00 0.22 N ATOM 969 CA THR A 60 -9.862 -7.606 3.556 1.00 0.22 C ATOM 970 C THR A 60 -10.139 -9.082 3.814 1.00 0.24 C ATOM 971 O THR A 60 -9.548 -9.696 4.697 1.00 0.33 O ATOM 972 CB THR A 60 -8.733 -7.469 2.513 1.00 0.21 C ATOM 973 OG1 THR A 60 -7.485 -7.902 3.069 1.00 0.25 O ATOM 974 CG2 THR A 60 -8.609 -6.032 2.038 1.00 0.24 C ATOM 0 H THR A 60 -8.562 -6.634 4.882 1.00 0.22 H new ATOM 0 HA THR A 60 -10.768 -7.148 3.159 1.00 0.22 H new ATOM 0 HB THR A 60 -8.984 -8.100 1.660 1.00 0.21 H new ATOM 0 HG1 THR A 60 -7.261 -8.789 2.718 1.00 0.25 H new ATOM 0 HG21 THR A 60 -7.807 -5.960 1.303 1.00 0.24 H new ATOM 0 HG22 THR A 60 -9.548 -5.717 1.582 1.00 0.24 H new ATOM 0 HG23 THR A 60 -8.383 -5.386 2.887 1.00 0.24 H new ATOM 982 N THR A 61 -11.041 -9.643 3.024 1.00 0.27 N ATOM 983 CA THR A 61 -11.452 -11.029 3.176 1.00 0.33 C ATOM 984 C THR A 61 -10.362 -11.996 2.718 1.00 0.33 C ATOM 985 O THR A 61 -10.304 -13.146 3.158 1.00 0.43 O ATOM 986 CB THR A 61 -12.724 -11.285 2.356 1.00 0.43 C ATOM 987 OG1 THR A 61 -12.527 -10.830 1.010 1.00 0.48 O ATOM 988 CG2 THR A 61 -13.917 -10.565 2.968 1.00 0.46 C ATOM 0 H THR A 61 -11.507 -9.152 2.262 1.00 0.27 H new ATOM 0 HA THR A 61 -11.641 -11.202 4.235 1.00 0.33 H new ATOM 0 HB THR A 61 -12.928 -12.356 2.358 1.00 0.43 H new ATOM 0 HG1 THR A 61 -13.339 -10.995 0.487 1.00 0.48 H new ATOM 0 HG21 THR A 61 -14.807 -10.761 2.370 1.00 0.46 H new ATOM 0 HG22 THR A 61 -14.077 -10.925 3.984 1.00 0.46 H new ATOM 0 HG23 THR A 61 -13.723 -9.493 2.989 1.00 0.46 H new ATOM 996 N SER A 62 -9.498 -11.517 1.844 1.00 0.28 N ATOM 997 CA SER A 62 -8.486 -12.355 1.223 1.00 0.31 C ATOM 998 C SER A 62 -7.107 -11.728 1.386 1.00 0.26 C ATOM 999 O SER A 62 -6.994 -10.525 1.644 1.00 0.24 O ATOM 1000 CB SER A 62 -8.815 -12.532 -0.261 1.00 0.41 C ATOM 1001 OG SER A 62 -10.181 -12.875 -0.440 1.00 1.09 O ATOM 0 H SER A 62 -9.476 -10.542 1.545 1.00 0.28 H new ATOM 0 HA SER A 62 -8.479 -13.330 1.710 1.00 0.31 H new ATOM 0 HB2 SER A 62 -8.594 -11.610 -0.799 1.00 0.41 H new ATOM 0 HB3 SER A 62 -8.182 -13.310 -0.688 1.00 0.41 H new ATOM 0 HG SER A 62 -10.369 -12.981 -1.396 1.00 1.09 H new ATOM 1007 N GLU A 63 -6.066 -12.541 1.254 1.00 0.26 N ATOM 1008 CA GLU A 63 -4.703 -12.047 1.356 1.00 0.23 C ATOM 1009 C GLU A 63 -4.183 -11.655 -0.016 1.00 0.24 C ATOM 1010 O GLU A 63 -4.318 -12.405 -0.983 1.00 0.35 O ATOM 1011 CB GLU A 63 -3.782 -13.090 1.997 1.00 0.25 C ATOM 1012 CG GLU A 63 -4.327 -13.632 3.306 1.00 0.34 C ATOM 1013 CD GLU A 63 -3.374 -14.552 4.032 1.00 1.20 C ATOM 1014 OE1 GLU A 63 -2.669 -15.326 3.349 1.00 1.44 O ATOM 1015 OE2 GLU A 63 -3.314 -14.507 5.275 1.00 2.06 O ATOM 0 H GLU A 63 -6.142 -13.543 1.077 1.00 0.26 H new ATOM 0 HA GLU A 63 -4.710 -11.166 1.998 1.00 0.23 H new ATOM 0 HB2 GLU A 63 -3.635 -13.915 1.300 1.00 0.25 H new ATOM 0 HB3 GLU A 63 -2.803 -12.644 2.173 1.00 0.25 H new ATOM 0 HG2 GLU A 63 -4.577 -12.795 3.958 1.00 0.34 H new ATOM 0 HG3 GLU A 63 -5.254 -14.169 3.107 1.00 0.34 H new ATOM 1022 N PHE A 64 -3.601 -10.474 -0.094 1.00 0.17 N ATOM 1023 CA PHE A 64 -3.088 -9.957 -1.348 1.00 0.17 C ATOM 1024 C PHE A 64 -1.580 -10.100 -1.396 1.00 0.16 C ATOM 1025 O PHE A 64 -0.933 -10.335 -0.371 1.00 0.15 O ATOM 1026 CB PHE A 64 -3.475 -8.490 -1.527 1.00 0.19 C ATOM 1027 CG PHE A 64 -4.944 -8.274 -1.775 1.00 0.21 C ATOM 1028 CD1 PHE A 64 -5.849 -8.314 -0.725 1.00 0.23 C ATOM 1029 CD2 PHE A 64 -5.419 -8.039 -3.055 1.00 0.26 C ATOM 1030 CE1 PHE A 64 -7.199 -8.120 -0.949 1.00 0.26 C ATOM 1031 CE2 PHE A 64 -6.767 -7.845 -3.284 1.00 0.29 C ATOM 1032 CZ PHE A 64 -7.654 -7.865 -2.235 1.00 0.28 C ATOM 0 H PHE A 64 -3.471 -9.850 0.703 1.00 0.17 H new ATOM 0 HA PHE A 64 -3.528 -10.535 -2.160 1.00 0.17 H new ATOM 0 HB2 PHE A 64 -3.181 -7.935 -0.636 1.00 0.19 H new ATOM 0 HB3 PHE A 64 -2.910 -8.074 -2.362 1.00 0.19 H new ATOM 0 HD1 PHE A 64 -5.495 -8.499 0.279 1.00 0.23 H new ATOM 0 HD2 PHE A 64 -4.727 -8.007 -3.884 1.00 0.26 H new ATOM 0 HE1 PHE A 64 -7.897 -8.167 -0.126 1.00 0.26 H new ATOM 0 HE2 PHE A 64 -7.124 -7.677 -4.289 1.00 0.29 H new ATOM 0 HZ PHE A 64 -8.704 -7.683 -2.411 1.00 0.28 H new ATOM 1042 N TYR A 65 -1.025 -9.953 -2.583 1.00 0.17 N ATOM 1043 CA TYR A 65 0.409 -10.064 -2.766 1.00 0.16 C ATOM 1044 C TYR A 65 1.070 -8.759 -2.360 1.00 0.16 C ATOM 1045 O TYR A 65 1.066 -7.788 -3.111 1.00 0.18 O ATOM 1046 CB TYR A 65 0.738 -10.401 -4.220 1.00 0.20 C ATOM 1047 CG TYR A 65 -0.054 -11.571 -4.764 1.00 0.30 C ATOM 1048 CD1 TYR A 65 0.181 -12.865 -4.317 1.00 0.38 C ATOM 1049 CD2 TYR A 65 -1.039 -11.375 -5.723 1.00 0.40 C ATOM 1050 CE1 TYR A 65 -0.546 -13.932 -4.811 1.00 0.49 C ATOM 1051 CE2 TYR A 65 -1.768 -12.436 -6.222 1.00 0.51 C ATOM 1052 CZ TYR A 65 -1.520 -13.712 -5.764 1.00 0.54 C ATOM 1053 OH TYR A 65 -2.243 -14.771 -6.270 1.00 0.66 O ATOM 0 H TYR A 65 -1.547 -9.756 -3.437 1.00 0.17 H new ATOM 0 HA TYR A 65 