USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= 0.163 K(o=-5.5,f=-7.8) USER MOD Set 1.2: A 37 MET CE :methyl -112:sc= -5.65! (180deg=-11!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.55! C(o=-4!,f=-2.5!) USER MOD Single : A 11 THR OG1 : rot 80:sc= 0.743 USER MOD Single : A 23 GLN : amide:sc= -0.0892 K(o=-0.089,f=-2.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0217 F(o=-0.74,f=-0.022) USER MOD Single : A 56 SER OG : rot -122:sc= 0.493 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.51) USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.138) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.2!) USER MOD Single : A 78 TYR OH : rot 40:sc= -2! USER MOD Single : A 79 SER OG : rot 170:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 0.593 (180deg=0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.063 -8.594 0.080 1.00 0.00 N ATOM 2 CA GLU A 7 8.002 -8.924 1.499 1.00 0.00 C ATOM 3 C GLU A 7 8.658 -10.274 1.773 1.00 0.00 C ATOM 4 O GLU A 7 9.360 -10.445 2.771 1.00 0.00 O ATOM 5 CB GLU A 7 6.549 -8.945 1.978 1.00 0.00 C ATOM 6 CG GLU A 7 5.686 -9.970 1.261 1.00 0.00 C ATOM 7 CD GLU A 7 4.233 -9.913 1.692 1.00 0.00 C ATOM 8 OE1 GLU A 7 3.636 -8.818 1.621 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.693 -10.962 2.100 1.00 0.00 O ATOM 0 HA GLU A 7 8.548 -8.156 2.048 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.531 -9.152 3.048 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.115 -7.955 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.749 -9.804 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.079 -10.968 1.453 1.00 0.00 H new ATOM 16 N LEU A 8 8.426 -11.230 0.880 1.00 0.00 N ATOM 17 CA LEU A 8 8.994 -12.566 1.025 1.00 0.00 C ATOM 18 C LEU A 8 10.466 -12.578 0.626 1.00 0.00 C ATOM 19 O LEU A 8 10.974 -11.609 0.062 1.00 0.00 O ATOM 20 CB LEU A 8 8.214 -13.568 0.171 1.00 0.00 C ATOM 21 CG LEU A 8 8.116 -13.245 -1.321 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.386 -13.667 -2.043 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.900 -13.924 -1.934 1.00 0.00 C ATOM 0 H LEU A 8 7.849 -11.105 0.048 1.00 0.00 H new ATOM 0 HA LEU A 8 8.919 -12.855 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.679 -14.548 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.204 -13.648 0.572 1.00 0.00 H new ATOM 0 HG LEU A 8 8.001 -12.167 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.298 -13.429 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.238 -13.134 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.533 -14.740 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.846 -13.683 -2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.985 -15.004 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.997 -13.572 -1.436 1.00 0.00 H new ATOM 35 N SER A 9 11.145 -13.681 0.923 1.00 0.00 N ATOM 36 CA SER A 9 12.560 -13.819 0.597 1.00 0.00 C ATOM 37 C SER A 9 12.753 -14.728 -0.613 1.00 0.00 C ATOM 38 O SER A 9 11.801 -15.328 -1.110 1.00 0.00 O ATOM 39 CB SER A 9 13.329 -14.376 1.796 1.00 0.00 C ATOM 40 OG SER A 9 13.719 -13.338 2.679 1.00 0.00 O ATOM 0 H SER A 9 10.738 -14.492 1.389 1.00 0.00 H new ATOM 0 HA SER A 9 12.949 -12.831 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.707 -15.096 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.212 -14.913 1.448 1.00 0.00 H new ATOM 0 HG SER A 9 14.207 -13.720 3.438 1.00 0.00 H new ATOM 46 N ASN A 10 13.993 -14.826 -1.080 1.00 0.00 N ATOM 47 CA ASN A 10 14.313 -15.661 -2.232 1.00 0.00 C ATOM 48 C ASN A 10 14.547 -17.107 -1.806 1.00 0.00 C ATOM 49 O ASN A 10 13.986 -18.037 -2.388 1.00 0.00 O ATOM 50 CB ASN A 10 15.551 -15.123 -2.951 1.00 0.00 C ATOM 51 CG ASN A 10 15.536 -15.429 -4.436 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.394 -16.350 -4.859 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.762 -14.843 -5.194 1.00 0.00 N flip ATOM 0 H ASN A 10 14.793 -14.337 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 10 13.465 -15.634 -2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.612 -14.044 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.445 -15.556 -2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.120 -14.142 -4.825 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.763 -15.059 -6.191 1.00 0.00 H new ATOM 60 N THR A 11 15.379 -17.291 -0.786 1.00 0.00 N ATOM 61 CA THR A 11 15.688 -18.623 -0.282 1.00 0.00 C ATOM 62 C THR A 11 15.590 -18.673 1.238 1.00 0.00 C ATOM 63 O THR A 11 16.564 -18.403 1.941 1.00 0.00 O ATOM 64 CB THR A 11 17.098 -19.072 -0.709 1.00 0.00 C ATOM 65 OG1 THR A 11 18.043 -18.027 -0.454 1.00 0.00 O ATOM 66 CG2 THR A 11 17.125 -19.438 -2.186 1.00 0.00 C ATOM 0 H THR A 11 15.851 -16.534 -0.292 1.00 0.00 H new ATOM 0 HA THR A 11 14.952 -19.302 -0.713 1.00 0.00 H new ATOM 0 HB THR A 11 17.366 -19.954 -0.127 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.282 -18.027 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.131 -19.752 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.426 -20.253 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.838 -18.571 -2.781 1.00 0.00 H new ATOM 74 N ARG A 12 14.409 -19.020 1.740 1.00 0.00 N ATOM 75 CA ARG A 12 14.184 -19.104 3.178 1.00 0.00 C ATOM 76 C ARG A 12 12.741 -19.495 3.481 1.00 0.00 C ATOM 77 O ARG A 12 11.804 -18.779 3.126 1.00 0.00 O ATOM 78 CB ARG A 12 14.512 -17.767 3.846 1.00 0.00 C ATOM 79 CG ARG A 12 15.334 -17.907 5.117 1.00 0.00 C ATOM 80 CD ARG A 12 15.653 -16.550 5.726 1.00 0.00 C ATOM 81 NE ARG A 12 15.922 -16.643 7.158 1.00 0.00 N ATOM 82 CZ ARG A 12 16.248 -15.600 7.913 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.346 -14.392 7.375 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.478 -15.764 9.210 1.00 0.00 N ATOM 0 H ARG A 12 13.593 -19.248 1.172 1.00 0.00 H new ATOM 0 HA ARG A 12 14.843 -19.874 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.056 -17.141 3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.582 -17.249 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.788 -18.512 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.262 -18.435 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.519 -16.121 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.817 -15.871 5.557 1.00 0.00 H new ATOM 0 HE ARG A 12 15.856 -17.559 7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.171 -14.262 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.597 -13.593 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.404 -16.692 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.728 -14.962 9.789 1.00 0.00 H new ATOM 98 N LEU A 13 12.569 -20.637 4.138 1.00 0.00 N ATOM 99 CA LEU A 13 11.240 -21.125 4.489 1.00 0.00 C ATOM 100 C LEU A 13 11.112 -21.321 5.996 1.00 0.00 C ATOM 101 O LEU A 13 11.887 -22.059 6.604 1.00 0.00 O ATOM 102 CB LEU A 13 10.951 -22.441 3.765 1.00 0.00 C ATOM 103 CG LEU A 13 11.776 -22.711 2.506 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.420 -24.065 1.914 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.562 -21.606 1.482 1.00 0.00 C ATOM 0 H LEU A 13 13.333 -21.242 4.438 1.00 0.00 H new ATOM 0 HA LEU A 13 10.511 -20.378 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.114 -23.261 4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.895 -22.459 3.494 1.00 0.00 H new ATOM 0 HG LEU A 13 12.830 -22.725 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.017 -24.239 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.625 -24.847 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.362 -24.081 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.157 -21.814 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.507 -21.560 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.869 -20.651 1.908 1.00 0.00 H new ATOM 117 N PHE A 14 10.127 -20.657 6.592 1.00 0.00 N ATOM 118 CA PHE A 14 9.896 -20.759 8.028 1.00 0.00 C ATOM 119 C PHE A 14 8.856 -21.832 8.337 1.00 0.00 C ATOM 120 O PHE A 14 7.724 -21.772 7.856 1.00 0.00 O ATOM 121 CB PHE A 14 9.438 -19.412 8.590 1.00 0.00 C ATOM 122 CG PHE A 14 8.552 -19.535 9.797 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.072 -19.944 11.015 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.201 -19.242 9.714 