USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1136 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 75 THR OG1 : rot 4:sc= 0.283 USER MOD Set 1.2: A 78 THR OG1 : rot 80:sc= 1.78 USER MOD Set 2.1: A 5 ASN : amide:sc= 1.43 K(o=1.6,f=-0.97!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.197 K(o=1.6,f=-0.97) USER MOD Single : A 4 SER OG : rot -30:sc= 0.162 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.16! K(o=-1.2!,f=-0.0024) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -151:sc= 1.22 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0379 USER MOD Single : A 26 GLN : amide:sc= 0.74 K(o=0.74,f=-0.086) USER MOD Single : A 43 SER OG : rot 171:sc= 0.753 USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.975) USER MOD Single : A 48 GLN : amide:sc= 0.479 K(o=0.48,f=-4.8!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 69 THR OG1 : rot -99:sc= 1.32 USER MOD Single : A 70 SER OG : rot -85:sc= 0.549 USER MOD Single : A 71 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.002) USER MOD Single : A 73 HIS : no HD1:sc= -1 K(o=-1,f=-0.25) USER MOD Single : A 80 TYR OH : rot -132:sc= 0.924 USER MOD Single : A 81 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.039) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.072 X(o=0.072,f=-0.23) USER MOD Single : A 88 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.91) USER MOD Single : A 96 ASN : amide:sc= -0.791 K(o=-0.79,f=0) USER MOD Single : A 105 SER OG : rot 69:sc= 1.16 USER MOD Single : A 111 CYS SG : rot -26:sc= 0.269 USER MOD Single : A 114 SER OG : rot 87:sc= -0.459 USER MOD Single : A 117 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0241) USER MOD Single : A 119 MET CE :methyl -154:sc= -4.04! (180deg=-6.61!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl -115:sc= -4.25! (180deg=-7.08!) USER MOD Single : A 132 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 133 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 137 HIS : no HD1:sc= 0.378 K(o=0.38,f=-3.3!) USER MOD Single : A 143 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.13) USER MOD Single : A 145 ASN : amide:sc= 1.16 K(o=1.2,f=-0.015) USER MOD Single : A 150 THR OG1 : rot -179:sc= 1.24 USER MOD Single : A 157 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.021) USER MOD Single : A 158 ASN : amide:sc= -1.43! K(o=-1.4!,f=0) USER MOD Single : A 163 SER OG : rot -82:sc= 0.541 USER MOD Single : A 165 LYS NZ :NH3+ 168:sc= -0.046 (180deg=-0.326) USER MOD Single : A 167 GLN : amide:sc= -1.96! C(o=-2!,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 5.731 -0.818 13.166 1.00 0.88 N ATOM 49 CA SER A 4 4.380 -0.835 12.626 1.00 0.77 C ATOM 50 C SER A 4 4.385 -0.400 11.159 1.00 0.62 C ATOM 51 O SER A 4 3.591 -0.889 10.357 1.00 0.64 O ATOM 52 CB SER A 4 3.454 0.048 13.469 1.00 1.02 C ATOM 53 OG SER A 4 4.010 1.336 13.673 1.00 1.34 O ATOM 0 HA SER A 4 3.997 -1.855 12.670 1.00 0.77 H new ATOM 0 HB2 SER A 4 2.488 0.142 12.973 1.00 1.02 H new ATOM 0 HB3 SER A 4 3.273 -0.428 14.433 1.00 1.02 H new ATOM 0 HG SER A 4 4.988 1.272 13.683 1.00 1.34 H new ATOM 59 N ASN A 5 5.297 0.503 10.806 1.00 0.59 N ATOM 60 CA ASN A 5 5.475 0.889 9.406 1.00 0.55 C ATOM 61 C ASN A 5 6.030 -0.283 8.603 1.00 0.43 C ATOM 62 O ASN A 5 5.689 -0.467 7.434 1.00 0.44 O ATOM 63 CB ASN A 5 6.410 2.103 9.278 1.00 0.65 C ATOM 64 CG ASN A 5 5.730 3.414 9.654 1.00 0.94 C ATOM 65 OD1 ASN A 5 4.523 3.579 9.465 1.00 1.71 O ATOM 66 ND2 ASN A 5 6.498 4.356 10.189 1.00 0.67 N ATOM 0 H ASN A 5 5.919 0.977 11.461 1.00 0.59 H new ATOM 0 HA ASN A 5 4.499 1.167 9.008 1.00 0.55 H new ATOM 0 HB2 ASN A 5 7.281 1.954 9.917 1.00 0.65 H new ATOM 0 HB3 ASN A 5 6.774 2.169 8.253 1.00 0.65 H new ATOM 0 HD21 ASN A 5 6.093 5.252 10.459 1.00 0.67 H new ATOM 0 HD22 ASN A 5 7.493 4.183 10.330 1.00 0.67 H new ATOM 73 N ARG A 6 6.875 -1.090 9.243 1.00 0.41 N ATOM 74 CA ARG A 6 7.448 -2.264 8.601 1.00 0.41 C ATOM 75 C ARG A 6 6.367 -3.303 8.309 1.00 0.37 C ATOM 76 O ARG A 6 6.475 -4.060 7.345 1.00 0.38 O ATOM 77 CB ARG A 6 8.550 -2.877 9.477 1.00 0.54 C ATOM 78 CG ARG A 6 9.362 -3.950 8.765 1.00 0.65 C ATOM 79 CD ARG A 6 10.469 -4.516 9.645 1.00 0.83 C ATOM 80 NE ARG A 6 9.951 -5.247 10.802 1.00 1.50 N ATOM 81 CZ ARG A 6 10.538 -6.324 11.324 1.00 2.14 C ATOM 82 NH1 ARG A 6 11.629 -6.834 10.759 1.00 2.16 N ATOM 83 NH2 ARG A 6 10.026 -6.899 12.407 1.00 3.18 N ATOM 0 H ARG A 6 7.176 -0.949 10.207 1.00 0.41 H new ATOM 0 HA ARG A 6 7.890 -1.950 7.656 1.00 0.41 H new ATOM 0 HB2 ARG A 6 9.221 -2.085 9.810 1.00 0.54 H new ATOM 0 HB3 ARG A 6 8.097 -3.308 10.370 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.699 -4.758 8.454 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.800 -3.530 7.859 1.00 0.65 H new ATOM 0 HD2 ARG A 6 11.096 -5.181 9.051 1.00 0.83 H new ATOM 0 HD3 ARG A 6 11.106 -3.701 9.990 1.00 0.83 H new ATOM 0 HE ARG A 6 9.090 -4.913 11.235 1.00 1.50 H new ATOM 0 HH11 ARG A 6 12.020 -6.401 9.922 1.00 2.16 H new ATOM 0 HH12 ARG A 6 12.074 -7.658 11.162 1.00 2.16 H new ATOM 0 HH21 ARG A 6 9.185 -6.516 12.838 1.00 3.18 H new ATOM 0 HH22 ARG A 6 10.474 -7.723 12.807 1.00 3.18 H new ATOM 97 N GLU A 7 5.316 -3.321 9.134 1.00 0.36 N ATOM 98 CA GLU A 7 4.197 -4.244 8.936 1.00 0.37 C ATOM 99 C GLU A 7 3.552 -4.009 7.581 1.00 0.29 C ATOM 100 O GLU A 7 3.206 -4.953 6.869 1.00 0.29 O ATOM 101 CB GLU A 7 3.127 -4.060 10.013 1.00 0.46 C ATOM 102 CG GLU A 7 3.585 -4.372 11.426 1.00 0.60 C ATOM 103 CD GLU A 7 2.466 -4.192 12.429 1.00 1.39 C ATOM 104 OE1 GLU A 7 2.259 -3.054 12.897 1.00 2.00 O ATOM 105 OE2 GLU A 7 1.770 -5.185 12.733 1.00 1.58 O ATOM 0 H GLU A 7 5.218 -2.708 9.943 1.00 0.36 H new ATOM 0 HA GLU A 7 4.599 -5.255 8.995 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.772 -3.030 9.980 1.00 0.46 H new ATOM 0 HB3 GLU A 7 2.276 -4.698 9.773 1.00 0.46 H new ATOM 0 HG2 GLU A 7 3.953 -5.397 11.471 1.00 0.60 H new ATOM 0 HG3 GLU A 7 4.419 -3.722 11.690 1.00 0.60 H new ATOM 112 N LEU A 8 3.418 -2.738 7.230 1.00 0.27 N ATOM 113 CA LEU A 8 2.751 -2.335 6.003 1.00 0.28 C ATOM 114 C LEU A 8 3.536 -2.814 4.799 1.00 0.28 C ATOM 115 O LEU A 8 2.977 -3.063 3.737 1.00 0.39 O ATOM 116 CB LEU A 8 2.619 -0.816 5.967 1.00 0.31 C ATOM 117 CG LEU A 8 2.001 -0.202 7.217 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.993 1.311 7.110 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.595 -0.740 7.420 1.00 0.35 C ATOM 0 H LEU A 8 3.768 -1.959 7.788 1.00 0.27 H new ATOM 0 HA LEU A 8 1.758 -2.784 5.974 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.608 -0.382 5.816 1.00 0.31 H new ATOM 0 HB3 LEU A 8 2.014 -0.538 5.104 1.00 0.31 H new ATOM 0 HG LEU A 8 2.602 -0.477 8.084 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.549 1.737 8.010 1.00 0.36 H new ATOM 0 HD12 LEU A 8 3.015 1.674 7.003 1.00 0.36 H new ATOM 0 HD13 LEU A 8 1.409 1.611 6.240 1.00 0.36 H new ATOM 0 HD21 LEU A 8 0.161 -0.296 8.316 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.019 -0.488 6.556 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.633 -1.823 7.534 1.00 0.35 H new ATOM 131 N VAL A 9 4.835 -2.937 4.986 1.00 0.26 N ATOM 132 CA VAL A 9 5.716 -3.440 3.955 1.00 0.28 C ATOM 133 C VAL A 9 5.701 -4.963 3.938 1.00 0.29 C ATOM 134 O VAL A 9 5.312 -5.576 2.947 1.00 0.31 O ATOM 135 CB VAL A 9 7.152 -2.956 4.189 1.00 0.32 C ATOM 136 CG1 VAL A 9 8.078 -3.523 3.132 1.00 0.38 C ATOM 137 CG2 VAL A 9 7.203 -1.438 4.209 1.00 0.31 C ATOM 0 H VAL A 9 5.307 -2.691 5.856 1.00 0.26 H new ATOM 0 HA VAL A 9 5.360 -3.062 2.997 1.00 0.28 H new ATOM 0 HB VAL A 9 7.491 -3.315 5.161 1.00 0.32 H new ATOM 0 HG11 VAL A 9 9.094 -3.171 3.311 1.00 0.38 H new ATOM 0 HG12 VAL A 9 8.058 -4.612 3.177 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.749 -3.195 2.146 1.00 0.38 H new ATOM 0 HG21 VAL A 9 8.229 -1.111 4.376 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.849 -1.049 3.254 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.567 -1.063 5.011 1.00 0.31 H new ATOM 147 N VAL A 10 6.128 -5.557 5.048 1.00 0.30 N ATOM 148 CA VAL A 10 6.246 -7.006 5.176 1.00 0.32 C ATOM 149 C VAL A 10 4.963 -7.720 4.769 1.00 0.35 C ATOM 150 O VAL A 10 4.981 -8.599 3.906 1.00 0.36 O ATOM 151 CB VAL A 10 6.610 -7.397 6.622 1.00 0.37 C ATOM 152 CG1 VAL A 10 6.512 -8.899 6.824 1.00 0.42 C ATOM 153 CG2 VAL A 10 8.006 -6.906 6.965 1.00 0.38 C ATOM 0 H VAL A 10 6.403 -5.046 5.887 1.00 0.30 H new ATOM 0 HA VAL A 10 7.042 -7.320 4.500 1.00 0.32 H new ATOM 0 HB VAL A 10 5.895 -6.920 7.292 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.774 -9.146 7.853 1.00 0.42 H new ATOM 0 HG12 VAL A 10 5.493 -9.228 6.621 1.00 0.42 H new ATOM 0 HG13 VAL A 10 7.198 -9.403 6.144 1.00 0.42 H new ATOM 0 HG21 VAL A 10 8.250 -7.189 7.989 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.728 -7.355 6.283 1.00 0.38 H new ATOM 0 HG23 VAL A 10 8.044 -5.821 6.870 1.00 0.38 H new ATOM 163 N ASP A 11 3.852 -7.330 5.375 1.00 0.39 N ATOM 164 CA ASP A 11 2.587 -8.010 5.129 1.00 0.46 C ATOM 165 C ASP A 11 2.096 -7.741 3.708 1.00 0.44 C ATOM 166 O ASP A 11 1.335 -8.527 3.143 1.00 0.50 O ATOM 167 CB ASP A 11 1.531 -7.581 6.150 1.00 0.55 C ATOM 168 CG ASP A 11 0.281 -8.429 6.068 1.00 0.71 C ATOM 169 OD1 ASP A 11 0.334 -9.620 6.438 1.00 0.92 O ATOM 170 OD2 ASP A 11 -0.761 -7.914 5.623 1.00 0.84 O ATOM 0 H ASP A 11 3.799 -6.554 6.035 1.00 0.39 H new ATOM 0 HA ASP A 11 2.753 -9.082 5.239 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.950 -7.650 7.154 1.00 0.55 H new ATOM 0 HB3 ASP A 11 1.271 -6.536 5.984 1.00 0.55 H new ATOM 175 N PHE A 12 2.551 -6.640 3.124 1.00 0.41 N ATOM 176 CA PHE A 12 2.201 -6.312 1.747 1.00 0.42 C ATOM 177 C PHE A 12 2.988 -7.203 0.794 1.00 0.37 C ATOM 178 O PHE A 12 2.442 -7.725 -0.178 1.00 0.41 O ATOM 179 CB PHE A 12 2.490 -4.836 1.439 1.00 0.44 C ATOM 180 CG PHE A 12 1.795 -4.320 0.207 1.00 0.48 C ATOM 181 CD1 PHE A 12 2.353 -4.491 -1.052 1.00 0.46 C ATOM 182 CD2 PHE A 12 0.581 -3.662 0.314 1.00 0.62 C ATOM 183 CE1 PHE A 12 1.710 -4.014 -2.178 1.00 0.51 C ATOM 184 CE2 PHE A 12 -0.065 -3.184 -0.810 1.00 0.68 C ATOM 185 CZ PHE A 12 0.500 -3.361 -2.057 1.00 0.60 C ATOM 0 H PHE A 12 3.161 -5.961 3.580 1.00 0.41 H new ATOM 0 HA PHE A 12 1.133 -6.483 1.613 1.00 0.42 H new ATOM 0 HB2 PHE A 12 2.188 -4.231 2.294 1.00 0.44 H new ATOM 0 HB3 PHE A 12 3.565 -4.704 1.319 1.00 0.44 H new ATOM 0 HD1 PHE A 12 3.299 -5.002 -1.153 1.00 0.46 H new ATOM 0 HD2 PHE A 12 0.134 -3.521 1.287 1.00 0.62 H new ATOM 0 HE1 PHE A 12 2.154 -4.152 -3.153 1.00 0.51 H new ATOM 0 HE2 PHE A 12 -1.011 -2.672 -0.713 1.00 0.68 H new ATOM 0 HZ PHE A 12 -0.004 -2.989 -2.937 1.00 0.60 H new ATOM 195 N LEU A 13 4.274 -7.384 1.088 1.00 0.33 N ATOM 196 CA LEU A 13 5.119 -8.255 0.286 1.00 0.32 C ATOM 197 C LEU A 13 4.624 -9.689 0.408 1.00 0.33 C ATOM 198 O LEU A 13 4.554 -10.424 -0.576 1.00 0.35 O ATOM 199 CB LEU A 13 6.581 -8.158 0.737 1.00 0.32 C ATOM 200 CG LEU A 13 7.146 -6.735 0.828 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.639 -6.770 1.104 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.857 -5.948 -0.440 1.00 0.38 C ATOM 0 H LEU A 13 4.749 -6.939 1.874 1.00 0.33 H new ATOM 0 HA LEU A 13 5.066 -7.940 -0.756 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.675 -8.632 1.714 1.00 0.32 H new ATOM 0 HB3 LEU A 13 7.197 -8.732 0.044 1.00 0.32 H new ATOM 0 HG LEU A 13 6.651 -6.230 1.658 1.00 0.34 H new ATOM 0 HD11 LEU A 13 9.022 -5.751 1.165 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.823 -7.284 2.048 1.00 0.40 H new ATOM 0 HD13 LEU A 13 9.146 -7.300 0.298 1.00 0.40 H new ATOM 0 HD21 LEU A 13 7.269 -4.943 -0.347 1.00 0.38 H new ATOM 0 HD22 LEU A 13 7.315 -6.450 -1.292 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.779 -5.885 -0.592 1.00 0.38 H new ATOM 214 N SER A 14 4.256 -10.058 1.628 1.00 0.34 N ATOM 215 CA SER A 14 3.680 -11.366 1.909 1.00 0.38 C ATOM 216 C SER A 14 2.414 -11.585 1.075 1.00 0.39 C ATOM 217 O SER A 14 2.188 -12.670 0.539 1.00 0.41 O ATOM 218 CB SER A 14 3.373 -11.478 3.409 1.00 0.45 C ATOM 219 OG SER A 14 2.730 -12.698 3.732 1.00 1.14 O ATOM 0 H SER A 14 4.348 -9.460 2.449 1.00 0.34 H new ATOM 0 HA SER A 14 4.397 -12.141 1.637 1.00 0.38 H new ATOM 0 HB2 SER A 14 4.301 -11.397 3.975 1.00 0.45 H new ATOM 0 HB3 SER A 14 2.740 -10.644 3.712 1.00 0.45 H new ATOM 0 HG SER A 14 2.554 -12.730 4.696 1.00 1.14 H new ATOM 225 N TYR A 15 1.612 -10.532 0.946 1.00 0.42 N ATOM 226 CA TYR A 15 0.380 -10.579 0.162 1.00 0.47 C ATOM 227 C TYR A 15 0.689 -10.838 -1.307 1.00 0.45 C ATOM 228 O TYR A 15 0.027 -11.645 -1.967 1.00 0.52 O ATOM 229 CB TYR A 15 -0.386 -9.255 0.318 1.00 0.55 C ATOM 230 CG TYR A 15 -1.533 -9.070 -0.654 1.00 0.66 C ATOM 231 CD1 TYR A 15 -2.763 -9.684 -0.432 1.00 0.79 C ATOM 232 CD2 TYR A 15 -1.389 -8.290 -1.794 1.00 0.78 C ATOM 233 CE1 TYR A 15 -3.812 -9.523 -1.316 1.00 0.96 C ATOM 234 CE2 TYR A 15 -2.436 -8.124 -2.682 1.00 0.94 C ATOM 235 CZ TYR A 15 -3.636 -8.716 -2.442 1.00 1.02 C ATOM 236 OH TYR A 15 -4.685 -8.583 -3.324 1.00 1.20 O ATOM 0 H TYR A 15 1.795 -9.627 1.379 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.239 -11.397 0.531 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.775 -9.194 1.334 1.00 0.55 H new ATOM 0 HB3 TYR A 15 0.314 -8.429 0.194 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.899 -10.297 0.447 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -0.444 -7.805 -1.990 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -4.757 -10.015 -1.139 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -2.300 -7.522 -3.569 1.00 0.94 H new ATOM 0 HH TYR A 15 -4.421 -7.992 -4.060 1.00 1.20 H new ATOM 246 N LYS A 16 1.712 -10.159 -1.805 1.00 0.40 N ATOM 247 CA LYS A 16 2.066 -10.231 -3.211 1.00 0.41 C ATOM 248 C LYS A 16 2.683 -11.585 -3.536 1.00 0.35 C ATOM 249 O LYS A 16 2.271 -12.258 -4.483 1.00 0.39 O ATOM 250 CB LYS A 16 3.050 -9.115 -3.555 1.00 0.49 C ATOM 251 CG LYS A 16 3.070 -8.748 -5.026 1.00 0.90 C ATOM 252 CD LYS A 16 1.789 -8.043 -5.433 1.00 0.83 C ATOM 253 CE LYS A 16 1.873 -7.508 -6.851 1.00 1.35 C ATOM 254 NZ LYS A 16 0.653 -6.747 -7.217 1.00 1.39 N ATOM 0 H LYS A 16 2.313 -9.549 -1.251 1.00 0.40 H new ATOM 0 HA LYS A 16 1.161 -10.109 -3.806 1.00 0.41 H new ATOM 0 HB2 LYS A 16 2.798 -8.229 -2.973 1.00 0.49 H new ATOM 0 HB3 LYS A 16 4.052 -9.421 -3.253 1.00 0.49 H new ATOM 0 HG2 LYS A 16 3.924 -8.103 -5.231 1.00 0.90 H new ATOM 0 HG3 LYS A 16 3.199 -9.648 -5.626 1.00 0.90 H new ATOM 0 HD2 LYS A 16 0.951 -8.735 -5.354 1.00 0.83 H new ATOM 0 HD3 LYS A 16 1.590 -7.222 -4.745 1.00 0.83 H new ATOM 0 HE2 LYS A 16 2.747 -6.864 -6.947 1.00 1.35 H new ATOM 0 HE3 LYS A 16 2.009 -8.336 -7.546 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 0.743 -6.395 -8.192 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 -0.178 -7.369 -7.148 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 0.538 -5.943 -6.568 1.00 1.39 H new ATOM 268 N LEU A 17 3.667 -11.974 -2.736 1.00 0.30 N ATOM 269 CA LEU A 17 4.373 -13.232 -2.923 1.00 0.27 C ATOM 270 C LEU A 17 3.432 -14.424 -2.818 1.00 0.31 C ATOM 271 O LEU A 17 3.551 -15.385 -3.581 1.00 0.32 O ATOM 272 CB LEU A 17 5.494 -13.351 -1.890 1.00 0.25 C ATOM 273 CG LEU A 17 6.602 -12.317 -2.044 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.513 -12.327 -0.836 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.394 -12.589 -3.305 1.00 0.25 C ATOM 0 H LEU A 17 3.997 -11.427 -1.941 1.00 0.30 H new ATOM 0 HA LEU A 17 4.799 -13.237 -3.926 1.00 0.27 H new ATOM 0 HB2 LEU A 17 5.064 -13.259 -0.893 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.931 -14.347 -1.959 1.00 0.25 H new ATOM 0 HG LEU A 17 6.148 -11.329 -2.120 1.00 0.24 H new ATOM 0 HD11 LEU A 17 8.298 -11.582 -0.966 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.935 -12.093 0.058 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.964 -13.313 -0.729 1.00 0.29 H new ATOM 0 HD21 LEU A 17 8.184 -11.845 -3.406 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.837 -13.583 -3.249 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.732 -12.535 -4.169 1.00 0.25 H new ATOM 287 N SER A 18 2.484 -14.353 -1.891 1.00 0.37 N ATOM 288 CA SER A 18 1.543 -15.446 -1.690 1.00 0.44 C ATOM 289 C SER A 18 0.656 -15.618 -2.923 1.00 0.47 C ATOM 290 O SER A 18 0.260 -16.734 -3.264 1.00 0.51 O ATOM 291 CB SER A 18 0.688 -15.204 -0.440 1.00 0.54 C ATOM 292 OG SER A 18 -0.113 -16.333 -0.142 1.00 1.26 O ATOM 0 H SER A 18 2.348 -13.555 -1.271 1.00 0.37 H new ATOM 0 HA SER A 18 2.110 -16.365 -1.540 1.00 0.44 H new ATOM 0 HB2 SER A 18 1.335 -14.979 0.408 1.00 0.54 H new ATOM 0 HB3 SER A 18 0.051 -14.333 -0.595 1.00 0.54 H new ATOM 0 HG SER A 18 -0.647 -16.153 0.660 1.00 1.26 H new ATOM 298 N GLN A 19 0.375 -14.514 -3.612 1.00 0.48 N ATOM 299 CA GLN A 19 -0.434 -14.558 -4.825 1.00 0.53 C ATOM 300 C GLN A 19 0.354 -15.206 -5.956 1.00 0.48 C ATOM 301 O GLN A 19 -0.211 -15.813 -6.865 1.00 0.55 O ATOM 302 CB GLN A 19 -0.861 -13.142 -5.231 1.00 0.59 C ATOM 303 CG GLN A 19 -1.693 -13.093 -6.504 1.00 0.71 C ATOM 304 CD GLN A 19 -1.996 -11.682 -6.968 1.00 1.06 C ATOM 305 OE1 GLN A 19 -3.042 -11.423 -7.564 1.00 1.72 O ATOM 306 NE2 GLN A 19 -1.075 -10.762 -6.721 1.00 1.65 N ATOM 0 H GLN A 19 0.695 -13.581 -3.351 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.326 -15.152 -4.627 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.433 -12.698 -4.417 1.00 0.59 H new ATOM 0 HB3 GLN A 19 0.030 -12.529 -5.366 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.164 -13.623 -7.296 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.631 -13.623 -6.337 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -0.221 -11.016 -6.224 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -1.220 -9.800 -7.028 1.00 1.65 H new ATOM 315 N LYS A 20 1.669 -15.086 -5.875 1.00 0.41 N ATOM 316 CA LYS A 20 2.560 -15.611 -6.899 1.00 0.40 C ATOM 317 