0.790 -10.870 -2.138 1.00 0.16 H new ATOM 0 HB2 TYR A 65 0.548 -9.525 -4.840 1.00 0.20 H new ATOM 0 HB3 TYR A 65 1.802 -10.624 -4.301 1.00 0.20 H new ATOM 0 HD1 TYR A 65 0.943 -13.040 -3.572 1.00 0.38 H new ATOM 0 HD2 TYR A 65 -1.238 -10.377 -6.084 1.00 0.40 H new ATOM 0 HE1 TYR A 65 -0.353 -14.933 -4.453 1.00 0.49 H new ATOM 0 HE2 TYR A 65 -2.530 -12.267 -6.969 1.00 0.51 H new ATOM 0 HH TYR A 65 -2.888 -14.441 -6.930 1.00 0.66 H new ATOM 1063 N LEU A 66 1.617 -8.732 -1.164 1.00 0.15 N ATOM 1064 CA LEU A 66 2.163 -7.507 -0.617 1.00 0.16 C ATOM 1065 C LEU A 66 3.676 -7.482 -0.741 1.00 0.16 C ATOM 1066 O LEU A 66 4.333 -8.527 -0.690 1.00 0.20 O ATOM 1067 CB LEU A 66 1.756 -7.352 0.849 1.00 0.18 C ATOM 1068 CG LEU A 66 0.250 -7.381 1.106 1.00 0.19 C ATOM 1069 CD1 LEU A 66 -0.037 -7.226 2.589 1.00 0.22 C ATOM 1070 CD2 LEU A 66 -0.452 -6.290 0.307 1.00 0.19 C ATOM 0 H LEU A 66 1.696 -9.544 -0.551 1.00 0.15 H new ATOM 0 HA LEU A 66 1.758 -6.673 -1.189 1.00 0.16 H new ATOM 0 HB2 LEU A 66 2.224 -8.149 1.427 1.00 0.18 H new ATOM 0 HB3 LEU A 66 2.156 -6.410 1.224 1.00 0.18 H new ATOM 0 HG LEU A 66 -0.137 -8.346 0.779 1.00 0.19 H new ATOM 0 HD11 LEU A 66 -1.114 -7.249 2.755 1.00 0.22 H new ATOM 0 HD12 LEU A 66 0.432 -8.043 3.138 1.00 0.22 H new ATOM 0 HD13 LEU A 66 0.364 -6.275 2.940 1.00 0.22 H new ATOM 0 HD21 LEU A 66 -1.523 -6.327 0.504 1.00 0.19 H new ATOM 0 HD22 LEU A 66 -0.063 -5.316 0.602 1.00 0.19 H new ATOM 0 HD23 LEU A 66 -0.273 -6.446 -0.757 1.00 0.19 H new ATOM 1082 N SER A 67 4.211 -6.295 -0.934 1.00 0.17 N ATOM 1083 CA SER A 67 5.646 -6.093 -0.954 1.00 0.18 C ATOM 1084 C SER A 67 5.996 -4.945 -0.019 1.00 0.22 C ATOM 1085 O SER A 67 5.656 -3.791 -0.280 1.00 0.26 O ATOM 1086 CB SER A 67 6.121 -5.789 -2.376 1.00 0.22 C ATOM 1087 OG SER A 67 5.649 -6.767 -3.290 1.00 0.29 O ATOM 0 H SER A 67 3.667 -5.445 -1.081 1.00 0.17 H new ATOM 0 HA SER A 67 6.147 -7.001 -0.618 1.00 0.18 H new ATOM 0 HB2 SER A 67 5.768 -4.803 -2.678 1.00 0.22 H new ATOM 0 HB3 SER A 67 7.210 -5.759 -2.401 1.00 0.22 H new ATOM 0 HG SER A 67 6.409 -7.169 -3.761 1.00 0.29 H new ATOM 1093 N ASP A 68 6.651 -5.267 1.081 1.00 0.26 N ATOM 1094 CA ASP A 68 6.974 -4.271 2.088 1.00 0.34 C ATOM 1095 C ASP A 68 8.407 -3.803 1.924 1.00 0.29 C ATOM 1096 O ASP A 68 9.340 -4.605 1.966 1.00 0.34 O ATOM 1097 CB ASP A 68 6.777 -4.840 3.494 1.00 0.46 C ATOM 1098 CG ASP A 68 6.913 -3.784 4.574 1.00 1.12 C ATOM 1099 OD1 ASP A 68 8.062 -3.492 4.977 1.00 2.01 O ATOM 1100 OD2 ASP A 68 5.883 -3.226 5.011 1.00 1.12 O ATOM 0 H ASP A 68 6.970 -6.211 1.301 1.00 0.26 H new ATOM 0 HA ASP A 68 6.302 -3.423 1.955 1.00 0.34 H new ATOM 0 HB2 ASP A 68 5.791 -5.299 3.562 1.00 0.46 H new ATOM 0 HB3 ASP A 68 7.508 -5.629 3.668 1.00 0.46 H new ATOM 1105 N CYS A 69 8.581 -2.512 1.718 1.00 0.28 N ATOM 1106 CA CYS A 69 9.910 -1.943 1.639 1.00 0.26 C ATOM 1107 C CYS A 69 10.242 -1.258 2.954 1.00 0.30 C ATOM 1108 O CYS A 69 9.612 -0.258 3.319 1.00 0.35 O ATOM 1109 CB CYS A 69 9.988 -0.931 0.496 1.00 0.25 C ATOM 1110 SG CYS A 69 9.568 -1.606 -1.140 1.00 0.62 S ATOM 0 H CYS A 69 7.822 -1.841 1.603 1.00 0.28 H new ATOM 0 HA CYS A 69 10.628 -2.740 1.448 1.00 0.26 H new ATOM 0 HB2 CYS A 69 9.316 -0.101 0.716 1.00 0.25 H new ATOM 0 HB3 CYS A 69 10.998 -0.522 0.458 1.00 0.25 H new ATOM 1115 N ASN A 70 11.252 -1.765 3.636 1.00 0.35 N ATOM 1116 CA ASN A 70 11.646 -1.229 4.929 1.00 0.42 C ATOM 1117 C ASN A 70 13.138 -0.942 4.951 1.00 0.44 C ATOM 1118 O ASN A 70 13.924 -1.615 4.278 1.00 0.49 O ATOM 1119 CB ASN A 70 11.246 -2.178 6.070 1.00 0.51 C ATOM 1120 CG ASN A 70 11.668 -3.616 5.839 1.00 0.97 C ATOM 1121 OD1 ASN A 70 12.764 -4.023 6.217 1.00 1.93 O ATOM 1122 ND2 ASN A 70 10.786 -4.405 5.242 1.00 1.08 N ATOM 0 H ASN A 70 11.818 -2.551 3.316 1.00 0.35 H new ATOM 0 HA ASN A 70 11.115 -0.290 5.085 1.00 0.42 H new ATOM 0 HB2 ASN A 70 11.690 -1.823 7.000 1.00 0.51 H new ATOM 0 HB3 ASN A 70 10.164 -2.142 6.199 1.00 0.51 H new ATOM 0 HD21 ASN A 70 11.007 -5.388 5.082 1.00 1.08 H new ATOM 0 HD22 ASN A 70 9.886 -4.029 4.943 1.00 1.08 H new ATOM 1129 N VAL A 71 13.513 0.076 5.712 1.00 0.47 N ATOM 1130 CA VAL A 71 14.871 0.596 5.695 1.00 0.51 C ATOM 1131 C VAL A 71 15.801 -0.259 6.530 1.00 0.56 C ATOM 1132 O VAL A 71 15.427 -0.789 7.580 1.00 0.60 O ATOM 1133 CB VAL A 71 14.911 2.072 6.172 1.00 0.54 C ATOM 1134 CG1 VAL A 71 14.548 2.193 7.642 1.00 0.90 C ATOM 1135 CG2 VAL A 71 16.267 2.705 5.900 1.00 0.82 C ATOM 0 H VAL A 71 12.888 0.562 6.355 1.00 0.47 H new ATOM 0 HA VAL A 71 15.219 0.562 4.663 1.00 0.51 H new ATOM 0 HB VAL A 71 14.162 2.616 5.597 1.00 0.54 H new ATOM 0 HG11 VAL A 71 14.586 3.240 7.941 1.00 0.90 H new ATOM 0 HG12 VAL A 71 13.541 1.807 7.801 1.00 0.90 H new ATOM 0 HG13 VAL A 71 15.256 1.619 8.240 1.00 0.90 H new ATOM 0 HG21 VAL A 71 16.262 3.739 6.246 1.00 0.82 H new ATOM 0 HG22 VAL A 71 17.041 2.149 6.429 