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.259 -20.059 12.127 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.383 -19.355 10.823 1.00 0.00 C ATOM 127 CZ PHE A 14 6.914 -19.763 12.031 1.00 0.00 C ATOM 0 H PHE A 14 9.476 -20.043 6.103 1.00 0.00 H new ATOM 0 HA PHE A 14 10.836 -21.042 8.502 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.315 -18.820 8.852 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.905 -18.865 7.812 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.124 -20.175 11.096 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.781 -18.921 8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.676 -20.380 13.070 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.331 -19.125 10.745 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.278 -19.850 12.899 1.00 0.00 H new ATOM 137 N VAL A 15 9.248 -22.814 9.143 1.00 0.00 N ATOM 138 CA VAL A 15 8.351 -23.901 9.517 1.00 0.00 C ATOM 139 C VAL A 15 7.806 -23.702 10.927 1.00 0.00 C ATOM 140 O VAL A 15 8.315 -22.882 11.691 1.00 0.00 O ATOM 141 CB VAL A 15 9.060 -25.266 9.440 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.046 -26.385 9.265 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.076 -25.274 8.308 1.00 0.00 C ATOM 0 H VAL A 15 10.181 -22.879 9.550 1.00 0.00 H new ATOM 0 HA VAL A 15 7.525 -23.889 8.806 1.00 0.00 H new ATOM 0 HB VAL A 15 9.592 -25.434 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.565 -27.342 9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.360 -26.390 10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.484 -26.226 8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.568 -26.246 8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.568 -25.085 7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.821 -24.497 8.482 1.00 0.00 H new ATOM 153 N ARG A 16 6.768 -24.460 11.266 1.00 0.00 N ATOM 154 CA ARG A 16 6.153 -24.367 12.584 1.00 0.00 C ATOM 155 C ARG A 16 7.014 -25.061 13.636 1.00 0.00 C ATOM 156 O ARG A 16 7.967 -25.773 13.321 1.00 0.00 O ATOM 157 CB ARG A 16 4.755 -24.988 12.563 1.00 0.00 C ATOM 158 CG ARG A 16 3.633 -23.963 12.527 1.00 0.00 C ATOM 159 CD ARG A 16 2.276 -24.614 12.743 1.00 0.00 C ATOM 160 NE ARG A 16 1.934 -24.709 14.160 1.00 0.00 N ATOM 161 CZ ARG A 16 1.586 -23.664 14.903 1.00 0.00 C ATOM 162 NH1 ARG A 16 1.534 -22.453 14.367 1.00 0.00 N ATOM 163 NH2 ARG A 16 1.288 -23.831 16.186 1.00 0.00 N ATOM 0 H ARG A 16 6.336 -25.145 10.646 1.00 0.00 H new ATOM 0 HA ARG A 16 6.071 -23.312 12.845 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.669 -25.639 11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.633 -25.617 13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.803 -23.209 13.296 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.641 -23.447 11.567 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.511 -24.038 12.223 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.278 -25.611 12.303 1.00 0.00 H new ATOM 0 HE ARG A 16 1.964 -25.627 14.603 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.761 -22.321 13.381 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.266 -21.653 14.940 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.326 -24.762 16.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.021 -23.029 16.756 1.00 0.00 H new ATOM 177 N PRO A 17 6.671 -24.849 14.915 1.00 0.00 N ATOM 178 CA PRO A 17 7.400 -25.445 16.039 1.00 0.00 C ATOM 179 C PRO A 17 7.191 -26.953 16.131 1.00 0.00 C ATOM 180 O PRO A 17 6.059 -27.429 16.209 1.00 0.00 O ATOM 181 CB PRO A 17 6.799 -24.747 17.262 1.00 0.00 C ATOM 182 CG PRO A 17 5.436 -24.331 16.829 1.00 0.00 C ATOM 183 CD PRO A 17 5.546 -24.011 15.363 1.00 0.00 C ATOM 0 HA PRO A 17 8.478 -25.312 15.942 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.754 -25.419 18.119 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.399 -23.888 17.562 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.712 -25.127 17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.095 -23.463 17.393 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.627 -24.253 14.829 