C LYS A 20 2.907 -17.075 -6.636 1.00 0.44 C ATOM 318 O LYS A 20 3.713 -17.670 -7.351 1.00 0.48 O ATOM 319 CB LYS A 20 3.833 -14.769 -6.947 1.00 0.36 C ATOM 320 CG LYS A 20 3.589 -13.318 -7.330 1.00 0.68 C ATOM 321 CD LYS A 20 3.349 -13.160 -8.823 1.00 0.61 C ATOM 322 CE LYS A 20 2.962 -11.733 -9.179 1.00 1.06 C ATOM 323 NZ LYS A 20 2.954 -11.512 -10.649 1.00 1.87 N ATOM 0 H LYS A 20 2.148 -14.624 -5.102 1.00 0.41 H new ATOM 0 HA LYS A 20 2.049 -15.558 -7.860 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.317 -14.802 -5.971 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.526 -15.213 -7.662 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.728 -12.937 -6.781 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.447 -12.715 -7.034 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.250 -13.440 -9.369 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.560 -13.842 -9.140 1.00 0.61 H new ATOM 0 HE2 LYS A 20 1.975 -11.512 -8.773 1.00 1.06 H new ATOM 0 HE3 LYS A 20 3.661 -11.040 -8.711 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 2.685 -10.528 -10.851 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 3.902 -11.698 -11.033 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 2.268 -12.156 -11.093 1.00 1.87 H new ATOM 337 N GLY A 21 2.298 -17.648 -5.605 1.00 0.48 N ATOM 338 CA GLY A 21 2.508 -19.053 -5.310 1.00 0.54 C ATOM 339 C GLY A 21 3.663 -19.300 -4.356 1.00 0.53 C ATOM 340 O GLY A 21 4.103 -20.437 -4.195 1.00 0.67 O ATOM 0 H GLY A 21 1.663 -17.166 -4.969 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.596 -19.467 -4.880 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.694 -19.589 -6.241 1.00 0.54 H new ATOM 344 N TYR A 22 4.165 -18.247 -3.727 1.00 0.43 N ATOM 345 CA TYR A 22 5.243 -18.398 -2.758 1.00 0.42 C ATOM 346 C TYR A 22 4.731 -18.082 -1.359 1.00 0.43 C ATOM 347 O TYR A 22 3.751 -17.357 -1.201 1.00 0.46 O ATOM 348 CB TYR A 22 6.431 -17.493 -3.117 1.00 0.40 C ATOM 349 CG TYR A 22 6.966 -17.736 -4.513 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.390 -18.998 -4.902 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.057 -16.700 -5.436 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.889 -19.225 -6.170 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.558 -16.919 -6.705 1.00 0.57 C ATOM 354 CZ TYR A 22 7.926 -18.182 -7.085 1.00 0.69 C ATOM 355 OH TYR A 22 8.483 -18.397 -8.329 1.00 0.81 O ATOM 0 H TYR A 22 3.848 -17.288 -3.867 1.00 0.43 H new ATOM 0 HA TYR A 22 5.590 -19.431 -2.781 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.125 -16.451 -3.029 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.232 -17.652 -2.395 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.329 -19.818 -4.201 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.731 -15.709 -5.157 1.00 0.47 H new ATOM 0 HE1 TYR A 22 8.247 -20.206 -6.447 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.659 -16.095 -7.396 1.00 0.57 H new ATOM 0 HH TYR A 22 8.850 -17.556 -8.673 1.00 0.81 H new ATOM 365 N SER A 23 5.373 -18.646 -0.350 1.00 0.45 N ATOM 366 CA SER A 23 4.962 -18.428 1.027 1.00 0.49 C ATOM 367 C SER A 23 5.993 -17.571 1.757 1.00 0.43 C ATOM 368 O SER A 23 7.175 -17.914 1.795 1.00 0.44 O ATOM 369 CB SER A 23 4.794 -19.774 1.731 1.00 0.59 C ATOM 370 OG SER A 23 3.957 -20.637 0.975 1.00 1.41 O ATOM 0 H SER A 23 6.181 -19.259 -0.458 1.00 0.45 H new ATOM 0 HA SER A 23 4.008 -17.900 1.037 1.00 0.49 H new ATOM 0 HB2 SER A 23 5.769 -20.239 1.874 1.00 0.59 H new ATOM 0 HB3 SER A 23 4.366 -19.621 2.722 1.00 0.59 H new ATOM 0 HG SER A 23 3.864 -21.494 1.442 1.00 1.41 H new ATOM 376 N TRP A 24 5.541 -16.464 2.341 1.00 0.43 N ATOM 377 CA TRP A 24 6.435 -15.525 3.019 1.00 0.41 C ATOM 378 C TRP A 24 7.163 -16.192 4.186 1.00 0.47 C ATOM 379 O TRP A 24 8.295 -15.833 4.505 1.00 0.53 O ATOM 380 CB TRP A 24 5.660 -14.287 3.505 1.00 0.44 C ATOM 381 CG TRP A 24 6.476 -13.370 4.375 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.382 -13.234 5.733 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.513 -12.472 3.954 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.296 -12.313 6.178 1.00 0.57 N ATOM 385 CE2 TRP A 24 8.002 -11.830 5.109 1.00 0.50 C ATOM 386 CE3 TRP A 24 8.079 -12.148 2.716 1.00 0.39 C ATOM 387 CZ2 TRP A 24 9.024 -10.885 5.061 1.00 0.51 C ATOM 388 CZ3 TRP A 24 9.094 -11.210 2.672 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.558 -10.589 3.838 1.00 0.48 C ATOM 0 H TRP A 24 4.558 -16.193 2.359 1.00 0.43 H new ATOM 0 HA TRP A 24 7.185 -15.203 2.296 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.302 -13.730 2.639 1.00 0.44 H new ATOM 0 HB3 TRP A 24 4.781 -14.614 4.060 1.00 0.44 H new ATOM 0 HD1 TRP A 24 5.689 -13.773 6.363 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.428 -12.033 7.150 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.729 -12.622 1.811 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.382 -10.403 5.959 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.537 -10.952 1.721 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.354 -9.862 3.770 1.00 0.48 H new ATOM 400 N SER A 25 6.522 -17.178 4.803 1.00 0.54 N ATOM 401 CA SER A 25 7.127 -17.916 5.909 1.00 0.63 C ATOM 402 C SER A 25 8.446 -18.574 5.487 1.00 0.63 C ATOM 403 O SER A 25 9.339 -18.779 6.308 1.00 0.75 O ATOM 404 CB SER A 25 6.141 -18.964 6.423 1.00 0.75 C ATOM 405 OG SER A 25 5.445 -19.574 5.346 1.00 1.20 O ATOM 0 H SER A 25 5.581 -17.486 4.557 1.00 0.54 H new ATOM 0 HA SER A 25 7.356 -17.214 6.710 1.00 0.63 H new ATOM 0 HB2 SER A 25 6.676 -19.724 6.993 1.00 0.75 H new ATOM 0 HB3 SER A 25 5.429 -18.497 7.104 1.00 0.75 H new ATOM 0 HG SER A 25 4.820 -20.243 5.697 1.00 1.20 H new ATOM 411 N GLN A 26 8.577 -18.860 4.194 1.00 0.61 N ATOM 412 CA GLN A 26 9.777 -19.491 3.656 1.00 0.73 C ATOM 413 C GLN A 26 10.933 -18.485 3.582 1.00 0.79 C ATOM 414 O GLN A 26 12.096 -18.866 3.444 1.00 0.93 O ATOM 415 CB GLN A 26 9.475 -20.075 2.262 1.00 0.80 C ATOM 416 CG GLN A 26 10.648 -20.805 1.611 1.00 1.25 C ATOM 417 CD GLN A 26 11.170 -21.949 2.464 1.00 1.53 C ATOM 418 OE1 GLN A 26 10.709 -23.084 2.351 1.00 1.91 O ATOM 419 NE2 GLN A 26 12.137 -21.664 3.323 1.00 2.26 N ATOM 0 H GLN A 26 7.860 -18.663 3.496 1.00 0.61 H new ATOM 0 HA GLN A 26 10.079 -20.300 4.322 1.00 0.73 H new ATOM 0 HB2 GLN A 26 8.636 -20.765 2.346 1.00 0.80 H new ATOM 0 HB3 GLN A 26 9.158 -19.266 1.604 1.00 0.80 H new ATOM 0 HG2 GLN A 26 10.337 -21.193 0.641 1.00 1.25 H new ATOM 0 HG3 GLN A 26 11.455 -20.096 1.427 1.00 1.25 H new ATOM 0 HE21 GLN A 26 12.495 -20.711 3.390 1.00 2.26 H new ATOM 0 HE22 GLN A 26 12.523 -22.397 3.918 1.00 2.26 H new ATOM 644 N GLU A 42 -2.824 1.462 14.067 1.00 1.02 N ATOM 645 CA GLU A 42 -2.825 2.279 12.860 1.00 0.87 C ATOM 646 C GLU A 42 -2.531 1.422 11.629 1.00 0.73 C ATOM 647 O GLU A 42 -3.086 1.654 10.554 1.00 0.63 O ATOM 648 CB GLU A 42 -1.780 3.395 12.993 1.00 1.05 C ATOM 649 CG GLU A 42 -1.672 4.301 11.779 1.00 1.53 C ATOM 650 CD GLU A 42 -0.589 5.346 11.946 1.00 2.12 C ATOM 651 OE1 GLU A 42 0.599 4.972 12.062 1.00 2.82 O ATOM 652 OE2 GLU A 42 -0.918 6.552 11.960 1.00 2.42 O ATOM 0 HA GLU A 42 -3.812 2.724 12.736 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -2.024 4.003 13.864 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -0.806 2.944 13.182 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -1.462 3.699 10.895 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -2.629 4.794 11.609 1.00 1.53 H new ATOM 659 N SER A 43 -1.674 0.419 11.807 1.00 0.79 N ATOM 660 CA SER A 43 -1.232 -0.444 10.713 1.00 0.75 C ATOM 661 C SER A 43 -2.409 -1.054 9.951 1.00 0.67 C ATOM 662 O SER A 43 -2.422 -1.053 8.720 1.00 0.62 O ATOM 663 CB SER A 43 -0.335 -1.561 11.254 1.00 0.94 C ATOM 664 OG SER A 43 0.703 -1.041 12.071 1.00 1.14 O ATOM 0 H SER A 43 -1.267 0.182 12.712 1.00 0.79 H new ATOM 0 HA SER A 43 -0.670 0.178 10.016 1.00 0.75 H new ATOM 0 HB2 SER A 43 -0.935 -2.265 11.830 1.00 0.94 H new ATOM 0 HB3 SER A 43 0.098 -2.117 10.422 1.00 0.94 H new ATOM 0 HG SER A 43 1.168 -1.779 12.518 1.00 1.14 H new ATOM 670 N GLU A 44 -3.406 -1.549 10.676 1.00 0.72 N ATOM 671 CA GLU A 44 -4.539 -2.225 10.047 1.00 0.73 C ATOM 672 C GLU A 44 -5.394 -1.255 9.233 1.00 0.61 C ATOM 673 O GLU A 44 -6.177 -1.675 8.380 1.00 0.66 O ATOM 674 CB GLU A 44 -5.405 -2.942 11.085 1.00 0.85 C ATOM 675 CG GLU A 44 -4.695 -4.091 11.784 1.00 1.32 C ATOM 676 CD GLU A 44 -5.660 -5.049 12.448 1.00 1.96 C ATOM 677 OE1 GLU A 44 -6.109 -6.009 11.792 1.00 1.90 O ATOM 678 OE2 GLU A 44 -5.969 -4.845 13.641 1.00 2.98 O ATOM 0 H GLU A 44 -3.455 -1.497 11.693 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.125 -2.968 9.366 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -5.733 -2.220 11.833 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.301 -3.324 10.596 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -4.089 -4.635 11.059 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -4.012 -3.690 12.533 1.00 1.32 H new ATOM 685 N ALA A 45 -5.234 0.037 9.485 1.00 0.53 N ATOM 686 CA ALA A 45 -5.978 1.049 8.755 1.00 0.45 C ATOM 687 C ALA A 45 -5.288 1.357 7.436 1.00 0.39 C ATOM 688 O ALA A 45 -5.890 1.266 6.369 1.00 0.39 O ATOM 689 CB ALA A 45 -6.115 2.310 9.589 1.00 0.48 C ATOM 0 H ALA A 45 -4.596 0.407 10.189 1.00 0.53 H new ATOM 0 HA ALA A 45 -6.976 0.665 8.545 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -6.675 3.058 9.028 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -6.644 2.079 10.514 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.125 2.699 9.825 1.00 0.48 H new ATOM 695 N VAL A 46 -4.012 1.705 7.516 1.00 0.36 N ATOM 696 CA VAL A 46 -3.230 2.014 6.331 1.00 0.32 C ATOM 697 C VAL A 46 -3.111 0.798 5.418 1.00 0.34 C ATOM 698 O VAL A 46 -3.173 0.924 4.198 1.00 0.35 O ATOM 699 CB VAL A 46 -1.833 2.559 6.701 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.357 1.991 8.023 1.00 0.34 C ATOM 701 CG2 VAL A 46 -0.833 2.255 5.603 1.00 0.34 C ATOM 0 H VAL A 46 -3.496 1.780 8.393 1.00 0.36 H new ATOM 0 HA VAL A 46 -3.759 2.797 5.787 1.00 0.32 H new ATOM 0 HB VAL A 46 -1.914 3.641 6.808 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.371 2.392 8.258 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.058 2.267 8.811 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.299 0.905 7.953 1.00 0.34 H new ATOM 0 HG21 VAL A 46 0.145 2.647 5.883 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -0.765 1.176 5.462 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.159 2.723 4.674 1.00 0.34 H new ATOM 711 N LYS A 47 -2.958 -0.377 6.010 1.00 0.41 N ATOM 712 CA LYS A 47 -2.942 -1.614 5.235 1.00 0.50 C ATOM 713 C LYS A 47 -4.231 -1.743 4.421 1.00 0.51 C ATOM 714 O LYS A 47 -4.222 -2.236 3.294 1.00 0.59 O ATOM 715 CB LYS A 47 -2.776 -2.833 6.149 1.00 0.63 C ATOM 716 CG LYS A 47 -2.798 -4.155 5.398 1.00 0.84 C ATOM 717 CD LYS A 47 -1.615 -4.290 4.451 1.00 1.45 C ATOM 718 CE LYS A 47 -1.879 -5.334 3.377 1.00 1.93 C ATOM 719 NZ LYS A 47 -2.296 -6.639 3.951 1.00 2.14 N ATOM 0 H LYS A 47 -2.844 -0.503 7.016 1.00 0.41 H new ATOM 0 HA LYS A 47 -2.091 -1.577 4.555 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.834 -2.747 6.691 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.573 -2.832 6.893 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -2.787 -4.978 6.112 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -3.726 -4.236 4.833 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -1.411 -3.327 3.982 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -0.724 -4.565 5.016 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -2.655 -4.971 2.703 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -0.978 -5.473 2.779 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -2.235 -7.375 3.219 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -1.669 -6.886 4.743 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -3.276 -6.571 4.293 1.00 2.14 H new ATOM 733 N GLN A 48 -5.334 -1.277 4.996 1.00 0.47 N ATOM 734 CA GLN A 48 -6.620 -1.285 4.309 1.00 0.52 C ATOM 735 C GLN A 48 -6.633 -0.220 3.221 1.00 0.48 C ATOM 736 O GLN A 48 -7.161 -0.433 2.127 1.00 0.54 O ATOM 737 CB GLN A 48 -7.760 -1.042 5.303 1.00 0.55 C ATOM 738 CG GLN A 48 -9.140 -1.040 4.663 1.00 0.85 C ATOM 739 CD GLN A 48 -9.467 -2.352 3.980 1.00 1.50 C ATOM 740 OE1 GLN A 48 -9.017 -3.416 4.405 1.00 2.23 O ATOM 741 NE2 GLN A 48 -10.239 -2.284 2.907 1.00 2.02 N ATOM 0 H GLN A 48 -5.363 -0.888 5.938 1.00 0.47 H new ATOM 0 HA GLN A 48 -6.766 -2.263 3.850 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.728 -1.812 6.074 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.599 -0.086 5.800 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.890 -0.835 5.427 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -9.198 -0.231 3.935 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -10.591 -1.381 2.588 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -10.482 -3.134 2.399 1.00 2.02 H new ATOM 750 N ALA A 49 -6.029 0.920 3.526 1.00 0.42 N ATOM 751 CA ALA A 49 -5.922 2.013 2.577 1.00 0.40 C ATOM 752 C ALA A 49 -5.134 1.578 1.353 1.00 0.39 C ATOM 753 O ALA A 49 -5.581 1.743 0.218 1.00 0.42 O ATOM 754 CB ALA A 49 -5.255 3.203 3.240 1.00 0.36 C ATOM 0 H ALA A 49 -5.603 1.110 4.433 1.00 0.42 H new ATOM 0 HA ALA A 49 -6.922 2.301 2.254 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.176 4.021 2.524 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -5.850 3.524 4.095 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.258 2.920 3.578 1.00 0.36 H new ATOM 760 N LEU A 50 -3.967 0.992 1.598 1.00 0.38 N ATOM 761 CA LEU A 50 -3.099 0.525 0.525 1.00 0.39 C ATOM 762 C LEU A 50 -3.709 -0.669 -0.198 1.00 0.46 C ATOM 763 O LEU A 50 -3.360 -0.947 -1.342 1.00 0.49 O ATOM 764 CB LEU A 50 -1.708 0.156 1.058 1.00 0.39 C ATOM 765 CG LEU A 50 -0.707 1.315 1.180 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.447 1.945 -0.180 1.00 0.31 C ATOM 767 CD2 LEU A 50 -1.198 2.367 2.162 1.00 0.29 C ATOM 0 H LEU A 50 -3.600 0.829 2.535 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.994 1.345 -0.185 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.826 -0.301 2.040 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -1.279 -0.602 0.403 1.00 0.39 H new ATOM 0 HG LEU A 50 0.228 0.906 1.561 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.264 2.764 -0.072 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -0.037 1.195 -0.856 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.382 2.329 -0.588 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.468 3.174 2.226 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.152 2.767 1.819 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.327 1.915 3.145 1.00 0.29 H new ATOM 779 N ARG A 51 -4.627 -1.367 0.468 1.00 0.52 N ATOM 780 CA ARG A 51 -5.298 -2.512 -0.139 1.00 0.61 C ATOM 781 C ARG A 51 -6.082 -2.064 -1.366 1.00 0.62 C ATOM 782 O ARG A 51 -5.955 -2.645 -2.445 1.00 0.69 O ATOM 783 CB ARG A 51 -6.245 -3.193 0.855 1.00 0.67 C ATOM 784 CG ARG A 51 -6.704 -4.569 0.396 1.00 0.98 C ATOM 785 CD ARG A 51 -7.874 -5.090 1.219 1.00 1.49 C ATOM 786 NE ARG A 51 -7.637 -5.004 2.661 1.00 2.00 N ATOM 787 CZ ARG A 51 -7.230 -6.023 3.422 1.00 2.89 C ATOM 788 NH1 ARG A 51 -6.909 -7.188 2.874 1.00 3.39 N ATOM 789 NH2 ARG A 51 -7.124 -5.864 4.735 1.00 3.74 N ATOM 0 H ARG A 51 -4.921 -1.160 1.423 1.00 0.52 H new ATOM 0 HA ARG A 51 -4.534 -3.232 -0.433 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -5.744 -3.286 1.819 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -7.118 -2.558 1.009 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -6.993 -4.522 -0.654 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -5.872 -5.270 0.466 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -8.770 -4.522 0.968 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -8.069 -6.128 0.949 1.00 1.49 H new ATOM 0 HE ARG A 51 -7.793 -4.104 3.115 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -6.972 -7.311 1.863 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -6.599 -7.961 3.463 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -7.353 -4.966 5.160 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -6.813 -6.640 5.319 1.00 3.74 H new ATOM 803 N GLU A 52 -6.884 -1.021 -1.199 1.00 0.59 N ATOM 804 CA GLU A 52 -7.652 -0.482 -2.311 1.00 0.62 C ATOM 805 C GLU A 52 -6.780 0.413 -3.182 1.00 0.59 C ATOM 806 O GLU A 52 -6.950 0.458 -4.400 1.00 0.65 O ATOM 807 CB GLU A 52 -8.873 0.302 -1.827 1.00 0.66 C ATOM 808 CG GLU A 52 -9.938 -0.554 -1.159 1.00 0.92 C ATOM 809 CD GLU A 52 -11.291 0.129 -1.138 1.00 1.23 C ATOM 810 OE1 GLU A 52 -12.035 0.026 -2.133 1.00 1.45 O ATOM 811 OE2 GLU A 52 -11.616 0.770 -0.118 1.00 1.88 O ATOM 0 H GLU A 52 -7.019 -0.535 -0.312 1.00 0.59 H new ATOM 0 HA GLU A 52 -8.003 -1.329 -2.901 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.544 1.067 -1.124 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -9.319 0.820 -2.676 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -10.021 -1.505 -1.686 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -9.632 -0.781 -0.138 1.00 0.92 H new ATOM 818 N ALA A 53 -5.843 1.113 -2.551 1.00 0.52 N ATOM 819 CA ALA A 53 -4.957 2.028 -3.256 1.00 0.49 C ATOM 820 C ALA A 53 -4.091 1.298 -4.273 1.00 0.52 C ATOM 821 O ALA A 53 -4.049 1.677 -5.443 1.00 0.53 O ATOM 822 CB ALA A 53 -4.085 2.771 -2.265 1.00 0.43 C ATOM 0 H ALA A 53 -5.678 1.062 -1.546 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.576 2.742 -3.800 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.425 3.453 -2.801 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.715 3.338 -1.580 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.486 2.057 -1.700 1.00 0.43 H new ATOM 828 N GLY A 54 -3.415 0.243 -3.824 1.00 0.57 N ATOM 829 CA GLY A 54 -2.532 -0.511 -4.699 1.00 0.64 