1.00 0.82 H new ATOM 0 HG23 VAL A 71 16.471 2.682 4.830 1.00 0.82 H new ATOM 1145 N THR A 72 17.001 -0.421 6.016 1.00 0.58 N ATOM 1146 CA THR A 72 18.032 -1.168 6.691 1.00 0.64 C ATOM 1147 C THR A 72 18.825 -0.243 7.606 1.00 0.75 C ATOM 1148 O THR A 72 18.318 0.779 8.073 1.00 0.93 O ATOM 1149 CB THR A 72 18.976 -1.823 5.663 1.00 0.71 C ATOM 1150 OG1 THR A 72 19.511 -0.824 4.780 1.00 0.78 O ATOM 1151 CG2 THR A 72 18.248 -2.885 4.851 1.00 0.78 C ATOM 0 H THR A 72 17.287 -0.036 5.116 1.00 0.58 H new ATOM 0 HA THR A 72 17.566 -1.951 7.289 1.00 0.64 H new ATOM 0 HB THR A 72 19.789 -2.302 6.208 1.00 0.71 H new ATOM 0 HG1 THR A 72 18.794 -0.471 4.213 1.00 0.78 H new ATOM 0 HG21 THR A 72 18.937 -3.331 4.134 1.00 0.78 H new ATOM 0 HG22 THR A 72 17.870 -3.658 5.520 1.00 0.78 H new ATOM 0 HG23 THR A 72 17.415 -2.427 4.317 1.00 0.78 H new ATOM 1159 N SER A 73 20.068 -0.599 7.838 1.00 0.86 N ATOM 1160 CA SER A 73 20.959 0.194 8.666 1.00 1.02 C ATOM 1161 C SER A 73 21.578 1.321 7.848 1.00 0.90 C ATOM 1162 O SER A 73 22.245 2.207 8.384 1.00 0.99 O ATOM 1163 CB SER A 73 22.047 -0.705 9.255 1.00 1.33 C ATOM 1164 OG SER A 73 22.611 -1.545 8.256 1.00 1.87 O ATOM 0 H SER A 73 20.493 -1.445 7.460 1.00 0.86 H new ATOM 0 HA SER A 73 20.390 0.640 9.482 1.00 1.02 H new ATOM 0 HB2 SER A 73 22.829 -0.091 9.702 1.00 1.33 H new ATOM 0 HB3 SER A 73 21.626 -1.316 10.053 1.00 1.33 H new ATOM 0 HG SER A 73 23.305 -2.109 8.657 1.00 1.87 H new ATOM 1170 N ARG A 74 21.343 1.283 6.543 1.00 0.81 N ATOM 1171 CA ARG A 74 21.883 2.288 5.649 1.00 0.76 C ATOM 1172 C ARG A 74 20.800 3.275 5.230 1.00 0.68 C ATOM 1173 O ARG A 74 19.689 2.882 4.870 1.00 0.63 O ATOM 1174 CB ARG A 74 22.531 1.626 4.434 1.00 0.88 C ATOM 1175 CG ARG A 74 23.759 0.815 4.806 1.00 1.40 C ATOM 1176 CD ARG A 74 24.282 -0.002 3.639 1.00 1.55 C ATOM 1177 NE ARG A 74 25.298 -0.964 4.068 1.00 2.35 N ATOM 1178 CZ ARG A 74 26.219 -1.500 3.266 1.00 2.74 C ATOM 1179 NH1 ARG A 74 26.291 -1.142 1.991 1.00 2.41 N ATOM 1180 NH2 ARG A 74 27.079 -2.386 3.746 1.00 3.76 N ATOM 0 H ARG A 74 20.782 0.566 6.084 1.00 0.81 H new ATOM 0 HA ARG A 74 22.653 2.848 6.179 1.00 0.76 H new ATOM 0 HB2 ARG A 74 21.804 0.977 3.946 1.00 0.88 H new ATOM 0 HB3 ARG A 74 22.810 2.393 3.711 1.00 0.88 H new ATOM 0 HG2 ARG A 74 24.543 1.486 5.157 1.00 1.40 H new ATOM 0 HG3 ARG A 74 23.515 0.149 5.633 1.00 1.40 H new ATOM 0 HD2 ARG A 74 23.455 -0.532 3.165 1.00 1.55 H new ATOM 0 HD3 ARG A 74 24.705 0.665 2.888 1.00 1.55 H new ATOM 0 HE ARG A 74 25.302 -1.244 5.049 1.00 2.35 H new ATOM 0 HH11 ARG A 74 25.639 -0.452 1.617 1.00 2.41 H new ATOM 0 HH12 ARG A 74 26.998 -1.557 1.384 1.00 2.41 H new ATOM 0 HH21 ARG A 74 27.036 -2.658 4.728 1.00 3.76 H new ATOM 0 HH22 ARG A 74 27.784 -2.796 3.133 1.00 3.76 H new ATOM 1194 N PRO A 75 21.125 4.575 5.305 1.00 0.74 N ATOM 1195 CA PRO A 75 20.183 5.669 5.035 1.00 0.74 C ATOM 1196 C PRO A 75 19.432 5.528 3.720 1.00 0.65 C ATOM 1197 O PRO A 75 20.032 5.488 2.642 1.00 0.70 O ATOM 1198 CB PRO A 75 21.065 6.907 4.994 1.00 0.92 C ATOM 1199 CG PRO A 75 22.251 6.564 5.825 1.00 1.05 C ATOM 1200 CD PRO A 75 22.456 5.078 5.683 1.00 0.92 C ATOM 0 HA PRO A 75 19.402 5.694 5.795 1.00 0.74 H new ATOM 0 HB2 PRO A 75 21.356 7.150 3.972 1.00 0.92 H new ATOM 0 HB3 PRO A 75 20.543 7.777 5.392 1.00 0.92 H new ATOM 0 HG2 PRO A 75 23.132 7.111 5.489 1.00 1.05 H new ATOM 0 HG3 PRO A 75 22.086 6.835 6.868 1.00 1.05 H new ATOM 0 HD2 PRO A 75 23.202 4.848 4.922 1.00 0.92 H new ATOM 0 HD3 PRO A 75 22.803 4.631 6.615 1.00 0.92 H new ATOM 1208 N CYS A 76 18.110 5.474 3.840 1.00 0.57 N ATOM 1209 CA CYS A 76 17.202 5.362 2.696 1.00 0.52 C ATOM 1210 C CYS A 76 17.561 4.160 1.805 1.00 0.51 C ATOM 1211 O CYS A 76 17.293 4.151 0.607 1.00 0.55 O ATOM 1212 CB CYS A 76 17.207 6.676 1.897 1.00 0.58 C ATOM 1213 SG CYS A 76 15.923 6.794 0.604 1.00 1.55 S ATOM 0 H CYS A 76 17.631 5.507 4.740 1.00 0.57 H new ATOM 0 HA CYS A 76 16.193 5.186 3.070 1.00 0.52 H new ATOM 0 HB2 CYS A 76 17.081 7.507 2.591 1.00 0.58 H new ATOM 0 HB3 CYS A 76 18.184 6.797 1.430 1.00 0.58 H new ATOM 1218 N LYS A 77 18.157 3.136 2.406 1.00 0.50 N ATOM 1219 CA LYS A 77 18.447 1.900 1.692 1.00 0.50 C ATOM 1220 C LYS A 77 17.566 0.783 2.227 1.00 0.47 C ATOM 1221 O LYS A 77 17.547 0.513 3.431 1.00 0.51 O ATOM 1222 CB LYS A 77 19.930 1.542 1.805 1.00 0.60 C ATOM 1223 CG LYS A 77 20.827 2.527 1.076 1.00 1.30 C ATOM 1224 CD LYS A 77 20.520 2.545 -0.413 1.00 1.57 C ATOM 1225 CE LYS A 77 21.032 3.807 -1.081 1.00 2.24 C ATOM 1226 NZ LYS A 77 20.735 3.815 -2.537 1.00 2.60 N ATOM 0 H LYS A 77 18.448 3.138 3.384 1.00 0.50 H new ATOM 0 HA LYS A 77 18.227 2.039 0.634 1.00 0.50 H new ATOM 0 HB2 LYS A 77 20.213 1.509 2.857 1.00 0.60 H new ATOM 0 HB3 LYS A 77 20.090 0.543 1.401 1.00 0.60 H new ATOM 0 HG2 LYS A 77 20.690 3.525 1.491 1.00 1.30 H new ATOM 0 HG3 LYS A 77 21.872 2.258 