C ATOM 830 C GLY A 54 -3.275 -1.140 -5.856 1.00 0.74 C ATOM 831 O GLY A 54 -2.689 -1.457 -6.888 1.00 0.82 O ATOM 0 H GLY A 54 -3.463 -0.104 -2.866 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.755 0.149 -5.084 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -2.032 -1.290 -4.124 1.00 0.64 H new ATOM 835 N ASP A 55 -4.574 -1.310 -5.679 1.00 0.79 N ATOM 836 CA ASP A 55 -5.427 -1.859 -6.720 1.00 0.92 C ATOM 837 C ASP A 55 -5.842 -0.761 -7.694 1.00 0.88 C ATOM 838 O ASP A 55 -5.787 -0.939 -8.914 1.00 0.97 O ATOM 839 CB ASP A 55 -6.665 -2.505 -6.093 1.00 1.04 C ATOM 840 CG ASP A 55 -7.677 -2.962 -7.122 1.00 1.12 C ATOM 841 OD1 ASP A 55 -7.514 -4.073 -7.668 1.00 1.34 O ATOM 842 OD2 ASP A 55 -8.630 -2.203 -7.405 1.00 1.29 O ATOM 0 H ASP A 55 -5.065 -1.074 -4.817 1.00 0.79 H new ATOM 0 HA ASP A 55 -4.871 -2.619 -7.268 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.357 -3.359 -5.490 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -7.138 -1.792 -5.418 1.00 1.04 H new ATOM 847 N GLU A 56 -6.225 0.384 -7.139 1.00 0.79 N ATOM 848 CA GLU A 56 -6.711 1.502 -7.932 1.00 0.83 C ATOM 849 C GLU A 56 -5.576 2.178 -8.697 1.00 0.78 C ATOM 850 O GLU A 56 -5.695 2.412 -9.895 1.00 0.85 O ATOM 851 CB GLU A 56 -7.430 2.520 -7.036 1.00 0.83 C ATOM 852 CG GLU A 56 -7.877 3.777 -7.766 1.00 0.94 C ATOM 853 CD GLU A 56 -8.696 4.695 -6.889 1.00 1.27 C ATOM 854 OE1 GLU A 56 -9.924 4.501 -6.813 1.00 1.38 O ATOM 855 OE2 GLU A 56 -8.119 5.622 -6.280 1.00 2.06 O ATOM 0 H GLU A 56 -6.207 0.560 -6.135 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.419 1.110 -8.662 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -8.301 2.043 -6.588 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -6.766 2.803 -6.219 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -7.000 4.313 -8.129 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -8.464 3.496 -8.641 1.00 0.94 H new ATOM 862 N PHE A 57 -4.473 2.469 -8.016 1.00 0.72 N ATOM 863 CA PHE A 57 -3.356 3.174 -8.641 1.00 0.76 C ATOM 864 C PHE A 57 -2.761 2.327 -9.763 1.00 0.82 C ATOM 865 O PHE A 57 -2.329 2.850 -10.791 1.00 0.90 O ATOM 866 CB PHE A 57 -2.278 3.513 -7.602 1.00 0.77 C ATOM 867 CG PHE A 57 -1.227 4.472 -8.097 1.00 0.94 C ATOM 868 CD1 PHE A 57 -0.142 4.021 -8.836 1.00 1.05 C ATOM 869 CD2 PHE A 57 -1.328 5.828 -7.824 1.00 1.07 C ATOM 870 CE1 PHE A 57 0.818 4.904 -9.293 1.00 1.25 C ATOM 871 CE2 PHE A 57 -0.369 6.715 -8.279 1.00 1.26 C ATOM 872 CZ PHE A 57 0.705 6.252 -9.015 1.00 1.34 C ATOM 0 H PHE A 57 -4.327 2.230 -7.035 1.00 0.72 H new ATOM 0 HA PHE A 57 -3.730 4.107 -9.063 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -2.758 3.940 -6.722 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.792 2.591 -7.284 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -0.047 2.968 -9.056 1.00 1.05 H new ATOM 0 HD2 PHE A 57 -2.165 6.196 -7.249 1.00 1.07 H new ATOM 0 HE1 PHE A 57 1.657 4.540 -9.868 1.00 1.25 H new ATOM 0 HE2 PHE A 57 -0.460 7.769 -8.059 1.00 1.26 H new ATOM 0 HZ PHE A 57 1.454 6.943 -9.372 1.00 1.34 H new ATOM 882 N GLU A 58 -2.777 1.013 -9.566 1.00 0.83 N ATOM 883 CA GLU A 58 -2.249 0.072 -10.546 1.00 0.95 C ATOM 884 C GLU A 58 -3.040 0.164 -11.849 1.00 0.99 C ATOM 885 O GLU A 58 -2.482 0.057 -12.942 1.00 1.08 O ATOM 886 CB GLU A 58 -2.330 -1.355 -9.986 1.00 1.05 C ATOM 887 CG GLU A 58 -1.771 -2.427 -10.908 1.00 1.35 C ATOM 888 CD GLU A 58 -2.159 -3.817 -10.458 1.00 1.27 C ATOM 889 OE1 GLU A 58 -1.467 -4.386 -9.590 1.00 1.45 O ATOM 890 OE2 GLU A 58 -3.169 -4.346 -10.967 1.00 1.61 O ATOM 0 H GLU A 58 -3.154 0.572 -8.727 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.208 0.322 -10.751 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -1.791 -1.391 -9.039 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -3.372 -1.588 -9.769 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -2.134 -2.259 -11.922 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -0.684 -2.346 -10.941 1.00 1.35 H new ATOM 897 N LEU A 59 -4.343 0.367 -11.720 1.00 0.98 N ATOM 898 CA LEU A 59 -5.225 0.478 -12.870 1.00 1.10 C ATOM 899 C LEU A 59 -5.256 1.913 -13.391 1.00 1.10 C ATOM 900 O LEU A 59 -5.460 2.153 -14.580 1.00 1.24 O ATOM 901 CB LEU A 59 -6.632 0.027 -12.475 1.00 1.19 C ATOM 902 CG LEU A 59 -7.682 0.092 -13.582 1.00 1.36 C ATOM 903 CD1 LEU A 59 -7.301 -0.814 -14.742 1.00 1.59 C ATOM 904 CD2 LEU A 59 -9.044 -0.291 -13.031 1.00 1.56 C ATOM 0 H LEU A 59 -4.815 0.459 -10.821 1.00 0.98 H new ATOM 0 HA LEU A 59 -4.849 -0.163 -13.668 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -6.576 -0.999 -12.112 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -6.971 0.642 -11.641 1.00 1.19 H new ATOM 0 HG LEU A 59 -7.729 1.115 -13.955 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -8.064 -0.751 -15.518 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -6.341 -0.498 -15.150 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -7.225 -1.843 -14.390 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -9.786 -0.242 -13.828 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -9.004 -1.306 -12.635 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.321 0.399 -12.234 1.00 1.56 H new ATOM 916 N ARG A 60 -5.039 2.860 -12.491 1.00 1.00 N ATOM 917 CA ARG A 60 -5.090 4.275 -12.836 1.00 1.06 C ATOM 918 C ARG A 60 -3.847 4.673 -13.630 1.00 1.00 C ATOM 919 O ARG A 60 -3.934 5.408 -14.613 1.00 1.07 O ATOM 920 CB ARG A 60 -5.206 5.135 -11.565 1.00 1.10 C ATOM 921 CG ARG A 60 -5.467 6.614 -11.827 1.00 1.19 C ATOM 922 CD ARG A 60 -6.923 6.883 -12.192 1.00 1.31 C ATOM 923 NE ARG A 60 -7.827 6.594 -11.081 1.00 1.81 N ATOM 924 CZ ARG A 60 -9.038 6.056 -11.217 1.00 2.26 C ATOM 925 NH1 ARG A 60 -9.508 5.751 -12.421 1.00 2.15 N ATOM 926 NH2 ARG A 60 -9.787 5.837 -10.147 1.00 3.21 N ATOM 0 H ARG A 60 -4.825 2.674 -11.511 1.00 1.00 H new ATOM 0 HA ARG A 60 -5.971 4.448 -13.454 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -6.012 4.740 -10.946 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -4.285 5.037 -10.990 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -5.203 7.191 -10.941 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -4.821 6.958 -12.635 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -7.036 7.926 -12.490 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -7.200 6.274 -13.053 1.00 1.31 H new ATOM 0 HE ARG A 60 -7.510 6.819 -10.138 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -8.941 5.928 -13.250 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -10.436 5.339 -12.517 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -9.436 6.080 -9.221 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -10.715 5.425 -10.249 1.00 3.21 H new ATOM 940 N TYR A 61 -2.693 4.176 -13.205 1.00 0.91 N ATOM 941 CA TYR A 61 -1.437 4.496 -13.864 1.00 0.90 C ATOM 942 C TYR A 61 -0.649 3.220 -14.152 1.00 0.84 C ATOM 943 O TYR A 61 0.453 3.018 -13.637 1.00 0.83 O ATOM 944 CB TYR A 61 -0.608 5.471 -13.016 1.00 0.96 C ATOM 945 CG TYR A 61 -1.267 6.825 -12.824 1.00 1.05 C ATOM 946 CD1 TYR A 61 -1.425 7.701 -13.892 1.00 1.27 C ATOM 947 CD2 TYR A 61 -1.734 7.226 -11.577 1.00 1.04 C ATOM 948 CE1 TYR A 61 -2.029 8.933 -13.723 1.00 1.38 C ATOM 949 CE2 TYR A 61 -2.336 8.459 -11.401 1.00 1.14 C ATOM 950 CZ TYR A 61 -2.482 9.307 -12.477 1.00 1.27 C ATOM 951 OH TYR A 61 -3.090 10.534 -12.310 1.00 1.41 O ATOM 0 H TYR A 61 -2.602 3.549 -12.406 1.00 0.91 H new ATOM 0 HA TYR A 61 -1.660 4.984 -14.813 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.425 5.024 -12.039 1.00 0.96 H new ATOM 0 HB3 TYR A 61 0.364 5.614 -13.488 1.00 0.96 H new ATOM 0 HD1 TYR A 61 -1.070 7.414 -14.871 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -1.625 6.563 -10.731 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -2.145 9.600 -14.565 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -2.690 8.756 -10.425 1.00 1.14 H new ATOM 0 HH TYR A 61 -3.353 10.644 -11.372 1.00 1.41 H new ATOM 961 N ARG A 62 -1.246 2.354 -14.964 1.00 0.86 N ATOM 962 CA ARG A 62 -0.629 1.086 -15.350 1.00 0.85 C ATOM 963 C ARG A 62 0.727 1.301 -16.019 1.00 0.87 C ATOM 964 O ARG A 62 1.686 0.576 -15.745 1.00 0.85 O ATOM 965 CB ARG A 62 -1.565 0.321 -16.295 1.00 0.95 C ATOM 966 CG ARG A 62 -0.952 -0.931 -16.908 1.00 1.04 C ATOM 967 CD ARG A 62 -1.959 -1.675 -17.773 1.00 1.23 C ATOM 968 NE ARG A 62 -3.077 -2.195 -16.983 1.00 1.73 N ATOM 969 CZ ARG A 62 -4.349 -2.194 -17.389 1.00 2.16 C ATOM 970 NH1 ARG A 62 -4.687 -1.628 -18.542 1.00 2.24 N ATOM 971 NH2 ARG A 62 -5.288 -2.731 -16.621 1.00 3.02 N ATOM 0 H ARG A 62 -2.168 2.508 -15.373 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.464 0.502 -14.445 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.464 0.040 -15.747 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -1.877 0.989 -17.098 1.00 0.95 H new ATOM 0 HG2 ARG A 62 -0.086 -0.657 -17.510 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -0.595 -1.589 -16.116 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -2.340 -1.006 -18.545 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -1.461 -2.499 -18.283 1.00 1.23 H new ATOM 0 HE ARG A 62 -2.871 -2.583 -16.063 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -3.973 -1.190 -19.124 1.00 2.24 H new ATOM 0 HH12 ARG A 62 -5.661 -1.631 -18.846 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -5.038 -3.144 -15.722 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -6.260 -2.731 -16.929 1.00 3.02 H new ATOM 985 N ARG A 63 0.804 2.306 -16.883 1.00 0.94 N ATOM 986 CA ARG A 63 2.018 2.571 -17.643 1.00 1.01 C ATOM 987 C ARG A 63 3.116 3.130 -16.739 1.00 0.95 C ATOM 988 O ARG A 63 4.305 2.919 -16.988 1.00 0.99 O ATOM 989 CB ARG A 63 1.727 3.545 -18.789 1.00 1.16 C ATOM 990 CG ARG A 63 2.921 3.783 -19.707 1.00 1.70 C ATOM 991 CD ARG A 63 2.612 4.819 -20.776 1.00 2.14 C ATOM 992 NE ARG A 63 2.171 6.089 -20.200 1.00 2.71 N ATOM 993 CZ ARG A 63 2.742 7.263 -20.460 1.00 3.58 C ATOM 994 NH1 ARG A 63 3.795 7.332 -21.267 1.00 3.92 N ATOM 995 NH2 ARG A 63 2.261 8.370 -19.909 1.00 4.52 N ATOM 0 H ARG A 63 0.038 2.952 -17.075 1.00 0.94 H new ATOM 0 HA ARG A 63 2.369 1.628 -18.063 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.896 3.159 -19.380 1.00 1.16 H new ATOM 0 HB3 ARG A 63 1.405 4.499 -18.371 1.00 1.16 H new ATOM 0 HG2 ARG A 63 3.774 4.114 -19.115 1.00 1.70 H new ATOM 0 HG3 ARG A 63 3.207 2.845 -20.182 1.00 1.70 H new ATOM 0 HD2 ARG A 63 3.500 4.987 -21.385 1.00 2.14 H new ATOM 0 HD3 ARG A 63 1.838 4.434 -21.440 1.00 2.14 H new ATOM 0 HE ARG A 63 1.377 6.074 -19.560 1.00 2.71 H new ATOM 0 HH11 ARG A 63 4.169 6.483 -21.691 1.00 3.92 H new ATOM 0 HH12 ARG A 63 4.229 8.234 -21.463 1.00 3.92 H new ATOM 0 HH21 ARG A 63 1.454 8.321 -19.287 1.00 4.52 H new ATOM 0 HH22 ARG A 63 2.698 9.270 -20.108 1.00 4.52 H new ATOM 1009 N ALA A 64 2.720 3.845 -15.695 1.00 0.90 N ATOM 1010 CA ALA A 64 3.677 4.370 -14.733 1.00 0.89 C ATOM 1011 C ALA A 64 4.224 3.248 -13.868 1.00 0.75 C ATOM 1012 O ALA A 64 5.426 3.175 -13.611 1.00 0.73 O ATOM 1013 CB ALA A 64 3.039 5.441 -13.867 1.00 0.94 C ATOM 0 H ALA A 64 1.747 4.074 -15.494 1.00 0.90 H new ATOM 0 HA ALA A 64 4.502 4.823 -15.283 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.773 5.819 -13.155 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.691 6.259 -14.498 1.00 0.94 H new ATOM 0 HB3 ALA A 64 2.194 5.015 -13.325 1.00 0.94 H new ATOM 1019 N PHE A 65 3.329 2.368 -13.435 1.00 0.69 N ATOM 1020 CA PHE A 65 3.702 1.229 -12.605 1.00 0.61 C ATOM 1021 C PHE A 65 4.765 0.379 -13.293 1.00 0.59 C ATOM 1022 O PHE A 65 5.780 0.036 -12.689 1.00 0.59 O ATOM 1023 CB PHE A 65 2.470 0.372 -12.284 1.00 0.62 C ATOM 1024 CG PHE A 65 2.775 -0.831 -11.432 1.00 0.59 C ATOM 1025 CD1 PHE A 65 3.025 -0.690 -10.077 1.00 0.60 C ATOM 1026 CD2 PHE A 65 2.816 -2.100 -11.990 1.00 0.64 C ATOM 1027 CE1 PHE A 65 3.310 -1.793 -9.294 1.00 0.64 C ATOM 1028 CE2 PHE A 65 3.101 -3.205 -11.211 1.00 0.68 C ATOM 1029 CZ PHE A 65 3.348 -3.052 -9.862 1.00 0.66 C ATOM 0 H PHE A 65 2.333 2.423 -13.647 1.00 0.69 H new ATOM 0 HA PHE A 65 4.117 1.613 -11.673 1.00 0.61 H new ATOM 0 HB2 PHE A 65 1.732 0.990 -11.773 1.00 0.62 H new ATOM 0 HB3 PHE A 65 2.016 0.039 -13.218 1.00 0.62 H new ATOM 0 HD1 PHE A 65 2.997 0.292 -9.628 1.00 0.60 H new ATOM 0 HD2 PHE A 65 2.623 -2.226 -13.045 1.00 0.64 H new ATOM 0 HE1 PHE A 65 3.503 -1.671 -8.238 1.00 0.64 H new ATOM 0 HE2 PHE A 65 3.130 -4.188 -11.658 1.00 0.68 H new ATOM 0 HZ PHE A 65 3.571 -3.915 -9.251 1.00 0.66 H new ATOM 1039 N SER A 66 4.541 0.062 -14.562 1.00 0.64 N ATOM 1040 CA SER A 66 5.452 -0.795 -15.310 1.00 0.68 C ATOM 1041 C SER A 66 6.797 -0.108 -15.543 1.00 0.66 C ATOM 1042 O SER A 66 7.853 -0.719 -15.378 1.00 0.68 O ATOM 1043 CB SER A 66 4.815 -1.196 -16.644 1.00 0.83 C ATOM 1044 OG SER A 66 4.348 -0.056 -17.348 1.00 1.20 O ATOM 0 H SER A 66 3.735 0.386 -15.096 1.00 0.64 H new ATOM 0 HA SER A 66 5.638 -1.692 -14.720 1.00 0.68 H new ATOM 0 HB2 SER A 66 5.544 -1.730 -17.253 1.00 0.83 H new ATOM 0 HB3 SER A 66 3.987 -1.881 -16.464 1.00 0.83 H new ATOM 0 HG SER A 66 3.947 -0.337 -18.197 1.00 1.20 H new ATOM 1050 N ASP A 67 6.754 1.170 -15.903 1.00 0.68 N ATOM 1051 CA ASP A 67 7.969 1.921 -16.223 1.00 0.73 C ATOM 1052 C ASP A 67 8.851 2.102 -14.990 1.00 0.65 C ATOM 1053 O ASP A 67 10.077 2.006 -15.069 1.00 0.66 O ATOM 1054 CB ASP A 67 7.616 3.289 -16.814 1.00 0.89 C ATOM 1055 CG ASP A 67 8.837 4.052 -17.288 1.00 1.36 C ATOM 1056 OD1 ASP A 67 9.261 3.858 -18.447 1.00 1.41 O ATOM 1057 OD2 ASP A 67 9.392 4.843 -16.497 1.00 2.06 O ATOM 0 H ASP A 67 5.892 1.710 -15.981 1.00 0.68 H new ATOM 0 HA ASP A 67 8.526 1.345 -16.962 1.00 0.73 H new ATOM 0 HB2 ASP A 67 6.930 3.153 -17.650 1.00 0.89 H new ATOM 0 HB3 ASP A 67 7.091 3.880 -16.064 1.00 0.89 H new ATOM 1062 N LEU A 68 8.229 2.354 -13.849 1.00 0.63 N ATOM 1063 CA LEU A 68 8.974 2.605 -12.628 1.00 0.66 C ATOM 1064 C LEU A 68 9.501 1.309 -12.010 1.00 0.57 C ATOM 1065 O LEU A 68 10.570 1.304 -11.403 1.00 0.63 O ATOM 1066 CB LEU A 68 8.109 3.376 -11.629 1.00 0.75 C ATOM 1067 CG LEU A 68 7.707 4.787 -12.080 1.00 0.81 C ATOM 1068 CD1 LEU A 68 6.788 5.440 -11.060 1.00 1.64 C ATOM 1069 CD2 LEU A 68 8.942 5.648 -12.305 1.00 1.07 C ATOM 0 H LEU A 68 7.215 2.390 -13.744 1.00 0.63 H new ATOM 0 HA LEU A 68 9.841 3.215 -12.883 1.00 0.66 H new ATOM 0 HB2 LEU A 68 7.204 2.801 -11.434 1.00 0.75 H new ATOM 0 HB3 LEU A 68 8.649 3.452 -10.685 1.00 0.75 H new ATOM 0 HG LEU A 68 7.166 4.699 -13.022 1.00 0.81 H new ATOM 0 HD11 LEU A 68 6.517 6.439 -11.402 1.00 1.64 H new ATOM 0 HD12 LEU A 68 5.886 4.838 -10.945 1.00 1.64 H new ATOM 0 HD13 LEU A 68 7.301 5.511 -10.101 1.00 1.64 H new ATOM 0 HD21 LEU A 68 8.637 6.645 -12.624 1.00 1.07 H new ATOM 0 HD22 LEU A 68 9.508 5.722 -11.377 1.00 1.07 H new ATOM 0 HD23 LEU A 68 9.566 5.195 -13.076 1.00 1.07 H new ATOM 1081 N THR A 69 8.773 0.209 -12.179 1.00 0.49 N ATOM 1082 CA THR A 69 9.212 -1.074 -11.634 1.00 0.49 C ATOM 1083 C THR A 69 10.389 -1.644 -12.420 1.00 0.46 C ATOM 1084 O THR A 69 11.220 -2.360 -11.867 1.00 0.51 O ATOM 1085 CB THR A 69 8.073 -2.109 -11.592 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.326 -2.076 -12.812 1.00 0.71 O ATOM 1087 CG2 THR A 69 7.149 -1.851 -10.414 1.00 0.63 C ATOM 0 H THR A 69 7.887 0.178 -12.683 1.00 0.49 H new ATOM 0 HA THR A 69 9.531 -0.874 -10.611 1.00 0.49 H new ATOM 0 HB THR A 69 8.519 -3.097 -11.473 1.00 0.51 H new ATOM 0 HG1 THR A 69 6.512 -1.545 -12.683 1.00 0.71 H new ATOM 0 HG21 THR A 69 6.353 -2.595 -10.406 1.00 0.63 H new ATOM 0 HG22 THR A 69 7.716 -1.917 -9.486 1.00 0.63 H new ATOM 0 HG23 THR A 69 6.714 -0.856 -10.504 1.00 0.63 H new ATOM 1095 N SER A 70 10.469 -1.322 -13.707 1.00 0.46 N ATOM 1096 CA SER A 70 11.600 -1.749 -14.515 1.00 0.49 C ATOM 1097 C SER A 70 12.824 -0.891 -14.202 1.00 0.48 C ATOM 1098 O SER A 70 13.964 -1.344 -14.310 1.00 0.53 O ATOM 1099 CB SER A 70 11.247 -1.687 -16.005 1.00 0.57 C ATOM 1100 OG SER A 70 10.639 -0.451 -16.338 1.00 1.31 O ATOM 0 H SER A 70 9.770 -0.772 -14.207 1.00 0.46 H new ATOM 0 HA SER A 70 11.839 -2.784 -14.270 1.00 0.49 H new ATOM 0 HB2 SER A 70 12.149 -1.823 -16.601 1.00 0.57 H new ATOM 0 HB3 SER A 70 10.573 -2.506 -16.256 1.00 0.57 H new ATOM 0 HG SER A 70 9.678 -0.499 -16.154 1.00 1.31 H new ATOM 1106 N GLN A 71 12.576 0.348 -13.793 1.00 0.49 N ATOM 1107 CA GLN A 71 13.642 1.253 -13.380 1.00 0.53 C ATOM 1108 C GLN A 71 14.161 0.854 -12.003 1.00 0.46 C ATOM 1109 O GLN A 71 15.361 0.900 -11.733 1.00 0.53 O ATOM 1110 CB GLN A 71 13.123 2.694 -13.359 1.00 0.63 C ATOM 1111 CG GLN A 71 14.145 3.720 -12.899 1.00 0.69 C ATOM 1112 CD GLN A 71 13.592 5.136 -12.927 1.00 0.83 C ATOM 1113 OE1 GLN A 71 13.709 5.835 -13.933 1.00 1.22 O ATOM 1114 NE2 GLN A 71 12.973 5.569 -11.836 1.00 0.82 N ATOM 0 H GLN A 71 11.640 0.750 -13.738 1.00 0.49 H new ATOM 0 HA GLN A 71 14.463 1.187 -14.093 1.00 0.53 H new ATOM 0 HB2 GLN A 71 12.784 2.960 -14.360 1.00 0.63 H new ATOM 0 HB3 GLN A 71 12.254 2.745 -12.703 1.00 0.63 H new ATOM 0 HG2 GLN A 71 14.469 3.479 -11.887 1.00 0.69 H new ATOM 0 HG3 GLN A 71 15.026 3.664 -13.538 1.00 0.69 H new ATOM 0 HE21 GLN A 71 12.894 4.963 -11.020 1.00 0.82 H new ATOM 0 HE22 GLN A 71 12.576 6.508 -11.814 1.00 0.82 H new ATOM 1123 N LEU A 72 13.242 0.433 -11.148 1.00 0.39 N ATOM 1124 CA LEU A 72 13.577 0.019 -9.792 1.00 0.33 C ATOM 1125 C LEU A 72 13.873 -1.480 -9.755 1.00 0.34 C ATOM 1126 O LEU A 72 13.964 -2.079 -8.689 1.00 0.37 O ATOM 1127 CB LEU A 72 12.417 0.369 -8.842 1.00 0.37 C ATOM 1128 CG LEU A 72 12.677 0.144 -7.350 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.937 0.867 -6.907 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.483 0.614 -6.536 1.00 0.92 C ATOM 0 H LEU A 72 12.249 0.368 -11.371 1.00 0.39 H new ATOM 0 HA LEU A 72 14.471 0.550 -9.464 1.00 0.33 H new ATOM 0 HB2 LEU A 72 12.156 1.417 -8.991 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.547 -0.220 -9.131 1.00 0.37 H new ATOM 0 HG LEU A 72 12.821 -0.923 -7.182 1.00 0.46 H new ATOM 0 HD11 LEU A 72 14.102 0.693 -5.844 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.790 0.492 -7.473 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.825 1.936 -7.086 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.678 0.450 -5.476 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.317 1.676 -6.714 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.597 0.053 -6.833 1.00 0.92 H new ATOM 1142 N HIS A 73 14.041 -2.067 -10.940 1.00 0.41 N ATOM 1143 CA HIS A 73 14.292 -3.502 -11.073 1.00 0.46 C ATOM 1144 C HIS A 73 15.452 -3.937 -10.180 1.00 0.41 C ATOM 1145 O HIS A 73 16.560 -3.401 -10.281 1.00 0.45 O ATOM 1146 CB HIS A 73 14.591 -3.852 -12.536 1.00 0.60 C ATOM 1147 CG HIS A 73 14.793 -5.317 -12.776 1.00 1.34 C ATOM 1148 ND1 HIS A 73 13.754 -6.204 -12.915 1.00 2.07 N ATOM 1149 CD2 HIS A 73 15.925 -6.048 -12.885 1.00 2.33 C ATOM 1150 CE1 HIS A 73 14.235 -7.417 -13.099 1.00 2.86 C ATOM 1151 NE2 HIS A 73 15.553 -7.353 -13.085 1.00 3.01 N ATOM 0 H HIS A 73 14.007 -1.566 -11.828 1.00 0.41 H new ATOM 0 HA HIS A 73 13.397 -4.037 -10.755 1.00 0.46 H new ATOM 0 HB2 HIS A 73 13.769 -3.501 -13.160 1.00 0.60 H new ATOM 0 HB3 HIS A 73 15.484 -3.314 -12.854 1.00 0.60 H new ATOM 0 HD2 HIS A 73 16.936 -5.673 -12.826 1.00 2.33 H new ATOM 0 HE1 HIS A 73 13.649 -8.313 -13.238 1.00 2.86 H new ATOM 0 HE2 HIS A 73 16.189 -8.142 -13.203 1.00 3.01 H new ATOM 1160 N ILE A 74 15.199 -4.914 -9.319 1.00 0.37 N ATOM 1161 CA ILE A 74 16.185 -5.336 -8.343 1.00 0.36 C ATOM 1162 C ILE A 74 17.155 -6.351 -8.956 1.00 0.45 C ATOM 1163 O ILE A 74 16.751 -7.252 -9.696 1.00 0.61 O ATOM 1164 CB ILE A 74 15.503 -5.930 -7.085 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.521 -6.125 -5.961 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.808 -7.247 -7.409 1.00 0.35 C ATOM 1167 CD1 ILE A 74 15.894 -6.512 -4.644 1.00 0.34 C ATOM 0 H ILE A 74 14.318 -5.427 -9.280 1.00 0.37 H new ATOM 0 HA ILE A 74 16.752 -4.456 -8.039 1.00 0.36 H new ATOM 0 HB ILE A 74 14.746 -5.222 -6.748 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.233 -6.895 -6.256 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.086 -5.202 -5.829 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.338 -7.642 -6.508 1.00 0.35 H new ATOM 0 HG22 ILE A 74 14.047 -7.079 -8.171 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.541 -7.964 -7.779 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.673 -6.634 -3.892 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.203 -5.731 -4.327 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.352 -7.451 -4.761 1.00 0.34 H new ATOM 1179 N THR A 75 18.435 -6.172 -8.680 1.00 0.61 N ATOM 1180 CA THR A 75 19.459 -7.069 -9.184 1.00 0.73 C ATOM 1181 C THR A 75 20.387 -7.491 -8.051 1.00 0.58 C ATOM 1182 O THR A 75 20.437 -6.826 -7.013 1.00 0.57 O ATOM 1183 CB THR A 75 20.285 -6.392 -10.296 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.777 -5.126 -9.834 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.451 -6.189 -11.552 1.00 1.56 C ATOM 0 H THR A 75 18.791 -5.408 -8.106 1.00 0.61 H new ATOM 0 HA THR A 75 18.965 -7.947 -9.600 1.00 0.73 H new ATOM 0 HB THR A 75 21.123 -7.044 -10.542 1.00 1.02 H new ATOM 0 HG1 THR A 75 20.525 -5.000 -8.895 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.059 -5.710 -12.319 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.102 -7.155 -11.917 1.00 1.56 H new ATOM 0 HG23 THR A 75 18.594 -5.557 -11.321 1.00 1.56 H new ATOM 1193 N PRO A 76 21.119 -8.602 -8.215 1.00 0.66 N ATOM 1194 CA PRO A 76 22.102 -9.042 -7.227 1.00 0.73 C ATOM 1195 C PRO A 76 23.211 -8.009 -7.052 1.00 0.72 C ATOM 1196 O PRO A 76 24.081 -7.857 -7.915 1.00 0.81 O ATOM 1197 CB PRO A 76 22.658 -10.349 -7.804 1.00 0.93 C ATOM 1198 CG PRO A 76 22.310 -10.318 -9.254 1.00 1.06 C ATOM 1199 CD PRO A 76 21.042 -9.521 -9.363 1.00 0.90 C ATOM 0 HA PRO A 76 21.662 -9.174 -6.238 1.00 0.73 H new ATOM 0 HB2 PRO A 76 23.736 -10.415 -7.660 1.00 0.93 H new ATOM 0 HB3 PRO A 76 22.216 -11.216 -7.312 1.00 0.93 H new ATOM 0 HG2 PRO A 76 23.109 -9.860 -9.837 1.00 1.06 H new ATOM 0 HG3 PRO A 76 22.170 -11.327 -9.643 1.00 1.06 H new ATOM 0 HD2 PRO A 76 20.987 -8.980 -10.308 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.160 -10.159 -9.309 1.00 0.90 H new ATOM 1207 N GLY A 77 23.150 -7.278 -5.950 1.00 0.86 N ATOM 1208 CA GLY A 77 24.115 -6.231 -5.696 1.00 1.10 C ATOM 1209 C GLY A 77 23.487 -4.855 -5.757 1.00 1.00 C ATOM 1210 O GLY A 77 24.107 -3.898 -6.222 1.00 1.32 O ATOM 0 H GLY A 77 22.444 -7.393 -5.223 1.00 0.86 H new ATOM 0 HA2 GLY A 77 24.564 -6.382 -4.714 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.920 -6.295 -6.428 1.00 1.10 H new ATOM 1214 N THR A 78 22.251 -4.761 -5.294 1.00 0.85 N ATOM 1215 CA THR A 78 21.536 -3.496 -5.247 1.00 0.82 C ATOM 1216 C THR A 78 21.534 -2.950 -3.825 1.00 0.85 C ATOM 1217 O THR A 78 20.727 -3.362 -2.996 1.00 1.52 O ATOM 1218 CB THR A 78 20.080 -3.661 -5.735 1.00 0.90 C ATOM 1219 OG1 THR A 78 20.070 -4.178 -7.072 1.00 1.52 O ATOM 1220 CG2 THR A 78 19.333 -2.335 -5.699 1.00 1.15 C ATOM 0 H THR A 78 21.717 -5.556 -4.942 1.00 0.85 H new ATOM 0 HA THR A 78 22.047 -2.797 -5.909 1.00 0.82 H new ATOM 0 HB THR A 78 19.577 -4.358 -5.065 1.00 0.90 H new ATOM 0 HG1 THR A 78 20.222 -5.146 -7.050 1.00 1.52 H new ATOM 0 HG21 THR A 78 18.311 -2.483 -6.048 1.00 1.15 H new ATOM 0 HG22 THR A 78 19.316 -1.955 -4.678 1.00 1.15 H new ATOM 0 HG23 THR A 78 19.836 -1.616 -6.345 1.00 1.15 H new ATOM 1228 N ALA A 79 22.473 -2.062 -3.536 1.00 0.68 N ATOM 1229 CA ALA A 79 22.551 -1.440 -2.224 1.00 0.73 C ATOM 1230 C ALA A 79 21.370 -0.498 -2.010 1.00 0.62 C ATOM 1231 O ALA A 79 20.755 -0.036 -2.978 1.00 0.56 O ATOM 1232 CB ALA A 79 23.864 -0.689 -2.081 1.00 0.85 C ATOM 0 H ALA A 79 23.191 -1.756 -4.192 1.00 0.68 H new ATOM 0 HA ALA A 79 22.509 -2.219 -1.463 1.00 0.73 H new ATOM 0 HB1 ALA A 79 23.913 -0.227 -1.095 1.00 0.85 H new ATOM 0 HB2 ALA A 79 24.695 -1.384 -2.198 1.00 0.85 H new ATOM 0 HB3 ALA A 79 23.927 0.083 -2.848 1.00 0.85 H new ATOM 1238 N TYR A 80 21.059 -0.211 -0.746 1.00 0.63 N ATOM 1239 CA TYR A 80 19.954 0.691 -0.418 1.00 0.58 C ATOM 1240 C TYR A 80 20.139 2.048 -1.086 1.00 0.50 C ATOM 1241 O TYR A 80 19.163 2.687 -1.467 1.00 0.46 O ATOM 1242 CB TYR A 80 19.800 0.874 1.100 1.00 0.67 C ATOM 1243 CG TYR A 80 18.805 1.960 1.473 1.00 0.80 C ATOM 1244 CD1 TYR A 80 17.458 1.845 1.142 1.00 0.89 C ATOM 1245 CD2 TYR A 80 19.219 3.112 2.131 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.556 2.843 1.460 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.324 4.113 2.447 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.995 3.975 2.111 1.00 1.58 C ATOM 1249 OH TYR A 80 16.108 4.980 2.418 1.00 2.03 O ATOM 0 H TYR A 80 21.553 -0.587 0.063 1.00 0.63 H new ATOM 0 HA TYR A 80 19.043 0.229 -0.800 1.00 0.58 H new ATOM 0 HB2 TYR A 80 19.481 -0.070 1.543 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.771 1.116 1.531 1.00 0.67 H new ATOM 0 HD1 TYR A 80 17.112 0.961 0.628 1.00 0.89 H new ATOM 0 HD2 TYR A 80 20.259 3.225 2.399 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.513 2.736 1.200 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.664 5.002 2.956 1.00 1.55 H new ATOM 0 HH TYR A 80 16.485 5.843 2.148 1.00 2.03 H new ATOM 1259 N GLN A 81 21.385 2.477 -1.239 1.00 0.56 N ATOM 1260 CA GLN A 81 21.674 3.751 -1.882 1.00 0.59 C ATOM 1261 C GLN A 81 21.048 3.799 -3.275 1.00 0.54 C ATOM 1262 O GLN A 81 20.341 4.747 -3.612 1.00 0.63 O ATOM 1263 CB GLN A 81 23.185 3.974 -1.974 1.00 0.72 C ATOM 1264 CG GLN A 81 23.572 5.322 -2.564 1.00 0.84 C ATOM 1265 CD GLN A 81 25.070 5.463 -2.762 1.00 1.40 C ATOM 1266 OE1 GLN A 81 25.619 6.560 -2.660 1.00 2.01 O ATOM 1267 NE2 GLN A 81 25.738 4.362 -3.067 1.00 2.18 N ATOM 0 H GLN A 81 22.209 1.963 -0.928 1.00 0.56 H new ATOM 0 HA GLN A 81 21.241 4.548 -1.277 1.00 0.59 H new ATOM 0 HB2 GLN A 81 23.617 3.887 -0.977 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.623 3.182 -2.582 1.00 0.72 H new ATOM 0 HG2 GLN A 81 23.069 5.453 -3.522 1.00 0.84 H new ATOM 0 HG3 GLN A 81 23.220 6.117 -1.907 1.00 0.84 H new ATOM 0 HE21 GLN A 81 25.246 3.471 -3.142 1.00 2.18 H new ATOM 0 HE22 GLN A 81 26.745 4.404 -3.227 1.00 2.18 H new ATOM 1276 N SER A 82 21.282 2.751 -4.059 1.00 0.48 N ATOM 1277 CA SER A 82 20.747 2.665 -5.413 1.00 0.47 C ATOM 1278 C SER A 82 19.221 2.579 -5.388 1.00 0.40 C ATOM 1279 O SER A 82 18.542 3.191 -6.215 1.00 0.42 O ATOM 1280 CB SER A 82 21.332 1.446 -6.132 1.00 0.55 C ATOM 1281 OG SER A 82 22.752 1.474 -6.107 1.00 1.17 O ATOM 0 H SER A 82 21.842 1.946 -3.778 1.00 0.48 H new ATOM 0 HA SER A 82 21.031 3.568 -5.954 1.00 0.47 H new ATOM 0 HB2 SER A 82 20.974 0.533 -5.657 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.983 1.426 -7.164 1.00 0.55 H new ATOM 0 HG SER A 82 23.103 0.685 -6.570 1.00 1.17 H new ATOM 1287 N PHE A 83 18.694 1.826 -4.427 1.00 0.36 N ATOM 1288 CA PHE A 83 17.252 1.678 -4.262 1.00 0.33 C ATOM 1289 C PHE A 83 16.622 3.021 -3.896 1.00 0.31 C ATOM 1290 O PHE A 83 15.575 3.398 -4.429 1.00 0.32 O ATOM 1291 CB PHE A 83 16.957 0.627 -3.173 1.00 0.35 C ATOM 1292 CG PHE A 83 15.492 0.396 -2.902 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.759 -0.492 -3.672 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.852 1.061 -1.865 1.00 0.32 C ATOM 1295 CE1 PHE A 83 13.419 -0.711 -3.416 1.00 0.41 C ATOM 1296 CE2 PHE A 83 13.512 0.846 -1.606 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.796 -0.041 -2.382 1.00 0.38 C ATOM 0 H PHE A 83 19.248 1.306 -3.747 1.00 0.36 H new ATOM 0 HA PHE A 83 16.817 1.340 -5.203 1.00 0.33 H new ATOM 0 HB2 PHE A 83 17.412 -0.319 -3.467 1.00 0.35 H new ATOM 0 HB3 PHE A 83 17.439 0.938 -2.246 1.00 0.35 H new ATOM 0 HD1 PHE A 83 15.241 -1.019 -4.482 1.00 0.38 H new ATOM 0 HD2 PHE A 83 15.409 1.755 -1.253 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.859 -1.406 -4.024 1.00 0.41 H new ATOM 0 HE2 PHE A 83 13.026 1.372 -0.797 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.749 -0.211 -2.181 1.00 0.38 H new ATOM 1307 N GLU A 84 17.289 3.753 -3.013 1.00 0.34 N ATOM 1308 CA GLU A 84 16.783 5.030 -2.537 1.00 0.39 C ATOM 1309 C GLU A 84 16.795 6.064 -3.652 1.00 0.37 C ATOM 1310 O GLU A 84 15.890 6.881 -3.743 1.00 0.40 O ATOM 1311 CB GLU A 84 17.613 5.531 -1.350 1.00 0.51 C ATOM 1312 CG GLU A 84 17.111 6.841 -0.764 1.00 0.64 C ATOM 1313 CD GLU A 84 17.989 7.350 0.355 1.00 0.90 C ATOM 1314 OE1 GLU A 84 19.086 7.876 0.066 1.00 1.58 O ATOM 1315 OE2 GLU A 84 17.591 7.220 1.533 1.00 0.95 O ATOM 0 H GLU A 84 18.186 3.481 -2.611 1.00 0.34 H new ATOM 0 HA GLU A 84 15.754 4.883 -2.209 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.612 4.770 -0.570 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.647 5.658 -1.669 1.00 0.51 H new ATOM 0 HG2 GLU A 84 17.061 7.592 -1.552 1.00 0.64 H new ATOM 0 HG3 GLU A 84 16.096 6.703 -0.391 1.00 0.64 H new ATOM 1322 N GLN A 85 17.805 6.007 -4.520 1.00 0.37 N ATOM 1323 CA GLN A 85 17.927 6.981 -5.606 1.00 0.42 C ATOM 1324 C GLN A 85 16.680 6.976 -6.482 1.00 0.38 C ATOM 1325 O GLN A 85 16.310 7.993 -7.064 1.00 0.46 O ATOM 1326 CB GLN A 85 19.159 6.701 -6.475 1.00 0.50 C ATOM 1327 CG GLN A 85 20.493 6.823 -5.748 1.00 0.61 C ATOM 1328 CD GLN A 85 20.541 7.988 -4.779 1.00 1.44 C ATOM 1329 OE1 GLN A 85 20.884 9.112 -5.147 1.00 1.90 O ATOM 1330 NE2 GLN A 85 20.228 7.716 -3.521 1.00 2.16 N ATOM 0 H GLN A 85 18.544 5.304 -4.494 1.00 0.37 H new ATOM 0 HA GLN A 85 18.040 7.962 -5.145 1.00 0.42 H new ATOM 0 HB2 GLN A 85 19.076 5.695 -6.886 1.00 0.50 H new ATOM 0 HB3 GLN A 85 19.156 7.391 -7.319 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.689 5.899 -5.205 1.00 0.61 H new ATOM 0 HG3 GLN A 85 21.291 6.936 -6.482 1.00 0.61 H new ATOM 0 HE21 GLN A 85 19.949 6.771 -3.258 1.00 2.16 H new ATOM 0 HE22 GLN A 85 20.266 8.452 -2.815 1.00 2.16 H new ATOM 1339 N VAL A 86 16.035 5.823 -6.561 1.00 0.31 N ATOM 1340 CA VAL A 86 14.826 5.674 -7.344 1.00 0.31 C ATOM 1341 C VAL A 86 13.624 6.162 -6.553 1.00 0.29 C ATOM 1342 O VAL A 86 12.917 7.078 -6.967 1.00 0.32 O ATOM 1343 CB VAL A 86 14.592 4.204 -7.729 1.00 0.33 C ATOM 1344 CG1 VAL A 86 13.342 4.065 -8.580 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.803 3.632 -8.446 1.00 0.36 C ATOM 0 H VAL A 86 16.335 4.971 -6.086 1.00 0.31 H new ATOM 0 HA VAL A 86 14.947 6.268 -8.250 1.00 0.31 H new ATOM 0 HB VAL A 86 14.444 3.632 -6.813 1.00 0.33 H new ATOM 0 HG11 VAL A 86 13.195 3.017 -8.842 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.479 4.424 -8.020 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.454 4.654 -9.490 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.613 2.591 -8.708 1.00 0.36 H new ATOM 0 HG22 VAL A 86 15.993 4.206 -9.353 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.673 3.688 -7.792 1.00 0.36 H new ATOM 1355 N VAL A 87 13.413 5.543 -5.403 1.00 0.28 N ATOM 1356 CA VAL A 87 12.230 5.795 -4.597 1.00 0.32 C ATOM 1357 C VAL A 87 12.209 7.212 -4.025 1.00 0.35 C ATOM 1358 O VAL A 87 11.150 7.737 -3.697 1.00 0.37 O ATOM 1359 CB VAL A 87 12.112 4.768 -3.460 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.165 3.362 -4.027 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.199 4.967 -2.420 1.00 0.41 C ATOM 0 H VAL A 87 14.053 4.856 -5.004 1.00 0.28 H new ATOM 0 HA VAL A 87 11.372 5.694 -5.261 1.00 0.32 H new ATOM 0 HB VAL A 87 11.153 4.916 -2.964 1.00 0.38 H new ATOM 0 HG11 VAL A 87 12.081 2.639 -3.216 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.341 3.220 -4.726 1.00 0.38 H new ATOM 0 HG13 VAL A 87 13.111 3.215 -4.547 1.00 0.38 H new ATOM 0 HG21 VAL A 87 13.087 4.225 -1.630 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.176 4.853 -2.889 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.116 5.967 -1.993 1.00 0.41 H new ATOM 1371 N ASN A 88 13.373 7.840 -3.932 1.00 0.38 N ATOM 1372 CA ASN A 88 13.456 9.208 -3.420 1.00 0.47 C ATOM 1373 C ASN A 88 12.897 10.186 -4.446 1.00 0.44 C ATOM 1374 O ASN A 88 12.533 11.313 -4.115 1.00 0.45 O ATOM 1375 CB ASN A 88 14.903 9.585 -3.073 1.00 0.61 C ATOM 1376 CG ASN A 88 14.993 10.861 -2.250 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.105 11.169 -1.455 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.070 11.614 -2.432 1.00 0.97 N ATOM 0 H ASN A 88 14.268 7.431 -4.201 1.00 0.38 H new ATOM 0 HA ASN A 88 12.862 9.262 -2.508 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.365 8.767 -2.520 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.473 9.710 -3.994 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.182 12.480 -1.904 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.786 11.327 -3.100 1.00 0.97 H new ATOM 1385 N GLU A 89 12.796 9.739 -5.699 1.00 0.42 N ATOM 1386 CA GLU A 89 12.236 10.574 -6.752 1.00 0.45 C ATOM 1387 C GLU A 89 10.729 10.694 -6.579 1.00 0.38 C ATOM 1388 O GLU A 89 10.086 11.538 -7.200 1.00 0.43 O ATOM 1389 CB GLU A 89 12.567 10.028 -8.144 1.00 0.54 C ATOM 1390 CG GLU A 89 14.048 10.065 -8.480 1.00 0.65 C ATOM 1391 CD GLU A 89 14.312 9.844 -9.954 1.00 1.23 C ATOM 1392 OE1 GLU A 89 14.351 8.677 -10.395 1.00 2.04 O ATOM 1393 OE2 GLU A 89 14.483 10.842 -10.681 1.00 1.28 O ATOM 0 H GLU A 89 13.093 8.812 -6.003 1.00 0.42 H new ATOM 0 HA GLU A 89 12.688 11.562 -6.668 1.00 0.45 H new ATOM 0 HB2 GLU A 89 12.213 8.999 -8.214 1.00 0.54 H new ATOM 0 HB3 GLU A 89 12.020 10.605 -8.890 1.00 0.54 H new ATOM 0 HG2 GLU A 89 14.462 11.028 -8.180 1.00 0.65 H new ATOM 0 HG3 GLU A 89 14.568 9.301 -7.902 1.00 0.65 H new ATOM 1400 N LEU A 90 10.170 9.845 -5.725 1.00 0.31 N ATOM 1401 CA LEU A 90 8.761 9.931 -5.381 1.00 0.27 C ATOM 1402 C LEU A 90 8.543 11.132 -4.473 1.00 0.25 C ATOM 1403 O LEU A 90 7.600 11.900 -4.649 1.00 0.26 O ATOM 1404 CB LEU A 90 8.300 8.650 -4.683 1.00 0.26 C ATOM 1405 CG LEU A 90 8.582 7.355 -5.441 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.216 6.159 -4.584 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.820 7.321 -6.755 1.00 0.37 C ATOM 0 H LEU A 90 10.673 9.090 -5.259 1.00 0.31 H new ATOM 0 HA LEU A 90 8.175 10.050 -6.292 1.00 0.27 H new ATOM 0 HB2 LEU A 90 8.784 8.593 -3.708 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.227 8.720 -4.503 1.00 0.26 H new ATOM 0 HG LEU A 90 9.647 7.313 -5.667 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.421 5.241 -5.134 1.00 0.31 H new ATOM 0 HD12 LEU A 90 8.807 6.173 -3.668 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.156 6.202 -4.332 1.00 0.31 H new ATOM 0 HD21 LEU A 90 8.037 6.389 -7.277 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.750 7.386 -6.557 1.00 0.37 H new ATOM 0 HD23 LEU A 90 8.126 8.164 -7.375 1.00 0.37 H new ATOM 1419 N PHE A 91 9.444 11.293 -3.512 1.00 0.27 N ATOM 1420 CA PHE A 91 9.414 12.434 -2.609 1.00 0.29 C ATOM 1421 C PHE A 91 9.841 13.694 -3.356 1.00 0.33 C ATOM 1422 O PHE A 91 9.243 14.762 -3.197 1.00 0.33 O ATOM 1423 CB PHE A 91 10.349 12.190 -1.413 1.00 0.35 C ATOM 1424 CG PHE A 91 10.115 13.114 -0.247 1.00 0.37 C ATOM 1425 CD1 PHE A 91 10.709 14.366 -0.218 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.304 12.737 0.813 1.00 0.37 C ATOM 1427 CE1 PHE A 91 10.500 15.223 0.846 1.00 0.53 C ATOM 1428 CE2 PHE A 91 9.092 13.591 1.878 1.00 0.43 C ATOM 1429 CZ PHE A 91 9.675 14.806 1.915 1.00 0.50 C ATOM 0 H PHE A 91 10.210 10.642 -3.338 1.00 0.27 H new ATOM 0 HA PHE A 91 8.398 12.565 -2.237 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.228 11.160 -1.076 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.381 12.297 -1.746 1.00 0.35 H new ATOM 0 HD1 PHE A 91 11.342 14.675 -1.036 1.00 0.46 H new ATOM 0 HD2 PHE A 91 8.833 11.765 0.806 1.00 0.37 H new ATOM 0 HE1 PHE A 91 10.961 16.199 0.860 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.452 