1.232 1.00 1.30 H new ATOM 0 HD2 LYS A 77 20.972 1.674 -0.887 1.00 1.57 H new ATOM 0 HD3 LYS A 77 19.443 2.466 -0.563 1.00 1.57 H new ATOM 0 HE2 LYS A 77 20.576 4.679 -0.611 1.00 2.24 H new ATOM 0 HE3 LYS A 77 22.108 3.889 -0.928 1.00 2.24 H new ATOM 0 HZ1 LYS A 77 21.609 3.634 -3.071 1.00 2.60 H new ATOM 0 HZ2 LYS A 77 20.037 3.075 -2.753 1.00 2.60 H new ATOM 0 HZ3 LYS A 77 20.350 4.743 -2.808 1.00 2.60 H new ATOM 1240 N TYR A 78 16.842 0.134 1.332 1.00 0.45 N ATOM 1241 CA TYR A 78 15.754 -0.744 1.729 1.00 0.47 C ATOM 1242 C TYR A 78 15.967 -2.174 1.279 1.00 0.52 C ATOM 1243 O TYR A 78 16.740 -2.447 0.360 1.00 0.59 O ATOM 1244 CB TYR A 78 14.443 -0.232 1.138 1.00 0.48 C ATOM 1245 CG TYR A 78 14.108 1.173 1.560 1.00 0.65 C ATOM 1246 CD1 TYR A 78 13.410 1.409 2.731 1.00 0.91 C ATOM 1247 CD2 TYR A 78 14.491 2.263 0.792 1.00 0.74 C ATOM 1248 CE1 TYR A 78 13.103 2.688 3.131 1.00 1.15 C ATOM 1249 CE2 TYR A 78 14.187 3.550 1.187 1.00 0.99 C ATOM 1250 CZ TYR A 78 13.491 3.753 2.357 1.00 1.17 C ATOM 1251 OH TYR A 78 13.179 5.022 2.758 1.00 1.44 O ATOM 0 H TYR A 78 16.988 0.198 0.324 1.00 0.45 H new ATOM 0 HA TYR A 78 15.719 -0.738 2.818 1.00 0.47 H new ATOM 0 HB2 TYR A 78 14.502 -0.273 0.050 1.00 0.48 H new ATOM 0 HB3 TYR A 78 13.633 -0.897 1.438 1.00 0.48 H new ATOM 0 HD1 TYR A 78 13.101 0.574 3.342 1.00 0.91 H new ATOM 0 HD2 TYR A 78 15.034 2.102 -0.127 1.00 0.74 H new ATOM 0 HE1 TYR A 78 12.559 2.854 4.049 1.00 1.15 H new ATOM 0 HE2 TYR A 78 14.493 4.391 0.583 1.00 0.99 H new ATOM 0 HH TYR A 78 12.711 4.987 3.619 1.00 1.44 H new ATOM 1261 N LYS A 79 15.275 -3.078 1.950 1.00 0.53 N ATOM 1262 CA LYS A 79 15.193 -4.465 1.540 1.00 0.58 C ATOM 1263 C LYS A 79 13.758 -4.768 1.122 1.00 0.46 C ATOM 1264 O LYS A 79 12.819 -4.192 1.676 1.00 0.47 O ATOM 1265 CB LYS A 79 15.610 -5.387 2.687 1.00 0.78 C ATOM 1266 CG LYS A 79 14.829 -5.154 3.966 1.00 1.39 C ATOM 1267 CD LYS A 79 15.106 -6.228 5.008 1.00 2.02 C ATOM 1268 CE LYS A 79 16.561 -6.230 5.451 1.00 2.63 C ATOM 1269 NZ LYS A 79 16.806 -7.226 6.528 1.00 3.52 N ATOM 0 H LYS A 79 14.752 -2.867 2.800 1.00 0.53 H new ATOM 0 HA LYS A 79 15.869 -4.637 0.702 1.00 0.58 H new ATOM 0 HB2 LYS A 79 15.480 -6.423 2.375 1.00 0.78 H new ATOM 0 HB3 LYS A 79 16.672 -5.246 2.888 1.00 0.78 H new ATOM 0 HG2 LYS A 79 15.087 -4.177 4.375 1.00 1.39 H new ATOM 0 HG3 LYS A 79 13.763 -5.134 3.741 1.00 1.39 H new ATOM 0 HD2 LYS A 79 14.464 -6.067 5.874 1.00 2.02 H new ATOM 0 HD3 LYS A 79 14.850 -7.205 4.598 1.00 2.02 H new ATOM 0 HE2 LYS A 79 17.201 -6.452 4.597 1.00 2.63 H new ATOM 0 HE3 LYS A 79 16.835 -5.236 5.805 1.00 2.63 H new ATOM 0 HZ1 LYS A 79 17.808 -7.199 6.804 1.00 3.52 H new ATOM 0 HZ2 LYS A 79 16.213 -6.999 7.352 1.00 3.52 H new ATOM 0 HZ3 LYS A 79 16.568 -8.177 6.182 1.00 3.52 H new ATOM 1283 N LEU A 80 13.587 -5.639 0.143 1.00 0.45 N ATOM 1284 CA LEU A 80 12.253 -6.011 -0.299 1.00 0.41 C ATOM 1285 C LEU A 80 11.711 -7.171 0.520 1.00 0.42 C ATOM 1286 O LEU A 80 12.437 -8.115 0.846 1.00 0.49 O ATOM 1287 CB LEU A 80 12.256 -6.375 -1.784 1.00 0.50 C ATOM 1288 CG LEU A 80 11.468 -5.430 -2.679 1.00 0.58 C ATOM 1289 CD1 LEU A 80 11.733 -5.738 -4.144 1.00 1.34 C ATOM 1290 CD2 LEU A 80 9.981 -5.521 -2.374 1.00 0.74 C ATOM 0 H LEU A 80 14.347 -6.099 -0.358 1.00 0.45 H new ATOM 0 HA LEU A 80 11.602 -5.149 -0.151 1.00 0.41 H new ATOM 0 HB2 LEU A 80 13.288 -6.406 -2.133 1.00 0.50 H new ATOM 0 HB3 LEU A 80 11.851 -7.381 -1.897 1.00 0.50 H new ATOM 0 HG LEU A 80 11.798 -4.411 -2.477 1.00 0.58 H new ATOM 0 HD11 LEU A 80 11.161 -5.052 -4.769 1.00 1.34 H new ATOM 0 HD12 LEU A 80 12.796 -5.620 -4.354 1.00 1.34 H new ATOM 0 HD13 LEU A 80 11.432 -6.763 -4.360 1.00 1.34 H new ATOM 0 HD21 LEU A 80 9.434 -4.838 -3.024 1.00 0.74 H new ATOM 0 HD22 LEU A 80 9.636 -6.541 -2.546 1.00 0.74 H new ATOM 0 HD23 LEU A 80 9.806 -5.250 -1.333 1.00 0.74 H new ATOM 1302 N LYS A 81 10.434 -7.095 0.840 1.00 0.40 N ATOM 1303 CA LYS A 81 9.761 -8.144 1.584 1.00 0.44 C ATOM 1304 C LYS A 81 8.493 -8.556 0.852 1.00 0.38 C ATOM 1305 O LYS A 81 7.488 -7.848 0.874 1.00 0.36 O ATOM 1306 CB LYS A 81 9.419 -7.652 2.994 1.00 0.49 C ATOM 1307 CG LYS A 81 8.617 -8.645 3.814 1.00 0.60 C ATOM 1308 CD LYS A 81 8.139 -8.023 5.115 1.00 0.71 C ATOM 1309 CE LYS A 81 7.220 -8.962 5.878 1.00 1.18 C ATOM 1310 NZ LYS A 81 7.941 -10.148 6.410 1.00 1.87 N ATOM 0 H LYS A 81 9.835 -6.308 0.593 1.00 0.40 H new ATOM 0 HA LYS A 81 10.423 -9.006 1.666 1.00 0.44 H new ATOM 0 HB2 LYS A 81 10.344 -7.423 3.523 1.00 0.49 H new ATOM 0 HB3 LYS A 81 8.857 -6.721 2.917 1.00 0.49 H new ATOM 0 HG2 LYS A 81 7.760 -8.990 3.236 1.00 0.60 H new ATOM 0 HG3 LYS A 81 9.229 -9.521 4.030 1.00 0.60 H new ATOM 0 HD2 LYS A 81 8.999 -7.770 5.736 1.00 0.71 H new ATOM 0 HD3 LYS A 81 7.614 -7.092 4.903 1.00 0.71 H new ATOM 0 HE2 LYS A 81 6.756 -8.422 6.703 1.00 1.18 H new ATOM 0 HE3 LYS A 81 6.416 -9.293 5.221 1.00 1.18 H new ATOM 0 HZ1 LYS A 81 7.277 -10.750 6.937 1.00 1.87 H new ATOM 0 HZ2 LYS A 81 8.348 -10.689 5.621 1.00 1.87 H new ATOM 0 HZ3 LYS A 81 8.703 -9.835 7.045 1.00 1.87 H new ATOM 1324 N LYS A 82 8.555 -9.692 0.180 1.00 0.40 N ATOM 1325 CA LYS A 82 7.427 -10.190 -0.584 1.00 0.37 C ATOM 1326 C LYS A 82 6.615 -11.178 0.245 1.00 0.36 C ATOM 1327 O LYS A 82 7.111 -12.240 0.622 1.00 0.46 O ATOM 1328 CB LYS A 82 7.937 -10.849 -1.861 1.00 0.47 C ATOM 1329 CG LYS A 82 8.826 -9.936 -2.686 1.00 0.54 C ATOM 1330 CD LYS A 82 9.451 -10.670 -3.856 1.00 0.76 C ATOM 1331 CE LYS A 82 10.402 -9.771 -4.634 1.00 0.90 C ATOM 1332 NZ LYS A 82 11.020 -10.474 -5.790 1.00 1.10 N ATOM 0 H LYS A 82 9.381 -10.290 0.149 1.00 0.40 H new ATOM 0 HA LYS A 82 6.773 -9.358 -0.847 1.00 0.37 H new ATOM 0 HB2 LYS A 82 8.493 -11.750 -1.601 1.00 0.47 H new ATOM 0 HB3 LYS A 82 7.086 -11.162 -2.466 1.00 0.47 H new ATOM 0 HG2 LYS A 82 8.240 -9.094 -3.055 1.00 0.54 H new ATOM 0 HG3 LYS A 82 9.612 -9.524 -2.053 1.00 0.54 H new ATOM 0 HD2 LYS A 82 9.991 -11.544 -3.492 1.00 0.76 H new ATOM 0 HD3 LYS A 82 8.667 -11.033 -4.520 1.00 0.76 H new ATOM 0 HE2 LYS A 82 9.861 -8.895 -4.991 1.00 0.90 H new ATOM 0 HE3 LYS A 82 11.186 -9.412 -3.968 1.00 0.90 H new ATOM 0 HZ1 LYS A 82 11.672 -9.829 -6.280 1.00 1.10 H new ATOM 0 HZ2 LYS A 82 11.545 -11.305 -5.451 1.00 1.10 H new ATOM 0 HZ3 LYS A 82 10.276 -10.780 -6.449 1.00 1.10 H new ATOM 1346 N SER A 83 5.367 -10.828 0.521 1.00 0.31 N ATOM 1347 CA SER A 83 4.508 -11.653 1.358 1.00 0.36 C ATOM 1348 C SER A 83 3.091 -11.702 0.787 1.00 0.31 C ATOM 1349 O SER A 83 2.790 -11.042 -0.209 1.00 0.50 O ATOM 1350 CB SER A 83 4.471 -11.083 2.782 1.00 0.46 C ATOM 1351 OG SER A 83 5.774 -10.772 3.248 1.00 1.12 O ATOM 0 H SER A 83 4.926 -9.976 0.176 1.00 0.31 H new ATOM 0 HA SER A 83 4.911 -12.665 1.381 1.00 0.36 H new ATOM 0 HB2 SER A 83 3.852 -10.186 2.801 1.00 0.46 H new ATOM 0 HB3 SER A 83 4.006 -11.805 3.453 1.00 0.46 H new ATOM 0 HG SER A 83 5.907 -11.167 4.135 1.00 1.12 H new ATOM 1357 N THR A 84 2.237 -12.508 1.398 1.00 0.25 N ATOM 1358 CA THR A 84 0.827 -12.554 1.043 1.00 0.23 C ATOM 1359 C THR A 84 -0.011 -12.500 2.312 1.00 0.22 C ATOM 1360 O THR A 84 0.033 -13.417 3.127 1.00 0.29 O ATOM 1361 CB THR A 84 0.495 -13.830 0.245 1.00 0.27 C ATOM 1362 OG1 THR A 84 1.538 -14.076 -0.705 1.00 0.35 O ATOM 1363 CG2 THR A 84 -0.827 -13.689 -0.492 1.00 0.27 C ATOM 0 H THR A 84 2.499 -13.145 2.150 1.00 0.25 H new ATOM 0 HA THR A 84 0.598 -11.696 0.411 1.00 0.23 H new ATOM 0 HB THR A 84 0.413 -14.662 0.945 1.00 0.27 H new ATOM 0 HG1 THR A 84 1.332 -14.888 -1.214 1.00 0.35 H new ATOM 0 HG21 THR A 84 -1.034 -14.605 -1.046 1.00 0.27 H new ATOM 0 HG22 THR A 84 -1.627 -13.511 0.227 1.00 0.27 H new ATOM 0 HG23 THR A 84 -0.769 -12.850 -1.186 1.00 0.27 H new ATOM 1371 N ASN A 85 -0.746 -11.411 2.484 1.00 0.18 N ATOM 1372 CA ASN A 85 -1.536 -11.194 3.690 1.00 0.18 C ATOM 1373 C ASN A 85 -2.676 -10.239 3.396 1.00 0.17 C ATOM 1374 O ASN A 85 -2.640 -9.504 2.408 1.00 0.18 O ATOM 1375 CB ASN A 85 -0.670 -10.616 4.817 1.00 0.21 C ATOM 1376 CG ASN A 85 -0.552 -11.537 6.019 1.00 0.30 C ATOM 1377 OD1 ASN A 85 -0.643 -12.758 5.904 1.00 0.61 O ATOM 1378 ND2 ASN A 85 -0.331 -10.948 7.184 1.00 0.37 N ATOM 0 H ASN A 85 -0.813 -10.658 1.799 1.00 0.18 H new ATOM 0 HA ASN A 85 -1.934 -12.157 4.012 1.00 0.18 H new ATOM 0 HB2 ASN A 85 0.327 -10.408 4.429 1.00 0.21 H new ATOM 0 HB3 ASN A 85 -1.092 -9.664 5.138 1.00 0.21 H new ATOM 0 HD21 ASN A 85 -0.230 -11.511 8.029 1.00 0.37 H new ATOM 0 HD22 ASN A 85 -0.262 -9.932 7.237 1.00 0.37 H new ATOM 1385 N LYS A 86 -3.700 -10.280 4.232 1.00 0.19 N ATOM 1386 CA LYS A 86 -4.806 -9.347 4.137 1.00 0.19 C ATOM 1387 C LYS A 86 -4.351 -7.988 4.641 1.00 0.18 C ATOM 1388 O LYS A 86 -3.216 -7.846 5.088 1.00 0.21 O ATOM 1389 CB LYS A 86 -5.983 -9.858 4.966 1.00 0.24 C ATOM 1390 CG LYS A 86 -6.242 -11.337 4.766 1.00 0.37 C ATOM 1391 CD LYS A 86 -7.437 -11.813 5.560 1.00 0.33 C ATOM 1392 CE LYS A 86 -7.515 -13.327 5.587 1.00 0.55 C ATOM 1393 NZ LYS A 86 -6.318 -13.936 6.231 1.00 1.17 N ATOM 0 H LYS A 86 -3.787 -10.957 4.990 1.00 0.19 H new ATOM 0 HA LYS A 86 -5.128 -9.255 3.100 1.00 0.19 H new ATOM 0 HB2 LYS A 86 -5.789 -9.667 6.021 1.00 0.24 H new ATOM 0 HB3 LYS A 86 -6.879 -9.297 4.701 1.00 0.24 H new ATOM 0 HG2 LYS A 86 -6.407 -11.537 3.707 1.00 0.37 H new ATOM 0 HG3 LYS A 86 -5.360 -11.903 5.064 1.00 0.37 H new ATOM 0 HD2 LYS A 86 -7.374 -11.432 6.579 1.00 0.33 H new ATOM 0 HD3 LYS A 86 -8.350 -11.408 5.124 1.00 0.33 H new ATOM 0 HE2 LYS A 86 -8.412 -13.634 6.125 1.00 0.55 H new ATOM 0 HE3 LYS A 86 -7.610 -13.703 4.568 1.00 0.55 H new ATOM 0 HZ1 LYS A 86 -6.622 -14.635 6.938 1.00 1.17 H new ATOM 0 HZ2 LYS A 86 -5.736 -14.405 5.508 1.00 1.17 H new ATOM 0 HZ3 LYS A 86 -5.759 -13.193 6.697 1.00 1.17 H new ATOM 1407 N PHE A 