13.282 2.691 1.00 0.43 H new ATOM 0 HZ PHE A 91 9.512 15.459 2.760 1.00 0.50 H new ATOM 1439 N ARG A 92 10.864 13.546 -4.195 1.00 0.39 N ATOM 1440 CA ARG A 92 11.435 14.664 -4.938 1.00 0.49 C ATOM 1441 C ARG A 92 10.429 15.239 -5.937 1.00 0.51 C ATOM 1442 O ARG A 92 10.503 16.412 -6.308 1.00 0.62 O ATOM 1443 CB ARG A 92 12.699 14.203 -5.674 1.00 0.56 C ATOM 1444 CG ARG A 92 13.503 15.336 -6.295 1.00 1.24 C ATOM 1445 CD ARG A 92 14.164 16.197 -5.228 1.00 1.54 C ATOM 1446 NE ARG A 92 15.186 15.460 -4.485 1.00 2.30 N ATOM 1447 CZ ARG A 92 15.305 15.475 -3.156 1.00 2.99 C ATOM 1448 NH1 ARG A 92 14.419 16.126 -2.413 1.00 3.13 N ATOM 1449 NH2 ARG A 92 16.299 14.820 -2.570 1.00 3.95 N ATOM 0 H ARG A 92 11.318 12.651 -4.378 1.00 0.39 H new ATOM 0 HA ARG A 92 11.691 15.451 -4.228 1.00 0.49 H new ATOM 0 HB2 ARG A 92 13.336 13.660 -4.976 1.00 0.56 H new ATOM 0 HB3 ARG A 92 12.415 13.501 -6.458 1.00 0.56 H new ATOM 0 HG2 ARG A 92 14.265 14.924 -6.956 1.00 1.24 H new ATOM 0 HG3 ARG A 92 12.849 15.954 -6.910 1.00 1.24 H new ATOM 0 HD2 ARG A 92 14.616 17.071 -5.696 1.00 1.54 H new ATOM 0 HD3 ARG A 92 13.405 16.563 -4.536 1.00 1.54 H new ATOM 0 HE ARG A 92 15.851 14.898 -5.017 1.00 2.30 H new ATOM 0 HH11 ARG A 92 13.643 16.617 -2.857 1.00 3.13 H new ATOM 0 HH12 ARG A 92 14.513 16.135 -1.397 1.00 3.13 H new ATOM 0 HH21 ARG A 92 16.973 14.304 -3.135 1.00 3.95 H new ATOM 0 HH22 ARG A 92 16.389 14.832 -1.554 1.00 3.95 H new ATOM 1463 N ASP A 93 9.482 14.410 -6.359 1.00 0.46 N ATOM 1464 CA ASP A 93 8.472 14.824 -7.335 1.00 0.53 C ATOM 1465 C ASP A 93 7.392 15.682 -6.679 1.00 0.50 C ATOM 1466 O ASP A 93 6.575 16.299 -7.361 1.00 0.60 O ATOM 1467 CB ASP A 93 7.832 13.590 -7.997 1.00 0.62 C ATOM 1468 CG ASP A 93 6.750 13.953 -8.994 1.00 0.90 C ATOM 1469 OD1 ASP A 93 7.089 14.452 -10.091 1.00 1.14 O ATOM 1470 OD2 ASP A 93 5.557 13.750 -8.685 1.00 1.11 O ATOM 0 H ASP A 93 9.389 13.445 -6.042 1.00 0.46 H new ATOM 0 HA ASP A 93 8.968 15.423 -8.099 1.00 0.53 H new ATOM 0 HB2 ASP A 93 8.606 13.012 -8.502 1.00 0.62 H new ATOM 0 HB3 ASP A 93 7.408 12.948 -7.225 1.00 0.62 H new ATOM 1475 N GLY A 94 7.407 15.760 -5.356 1.00 0.45 N ATOM 1476 CA GLY A 94 6.327 16.439 -4.665 1.00 0.47 C ATOM 1477 C GLY A 94 5.387 15.458 -4.002 1.00 0.39 C ATOM 1478 O GLY A 94 4.183 15.701 -3.957 1.00 0.42 O ATOM 0 H GLY A 94 8.135 15.372 -4.755 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.741 17.112 -3.914 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.772 17.055 -5.373 1.00 0.47 H new ATOM 1482 N VAL A 95 5.970 14.360 -3.500 1.00 0.32 N ATOM 1483 CA VAL A 95 5.256 13.181 -2.983 1.00 0.26 C ATOM 1484 C VAL A 95 3.782 13.421 -2.640 1.00 0.25 C ATOM 1485 O VAL A 95 3.439 14.120 -1.688 1.00 0.29 O ATOM 1486 CB VAL A 95 5.982 12.617 -1.737 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.214 13.706 -0.701 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.202 11.456 -1.137 1.00 0.33 C ATOM 0 H VAL A 95 6.984 14.264 -3.440 1.00 0.32 H new ATOM 0 HA VAL A 95 5.266 12.463 -3.803 1.00 0.26 H new ATOM 0 HB VAL A 95 6.956 12.244 -2.055 1.00 0.31 H new ATOM 0 HG11 VAL A 95 6.725 13.283 0.164 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.827 14.496 -1.135 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.256 14.121 -0.388 1.00 0.40 H new ATOM 0 HG21 VAL A 95 5.731 11.076 -0.263 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.210 11.798 -0.841 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.106 10.661 -1.877 1.00 0.33 H new ATOM 1498 N ASN A 96 2.922 12.848 -3.462 1.00 0.24 N ATOM 1499 CA ASN A 96 1.489 12.830 -3.203 1.00 0.29 C ATOM 1500 C ASN A 96 1.109 11.491 -2.579 1.00 0.23 C ATOM 1501 O ASN A 96 1.955 10.598 -2.474 1.00 0.21 O ATOM 1502 CB ASN A 96 0.695 13.034 -4.500 1.00 0.41 C ATOM 1503 CG ASN A 96 0.976 14.359 -5.187 1.00 1.33 C ATOM 1504 OD1 ASN A 96 0.889 14.457 -6.412 1.00 2.13 O ATOM 1505 ND2 ASN A 96 1.303 15.384 -4.417 1.00 2.00 N ATOM 0 H ASN A 96 3.194 12.382 -4.328 1.00 0.24 H new ATOM 0 HA ASN A 96 1.247 13.645 -2.520 1.00 0.29 H new ATOM 0 HB2 ASN A 96 0.927 12.222 -5.189 1.00 0.41 H new ATOM 0 HB3 ASN A 96 -0.370 12.969 -4.277 1.00 0.41 H new ATOM 0 HD21 ASN A 96 1.493 16.295 -4.834 1.00 2.00 H new ATOM 0 HD22 ASN A 96 1.365 15.263 -3.406 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.154 11.334 -2.184 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.612 10.077 -1.591 1.00 0.24 C ATOM 1514 C TRP A 97 -0.436 8.914 -2.570 1.00 0.25 C ATOM 1515 O TRP A 97 -0.097 7.799 -2.168 1.00 0.25 O ATOM 1516 CB TRP A 97 -2.079 10.170 -1.146 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.320 11.151 -0.031 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -3.110 12.265 -0.075 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.767 11.108 1.294 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -3.086 12.911 1.137 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.267 12.223 1.991 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.899 10.237 1.958 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.930 12.489 3.314 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.566 10.502 3.274 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -1.080 11.621 3.940 1.00 0.30 C ATOM 0 H TRP A 97 -0.873 12.054 -2.262 1.00 0.25 H new ATOM 0 HA TRP A 97 0.003 9.891 -0.710 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.691 10.452 -2.003 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.414 9.183 -0.827 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.672 12.591 -0.938 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.596 13.765 1.364 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.495 9.372 1.452 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.326 13.352 3.829 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 0.102 9.834 3.797 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.800 11.802 4.967 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.642 9.185 -3.857 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.495 8.158 -4.872 1.00 0.29 C ATOM 1538 C GLY A 98 0.932 7.656 -4.996 1.00 0.26 C ATOM 1539 O GLY A 98 1.164 6.520 -5.402 1.00 0.27 O ATOM 0 H GLY A 98 -0.909 10.102 -4.215 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -1.151 7.321 -4.633 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.821 8.554 -5.834 1.00 0.29 H new ATOM 1543 N ARG A 99 1.894 8.493 -4.624 1.00 0.26 N ATOM 1544 CA ARG A 99 3.301 8.115 -4.701 1.00 0.25 C ATOM 1545 C ARG A 99 3.639 7.148 -3.581 1.00 0.21 C ATOM 1546 O ARG A 99 4.509 6.291 -3.725 1.00 0.20 O ATOM 1547 CB ARG A 99 4.208 9.345 -4.639 1.00 0.30 C ATOM 1548 CG ARG A 99 4.118 10.229 -5.874 1.00 0.70 C ATOM 1549 CD ARG A 99 4.542 9.485 -7.133 1.00 1.40 C ATOM 1550 NE ARG A 99 4.384 10.306 -8.332 1.00 1.74 N ATOM 1551 CZ ARG A 99 4.941 10.023 -9.510 1.00 2.46 C ATOM 1552 NH1 ARG A 99 5.699 8.941 -9.645 1.00 3.06 N ATOM 1553 NH2 ARG A 99 4.739 10.819 -10.552 1.00 2.98 N ATOM 0 H ARG A 99 1.727 9.434 -4.267 1.00 0.26 H new ATOM 0 HA ARG A 99 3.472 7.624 -5.659 1.00 0.25 H new ATOM 0 HB2 ARG A 99 3.947 9.935 -3.760 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.240 9.019 -4.510 1.00 0.30 H new ATOM 0 HG2 ARG A 99 3.095 10.588 -5.991 1.00 0.70 H new ATOM 0 HG3 ARG A 99 4.750 11.107 -5.740 1.00 0.70 H new ATOM 0 HD2 ARG A 99 5.583 9.177 -7.039 1.00 1.40 H new ATOM 0 HD3 ARG A 99 3.949 8.576 -7.235 1.00 1.40 H new ATOM 0 HE ARG A 99 3.812 11.148 -8.263 1.00 1.74 H new ATOM 0 HH11 ARG A 99 5.856 8.325 -8.847 1.00 3.06 H new ATOM 0 HH12 ARG A 99 6.124 8.726 -10.547 1.00 3.06 H new ATOM 0 HH21 ARG A 99 4.156 11.650 -10.453 1.00 2.98 H new ATOM 0 HH22 ARG A 99 5.167 10.600 -11.452 1.00 2.98 H new ATOM 1567 N ILE A 100 2.928 7.284 -2.470 1.00 0.22 N ATOM 1568 CA ILE A 100 3.037 6.343 -1.371 1.00 0.21 C ATOM 1569 C ILE A 100 2.507 4.991 -1.819 1.00 0.20 C ATOM 1570 O ILE A 100 3.136 3.956 -1.608 1.00 0.19 O ATOM 1571 CB ILE A 100 2.245 6.829 -0.140 1.00 0.24 C ATOM 1572 CG1 ILE A 100 2.824 8.148 0.374 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.249 5.772 0.952 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.202 8.622 1.667 1.00 0.30 C ATOM 0 H ILE A 100 2.266 8.043 -2.309 1.00 0.22 H new ATOM 0 HA ILE A 100 4.086 6.260 -1.087 1.00 0.21 H new ATOM 0 HB ILE A 100 1.210 7.000 -0.437 1.00 0.24 H new ATOM 0 HG12 ILE A 100 3.898 8.031 0.519 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.687 8.916 -0.388 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.685 6.135 1.811 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.789 4.858 0.576 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.276 5.564 1.253 1.00 0.24 H new ATOM 0 HD11 ILE A 100 2.663 9.562 1.969 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.132 8.772 1.522 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.362 7.874 2.443 1.00 0.30 H new ATOM 1586 N VAL A 101 1.347 5.026 -2.458 1.00 0.21 N ATOM 1587 CA VAL A 101 0.738 3.839 -3.022 1.00 0.21 C ATOM 1588 C VAL A 101 1.693 3.160 -3.989 1.00 0.20 C ATOM 1589 O VAL A 101 1.945 1.956 -3.898 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.547 4.196 -3.775 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.203 2.945 -4.315 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.497 4.958 -2.876 1.00 0.26 C ATOM 0 H VAL A 101 0.805 5.879 -2.598 1.00 0.21 H new ATOM 0 HA VAL A 101 0.504 3.164 -2.199 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.290 4.839 -4.617 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -2.115 3.214 -4.848 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.519 2.441 -4.998 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.448 2.277 -3.489 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.404 5.203 -3.429 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.753 4.343 -2.013 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -1.019 5.877 -2.538 1.00 0.26 H new ATOM 1602 N ALA A 102 2.210 3.952 -4.918 1.00 0.19 N ATOM 1603 CA ALA A 102 3.152 3.469 -5.911 1.00 0.19 C ATOM 1604 C ALA A 102 4.354 2.817 -5.243 1.00 0.17 C ATOM 1605 O ALA A 102 4.785 1.742 -5.647 1.00 0.19 O ATOM 1606 CB ALA A 102 3.596 4.612 -6.805 1.00 0.21 C ATOM 0 H ALA A 102 1.988 4.944 -5.002 1.00 0.19 H new ATOM 0 HA ALA A 102 2.656 2.716 -6.523 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.303 4.240 -7.547 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.729 5.036 -7.311 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.076 5.381 -6.200 1.00 0.21 H new ATOM 1612 N PHE A 103 4.864 3.467 -4.200 1.00 0.16 N ATOM 1613 CA PHE A 103 6.019 2.964 -3.456 1.00 0.17 C ATOM 1614 C PHE A 103 5.765 1.547 -2.948 1.00 0.17 C ATOM 1615 O PHE A 103 6.591 0.652 -3.134 1.00 0.21 O ATOM 1616 CB PHE A 103 6.342 3.900 -2.282 1.00 0.17 C ATOM 1617 CG PHE A 103 7.495 3.436 -1.431 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.764 3.317 -1.973 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.309 3.116 -0.094 1.00 0.17 C ATOM 1620 CE1 PHE A 103 9.824 2.889 -1.200 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.368 2.689 0.683 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.627 2.575 0.129 1.00 0.26 C ATOM 0 H PHE A 103 4.493 4.350 -3.848 1.00 0.16 H new ATOM 0 HA PHE A 103 6.874 2.935 -4.131 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.568 4.892 -2.673 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.456 3.998 -1.654 1.00 0.17 H new ATOM 0 HD1 PHE A 103 8.926 3.562 -3.012 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.326 3.202 0.344 1.00 0.17 H new ATOM 0 HE1 PHE A 103 10.808 2.800 -1.636 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.211 2.445 1.723 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.456 2.241 0.735 1.00 0.26 H new ATOM 1632 N PHE A 104 4.610 1.345 -2.332 1.00 0.16 N ATOM 1633 CA PHE A 104 4.256 0.041 -1.786 1.00 0.18 C ATOM 1634 C PHE A 104 4.030 -0.969 -2.905 1.00 0.19 C ATOM 1635 O PHE A 104 4.362 -2.149 -2.770 1.00 0.23 O ATOM 1636 CB PHE A 104 3.011 0.147 -0.902 1.00 0.19 C ATOM 1637 CG PHE A 104 3.287 0.697 0.472 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.700 2.009 0.650 1.00 0.24 C ATOM 1639 CD2 PHE A 104 3.132 -0.106 1.589 1.00 0.29 C ATOM 1640 CE1 PHE A 104 3.952 2.506 1.913 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.383 0.387 2.855 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.793 1.693 3.017 1.00 0.30 C ATOM 0 H PHE A 104 3.901 2.066 -2.197 1.00 0.16 H new ATOM 0 HA PHE A 104 5.087 -0.307 -1.172 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.278 0.784 -1.398 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.561 -0.841 -0.804 1.00 0.19 H new ATOM 0 HD1 PHE A 104 3.826 2.650 -0.210 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.811 -1.130 1.469 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.273 3.530 2.037 1.00 0.27 H new ATOM 0 HE2 PHE A 104 3.258 -0.251 3.718 1.00 0.33 H new ATOM 0 HZ PHE A 104 3.990 2.079 4.006 1.00 0.30 H new ATOM 1652 N SER A 105 3.486 -0.494 -4.016 1.00 0.18 N ATOM 1653 CA SER A 105 3.226 -1.350 -5.162 1.00 0.21 C ATOM 1654 C SER A 105 4.537 -1.812 -5.806 1.00 0.21 C ATOM 1655 O SER A 105 4.619 -2.925 -6.328 1.00 0.23 O ATOM 1656 CB SER A 105 2.359 -0.610 -6.182 1.00 0.25 C ATOM 1657 OG SER A 105 1.173 -0.119 -5.577 1.00 1.04 O ATOM 0 H SER A 105 3.216 0.481 -4.147 1.00 0.18 H new ATOM 0 HA SER A 105 2.689 -2.235 -4.819 1.00 0.21 H new ATOM 0 HB2 SER A 105 2.923 0.218 -6.612 1.00 0.25 H new ATOM 0 HB3 SER A 105 2.103 -1.281 -7.002 1.00 0.25 H new ATOM 0 HG SER A 105 1.398 0.607 -4.959 1.00 1.04 H new ATOM 1663 N PHE A 106 5.565 -0.963 -5.752 1.00 0.20 N ATOM 1664 CA PHE A 106 6.867 -1.314 -6.310 1.00 0.21 C ATOM 1665 C PHE A 106 7.474 -2.462 -5.525 1.00 0.22 C ATOM 1666 O PHE A 106 7.906 -3.453 -6.108 1.00 0.24 O ATOM 1667 CB PHE A 106 7.836 -0.124 -6.297 1.00 0.23 C ATOM 1668 CG PHE A 106 7.374 1.065 -7.089 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.600 0.910 -8.230 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.718 2.345 -6.687 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.176 2.011 -8.948 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.299 3.447 -7.403 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.526 3.280 -8.533 1.00 0.33 C ATOM 0 H PHE A 106 5.520 -0.035 -5.331 1.00 0.20 H new ATOM 0 HA PHE A 106 6.708 -1.610 -7.347 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.999 0.184 -5.264 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.799 -0.452 -6.687 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.326 -0.081 -8.560 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.322 2.482 -5.802 1.00 0.27 H new ATOM 0 HE1 PHE A 106 5.571 1.879 -9.833 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.576 4.439 -7.079 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.195 4.142 -9.093 1.00 0.33 H new ATOM 1683 N GLY A 107 7.486 -2.328 -4.200 1.00 0.23 N ATOM 1684 CA GLY A 107 8.030 -3.370 -3.348 1.00 0.27 C ATOM 1685 C GLY A 107 7.363 -4.706 -3.594 1.00 0.32 C ATOM 1686 O GLY A 107 8.020 -5.745 -3.586 1.00 0.37 O ATOM 0 H GLY A 107 7.127 -1.514 -3.702 1.00 0.23 H new ATOM 0 HA2 GLY A 107 9.102 -3.461 -3.525 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.903 -3.088 -2.303 1.00 0.27 H new ATOM 1690 N GLY A 108 6.054 -4.667 -3.824 1.00 0.33 N ATOM 1691 CA GLY A 108 5.312 -5.870 -4.148 1.00 0.41 C ATOM 1692 C GLY A 108 5.841 -6.551 -5.397 1.00 0.42 C ATOM 1693 O GLY A 108 6.004 -7.766 -5.428 1.00 0.63 O ATOM 0 H GLY A 108 5.492 -3.817 -3.791 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.363 -6.564 -3.309 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.261 -5.619 -4.290 1.00 0.41 H new ATOM 1697 N ALA A 109 6.127 -5.770 -6.422 1.00 0.27 N ATOM 1698 CA ALA A 109 6.672 -6.314 -7.655 1.00 0.26 C ATOM 1699 C ALA A 109 8.105 -6.783 -7.439 1.00 0.23 C ATOM 1700 O ALA A 109 8.513 -7.834 -7.940 1.00 0.24 O ATOM 1701 CB ALA A 109 6.612 -5.268 -8.753 1.00 0.29 C ATOM 0 H ALA A 109 5.992 -4.759 -6.427 1.00 0.27 H new ATOM 0 HA ALA A 109 6.073 -7.173 -7.958 1.00 0.26 H new ATOM 0 HB1 ALA A 109 7.022 -5.683 -9.674 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.576 -4.973 -8.918 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.195 -4.396 -8.457 1.00 0.29 H new ATOM 1707 N LEU A 110 8.846 -6.003 -6.666 1.00 0.22 N ATOM 1708 CA LEU A 110 10.245 -6.280 -6.383 1.00 0.23 C ATOM 1709 C LEU A 110 10.412 -7.589 -5.637 1.00 0.21 C ATOM 1710 O LEU A 110 11.230 -8.427 -6.017 1.00 0.21 O ATOM 1711 CB LEU A 110 10.836 -5.147 -5.553 1.00 0.25 C ATOM 1712 CG LEU A 110 10.846 -3.790 -6.237 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.362 -2.730 -5.286 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.687 -3.843 -7.498 1.00 0.36 C ATOM 0 H LEU A 110 8.492 -5.158 -6.217 1.00 0.22 H new ATOM 0 HA LEU A 110 10.770 -6.360 -7.335 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.272 -5.065 -4.624 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.859 -5.409 -5.283 1.00 0.25 H new ATOM 0 HG LEU A 110 9.826 -3.528 -6.520 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.365 -1.762 -5.787 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.717 -2.683 -4.409 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.377 -2.981 -4.977 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.685 -2.864 -7.978 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.710 -4.120 -7.242 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.271 -4.583 -8.182 1.00 0.36 H new ATOM 1726 N CYS A 111 9.640 -7.759 -4.571 1.00 0.21 N ATOM 1727 CA CYS A 111 9.759 -8.939 -3.729 1.00 0.21 C ATOM 1728 C CYS A 111 9.556 -10.212 -4.541 1.00 0.21 C ATOM 1729 O CYS A 111 10.225 -11.218 -4.310 1.00 0.25 O ATOM 1730 CB CYS A 111 8.769 -8.882 -2.559 1.00 0.22 C ATOM 1731 SG CYS A 111 7.022 -8.901 -3.021 1.00 1.34 S ATOM 0 H CYS A 111 8.926 -7.095 -4.271 1.00 0.21 H new ATOM 0 HA CYS A 111 10.769 -8.954 -3.319 1.00 0.21 H new ATOM 0 HB2 CYS A 111 8.962 -9.728 -1.900 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.965 -7.978 -1.983 1.00 0.22 H new ATOM 0 HG CYS A 111 6.886 -8.423 -4.222 1.00 1.34 H new ATOM 1737 N VAL A 112 8.662 -10.146 -5.516 1.00 0.19 N ATOM 1738 CA VAL A 112 8.347 -11.296 -6.340 1.00 0.20 C ATOM 1739 C VAL A 112 9.506 -11.640 -7.261 1.00 0.22 C ATOM 1740 O VAL A 112 10.028 -12.755 -7.223 1.00 0.25 O ATOM 1741 CB VAL A 112 7.086 -11.041 -7.176 1.00 0.23 C ATOM 1742 CG1 VAL A 112 6.824 -12.208 -8.106 1.00 0.27 C ATOM 1743 CG2 VAL A 112 5.894 -10.804 -6.268 1.00 0.25 C ATOM 0 H VAL A 112 8.141 -9.302 -5.754 1.00 0.19 H new ATOM 0 HA VAL A 112 8.166 -12.138 -5.672 1.00 0.20 H new ATOM 0 HB VAL A 112 7.242 -10.148 -7.782 1.00 0.23 H new ATOM 0 HG11 VAL A 112 5.926 -12.012 -8.692 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.674 -12.337 -8.776 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.683 -13.116 -7.520 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.006 -10.624 -6.873 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.734 -11.681 -5.641 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.084 -9.936 -5.637 1.00 0.25 H new ATOM 1753 N GLU A 113 9.912 -10.672 -8.078 1.00 0.22 N ATOM 1754 CA GLU A 113 10.998 -10.886 -9.029 1.00 0.25 C ATOM 1755 C GLU A 113 12.279 -11.292 -8.307 1.00 0.25 C ATOM 1756 O GLU A 113 13.128 -11.974 -8.873 1.00 0.30 O ATOM 1757 CB GLU A 113 11.232 -9.642 -9.898 1.00 0.29 C ATOM 1758 CG GLU A 113 11.551 -8.376 -9.119 1.00 0.30 C ATOM 1759 CD GLU A 113 11.727 -7.173 -10.026 1.00 0.39 C ATOM 1760 OE1 GLU A 113 10.757 -6.810 -10.728 1.00 0.51 O ATOM 1761 OE2 GLU A 113 12.837 -6.603 -10.065 1.00 0.50 O ATOM 0 H GLU A 113 9.507 -9.736 -8.101 1.00 0.22 H new ATOM 0 HA GLU A 113 10.705 -11.702 -9.689 1.00 0.25 H new ATOM 0 HB2 GLU A 113 12.052 -9.845 -10.587 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.343 -9.466 -10.504 1.00 0.29 H new ATOM 0 HG2 GLU A 113 10.749 -8.178 -8.407 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.462 -8.528 -8.539 1.00 0.30 H new ATOM 1768 N SER A 114 12.396 -10.896 -7.047 1.00 0.23 N ATOM 1769 CA SER A 114 13.526 -11.297 -6.227 1.00 0.28 C ATOM 1770 C SER A 114 13.501 -12.803 -5.989 1.00 0.27 C ATOM 1771 O SER A 114 14.513 -13.481 -6.137 1.00 0.31 O ATOM 1772 CB SER A 114 13.516 -10.552 -4.892 1.00 0.33 C ATOM 1773 OG SER A 114 13.643 -9.158 -5.092 1.00 0.99 O ATOM 0 H SER A 114 11.721 -10.297 -6.572 1.00 0.23 H new ATOM 0 HA SER A 114 14.442 -11.040 -6.759 1.00 0.28 H new ATOM 0 HB2 SER A 114 12.589 -10.764 -4.359 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.333 -10.910 -4.265 1.00 0.33 H new ATOM 0 HG SER A 114 12.756 -8.766 -5.233 1.00 0.99 H new ATOM 1779 N VAL A 115 12.331 -13.327 -5.659 1.00 0.28 N ATOM 1780 CA VAL A 115 12.192 -14.738 -5.345 1.00 0.33 C ATOM 1781 C VAL A 115 12.377 -15.591 -6.592 1.00 0.37 C ATOM 1782 O VAL A 115 13.126 -16.571 -6.576 1.00 0.42 O ATOM 1783 CB VAL A 115 10.821 -15.035 -4.719 1.00 0.40 C ATOM 1784 CG1 VAL A 115 10.667 -16.523 -4.450 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.648 -14.238 -3.439 1.00 0.41 C ATOM 0 H VAL A 115 11.463 -12.794 -5.602 1.00 0.28 H new ATOM 0 HA VAL A 115 12.969 -14.989 -4.623 1.00 0.33 H new ATOM 0 HB VAL A 115 10.044 -14.736 -5.422 1.00 0.40 H new ATOM 0 HG11 VAL A 115 9.690 -16.713 -4.007 1.00 0.45 H new ATOM 0 HG12 VAL A 115 10.754 -17.073 -5.387 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.447 -16.851 -3.763 1.00 0.45 H new ATOM 0 HG21 VAL A 115 9.673 -14.456 -3.004 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.431 -14.512 -2.731 1.00 0.41 H new ATOM 0 HG23 VAL A 115 10.716 -13.173 -3.661 1.00 0.41 H new ATOM 1795 N ASP A 116 11.700 -15.206 -7.668 1.00 0.38 N ATOM 1796 CA ASP A 116 11.782 -15.930 -8.936 1.00 0.46 C ATOM 1797 C ASP A 116 13.224 -16.068 -9.408 1.00 0.47 C ATOM 1798 O ASP A 116 13.602 -17.084 -9.991 1.00 0.56 O ATOM 1799 CB ASP A 116 10.965 -15.222 -10.022 1.00 0.49 C ATOM 1800 CG ASP A 116 9.471 -15.309 -9.798 1.00 1.08 C ATOM 1801 OD1 ASP A 116 8.906 -16.413 -9.946 1.00 1.23 O ATOM 1802 OD2 ASP A 116 8.848 -14.270 -9.511 1.00 1.89 O ATOM 0 H ASP A 116 11.085 -14.393 -7.689 1.00 0.38 H new ATOM 0 HA ASP A 116 11.372 -16.925 -8.762 1.00 0.46 H new ATOM 0 HB2 ASP A 116 11.259 -14.173 -10.063 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.206 -15.658 -10.991 1.00 0.49 H new ATOM 1807 N LYS A 117 14.031 -15.050 -9.138 1.00 0.43 N ATOM 1808 CA LYS A 117 15.414 -15.030 -9.598 1.00 0.49 C ATOM 1809 C LYS A 117 16.365 -15.547 -8.518 1.00 0.47 C ATOM 1810 O LYS A 117 17.574 -15.328 -8.590 1.00 0.52 O ATOM 1811 CB LYS A 117 15.799 -13.609 -10.022 1.00 0.53 C ATOM 1812 CG LYS A 117 14.910 -13.054 -11.126 1.00 0.61 C ATOM 1813 CD LYS A 117 15.185 -11.582 -11.379 1.00 1.20 C ATOM 1814 CE LYS A 117 14.179 -10.983 -12.355 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.239 -11.630 -13.694 1.00 1.90 N ATOM 0 H LYS A 117 13.752 -14.228 -8.603 1.00 0.43 H new ATOM 0 HA LYS A 117 15.501 -15.694 -10.458 1.00 0.49 H new ATOM 0 HB2 LYS A 117 15.746 -12.950 -9.155 1.00 0.53 H new ATOM 0 HB3 LYS A 117 16.835 -13.606 -10.361 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.074 -13.618 -12.044 1.00 0.61 H new ATOM 0 HG3 LYS A 117 13.863 -13.187 -10.853 1.00 0.61 H new ATOM 0 HD2 LYS A 117 15.147 -11.037 -10.436 1.00 1.20 H new ATOM 0 HD3 LYS A 117 16.193 -11.463 -11.776 1.00 1.20 H new ATOM 0 HE2 LYS A 117 13.174 -11.088 -11.948 1.00 1.32 H new ATOM 0 HE3 LYS A 117 14.370 -9.915 -12.461 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 13.599 -11.135 -14.348 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 15.212 -11.582 -14.059 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 13.949 -12.625 -13.612 1.00 1.90 H new ATOM 1829 N GLU A 118 15.802 -16.235 -7.521 1.00 0.45 N ATOM 1830 CA GLU A 118 16.585 -16.903 -6.475 1.00 0.49 C ATOM 1831 C GLU A 118 17.342 -15.897 -5.613 1.00 0.45 C ATOM 1832 O GLU A 118 18.429 -16.175 -5.108 1.00 0.55 O ATOM 1833 CB GLU A 118 17.553 -17.912 -7.098 1.00 0.59 C ATOM 1834 CG GLU A 118 16.855 -18.998 -7.898 1.00 1.07 C ATOM 1835 CD GLU A 118 17.826 -19.951 -8.555 1.00 1.72 C ATOM 1836 OE1 GLU A 118 18.249 -19.682 -9.697 1.00 2.54 O ATOM 1837 OE2 GLU A 118 18.178 -20.974 -7.926 1.00 1.89 O ATOM 0 H GLU A 118 14.793 -16.345 -7.415 1.00 0.45 H new ATOM 0 HA GLU A 118 15.889 -17.435 -5.826 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.250 -17.383 -7.748 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.143 -18.375 -6.307 1.00 0.59 H new ATOM 0 HG2 GLU A 118 16.191 -19.558 -7.240 1.00 1.07 H new ATOM 0 HG3 GLU A 118 16.231 -18.536 -8.663 1.00 1.07 H new ATOM 1844 N MET A 119 16.747 -14.734 -5.431 1.00 0.35 N ATOM 1845 CA MET A 119 17.323 -13.695 -4.597 1.00 0.33 C ATOM 1846 C MET A 119 16.465 -13.522 -3.348 1.00 0.31 C ATOM 1847 O MET A 119 15.924 -12.446 -3.085 1.00 0.27 O ATOM 1848 CB MET A 119 17.419 -12.375 -5.371 1.00 0.34 C ATOM 1849 CG MET A 119 18.154 -12.496 -6.698 1.00 0.41 C ATOM 1850 SD MET A 119 18.274 -10.926 -7.584 1.00 0.47 S ATOM 1851 CE MET A 119 16.553 -10.437 -7.659 1.00 0.44 C ATOM 0 H MET A 119 15.854 -14.483 -5.855 1.00 0.35 H new ATOM 0 HA MET A 119 18.332 -13.986 -4.304 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.413 -11.999 -5.556 1.00 0.34 H new ATOM 0 HB3 MET A 119 17.927 -11.636 -4.751 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.157 -12.883 -6.518 1.00 0.41 H new ATOM 0 HG3 MET A 119 17.640 -13.223 -7.327 1.00 0.41 H new ATOM 0 HE1 MET A 119 16.397 -9.787 -8.520 1.00 0.44 H new ATOM 0 HE2 MET A 119 15.927 -11.324 -7.755 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.287 -9.902 -6.748 1.00 0.44 H new ATOM 1861 N GLN A 120 16.341 -14.598 -2.580 1.00 0.36 N ATOM 1862 CA GLN A 120 15.483 -14.614 -1.399 1.00 0.39 C ATOM 1863 C GLN A 120 16.071 -13.756 -0.283 1.00 0.41 C ATOM 1864 O GLN A 120 15.364 -13.322 0.623 1.00 0.47 O ATOM 1865 CB GLN A 120 15.281 -16.045 -0.901 1.00 0.49 C ATOM 1866 CG GLN A 120 14.588 -16.960 -1.902 1.00 0.53 C ATOM 1867 CD GLN A 120 14.461 -18.381 -1.386 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.362 -18.604 -0.182 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.457 -19.350 -2.287 1.00 0.70 N ATOM 0 H GLN A 120 16.827 -15.477 -2.755 1.00 0.36 H new ATOM 0 HA GLN A 120 14.517 -14.197 -1.684 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.252 -16.471 -0.648 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.695 -16.019 0.018 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.596 -16.566 -2.126 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.148 -16.963 -2.837 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.541 -19.125 -3.278 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.370 -20.322 -1.990 1.00 0.70 H new ATOM 1878 N VAL A 121 17.367 -13.513 -0.346 1.00 0.39 N ATOM 1879 CA VAL A 121 18.006 -12.628 0.609 1.00 0.44 C ATOM 1880 C VAL A 121 17.690 -11.174 0.275 1.00 0.38 C ATOM 1881 O VAL A 121 17.738 -10.300 1.137 1.00 0.47 O ATOM 1882 CB VAL A 121 19.530 -12.832 0.647 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.872 -14.201 1.217 1.00 0.98 C ATOM 1884 CG2 VAL A 121 20.124 -12.670 -0.742 1.00 0.92 C ATOM 0 H VAL A 121 17.994 -13.913 -1.044 1.00 0.39 H new ATOM 0 HA VAL A 121 17.609 -12.871 1.595 1.00 0.44 H new ATOM 0 HB VAL A 121 19.962 -12.071 1.297 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.955 -14.327 1.236 1.00 0.98 H new ATOM 0 HG12 VAL A 121 19.479 -14.281 2.231 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.427 -14.976 0.593 1.00 0.98 H new ATOM 0 HG21 VAL A 121 21.203 -12.818 -0.696 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.685 -13.408 -1.414 1.00 0.92 H new ATOM 0 HG23 VAL A 121 19.911 -11.668 -1.114 1.00 0.92 H new ATOM 1894 N LEU A 122 17.336 -10.931 -0.981 1.00 0.30 N ATOM 1895 CA LEU A 122 17.000 -9.592 -1.431 1.00 0.27 C ATOM 1896 C LEU A 122 15.579 -9.220 -1.041 1.00 0.23 C ATOM 1897 O LEU A 122 15.327 -8.089 -0.644 1.00 0.23 O ATOM 1898 CB LEU A 122 17.191 -9.450 -2.941 1.00 0.28 C ATOM 1899 CG LEU A 122 18.591 -9.019 -3.378 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.636 -10.015 -2.915 1.00 0.39 C ATOM 1901 CD2 LEU A 122 18.644 -8.857 -4.883 1.00 0.41 C ATOM 0 H LEU A 122 17.275 -11.647 -1.705 1.00 0.30 H new ATOM 0 HA LEU A 122 17.683 -8.903 -0.934 1.00 0.27 H new ATOM 0 HB2 LEU A 122 16.957 -10.404 -3.413 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.470 -8.724 -3.316 1.00 0.28 H new ATOM 0 HG LEU A 122 18.812 -8.058 -2.913 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.623 -9.684 -3.239 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.616 -10.084 -1.827 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.422 -10.993 -3.345 1.00 0.39 H new ATOM 0 HD21 LEU A 122 19.647 -8.550 -5.181 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.399 -9.806 -5.360 1.00 0.41 H new ATOM 0 HD23 LEU A 122 17.925 -8.099 -5.193 1.00 0.41 H new ATOM 1913 N VAL A 123 14.654 -10.173 -1.130 1.00 0.23 N ATOM 1914 CA VAL A 123 13.264 -9.906 -0.769 1.00 0.25 C ATOM 1915 C VAL A 123 13.158 -9.512 0.705 1.00 0.27 C ATOM 1916 O VAL A 123 12.354 -8.656 1.078 1.00 0.31 O ATOM 1917 CB VAL A 123 12.332 -11.106 -1.072 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.778 -12.359 -0.348 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.901 -10.771 -0.702 1.00 0.31 C ATOM 0 H VAL A 123 14.838 -11.126 -1.445 1.00 0.23 H new ATOM 0 HA VAL A 123 12.930 -9.074 -1.389 1.00 0.25 H new ATOM 0 HB VAL A 123 12.388 -11.302 -2.143 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.099 -13.178 -0.586 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.788 -12.621 -0.663 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.768 -12.181 0.727 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.259 -11.624 -0.921 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.845 -10.538 0.361 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.568 -9.909 -1.280 1.00 0.31 H new ATOM 1929 N SER A 124 14.005 -10.116 1.526 1.00 0.29 N ATOM 1930 CA SER A 124 14.044 -9.805 2.948 1.00 0.35 C ATOM 1931 C SER A 124 14.593 -8.391 3.161 1.00 0.34 C ATOM 1932 O SER A 124 14.176 -7.680 4.077 1.00 0.44 O ATOM 1933 CB SER A 124 14.901 -10.838 3.693 1.00 0.43 C ATOM 1934 OG SER A 124 14.801 -10.676 5.096 1.00 1.32 O ATOM 0 H SER A 124 14.676 -10.826 1.231 1.00 0.29 H new ATOM 0 HA SER A 124 13.031 -9.847 3.349 1.00 0.35 H new ATOM 0 HB2 SER A 124 14.583 -11.844 3.418 1.00 0.43 H new ATOM 0 HB3 SER A 124 15.942 -10.738 3.387 1.00 0.43 H new ATOM 0 HG SER A 124 15.356 -11.348 5.543 1.00 1.32 H new ATOM 1940 N ARG A 125 15.511 -7.978 2.290 1.00 0.28 N ATOM 1941 CA ARG A 125 16.096 -6.646 2.375 1.00 0.31 C ATOM 1942 C ARG A 125 15.151 -5.602 1.793 1.00 0.24 C ATOM 1943 O ARG A 125 15.156 -4.450 2.218 1.00 0.24 O ATOM 1944 CB ARG A 125 17.446 -6.595 1.650 1.00 0.41 C ATOM 1945 CG ARG A 125 18.542 -7.410 2.332 1.00 0.91 C ATOM 1946 CD ARG A 125 19.862 -7.348 1.571 1.00 0.74 C ATOM 1947 NE ARG A 125 20.939 -8.022 2.291 1.00 1.01 N ATOM 1948 CZ ARG A 125 22.226 -7.708 2.165 1.00 1.24 C ATOM 1949 NH1 ARG A 125 22.593 -6.697 1.389 1.00 1.28 N ATOM 1950 NH2 ARG A 125 23.142 -8.400 2.826 1.00 1.84 N ATOM 0 H ARG A 125 15.864 -8.546 1.520 1.00 0.28 H new ATOM 0 HA ARG A 125 16.259 -6.420 3.429 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.315 -6.960 0.631 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.770 -5.557 1.577 1.00 0.41 H new ATOM 0 HG2 ARG A 125 18.691 -7.039 3.346 1.00 0.91 H new ATOM 0 HG3 ARG A 125 18.221 -8.448 2.417 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.738 -7.808 0.591 1.00 0.74 H new ATOM 0 HD3 ARG A 125 20.135 -6.306 1.402 1.00 0.74 H new ATOM 0 HE ARG A 125 20.690 -8.778 2.928 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.888 -6.158 0.887 1.00 1.28 H new ATOM 0 HH12 ARG A 125 23.580 -6.459 1.295 1.00 1.28 H new ATOM 0 HH21 ARG A 125 22.860 -9.172 3.430 1.00 1.84 H new ATOM 0 HH22 ARG A 125 24.129 -8.161 2.731 1.00 1.84 H new ATOM 1964 N ILE A 126 14.338 -6.010 0.826 1.00 0.21 N ATOM 1965 CA ILE A 126 13.340 -5.128 0.237 1.00 0.19 C ATOM 1966 C ILE A 126 12.415 -4.580 1.314 1.00 0.19 C ATOM 1967 O ILE A 126 12.167 -3.376 1.378 1.00 0.19 O ATOM 1968 CB ILE A 126 12.520 -5.863 -0.841 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.397 -6.127 -2.061 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.283 -5.066 -1.230 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.711 -6.921 -3.142 1.00 0.23 C ATOM 0 H ILE A 126 14.351 -6.951 0.432 1.00 0.21 H new ATOM 0 HA ILE A 126 13.863 -4.297 -0.237 1.00 0.19 H new ATOM 0 HB ILE A 126 12.181 -6.815 -0.432 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.724 -5.173 -2.475 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.293 -6.661 -1.744 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.725 -5.610 -1.992 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.653 -4.921 -0.353 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.585 -4.096 -1.624 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.397 -7.068 -3.976 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.409 -7.890 -2.745 1.00 0.23 H new ATOM 0 HD13 ILE A 126 11.830 -6.380 -3.488 1.00 0.23 H new ATOM 1983 N ALA A 127 11.924 -5.470 2.167 1.00 0.22 N ATOM 1984 CA ALA A 127 11.078 -5.073 3.282 1.00 0.25 C ATOM 1985 C ALA A 127 11.778 -4.045 4.163 1.00 0.24 C ATOM 1986 O ALA A 127 11.155 -3.102 4.652 1.00 0.26 O ATOM 1987 CB ALA A 127 10.684 -6.292 4.098 1.00 0.30 C ATOM 0 H ALA A 127 12.098 -6.473 2.107 1.00 0.22 H new ATOM 0 HA ALA A 127 10.177 -4.611 2.880 1.00 0.25 H new ATOM 0 HB1 ALA A 127 10.051 -5.984 4.930 1.00 0.30 H new ATOM 0 HB2 ALA A 127 10.137 -6.992 3.466 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.581 -6.776 4.484 1.00 0.30 H new ATOM 1993 N ALA A 128 13.079 -4.227 4.341 1.00 0.22 N ATOM 1994 CA ALA A 128 13.879 -3.321 5.150 1.00 0.23 C ATOM 1995 C ALA A 128 14.020 -1.962 4.471 1.00 0.19 C ATOM 1996 O ALA A 128 13.790 -0.923 5.091 1.00 0.19 O ATOM 1997 CB ALA A 128 15.246 -3.926 5.416 1.00 0.27 C ATOM 0 H ALA A 128 13.605 -5.000 3.933 1.00 0.22 H new ATOM 0 HA ALA A 128 13.369 -3.171 6.102 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.836 -3.239 6.022 1.00 0.27 H new ATOM 0 HB2 ALA A 128 15.129 -4.870 5.948 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.756 -4.104 4.469 1.00 0.27 H new ATOM 2003 N TRP A 129 14.387 -1.975 3.193 1.00 0.17 N ATOM 2004 CA TRP A 129 14.579 -0.738 2.437 1.00 0.17 C ATOM 2005 C TRP A 129 13.277 0.051 2.348 1.00 0.15 C ATOM 2006 O TRP A 129 13.268 1.274 2.503 1.00 0.18 O ATOM 2007 CB TRP A 129 15.101 -1.023 1.025 1.00 0.20 C ATOM 2008 CG TRP A 129 16.401 -1.764 0.996 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.403 -1.707 1.920 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.844 -2.663 -0.025 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.441 -2.522 1.539 1.00 0.33 N ATOM 2012 CE2 TRP A 129 18.121 -3.120 0.347 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.280 -3.130 -1.214 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.844 -4.020 -0.433 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.996 -4.021 -1.988 1.00 0.47 C ATOM 2016 CH2 TRP A 129 18.267 -4.459 -1.594 1.00 0.50 C ATOM 0 H TRP A 129 14.558 -2.827 2.658 1.00 0.17 H new ATOM 0 HA TRP A 129 15.322 -0.145 2.971 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.353 -1.600 0.482 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.221 -0.078 0.495 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.383 -1.109 2.819 