87 -5.201 -6.987 4.552 1.00 0.17 N ATOM 1408 CA PHE A 87 -4.870 -5.683 5.101 1.00 0.18 C ATOM 1409 C PHE A 87 -6.123 -4.879 5.401 1.00 0.18 C ATOM 1410 O PHE A 87 -7.178 -5.110 4.813 1.00 0.19 O ATOM 1411 CB PHE A 87 -3.940 -4.907 4.158 1.00 0.20 C ATOM 1412 CG PHE A 87 -4.404 -4.848 2.727 1.00 0.18 C ATOM 1413 CD1 PHE A 87 -5.435 -4.005 2.347 1.00 0.22 C ATOM 1414 CD2 PHE A 87 -3.799 -5.634 1.763 1.00 0.27 C ATOM 1415 CE1 PHE A 87 -5.855 -3.951 1.031 1.00 0.22 C ATOM 1416 CE2 PHE A 87 -4.213 -5.581 0.447 1.00 0.29 C ATOM 1417 CZ PHE A 87 -5.242 -4.740 0.081 1.00 0.20 C ATOM 0 H PHE A 87 -6.118 -7.046 4.110 1.00 0.17 H new ATOM 0 HA PHE A 87 -4.342 -5.846 6.040 1.00 0.18 H new ATOM 0 HB2 PHE A 87 -3.831 -3.889 4.533 1.00 0.20 H new ATOM 0 HB3 PHE A 87 -2.951 -5.365 4.187 1.00 0.20 H new ATOM 0 HD1 PHE A 87 -5.916 -3.383 3.087 1.00 0.22 H new ATOM 0 HD2 PHE A 87 -2.994 -6.297 2.043 1.00 0.27 H new ATOM 0 HE1 PHE A 87 -6.662 -3.292 0.748 1.00 0.22 H new ATOM 0 HE2 PHE A 87 -3.730 -6.199 -0.296 1.00 0.29 H new ATOM 0 HZ PHE A 87 -5.567 -4.699 -0.948 1.00 0.20 H new ATOM 1427 N CYS A 88 -6.011 -3.962 6.345 1.00 0.20 N ATOM 1428 CA CYS A 88 -7.107 -3.082 6.676 1.00 0.20 C ATOM 1429 C CYS A 88 -6.902 -1.737 6.004 1.00 0.20 C ATOM 1430 O CYS A 88 -5.913 -1.042 6.263 1.00 0.23 O ATOM 1431 CB CYS A 88 -7.219 -2.893 8.186 1.00 0.25 C ATOM 1432 SG CYS A 88 -8.543 -1.743 8.686 1.00 0.49 S ATOM 0 H CYS A 88 -5.166 -3.810 6.896 1.00 0.20 H new ATOM 0 HA CYS A 88 -8.032 -3.534 6.318 1.00 0.20 H new ATOM 0 HB2 CYS A 88 -7.397 -3.862 8.652 1.00 0.25 H new ATOM 0 HB3 CYS A 88 -6.267 -2.525 8.569 1.00 0.25 H new ATOM 1437 N VAL A 89 -7.817 -1.380 5.126 1.00 0.21 N ATOM 1438 CA VAL A 89 -7.771 -0.091 4.470 1.00 0.22 C ATOM 1439 C VAL A 89 -8.864 0.807 5.016 1.00 0.24 C ATOM 1440 O VAL A 89 -9.975 0.348 5.289 1.00 0.24 O ATOM 1441 CB VAL A 89 -7.912 -0.209 2.935 1.00 0.21 C ATOM 1442 CG1 VAL A 89 -6.652 -0.805 2.334 1.00 0.22 C ATOM 1443 CG2 VAL A 89 -9.127 -1.048 2.558 1.00 0.20 C ATOM 0 H VAL A 89 -8.604 -1.967 4.850 1.00 0.21 H new ATOM 0 HA VAL A 89 -6.793 0.343 4.678 1.00 0.22 H new ATOM 0 HB VAL A 89 -8.055 0.793 2.531 1.00 0.21 H new ATOM 0 HG11 VAL A 89 -6.766 -0.882 1.253 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -5.801 -0.164 2.564 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -6.483 -1.797 2.753 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -9.201 -1.114 1.473 1.00 0.20 H new ATOM 0 HG22 VAL A 89 -9.022 -2.049 2.976 1.00 0.20 H new ATOM 0 HG23 VAL A 89 -10.029 -0.582 2.956 1.00 0.20 H new ATOM 1453 N THR A 90 -8.543 2.070 5.221 1.00 0.26 N ATOM 1454 CA THR A 90 -9.540 3.017 5.653 1.00 0.28 C ATOM 1455 C THR A 90 -10.348 3.465 4.443 1.00 0.25 C ATOM 1456 O THR A 90 -9.850 4.214 3.599 1.00 0.25 O ATOM 1457 CB THR A 90 -8.901 4.245 6.324 1.00 0.33 C ATOM 1458 OG1 THR A 90 -7.955 3.819 7.311 1.00 0.35 O ATOM 1459 CG2 THR A 90 -9.957 5.122 6.980 1.00 0.40 C ATOM 0 H THR A 90 -7.608 2.457 5.096 1.00 0.26 H new ATOM 0 HA THR A 90 -10.183 2.531 6.387 1.00 0.28 H new ATOM 0 HB THR A 90 -8.396 4.829 5.554 1.00 0.33 H new ATOM 0 HG1 THR A 90 -7.788 4.550 7.942 1.00 0.35 H new ATOM 0 HG21 THR A 90 -9.477 5.982 7.446 1.00 0.40 H new ATOM 0 HG22 THR A 90 -10.664 5.466 6.225 1.00 0.40 H new ATOM 0 HG23 THR A 90 -10.487 4.547 7.739 1.00 0.40 H new ATOM 1467 N CYS A 91 -11.572 2.987 4.348 1.00 0.23 N ATOM 1468 CA CYS A 91 -12.432 3.323 3.231 1.00 0.22 C ATOM 1469 C CYS A 91 -13.169 4.626 3.484 1.00 0.25 C ATOM 1470 O CYS A 91 -13.852 4.775 4.495 1.00 0.29 O ATOM 1471 CB CYS A 91 -13.425 2.193 2.992 1.00 0.20 C ATOM 1472 SG CYS A 91 -12.629 0.605 2.606 1.00 0.20 S ATOM 0 H CYS A 91 -11.995 2.362 5.034 1.00 0.23 H new ATOM 0 HA CYS A 91 -11.813 3.454 2.343 1.00 0.22 H new ATOM 0 HB2 CYS A 91 -14.048 2.073 3.878 1.00 0.20 H new ATOM 0 HB3 CYS A 91 -14.087 2.468 2.171 1.00 0.20 H new ATOM 1477 N GLU A 92 -13.006 5.572 2.575 1.00 0.24 N ATOM 1478 CA GLU A 92 -13.679 6.851 2.679 1.00 0.29 C ATOM 1479 C GLU A 92 -14.146 7.295 1.296 1.00 0.27 C ATOM 1480 O GLU A 92 -13.359 7.319 0.352 1.00 0.27 O ATOM 1481 CB GLU A 92 -12.737 7.893 3.279 1.00 0.38 C ATOM 1482 CG GLU A 92 -13.452 9.067 3.921 1.00 0.48 C ATOM 1483 CD GLU A 92 -12.498 10.142 4.393 1.00 0.56 C ATOM 1484 OE1 GLU A 92 -11.993 10.904 3.543 1.00 0.76 O ATOM 1485 OE2 GLU A 92 -12.248 10.228 5.612 1.00 0.76 O ATOM 0 H GLU A 92 -12.410 5.475 1.753 1.00 0.24 H new ATOM 0 HA GLU A 92 -14.545 6.750 3.333 1.00 0.29 H new ATOM 0 HB2 GLU A 92 -12.106 7.411 4.026 1.00 0.38 H new ATOM 0 HB3 GLU A 92 -12.077 8.266 2.496 1.00 0.38 H new ATOM 0 HG2 GLU A 92 -14.152 9.497 3.205 1.00 0.48 H new ATOM 0 HG3 GLU A 92 -14.040 8.711 4.767 1.00 0.48 H new ATOM 1492 N ASN A 93 -15.434 7.607 1.181 1.00 0.29 N ATOM 1493 CA ASN A 93 -16.029 8.036 -0.089 1.00 0.31 C ATOM 1494 C ASN A 93 -15.849 6.968 -1.165 1.00 0.28 C ATOM 1495 O ASN A 93 -15.652 7.282 -2.342 1.00 0.31 O ATOM 1496 CB ASN A 93 -15.429 9.368 -0.566 1.00 0.35 C ATOM 1497 CG ASN A 93 -15.633 10.499 0.426 1.00 0.43 C ATOM 1498 OD1 ASN A 93 -14.617 10.779 1.228 1.00 0.69 O flip ATOM 1499 ND2 ASN A 93 -16.685 11.137 0.449 1.00 0.65 N flip ATOM 0 H ASN A 93 -16.094 7.571 1.958 1.00 0.29 H new ATOM 0 HA ASN A 93 -17.095 8.182 0.085 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -14.362 9.236 -0.744 1.00 0.35 H new ATOM 0 HB3 ASN A 93 -15.880 9.643 -1.520 1.00 0.35 H new ATOM 0 HD21 ASN A 93 -17.445 10.890 -0.185 1.00 0.65 H new ATOM 0 HD22 ASN A 93 -16.797 11.912 1.102 1.00 0.65 H new ATOM 1506 N GLN A 94 -15.929 5.706 -0.742 1.00 0.26 N ATOM 1507 CA GLN A 94 -15.852 4.549 -1.636 1.00 0.25 C ATOM 1508 C GLN A 94 -14.449 4.354 -2.194 1.00 0.22 C ATOM 1509 O GLN A 94 -14.263 3.705 -3.226 1.00 0.26 O ATOM 1510 CB GLN A 94 -16.866 4.659 -2.776 1.00 0.31 C ATOM 1511 CG GLN A 94 -18.308 4.636 -2.301 1.00 0.36 C ATOM 1512 CD GLN A 94 -19.302 4.571 -3.440 1.00 0.44 C ATOM 1513 OE1 GLN A 94 -20.428 5.056 -3.328 1.00 0.69 O ATOM 1514 NE2 GLN A 94 -18.891 3.983 -4.549 1.00 0.48 N ATOM 0 H GLN A 94 -16.050 5.455 0.239 1.00 0.26 H new ATOM 0 HA GLN A 94 -16.098 3.672 -1.037 1.00 0.25 H new ATOM 0 HB2 GLN A 94 -16.686 5.583 -3.325 1.00 0.31 H new ATOM 0 HB3 GLN A 94 -16.708 3.837 -3.475 1.00 0.31 H new ATOM 0 HG2 GLN A 94 -18.456 3.777 -1.647 1.00 0.36 H new ATOM 0 HG3 GLN A 94 -18.503 5.528 -1.705 1.00 0.36 H new ATOM 0 HE21 GLN A 94 -17.950 3.594 -4.601 1.00 0.48 H new ATOM 0 HE22 GLN A 94 -19.515 3.918 -5.353 1.00 0.48 H new ATOM 1523 N ALA A 95 -13.464 4.898 -1.505 1.00 0.20 N ATOM 1524 CA ALA A 95 -12.078 4.727 -1.904 1.00 0.19 C ATOM 1525 C ALA A 95 -11.173 4.575 -0.688 1.00 0.17 C ATOM 1526 O ALA A 95 -11.354 5.258 0.319 1.00 0.19 O ATOM 1527 CB ALA A 95 -11.626 5.904 -2.754 1.00 0.21 C ATOM 0 H ALA A 95 -13.597 5.462 -0.666 1.00 0.20 H new ATOM 0 HA ALA A 95 -12.005 3.815 -2.496 1.00 0.19 H new ATOM 0 HB1 ALA A 95 -10.585 5.763 -3.046 1.00 0.21 H new ATOM 0 HB2 ALA A 95 -12.248 5.968 -3.647 1.00 0.21 H new ATOM 0 HB3 ALA A 95 -11.720 6.825 -2.179 1.00 0.21 H new ATOM 1533 N PRO A 96 -10.221 3.634 -0.750 1.00 0.16 N ATOM 1534 CA PRO A 96 -9.172 3.503 0.265 1.00 0.17 C ATOM 1535 C PRO A 96 -8.333 4.774 0.364 1.00 0.19 C ATOM 1536 O PRO A 96 -7.678 5.168 -0.599 1.00 0.25 O ATOM 1537 CB PRO A 96 -8.311 2.338 -0.237 1.00 0.19 C ATOM 1538 CG PRO A 96 -9.170 1.599 -1.208 1.00 0.17 C ATOM 1539 CD PRO A 96 -10.114 2.608 -1.797 1.00 0.17 C ATOM 0 HA PRO A 96 -9.584 3.334 1.260 1.00 0.17 H new ATOM 0 HB2 PRO A 96 -7.400 2.700 -0.714 1.00 0.19 H new ATOM 0 HB3 PRO A 96 -8.004 1.693 0.586 1.00 0.19 H new ATOM 0 HG2 PRO A 96 -8.564 1.134 -1.986 1.00 0.17 H new ATOM 0 HG3 PRO A 96 -9.718 0.799 -0.710 1.00 0.17 H new ATOM 0 HD2 PRO A 96 -9.727 3.024 -2.727 1.00 0.17 H new ATOM 0 HD3 PRO A 96 -11.083 2.165 -2.025 1.00 0.17 H new ATOM 1547 N VAL A 97 -8.374 5.428 1.518 1.00 0.20 N ATOM 1548 CA VAL A 97 -7.665 6.690 1.698 1.00 0.24 C ATOM 1549 C VAL A 97 -6.469 6.549 2.640 1.00 0.27 C ATOM 1550 O VAL A 97 -5.455 7.227 2.477 1.00 0.35 O ATOM 1551 CB VAL A 97 -8.607 7.798 2.219 1.00 0.29 C ATOM 1552 CG1 VAL A 97 -9.682 8.117 1.191 1.00 0.33 C ATOM 1553 CG2 VAL A 97 -9.246 7.392 3.534 1.00 0.35 C ATOM 0 H VAL A 97 -8.887 5.108 2.339 1.00 0.20 H new ATOM 0 HA VAL A 97 -7.293 6.975 0.714 1.00 0.24 H new ATOM 0 HB VAL A 97 -8.009 8.693 2.388 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -10.335 8.900 1.578 1.00 0.33 H new ATOM 0 HG12 VAL A 97 -9.213 8.459 0.268 1.00 0.33 H new ATOM 0 HG13 VAL A 97 -10.270 7.221 0.989 1.00 0.33 H new ATOM 0 HG21 VAL A 97 -9.905 8.189 3.880 1.00 0.35 H new ATOM 0 HG22 VAL A 97 -9.825 6.479 3.391 1.00 0.35 H new ATOM 0 HG23 VAL A 97 -8.468 7.216 4.277 1.00 0.35 H new ATOM 1563 N HIS A 98 -6.584 5.669 3.626 1.00 0.30 N ATOM 1564 CA HIS A 98 -5.511 5.460 4.593 1.00 0.35 C ATOM 1565 C HIS A 98 -5.219 3.978 4.738 1.00 0.31 C ATOM 1566 O HIS A 98 -6.098 3.140 4.525 1.00 0.31 O ATOM 1567 CB HIS A 98 -5.872 6.046 5.966 1.00 0.42 C ATOM 1568 CG HIS A 98 -5.804 7.545 6.044 1.00 0.57 C ATOM 1569 ND1 HIS A 98 -4.959 8.212 6.904 1.00 1.03 N ATOM 1570 CD2 HIS A 98 -6.498 8.504 5.387 1.00 0.75 C ATOM 1571 CE1 HIS A 98 -5.136 9.512 6.770 1.00 1.08 C ATOM 1572 NE2 HIS A 98 -6.064 9.717 5.855 1.00 0.82 N ATOM 0 H HIS A 98 -7.408 5.088 3.778 1.00 0.30 H new ATOM 0 HA HIS A 98 -4.625 5.975 4.221 1.00 0.35 H new ATOM 0 HB2 HIS A 98 -6.881 5.727 6.229 1.00 0.42 H new ATOM 0 HB3 HIS A 98 -5.200 5.626 6.714 1.00 0.42 H new ATOM 0 HD2 HIS A 98 -7.254 8.343 4.633 1.00 0.75 H new ATOM 0 HE1 HIS A 98 -4.610 10.280 7.317 1.00 1.08 H new ATOM 0 HE2 HIS A 98 -6.403 10.628 5.547 1.00 0.82 H new ATOM 1581 N PHE A 99 -3.988 3.653 5.094 1.00 0.31 N ATOM 1582 CA PHE A 99 -3.600 