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.308 -2.660 2.058 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.299 -2.799 -1.523 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.824 -4.359 -0.132 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.570 -4.386 -2.911 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.803 -5.158 -2.219 1.00 0.50 H new ATOM 2027 N MET A 130 12.182 -0.664 2.112 1.00 0.16 N ATOM 2028 CA MET A 130 10.862 -0.050 2.032 1.00 0.21 C ATOM 2029 C MET A 130 10.522 0.650 3.339 1.00 0.19 C ATOM 2030 O MET A 130 10.114 1.812 3.350 1.00 0.21 O ATOM 2031 CB MET A 130 9.803 -1.108 1.738 1.00 0.29 C ATOM 2032 CG MET A 130 9.774 -1.594 0.297 1.00 0.33 C ATOM 2033 SD MET A 130 8.654 -0.626 -0.724 1.00 0.71 S ATOM 2034 CE MET A 130 7.134 -0.821 0.205 1.00 0.29 C ATOM 0 H MET A 130 12.183 -1.674 1.972 1.00 0.16 H new ATOM 0 HA MET A 130 10.876 0.682 1.225 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.972 -1.963 2.392 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.823 -0.702 1.990 1.00 0.29 H new ATOM 0 HG2 MET A 130 10.779 -1.544 -0.122 1.00 0.33 H new ATOM 0 HG3 MET A 130 9.471 -2.641 0.274 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.411 -1.376 -0.393 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.338 -1.367 1.126 1.00 0.29 H new ATOM 0 HE3 MET A 130 6.727 0.161 0.447 1.00 0.29 H new ATOM 2044 N ALA A 131 10.712 -0.066 4.440 1.00 0.18 N ATOM 2045 CA ALA A 131 10.419 0.462 5.762 1.00 0.20 C ATOM 2046 C ALA A 131 11.287 1.675 6.060 1.00 0.21 C ATOM 2047 O ALA A 131 10.833 2.642 6.664 1.00 0.23 O ATOM 2048 CB ALA A 131 10.629 -0.613 6.812 1.00 0.23 C ATOM 0 H ALA A 131 11.071 -1.021 4.440 1.00 0.18 H new ATOM 0 HA ALA A 131 9.376 0.776 5.787 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.407 -0.206 7.799 1.00 0.23 H new ATOM 0 HB2 ALA A 131 9.967 -1.455 6.609 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.665 -0.951 6.784 1.00 0.23 H new ATOM 2054 N THR A 132 12.531 1.618 5.609 1.00 0.22 N ATOM 2055 CA THR A 132 13.476 2.706 5.811 1.00 0.25 C ATOM 2056 C THR A 132 12.982 3.987 5.136 1.00 0.24 C ATOM 2057 O THR A 132 12.811 5.013 5.795 1.00 0.25 O ATOM 2058 CB THR A 132 14.870 2.335 5.264 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.311 1.096 5.844 1.00 0.33 O ATOM 2060 CG2 THR A 132 15.881 3.430 5.574 1.00 0.37 C ATOM 0 H THR A 132 12.912 0.823 5.096 1.00 0.22 H new ATOM 0 HA THR A 132 13.555 2.879 6.884 1.00 0.25 H new ATOM 0 HB THR A 132 14.794 2.225 4.182 1.00 0.31 H new ATOM 0 HG1 THR A 132 15.008 0.348 5.287 1.00 0.33 H new ATOM 0 HG21 THR A 132 16.857 3.147 5.179 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.559 4.363 5.112 1.00 0.37 H new ATOM 0 HG23 THR A 132 15.952 3.565 6.653 1.00 0.37 H new ATOM 2068 N TYR A 133 12.738 3.927 3.827 1.00 0.23 N ATOM 2069 CA TYR A 133 12.259 5.097 3.095 1.00 0.24 C ATOM 2070 C TYR A 133 10.943 5.596 3.687 1.00 0.21 C ATOM 2071 O TYR A 133 10.749 6.799 3.866 1.00 0.23 O ATOM 2072 CB TYR A 133 12.077 4.784 1.605 1.00 0.27 C ATOM 2073 CG TYR A 133 11.450 5.923 0.821 1.00 0.33 C ATOM 2074 CD1 TYR A 133 12.225 6.978 0.352 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.090 5.940 0.543 1.00 0.36 C ATOM 2076 CE1 TYR A 133 11.664 8.014 -0.367 1.00 0.50 C ATOM 2077 CE2 TYR A 133 9.521 6.974 -0.179 1.00 0.45 C ATOM 2078 CZ TYR A 133 10.288 8.013 -0.602 1.00 0.51 C ATOM 2079 OH TYR A 133 9.753 9.038 -1.352 1.00 0.61 O ATOM 0 H TYR A 133 12.863 3.090 3.258 1.00 0.23 H new ATOM 0 HA TYR A 133 13.012 5.879 3.191 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.048 4.545 1.171 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.454 3.896 1.502 1.00 0.27 H new ATOM 0 HD1 TYR A 133 13.286 6.987 0.554 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.466 5.133 0.896 1.00 0.36 H new ATOM 0 HE1 TYR A 133 12.282 8.816 -0.743 1.00 0.50 H new ATOM 0 HE2 TYR A 133 8.465 6.955 -0.407 1.00 0.45 H new ATOM 0 HH TYR A 133 8.785 8.910 -1.437 1.00 0.61 H new ATOM 2089 N LEU A 134 10.056 4.664 4.003 1.00 0.20 N ATOM 2090 CA LEU A 134 8.757 4.998 4.564 1.00 0.20 C ATOM 2091 C LEU A 134 8.898 5.709 5.908 1.00 0.21 C ATOM 2092 O LEU A 134 8.356 6.792 6.101 1.00 0.24 O ATOM 2093 CB LEU A 134 7.914 3.727 4.708 1.00 0.20 C ATOM 2094 CG LEU A 134 6.673 3.843 5.594 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.739 4.921 5.072 1.00 0.26 C ATOM 2096 CD2 LEU A 134 5.951 2.507 5.670 1.00 0.26 C ATOM 0 H LEU A 134 10.215 3.664 3.879 1.00 0.20 H new ATOM 0 HA LEU A 134 8.253 5.685 3.884 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.598 3.410 3.714 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.549 2.937 5.108 1.00 0.20 H new ATOM 0 HG LEU A 134 6.993 4.124 6.597 1.00 0.22 H new ATOM 0 HD11 LEU A 134 4.863 4.987 5.717 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.258 5.880 5.065 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.426 4.671 4.058 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.070 2.605 6.304 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.646 2.201 4.669 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.619 1.756 6.091 1.00 0.26 H new ATOM 2108 N ASN A 135 9.653 5.121 6.817 1.00 0.24 N ATOM 2109 CA ASN A 135 9.740 5.633 8.178 1.00 0.29 C ATOM 2110 C ASN A 135 10.615 6.887 8.261 1.00 0.30 C ATOM 2111 O ASN A 135 10.340 7.792 9.047 1.00 0.33 O ATOM 2112 CB ASN A 135 10.268 4.539 9.114 1.00 0.37 C ATOM 2113 CG ASN A 135 10.302 4.964 10.573 1.00 0.92 C ATOM 2114 OD1 ASN A 135 9.304 4.852 11.285 1.00 1.17 O ATOM 2115 ND2 ASN A 135 11.458 5.413 11.038 1.00 1.46 N ATOM 0 H ASN A 135 10.216 4.289 6.641 1.00 0.24 H new ATOM 0 HA ASN A 135 8.737 5.921 8.494 1.00 0.29 H new ATOM 0 HB2 ASN A 135 9.642 3.652 9.015 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.273 4.256 8.801 1.00 0.37 H new ATOM 0 HD21 ASN A 135 11.544 5.681 12.019 1.00 1.46 H new ATOM 0 HD22 ASN A 135 12.262 5.491 10.416 1.00 1.46 H new ATOM 2122 N ASP A 136 11.656 6.951 7.442 1.00 0.32 N ATOM 2123 CA ASP A 136 12.596 8.072 7.503 1.00 0.37 C ATOM 2124 C ASP A 136 12.196 9.222 6.578 1.00 0.34 C ATOM 2125 O ASP A 136 12.133 10.371 7.007 1.00 0.36 O ATOM 2126 CB ASP A 136 14.020 7.613 7.170 1.00 0.46 C ATOM 2127 CG ASP A 136 15.004 8.767 7.139 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.379 9.270 8.219 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.417 9.170 6.032 1.00 2.07 O ATOM 0 H ASP A 136 11.873 6.250 6.733 1.00 0.32 H new ATOM 0 HA ASP A 136 12.566 8.443 8.527 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.345 6.881 7.909 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.021 7.112 6.202 1.00 0.46 H new ATOM 2134 N HIS A 137 11.927 8.917 5.313 1.00 0.33 N ATOM 2135 CA HIS A 137 11.659 9.967 4.322 1.00 0.35 C ATOM 2136 C HIS A 137 10.175 10.295 4.237 1.00 0.29 C ATOM 2137 O HIS A 137 9.783 11.458 4.210 1.00 0.32 O ATOM 2138 CB HIS A 137 12.128 9.560 2.916 1.00 0.45 C ATOM 2139 CG HIS A 137 13.609 9.407 2.753 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.400 10.360 2.153 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.435 8.381 3.065 1.00 1.53 C ATOM 2142 CE1 HIS A 137 15.644 9.928 2.099 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.695 8.729 2.645 1.00 1.34 N ATOM 0 H HIS A 137 11.888 7.966 4.947 1.00 0.33 H new ATOM 0 HA HIS A 137 12.216 10.841 4.660 1.00 0.35 H new ATOM 0 HB2 HIS A 137 11.651 8.616 2.651 1.00 0.45 H new ATOM 0 HB3 HIS A 137 11.776 10.306 2.204 1.00 0.45 H new ATOM 0 HD2 HIS A 137 14.155 7.460 3.554 1.00 1.53 H new ATOM 0 HE1 HIS A 137 16.481 10.466 1.678 1.00 0.95 H new ATOM 0 HE2 HIS A 137 16.533 8.155 2.740 1.00 1.34 H new ATOM 2152 N LEU A 138 9.358 9.259 4.196 1.00 0.26 N ATOM 2153 CA LEU A 138 7.954 9.404 3.845 1.00 0.25 C ATOM 2154 C LEU A 138 7.111 9.858 5.034 1.00 0.24 C ATOM 2155 O LEU A 138 6.256 10.736 4.898 1.00 0.25 O ATOM 2156 CB LEU A 138 7.443 8.069 3.307 1.00 0.23 C ATOM 2157 CG LEU A 138 6.100 8.117 2.592 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.178 9.055 1.399 1.00 0.26 C ATOM 2159 CD2 LEU A 138 5.699 6.720 2.151 1.00 0.22 C ATOM 0 H LEU A 138 9.643 8.302 4.402 1.00 0.26 H new ATOM 0 HA LEU A 138 7.864 10.177 3.082 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.186 7.667 2.619 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.367 7.368 4.138 1.00 0.23 H new ATOM 0 HG LEU A 138 5.342 8.495 3.278 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.212 9.083 0.894 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.438 10.057 1.740 1.00 0.26 H new ATOM 0 HD13 LEU A 138 6.940 8.699 0.706 1.00 0.26 H new ATOM 0 HD21 LEU A 138 4.737 6.762 1.640 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.453 6.322 1.472 1.00 0.22 H new ATOM 0 HD23 LEU A 138 5.618 6.072 3.024 1.00 0.22 H new ATOM 2171 N GLU A 139 7.359 9.257 6.192 1.00 0.26 N ATOM 2172 CA GLU A 139 6.597 9.546 7.405 1.00 0.29 C ATOM 2173 C GLU A 139 6.525 11.046 7.736 1.00 0.30 C ATOM 2174 O GLU A 139 5.458 11.520 8.128 1.00 0.30 O ATOM 2175 CB GLU A 139 7.159 8.761 8.596 1.00 0.36 C ATOM 2176 CG GLU A 139 6.412 9.011 9.897 1.00 0.52 C ATOM 2177 CD GLU A 139 6.758 8.009 10.973 1.00 1.00 C ATOM 2178 OE1 GLU A 139 6.147 6.923 11.001 1.00 1.46 O ATOM 2179 OE2 GLU A 139 7.662 8.299 11.782 1.00 1.74 O ATOM 0 H GLU A 139 8.091 8.558 6.318 1.00 0.26 H new ATOM 0 HA GLU A 139 5.575 9.223 7.208 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.126 7.696 8.367 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.208 9.025 8.732 1.00 0.36 H new ATOM 0 HG2 GLU A 139 6.641 10.015 10.255 1.00 0.52 H new ATOM 0 HG3 GLU A 139 5.339 8.977 9.707 1.00 0.52 H new ATOM 2186 N PRO A 140 7.633 11.821 7.623 1.00 0.33 N ATOM 2187 CA PRO A 140 7.584 13.274 7.829 1.00 0.36 C ATOM 2188 C PRO A 140 6.441 13.934 7.059 1.00 0.31 C ATOM 2189 O PRO A 140 5.618 14.636 7.647 1.00 0.36 O ATOM 2190 CB PRO A 140 8.937 13.757 7.306 1.00 0.42 C ATOM 2191 CG PRO A 140 9.849 12.603 7.525 1.00 0.42 C ATOM 2192 CD PRO A 140 9.012 11.363 7.339 1.00 0.35 C ATOM 0 HA PRO A 140 7.404 13.530 8.873 1.00 0.36 H new ATOM 0 HB2 PRO A 140 8.883 14.026 6.251 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.279 14.642 7.844 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.678 12.623 6.818 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.282 12.634 8.525 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.102 10.968 6.327 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.318 10.568 8.020 1.00 0.35 H new ATOM 2200 N TRP A 141 6.364 13.670 5.756 1.00 0.28 N ATOM 2201 CA TRP A 141 5.336 14.280 4.921 1.00 0.25 C ATOM 2202 C TRP A 141 3.959 13.753 5.308 1.00 0.22 C ATOM 2203 O TRP A 141 2.988 14.509 5.384 1.00 0.22 O ATOM 2204 CB TRP A 141 5.600 14.010 3.432 1.00 0.29 C ATOM 2205 CG TRP A 141 4.618 14.703 2.536 1.00 0.29 C ATOM 2206 CD1 TRP A 141 4.685 15.990 2.088 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.416 14.148 1.989 1.00 0.30 C ATOM 2208 NE1 TRP A 141 3.594 16.271 1.304 1.00 0.35 N ATOM 2209 CE2 TRP A 141 2.801 15.157 1.226 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.800 12.897 2.073 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.597 14.954 0.556 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.607 12.697 1.405 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.017 13.720 0.655 1.00 0.36 C ATOM 0 H TRP A 141 6.997 13.042 5.260 1.00 0.28 H new ATOM 0 HA TRP A 141 5.366 15.357 5.085 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.609 14.337 3.181 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.558 12.936 3.249 1.00 0.29 H new ATOM 0 HD1 TRP A 141 5.479 16.685 2.317 1.00 0.32 H new ATOM 0 HE1 TRP A 141 3.404 17.166 0.852 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.248 12.101 2.649 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.138 15.743 -0.021 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.122 11.734 1.463 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.085 13.531 0.144 1.00 0.36 H new ATOM 2224 N ILE A 142 3.889 12.455 5.566 1.00 0.20 N ATOM 2225 CA ILE A 142 2.645 11.813 5.966 1.00 0.19 C ATOM 2226 C ILE A 142 2.092 12.464 7.233 1.00 0.20 C ATOM 2227 O ILE A 142 0.934 12.884 7.273 1.00 0.20 O ATOM 2228 CB ILE A 142 2.866 10.302 6.204 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.240 9.601 4.896 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.630 9.658 6.810 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.558 8.134 5.071 1.00 0.23 C ATOM 0 H ILE A 142 4.686 11.821 5.505 1.00 0.20 H new ATOM 0 HA ILE A 142 1.922 11.939 5.160 1.00 0.19 H new ATOM 0 HB ILE A 142 3.689 10.191 6.909 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.417 9.705 4.189 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.103 10.102 4.457 1.00 0.21 H new ATOM 0 HG21 ILE A 142 1.813 8.595 6.967 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.404 10.132 7.765 1.00 0.25 H new ATOM 0 HG23 ILE A 142 0.785 9.784 6.133 1.00 0.25 H new ATOM 0 HD11 ILE A 142 3.815 7.700 4.105 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.400 8.023 5.754 1.00 0.23 H new ATOM 0 HD13 ILE A 142 2.689 7.620 5.481 1.00 0.23 H new ATOM 2243 N GLN A 143 2.938 12.563 8.250 1.00 0.25 N ATOM 2244 CA GLN A 143 2.543 13.105 9.543 1.00 0.30 C ATOM 2245 C GLN A 143 2.128 14.574 9.431 1.00 0.29 C ATOM 2246 O GLN A 143 1.174 14.999 10.081 1.00 0.31 O ATOM 2247 CB GLN A 143 3.687 12.956 10.548 1.00 0.40 C ATOM 2248 CG GLN A 143 3.286 13.250 11.987 1.00 0.51 C ATOM 2249 CD GLN A 143 2.229 12.292 12.510 1.00 0.95 C ATOM 2250 OE1 GLN A 143 2.552 11.246 13.072 1.00 1.51 O ATOM 2251 NE2 GLN A 143 0.962 12.639 12.332 1.00 1.60 N ATOM 0 H GLN A 143 3.914 12.271 8.202 1.00 0.25 H new ATOM 0 HA GLN A 143 1.680 12.539 9.894 1.00 0.30 H new ATOM 0 HB2 GLN A 143 4.078 11.940 10.490 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.498 13.626 10.263 1.00 0.40 H new ATOM 0 HG2 GLN A 143 4.169 13.194 12.624 1.00 0.51 H new ATOM 0 HG3 GLN A 143 2.910 14.271 12.053 1.00 0.51 H new ATOM 0 HE21 GLN A 143 0.734 13.515 11.861 1.00 1.60 H new ATOM 0 HE22 GLN A 143 0.215 12.030 12.666 1.00 1.60 H new ATOM 2260 N GLU A 144 2.836 15.342 8.600 1.00 0.29 N ATOM 2261 CA GLU A 144 2.519 16.761 8.401 1.00 0.33 C ATOM 2262 C GLU A 144 1.124 16.937 7.811 1.00 0.29 C ATOM 2263 O GLU A 144 0.484 17.971 8.000 1.00 0.35 O ATOM 2264 CB GLU A 144 3.545 17.437 7.488 1.00 0.41 C ATOM 2265 CG GLU A 144 4.902 17.665 8.134 1.00 0.64 C ATOM 2266 CD GLU A 144 5.883 18.321 7.189 1.00 1.09 C ATOM 2267 OE1 GLU A 144 5.810 19.553 7.008 1.00 1.75 O ATOM 2268 OE2 GLU A 144 6.736 17.612 6.619 1.00 1.25 O ATOM 0 H GLU A 144 3.631 15.008 8.055 1.00 0.29 H new ATOM 0 HA GLU A 144 2.552 17.235 9.382 1.00 0.33 H new ATOM 0 HB2 GLU A 144 3.679 16.826 6.596 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.146 18.397 7.160 1.00 0.41 H new ATOM 0 HG2 GLU A 144 4.780 18.289 9.019 1.00 0.64 H new ATOM 0 HG3 GLU A 144 5.307 16.711 8.470 1.00 0.64 H new ATOM 2275 N ASN A 145 0.658 15.928 7.092 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.679 15.964 6.509 1.00 0.28 C ATOM 2277 C ASN A 145 -1.686 15.299 7.436 1.00 0.30 C ATOM 2278 O ASN A 145 -2.820 15.036 7.044 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.701 15.285 5.134 1.00 0.32 C ATOM 2280 CG ASN A 145 -0.064 16.137 4.050 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.744 16.909 3.374 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.241 16.003 3.864 1.00 0.33 N ATOM 0 H ASN A 145 1.182 15.075 6.897 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.957 17.010 6.379 1.00 0.28 H new ATOM 0 HB2 ASN A 145 -0.177 14.331 5.196 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.732 15.065 4.858 1.00 0.32 H new ATOM 0 HD21 ASN A 145 1.712 16.549 3.143 1.00 0.33 H new ATOM 0 HD22 ASN A 145 1.775 15.354 4.442 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.269 15.031 8.667 1.00 0.25 N ATOM 2290 CA GLY A 146 -2.171 14.456 9.647 1.00 0.30 C ATOM 2291 C GLY A 146 -1.793 13.041 10.035 1.00 0.30 C ATOM 2292 O GLY A 146 -2.077 12.599 11.148 1.00 0.41 O ATOM 0 H GLY A 146 -0.322 15.202 9.005 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -2.178 15.083 10.539 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -3.185 14.459 9.247 1.00 0.30 H new ATOM 2296 N GLY A 147 -1.154 12.329 9.118 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.770 10.956 9.372 1.00 0.22 C ATOM 2298 C GLY A 147 -1.460 10.000 8.423 1.00 0.19 C ATOM 2299 O GLY A 147 -2.165 10.434 7.508 1.00 0.20 O ATOM 0 H GLY A 147 -0.893 12.681 8.197 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.310 10.855 9.270 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -1.019 10.692 10.400 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.258 8.705 8.632 1.00 0.20 N ATOM 2304 CA TRP A 148 -1.891 7.683 7.806 1.00 0.21 C ATOM 2305 C TRP A 148 -3.405 7.846 7.775 1.00 0.23 C ATOM 2306 O TRP A 148 -4.029 7.614 6.742 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.547 6.277 8.304 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.190 5.792 7.892 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.852 5.455 8.709 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.266 5.580 6.552 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.918 5.027 7.958 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.585 5.098 6.633 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.316 5.741 5.291 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.331 4.779 5.506 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.430 5.426 4.171 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.740 4.946 4.287 1.00 0.24 C ATOM 0 H TRP A 148 -0.658 8.336 9.370 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.502 7.811 6.796 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.610 6.264 9.392 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.298 5.579 7.933 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.839 5.516 9.787 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.813 4.708 8.328 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.328 6.104 5.194 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.343 4.412 5.591 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 -0.005 5.552 3.190 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.295 4.703 3.393 1.00 0.24 H new ATOM 2327 N ASP A 149 -3.987 8.266 8.902 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.445 8.419 9.012 1.00 0.31 C ATOM 2329 C ASP A 149 -6.000 9.322 7.916 1.00 0.30 C ATOM 2330 O ASP A 149 -7.156 9.189 7.515 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.846 8.979 10.380 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.764 7.950 11.487 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -6.690 7.117 11.596 1.00 1.96 O ATOM 2334 OD2 ASP A 149 -4.781 7.976 12.261 1.00 1.94 O ATOM 0 H ASP A 149 -3.474 8.506 9.751 1.00 0.26 H new ATOM 0 HA ASP A 149 -5.872 7.423 8.896 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -5.199 9.821 10.626 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -6.864 9.365 10.324 1.00 0.40 H new ATOM 2339 N THR A 150 -5.173 10.233 7.430 1.00 0.27 N ATOM 2340 CA THR A 150 -5.565 11.139 6.365 1.00 0.29 C ATOM 2341 C THR A 150 -5.752 10.373 5.055 1.00 0.28 C ATOM 2342 O THR A 150 -6.768 10.520 4.374 1.00 0.33 O ATOM 2343 CB THR A 150 -4.496 12.228 6.180 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.213 12.842 7.446 1.00 0.38 O ATOM 2345 CG2 THR A 150 -4.957 13.281 5.188 1.00 0.37 C ATOM 0 H THR A 150 -4.217 10.364 7.761 1.00 0.27 H new ATOM 0 HA THR A 150 -6.511 11.606 6.638 1.00 0.29 H new ATOM 0 HB THR A 150 -3.592 11.763 5.787 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.540 13.544 7.326 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.182 14.039 5.076 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.149 12.812 4.223 1.00 0.37 H new ATOM 0 HG23 THR A 150 -5.872 13.748 5.552 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.768 9.548 4.720 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.806 8.769 3.491 1.00 0.25 C ATOM 2355 C PHE A 151 -5.810 7.627 3.603 1.00 0.26 C ATOM 2356 O PHE A 151 -6.542 7.336 2.656 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.413 8.221 3.167 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.387 7.302 1.979 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -3.804 7.744 0.733 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -2.950 5.994 2.108 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -3.790 6.899 -0.357 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -2.932 5.146 1.022 1.00 0.28 C ATOM 2363 CZ PHE A 151 -3.353 5.597 -0.213 1.00 0.34 C ATOM 0 H PHE A 151 -3.932 9.402 5.285 1.00 0.24 H new ATOM 0 HA PHE A 151 -5.124 9.425 2.681 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.737 9.056 2.984 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.031 7.687 4.037 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -4.144 8.762 0.614 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -2.619 5.634 3.071 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -4.120 7.255 -1.322 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -2.589 4.129 1.137 1.00 0.28 H new ATOM 0 HZ PHE A 151 -3.341 4.933 -1.065 1.00 0.34 H new ATOM 2373 N VAL A 152 -5.852 6.993 4.769 1.00 0.25 N ATOM 2374 CA VAL A 152 -6.756 5.876 4.999 1.00 0.29 C ATOM 2375 C VAL A 152 -8.202 6.318 4.860 1.00 0.35 C ATOM 2376 O VAL A 152 -9.032 5.583 4.335 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.540 5.251 6.388 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -7.511 4.107 6.628 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.107 4.770 6.531 1.00 0.28 C ATOM 0 H VAL A 152 -5.269 7.235 5.570 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.536 5.122 4.244 1.00 0.29 H new ATOM 0 HB VAL A 152 -6.730 6.017 7.140 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.337 3.683 7.617 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -8.534 4.479 6.568 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.360 3.337 5.871 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -4.968 4.330 7.518 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -4.897 4.021 5.767 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.427 5.613 6.410 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.483 7.533 5.310 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.825 8.091 5.235 1.00 0.46 C ATOM 2391 C GLU A 153 -10.325 8.123 3.791 1.00 0.51 C ATOM 2392 O GLU A 153 -11.509 7.901 3.536 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.840 9.503 5.816 1.00 0.52 C ATOM 2394 CG GLU A 153 -11.236 10.020 6.105 1.00 0.70 C ATOM 2395 CD GLU A 153 -11.949 9.181 7.143 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -11.708 9.386 8.351 1.00 1.42 O ATOM 2397 OE2 GLU A 153 -12.749 8.305 6.753 1.00 2.17 O ATOM 0 H GLU A 153 -7.794 8.154 5.734 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.489 7.453 5.817 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.258 9.515 6.738 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -9.347 10.180 5.119 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.176 11.052 6.452 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.818 10.027 5.183 1.00 0.70 H new ATOM 2404 N LEU A 154 -9.409 8.369 2.852 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.757 8.455 1.431 1.00 0.59 C ATOM 2406 C LEU A 154 -10.352 7.139 0.937 1.00 0.68 C ATOM 2407 O LEU A 154 -11.207 7.124 0.052 1.00 0.74 O ATOM 2408 CB LEU A 154 -8.525 8.822 0.595 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.883 10.168 0.938 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.617 10.378 0.120 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.867 11.304 0.697 1.00 0.67 C ATOM 0 H LEU A 154 -8.419 8.512 3.050 1.00 0.50 H new ATOM 0 HA LEU A 154 -10.506 9.239 1.315 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -7.777 8.039 0.717 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -8.809 8.831 -0.457 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.614 10.163 1.994 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -6.173 11.340 0.377 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.906 9.581 0.338 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.863 10.364 -0.942 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.394 12.254 0.946 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -9.165 11.311 -0.351 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.747 11.162 1.324 1.00 0.67 H new ATOM 2444 N GLY A 156 -11.574 5.087 3.311 1.00 0.89 N ATOM 2445 CA GLY A 156 -12.196 4.691 4.556 1.00 1.02 C ATOM 2446 C GLY A 156 -13.683 4.958 4.581 1.00 1.11 C ATOM 2447 O GLY A 156 -14.400 4.620 3.637 1.00 1.68 O ATOM 0 HA2 GLY A 156 -12.020 3.628 4.722 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -11.722 5.225 5.379 1.00 1.02 H new ATOM 2451 N ASN A 157 -14.149 5.572 5.658 1.00 1.62 N ATOM 2452 CA ASN A 157 -15.580 5.738 5.881 1.00 2.05 C ATOM 2453 C ASN A 157 -16.061 7.140 5.533 1.00 2.33 C ATOM 2454 O ASN A 157 -17.054 7.304 4.823 1.00 2.52 O ATOM 2455 CB ASN A 157 -15.928 5.420 7.336 1.00 3.21 C ATOM 2456 CG ASN A 157 -15.717 3.958 7.691 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -15.355 3.631 8.821 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -15.954 3.067 6.741 1.00 4.60 N ATOM 0 H ASN A 157 -13.559 5.964 6.392 1.00 1.62 H new ATOM 0 HA ASN A 157 -16.090 5.040 5.217 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -15.318 6.039 7.993 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -16.968 5.687 7.522 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -15.838 2.072 6.934 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -16.253 3.375 5.816 1.00 4.60 H new ATOM 2465 N ASN A 158 -15.356 8.154 6.014 1.00 2.99 N ATOM 2466 CA ASN A 158 -15.850 9.524 5.918 1.00 4.03 C ATOM 2467 C ASN A 158 -15.698 10.075 4.507 1.00 4.18 C ATOM 2468 O ASN A 158 -16.633 10.667 3.968 1.00 4.81 O ATOM 2469 CB ASN A 158 -15.148 10.435 6.928 1.00 5.08 C ATOM 2470 CG ASN A 158 -15.424 10.037 8.368 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -16.434 10.430 8.953 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -14.519 9.272 8.958 1.00 6.76 N ATOM 0 H ASN A 158 -14.449 8.058 6.471 1.00 2.99 H new ATOM 0 HA ASN A 158 -16.913 9.502 6.157 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -14.073 10.410 6.748 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -15.473 11.463 6.771 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -14.646 8.989 9.930 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -13.695 8.966 8.441 1.00 6.76 H new ATOM 2479 N ALA A 159 -14.536 9.861 3.894 1.00 3.95 N ATOM 2480 CA ALA A 159 -14.294 10.368 2.543 1.00 4.72 C ATOM 2481 C ALA A 159 -15.166 9.645 1.524 1.00 4.66 C ATOM 2482 O ALA A 159 -15.405 10.148 0.425 1.00 5.63 O ATOM 2483 CB ALA A 159 -12.828 10.242 2.172 1.00 4.78 C ATOM 0 H ALA A 159 -13.756 9.347 4.303 1.00 3.95 H new ATOM 0 HA ALA A 159 -14.561 11.425 2.531 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -12.674 10.625 1.163 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -12.224 10.816 2.875 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -12.532 9.194 2.211 1.00 4.78 H new ATOM 2489 N ALA A 160 -15.645 8.466 1.899 1.00 3.75 N ATOM 2490 CA ALA A 160 -16.565 7.710 1.057 1.00 4.08 C ATOM 2491 C ALA A 160 -17.868 8.481 0.862 1.00 4.33 C ATOM 2492 O ALA A 160 -18.442 8.488 -0.227 1.00 5.11 O ATOM 2493 CB ALA A 160 -16.839 6.344 1.664 1.00 3.59 C ATOM 0 H ALA A 160 -15.412 8.011 2.782 1.00 3.75 H new ATOM 0 HA ALA A 160 -16.102 7.567 0.081 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -17.527 5.793 1.023 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -15.904 5.791 1.753 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -17.283 6.467 2.652 1.00 3.59 H new ATOM 2499 N ALA A 161 -18.330 9.132 1.921 1.00 3.93 N ATOM 2500 CA ALA A 161 -19.529 9.955 1.845 1.00 4.43 C ATOM 2501 C ALA A 161 -19.213 11.291 1.180 1.00 5.54 C ATOM 2502 O ALA A 161 -20.041 11.854 0.463 1.00 6.11 O ATOM 2503 CB ALA A 161 -20.114 10.170 3.230 1.00 4.39 C ATOM 0 H ALA A 161 -17.893 9.106 2.842 1.00 3.93 H new ATOM 0 HA ALA A 161 -20.270 9.435 1.238 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -21.009 10.787 3.155 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -20.373 9.207 3.669 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -19.380 10.671 3.861 1.00 4.39 H new ATOM 2509 N GLU A 162 -17.999 11.783 1.409 1.00 5.98 N ATOM 2510 CA GLU A 162 -17.553 13.033 0.804 1.00 7.23 C ATOM 2511 C GLU A 162 -17.573 12.929 -0.718 1.00 7.80 C ATOM 2512 O GLU A 162 -18.078 13.820 -1.402 1.00 8.75 O ATOM 2513 CB GLU A 162 -16.142 13.392 1.279 1.00 7.72 C ATOM 2514 CG GLU A 162 -16.047 13.656 2.772 1.00 7.99 C ATOM 2515 CD GLU A 162 -16.942 14.791 3.218 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -16.582 15.963 2.990 1.00 9.09 O ATOM 2517 OE2 GLU A 162 -18.013 14.519 3.796 1.00 9.03 O ATOM 0 H GLU A 162 -17.307 11.335 2.009 1.00 5.98 H new ATOM 0 HA GLU A 162 -18.240 13.820 1.115 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -15.463 12.580 1.019 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -15.801 14.276 0.741 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -16.316 12.750 3.316 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -15.014 13.889 3.032 1.00 7.99 H new ATOM 2524 N SER A 163 -17.044 11.826 -1.240 1.00 7.39 N ATOM 2525 CA SER A 163 -16.982 11.611 -2.679 1.00 8.21 C ATOM 2526 C SER A 163 -18.373 11.375 -3.264 1.00 8.28 C ATOM 2527 O SER A 163 -18.629 11.678 -4.432 1.00 9.15 O ATOM 2528 CB SER A 163 -16.057 10.433 -2.992 1.00 8.03 C ATOM 2529 OG SER A 163 -16.382 9.304 -2.196 1.00 7.86 O ATOM 0 H SER A 163 -16.651 11.066 -0.684 1.00 7.39 H new ATOM 0 HA SER A 163 -16.578 12.511 -3.143 1.00 8.21 H new ATOM 0 HB2 SER A 163 -16.138 10.173 -4.048 1.00 8.03 H new ATOM 0 HB3 SER A 163 -15.021 10.722 -2.813 1.00 8.03 H new ATOM 0 HG SER A 163 -15.974 9.400 -1.310 1.00 7.86 H new ATOM 2535 N ARG A 164 -19.270 10.835 -2.447 1.00 7.47 N ATOM 2536 CA ARG A 164 -20.652 10.628 -2.863 1.00 7.60 C ATOM 2537 C ARG A 164 -21.328 11.975 -3.108 1.00 8.33 C ATOM 2538 O ARG A 164 -21.960 12.190 -4.144 1.00 8.87 O ATOM 2539 CB ARG A 164 -21.419 9.829 -1.802 1.00 6.69 C ATOM 2540 CG ARG A 164 -22.878 9.578 -2.156 1.00 6.19 C ATOM 2541 CD ARG A 164 -23.592 8.775 -1.078 1.00 5.74 C ATOM 2542 NE ARG A 164 -23.061 7.416 -0.952 1.00 5.66 N ATOM 2543 CZ ARG A 164 -23.380 6.575 0.035 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -24.251 6.942 0.967 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -22.841 5.362 0.078 1.00 6.02 N ATOM 0 H ARG A 164 -19.066 10.533 -1.494 1.00 7.47 H new ATOM 0 HA ARG A 164 -20.658 10.056 -3.791 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -20.921 8.871 -1.652 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -21.372 10.364 -0.854 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -23.387 10.532 -2.296 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -22.935 9.044 -3.105 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -23.497 9.290 -0.122 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -24.656 8.727 -1.309 1.00 5.74 H new ATOM 0 HE ARG A 164 -22.406 7.091 -1.663 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -24.678 7.868 0.930 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -24.494 6.298 1.720 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -22.182 5.071 -0.644 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -23.086 4.721 0.833 1.00 6.02 H new ATOM 2559 N LYS A 165 -21.163 12.887 -2.158 1.00 8.52 N ATOM 2560 CA LYS A 165 -21.721 14.228 -2.274 1.00 9.41 C ATOM 2561 C LYS A 165 -20.981 15.028 -3.340 1.00 10.47 C ATOM 2562 O LYS A 165 -21.586 15.798 -4.088 1.00 11.24 O ATOM 2563 CB LYS A 165 -21.639 14.953 -0.932 1.00 9.61 C ATOM 2564 CG LYS A 165 -22.428 14.275 0.174 1.00 9.69 C ATOM 2565 CD LYS A 165 -23.922 14.300 -0.102 1.00 10.12 C ATOM 2566 CE LYS A 165 -24.711 13.607 0.997 1.00 10.34 C ATOM 2567 NZ LYS A 165 -24.401 14.158 2.342 1.00 10.42 N ATOM 0 H LYS A 165 -20.645 12.721 -1.295 1.00 8.52 H new ATOM 0 HA LYS A 165 -22.767 14.138 -2.568 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -20.594 15.024 -0.630 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -22.005 15.972 -1.056 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -22.095 13.242 0.278 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -22.225 14.772 1.123 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -24.257 15.333 -0.194 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -24.123 13.813 -1.056 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -25.778 13.714 0.799 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -24.490 12.540 0.983 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -25.097 13.807 3.030 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -23.448 13.857 2.629 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -24.441 15.197 2.309 1.00 10.42 H new ATOM 2581 N GLY A 166 -19.670 14.829 -3.405 1.00 10.61 N ATOM 2582 CA GLY A 166 -18.851 15.518 -4.383 1.00 11.72 C ATOM 2583 C GLY A 166 -19.260 15.200 -5.805 1.00 12.02 C ATOM 2584 O GLY A 166 -19.119 16.032 -6.699 1.00 13.02 O ATOM 0 H GLY A 166 -19.156 14.197 -2.791 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -18.922 16.593 -4.219 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -17.807 15.242 -4.238 1.00 11.72 H new ATOM 2588 N GLN A 167 -19.774 13.998 -6.018 1.00 11.25 N ATOM 2589 CA GLN A 167 -20.232 13.591 -7.339 1.00 11.64 C ATOM 2590 C GLN A 167 -21.410 14.451 -7.780 1.00 12.01 C ATOM 2591 O GLN A 167 -21.424 14.966 -8.895 1.00 12.84 O ATOM 2592 CB GLN A 167 -20.624 12.107 -7.347 1.00 10.86 C ATOM 2593 CG GLN A 167 -21.009 11.565 -8.721 1.00 11.50 C ATOM 2594 CD GLN A 167 -19.871 11.618 -9.727 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -19.018 12.505 -9.682 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -19.844 10.664 -10.639 1.00 12.41 N ATOM 0 H GLN A 167 -19.885 13.288 -5.294 1.00 11.25 H new ATOM 0 HA GLN A 167 -19.412 13.732 -8.043 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -19.791 11.521 -6.959 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -21.461 11.961 -6.664 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -21.345 10.533 -8.616 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -21.853 12.137 -9.107 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -20.567 9.945 -10.646 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -19.100 10.646 -11.336 1.00 12.41 H new ATOM 2605 N GLU A 168 -22.371 14.630 -6.879 1.00 11.51 N ATOM 2606 CA GLU A 168 -23.584 15.388 -7.176 1.00 11.94 C ATOM 2607 C GLU A 168 -23.268 16.797 -7.679 1.00 13.03 C ATOM 2608 O GLU A 168 -23.849 17.258 -8.663 1.00 13.73 O ATOM 2609 CB GLU A 168 -24.469 15.479 -5.931 1.00 11.38 C ATOM 2610 CG GLU A 168 -25.075 14.152 -5.502 1.00 10.85 C ATOM 2611 CD GLU A 168 -26.032 13.582 -6.532 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -26.657 14.376 -7.271 1.00 10.98 O ATOM 2613 OE2 GLU A 168 -26.154 12.340 -6.619 1.00 10.74 O ATOM 0 H GLU A 168 -22.333 14.258 -5.930 1.00 11.51 H new ATOM 0 HA GLU A 168 -24.112 14.856 -7.968 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -23.879 15.880 -5.107 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -25.274 16.189 -6.121 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -24.275 13.434 -5.320 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -25.603 14.287 -4.558 1.00 10.85 H new