2.268 5.294 1.00 0.29 C ATOM 1583 C PHE A 99 -3.438 1.991 6.780 1.00 0.29 C ATOM 1584 O PHE A 99 -2.617 2.617 7.452 1.00 0.36 O ATOM 1585 CB PHE A 99 -2.298 1.967 4.547 1.00 0.31 C ATOM 1586 CG PHE A 99 -2.002 0.499 4.425 1.00 0.30 C ATOM 1587 CD1 PHE A 99 -2.716 -0.297 3.544 1.00 0.29 C ATOM 1588 CD2 PHE A 99 -1.010 -0.082 5.198 1.00 0.32 C ATOM 1589 CE1 PHE A 99 -2.443 -1.648 3.437 1.00 0.29 C ATOM 1590 CE2 PHE A 99 -0.734 -1.430 5.096 1.00 0.33 C ATOM 1591 CZ PHE A 99 -1.457 -2.213 4.184 1.00 0.31 C ATOM 0 H PHE A 99 -3.241 4.329 5.250 1.00 0.31 H new ATOM 0 HA PHE A 99 -4.380 1.618 4.896 1.00 0.29 H new ATOM 0 HB2 PHE A 99 -2.352 2.403 3.549 1.00 0.31 H new ATOM 0 HB3 PHE A 99 -1.471 2.454 5.064 1.00 0.31 H new ATOM 0 HD1 PHE A 99 -3.493 0.142 2.935 1.00 0.29 H new ATOM 0 HD2 PHE A 99 -0.446 0.527 5.889 1.00 0.32 H new ATOM 0 HE1 PHE A 99 -3.017 -2.259 2.756 1.00 0.29 H new ATOM 0 HE2 PHE A 99 0.031 -1.878 5.712 1.00 0.33 H new ATOM 0 HZ PHE A 99 -1.231 -3.263 4.075 1.00 0.31 H new ATOM 1601 N VAL A 100 -4.234 1.063 7.287 1.00 0.28 N ATOM 1602 CA VAL A 100 -4.247 0.755 8.709 1.00 0.28 C ATOM 1603 C VAL A 100 -3.144 -0.244 9.066 1.00 0.28 C ATOM 1604 O VAL A 100 -2.278 0.041 9.892 1.00 0.32 O ATOM 1605 CB VAL A 100 -5.625 0.195 9.132 1.00 0.27 C ATOM 1606 CG1 VAL A 100 -5.632 -0.214 10.597 1.00 0.29 C ATOM 1607 CG2 VAL A 100 -6.724 1.215 8.851 1.00 0.29 C ATOM 0 H VAL A 100 -4.884 0.507 6.731 1.00 0.28 H new ATOM 0 HA VAL A 100 -4.061 1.682 9.252 1.00 0.28 H new ATOM 0 HB VAL A 100 -5.820 -0.699 8.539 1.00 0.27 H new ATOM 0 HG11 VAL A 100 -6.615 -0.603 10.861 1.00 0.29 H new ATOM 0 HG12 VAL A 100 -4.880 -0.985 10.763 1.00 0.29 H new ATOM 0 HG13 VAL A 100 -5.406 0.653 11.218 1.00 0.29 H new ATOM 0 HG21 VAL A 100 -7.687 0.805 9.155 1.00 0.29 H new ATOM 0 HG22 VAL A 100 -6.525 2.128 9.412 1.00 0.29 H new ATOM 0 HG23 VAL A 100 -6.746 1.442 7.785 1.00 0.29 H new ATOM 1617 N GLY A 101 -3.173 -1.404 8.428 1.00 0.28 N ATOM 1618 CA GLY A 101 -2.183 -2.429 8.699 1.00 0.29 C ATOM 1619 C GLY A 101 -2.470 -3.693 7.929 1.00 0.25 C ATOM 1620 O GLY A 101 -3.489 -3.774 7.245 1.00 0.28 O ATOM 0 H GLY A 101 -3.867 -1.656 7.724 1.00 0.28 H new ATOM 0 HA2 GLY A 101 -1.193 -2.058 8.435 1.00 0.29 H new ATOM 0 HA3 GLY A 101 -2.168 -2.648 9.767 1.00 0.29 H new ATOM 1624 N VAL A 102 -1.592 -4.679 8.035 1.00 0.25 N ATOM 1625 CA VAL A 102 -1.753 -5.916 7.285 1.00 0.22 C ATOM 1626 C VAL A 102 -2.169 -7.061 8.205 1.00 0.24 C ATOM 1627 O VAL A 102 -1.965 -7.010 9.419 1.00 0.28 O ATOM 1628 CB VAL A 102 -0.479 -6.309 6.497 1.00 0.24 C ATOM 1629 CG1 VAL A 102 0.226 -5.082 5.942 1.00 0.27 C ATOM 1630 CG2 VAL A 102 0.467 -7.153 7.335 1.00 0.25 C ATOM 0 H VAL A 102 -0.764 -4.648 8.630 1.00 0.25 H new ATOM 0 HA VAL A 102 -2.543 -5.732 6.557 1.00 0.22 H new ATOM 0 HB VAL A 102 -0.799 -6.922 5.654 1.00 0.24 H new ATOM 0 HG11 VAL A 102 1.116 -5.391 5.394 1.00 0.27 H new ATOM 0 HG12 VAL A 102 -0.447 -4.549 5.270 1.00 0.27 H new ATOM 0 HG13 VAL A 102 0.515 -4.426 6.763 1.00 0.27 H new ATOM 0 HG21 VAL A 102 1.348 -7.407 6.745 1.00 0.25 H new ATOM 0 HG22 VAL A 102 0.772 -6.591 8.218 1.00 0.25 H new ATOM 0 HG23 VAL A 102 -0.039 -8.068 7.644 1.00 0.25 H new ATOM 1640 N GLY A 103 -2.790 -8.067 7.620 1.00 0.24 N ATOM 1641 CA GLY A 103 -3.229 -9.221 8.372 1.00 0.29 C ATOM 1642 C GLY A 103 -4.624 -9.027 8.918 1.00 0.28 C ATOM 1643 O GLY A 103 -5.545 -9.777 8.594 1.00 0.34 O ATOM 0 H GLY A 103 -3.001 -8.106 6.623 1.00 0.24 H new ATOM 0 HA2 GLY A 103 -3.207 -10.103 7.733 1.00 0.29 H new ATOM 0 HA3 GLY A 103 -2.538 -9.406 9.194 1.00 0.29 H new ATOM 1647 N SER A 104 -4.775 -8.014 9.747 1.00 0.33 N ATOM 1648 CA SER A 104 -6.050 -7.663 10.335 1.00 0.32 C ATOM 1649 C SER A 104 -6.081 -6.168 10.594 1.00 0.39 C ATOM 1650 O SER A 104 -5.105 -5.468 10.323 1.00 0.59 O ATOM 1651 CB SER A 104 -6.244 -8.429 11.636 1.00 0.45 C ATOM 1652 OG SER A 104 -6.165 -9.831 11.424 1.00 1.38 O ATOM 0 H SER A 104 -4.008 -7.406 10.034 1.00 0.33 H new ATOM 0 HA SER A 104 -6.858 -7.927 9.653 1.00 0.32 H new ATOM 0 HB2 SER A 104 -5.485 -8.124 12.357 1.00 0.45 H new ATOM 0 HB3 SER A 104 -7.213 -8.178 12.068 1.00 0.45 H new ATOM 0 HG SER A 104 -6.291 -10.298 12.276 1.00 1.38 H new ATOM 1658 N CYS A 105 -7.194 -5.679 11.099 1.00 0.39 N ATOM 1659 CA CYS A 105 -7.307 -4.276 11.428 1.00 0.53 C ATOM 1660 C CYS A 105 -7.161 -4.105 12.931 1.00 0.48 C ATOM 1661 O CYS A 105 -8.077 -4.528 13.668 1.00 1.10 O ATOM 1662 CB CYS A 105 -8.640 -3.707 10.945 1.00 0.82 C ATOM 1663 SG CYS A 105 -8.618 -1.913 10.705 1.00 1.01 S ATOM 1664 OXT CYS A 105 -6.116 -3.588 13.371 1.00 1.20 O ATOM 0 H CYS A 105 -8.030 -6.231 11.290 1.00 0.39 H new ATOM 0 HA CYS A 105 -6.514 -3.725 10.923 1.00 0.53 H new ATOM 0 HB2 CYS A 105 -8.911 -4.188 10.005 1.00 0.82 H new ATOM 0 HB3 CYS A 105 -9.416 -3.959 11.668 1.00 0.82 H new TER 1669 CYS A 105