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.742 -22.952 15.196 1.00 0.00 H new ATOM 191 N PHE A 18 8.290 -27.699 16.121 1.00 0.00 N ATOM 192 CA PHE A 18 8.228 -29.154 16.202 1.00 0.00 C ATOM 193 C PHE A 18 8.354 -29.624 17.648 1.00 0.00 C ATOM 194 O PHE A 18 8.850 -28.908 18.519 1.00 0.00 O ATOM 195 CB PHE A 18 9.334 -29.782 15.352 1.00 0.00 C ATOM 196 CG PHE A 18 9.177 -29.526 13.880 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.620 -28.338 13.319 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.587 -30.472 13.058 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.478 -28.099 11.965 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.443 -30.238 11.703 1.00 0.00 C ATOM 201 CZ PHE A 18 8.887 -29.050 11.156 1.00 0.00 C ATOM 0 H PHE A 18 9.235 -27.320 16.058 1.00 0.00 H new ATOM 0 HA PHE A 18 7.259 -29.473 15.817 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.298 -29.393 15.680 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.348 -30.858 15.526 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.081 -27.591 13.947 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.236 -31.402 13.480 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.829 -27.170 11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.983 -30.984 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.772 -28.865 10.098 1.00 0.00 H new ATOM 211 N PRO A 19 7.893 -30.855 17.912 1.00 0.00 N ATOM 212 CA PRO A 19 7.943 -31.449 19.252 1.00 0.00 C ATOM 213 C PRO A 19 9.366 -31.782 19.686 1.00 0.00 C ATOM 214 O PRO A 19 10.334 -31.259 19.131 1.00 0.00 O ATOM 215 CB PRO A 19 7.115 -32.728 19.104 1.00 0.00 C ATOM 216 CG PRO A 19 7.207 -33.073 17.657 1.00 0.00 C ATOM 217 CD PRO A 19 7.288 -31.763 16.923 1.00 0.00 C ATOM 0 HA PRO A 19 7.566 -30.767 20.014 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.510 -33.530 19.728 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.081 -32.567 19.408 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.085 -33.687 17.457 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.337 -33.647 17.337 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.899 -31.843 16.024 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.303 -31.417 16.609 1.00 0.00 H new ATOM 225 N LEU A 20 9.487 -32.655 20.680 1.00 0.00 N ATOM 226 CA LEU A 20 10.794 -33.059 21.188 1.00 0.00 C ATOM 227 C LEU A 20 11.699 -33.527 20.053 1.00 0.00 C ATOM 228 O LEU A 20 12.923 -33.536 20.185 1.00 0.00 O ATOM 229 CB LEU A 20 10.638 -34.174 22.224 1.00 0.00 C ATOM 230 CG LEU A 20 9.786 -35.371 21.798 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.662 -36.471 21.220 1.00 0.00 C ATOM 232 CD2 LEU A 20 8.977 -35.894 22.976 1.00 0.00 C ATOM 0 H LEU A 20 8.697 -33.097 21.150 1.00 0.00 H new ATOM 0 HA LEU A 20 11.256 -32.193 21.662 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.631 -34.537 22.491 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.202 -33.746 23.127 1.00 0.00 H new ATOM 0 HG LEU A 20 9.093 -35.043 21.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.038 -37.314 20.923 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.197 -36.091 20.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.379 -36.798 21.973 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.377 -36.745 22.656 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.653 -36.206 23.772 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.321 -35.106 23.345 1.00 0.00 H new ATOM 244 N ASP A 21 11.089 -33.913 18.938 1.00 0.00 N ATOM 245 CA ASP A 21 11.839 -34.379 17.777 1.00 0.00 C ATOM 246 C ASP A 21 12.217 -33.213 16.870 1.00 0.00 C ATOM 247 O ASP A 21 12.442 -33.391 15.673 1.00 0.00 O ATOM 248 CB ASP A 21 11.022 -35.407 16.994 1.00 0.00 C ATOM 249 CG ASP A 21 10.908 -36.733 17.720 1.00 0.00 C ATOM 250 OD1 ASP A 21 11.960 -37.315 18.061 1.00 0.00 O ATOM 251 OD2 ASP A 21 9.768 -37.188 17.949 1.00 0.00 O ATOM 0 H ASP A 21 10.077 -33.913 18.813 1.00 0.00 H new ATOM 0 HA ASP A 21 12.755 -34.850 18.133 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.024 -35.010 16.811 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.484 -35.568 16.020 1.00 0.00 H new ATOM 256 N VAL A 22 12.285 -32.018 17.448 1.00 0.00 N ATOM 257 CA VAL A 22 12.635 -30.821 16.692 1.00 0.00 C ATOM 258 C VAL A 22 14.140 -30.737 16.463 1.00 0.00 C ATOM 259 O VAL A 22 14.874 -30.195 17.290 1.00 0.00 O ATOM 260 CB VAL A 22 12.164 -29.544 17.413 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.665 -29.526 18.849 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.631 -28.306 16.661 1.00 0.00 C ATOM 0 H VAL A 22 12.102 -31.853 18.438 1.00 0.00 H new ATOM 0 HA VAL A 22 12.127 -30.894 15.730 1.00 0.00 H new ATOM 0 HB VAL A 22 11.074 -29.540 17.434 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.322 -28.616 19.342 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.278 -30.395 19.380 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.755 -29.553 18.855 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.290 -27.412 17.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.720 -28.302 16.608 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.218 -28.316 15.652 1.00 0.00 H new ATOM 272 N GLN A 23 14.593 -31.277 15.337 1.00 0.00 N ATOM 273 CA GLN A 23 16.012 -31.263 14.999 1.00 0.00 C ATOM 274 C GLN A 23 16.211 -31.180 13.490 1.00 0.00 C ATOM 275 O GLN A 23 15.247 -31.189 12.726 1.00 0.00 O ATOM 276 CB GLN A 23 16.700 -32.513 15.549 1.00 0.00 C ATOM 277 CG GLN A 23 16.026 -33.811 15.135 1.00 0.00 C ATOM 278 CD GLN A 23 16.469 -34.993 15.975 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.994 -35.977 15.455 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.258 -34.901 17.283 1.00 0.00 N ATOM 0 H GLN A 23 13.999 -31.730 14.643 1.00 0.00 H new ATOM 0 HA GLN A 23 16.460 -30.380 15.455 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.736 -32.527 15.209 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.722 -32.456 16.637 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.945 -33.697 15.217 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.247 -34.012 14.087 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.819 -34.066 17.671 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.535 -35.665 17.899 1.00 0.00 H new ATOM 289 N GLU A 24 17.470 -31.099 13.068 1.00 0.00 N ATOM 290 CA GLU A 24 17.795 -31.013 11.649 1.00 0.00 C ATOM 291 C GLU A 24 17.487 -32.328 10.940 1.00 0.00 C ATOM 292 O GLU A 24 17.284 -32.359 9.726 1.00 0.00 O ATOM 293 CB GLU A 24 19.270 -30.652 11.462 1.00 0.00 C ATOM 294 CG GLU A 24 20.219 -31.805 11.743 1.00 0.00 C ATOM 295 CD GLU A 24 21.661 -31.466 11.422 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.060 -30.303 11.641 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.391 -32.363 10.952 1.00 0.00 O ATOM 0 H GLU A 24 18.280 -31.091 13.688 1.00 0.00 H new ATOM 0 HA GLU A 24 17.179 -30.230 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.424 -30.307 10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.518 -29.820 12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.141 -32.087 12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.915 -32.672 11.157 1.00 0.00 H new ATOM 304 N SER A 25 17.456 -33.414 11.706 1.00 0.00 N ATOM 305 CA SER A 25 17.179 -34.734 11.151 1.00 0.00 C ATOM 306 C SER A 25 15.826 -34.753 10.446 1.00 0.00 C ATOM 307 O SER A 25 15.713 -35.214 9.311 1.00 0.00 O ATOM 308 CB SER A 25 17.205 -35.791 12.257 1.00 0.00 C ATOM 309 OG SER A 25 17.220 -37.099 11.712 1.00 0.00 O ATOM 0 H SER A 25 17.619 -33.406 12.713 1.00 0.00 H new ATOM 0 HA SER A 25 17.954 -34.964 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.085 -35.645 12.884 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.333 -35.671 12.899 1.00 0.00 H new ATOM 0 HG SER A 25 17.238 -37.756 12.439 1.00 0.00 H new ATOM 315 N GLU A 26 14.803 -34.248 11.129 1.00 0.00 N ATOM 316 CA GLU A 26 13.457 -34.208 10.569 1.00 0.00 C ATOM 317 C GLU A 26 13.364 -33.176 9.449 1.00 0.00 C ATOM 318 O GLU A 26 12.719 -33.410 8.426 1.00 0.00 O ATOM 319 CB GLU A 26 12.435 -33.885 11.661 1.00 0.00 C ATOM 320 CG GLU A 26 12.844 -32.724 12.552 1.00 0.00 C ATOM 321 CD GLU A 26 11.673 -32.132 13.312 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.776 -32.901 13.715 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.654 -30.898 13.504 1.00 0.00 O ATOM 0 H GLU A 26 14.881 -33.861 12.070 1.00 0.00 H new ATOM 0 HA GLU A 26 13.235 -35.191 10.153 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.477 -33.654 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.283 -34.770 12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.599 -33.064 13.261 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.306 -31.948 11.942 1.00 0.00 H new ATOM 330 N LEU A 27 14.013 -32.034 9.650 1.00 0.00 N ATOM 331 CA LEU A 27 14.004 -30.965 8.657 1.00 0.00 C ATOM 332 C LEU A 27 14.637 -31.430 7.350 1.00 0.00 C ATOM 333 O LEU A 27 14.124 -31.152 6.267 1.00 0.00 O ATOM 334 CB LEU A 27 14.750 -29.741 9.192 1.00 0.00 C ATOM 335 CG LEU A 27 14.158 -29.086 10.440 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.350 -27.578 10.394 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.683 -29.434 10.576 1.00 0.00 C ATOM 0 H LEU A 27 14.552 -31.825 10.491 1.00 0.00 H new ATOM 0 HA LEU A 27 12.967 -30.694 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.777 -30.034 9.412 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.795 -28.993 8.400 1.00 0.00 H new ATOM 0 HG LEU A 27 14.684 -29.472 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.922 -27.129 11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.414 -27.348 10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.851 -27.174 9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.278 -28.959 11.470 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.143 -29.077 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.570 -30.515 10.657 1.00 0.00 H new ATOM 349 N ASN A 28 15.755 -32.141 7.460 1.00 0.00 N ATOM 350 CA ASN A 28 16.457 -32.647 6.286 1.00 0.00 C ATOM 351 C ASN A 28 15.731 -33.850 5.693 1.00 0.00 C ATOM 352 O ASN A 28 15.732 -34.052 4.480 1.00 0.00 O ATOM 353 CB ASN A 28 17.892 -33.032 6.651 1.00 0.00 C ATOM 354 CG ASN A 28 18.844 -31.853 6.580 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.222 -31.411 5.495 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.234 -31.337 7.740 1.00 0.00 N ATOM 0 H ASN A 28 16.194 -32.379 8.349 1.00 0.00 H new ATOM 0 HA ASN A 28 16.479 -31.855 5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.908 -33.448 7.658 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.238 -33.815 5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.873 -30.542 7.755 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.895 -31.736 8.615 1.00 0.00 H new ATOM 363 N GLU A 29 15.111 -34.646 6.560 1.00 0.00 N ATOM 364 CA GLU A 29 14.381 -35.829 6.121 1.00 0.00 C ATOM 365 C GLU A 29 13.052 -35.442 5.478 1.00 0.00 C ATOM 366 O GLU A 29 12.467 -36.219 4.723 1.00 0.00 O ATOM 367 CB GLU A 29 14.132 -36.769 7.303 1.00 0.00 C ATOM 368 CG GLU A 29 15.288 -37.714 7.583 1.00 0.00 C ATOM 369 CD GLU A 29 14.825 -39.113 7.938 1.00 0.00 C ATOM 370 OE1 GLU A 29 13.697 -39.250 8.457 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.589 -40.071 7.699 1.00 0.00 O ATOM 0 H GLU A 29 15.100 -34.493 7.568 1.00 0.00 H new ATOM 0 HA GLU A 29 14.989 -36.344 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.936 -36.174 8.195 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.234 -37.355 7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.934 -37.761 6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.888 -37.315 8.401 1.00 0.00 H new ATOM 378 N ILE A 30 12.584 -34.236 5.782 1.00 0.00 N ATOM 379 CA ILE A 30 11.326 -33.745 5.233 1.00 0.00 C ATOM 380 C ILE A 30 11.568 -32.829 4.038 1.00 0.00 C ATOM 381 O ILE A 30 10.907 -32.949 3.006 1.00 0.00 O ATOM 382 CB ILE A 30 10.508 -32.984 6.293 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.079 -33.931 7.415 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.294 -32.327 5.653 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.784 -33.226 8.721 1.00 0.00 C ATOM 0 H ILE A 30 13.057 -33.581 6.405 1.00 0.00 H new ATOM 0 HA ILE A 30 10.761 -34.619 4.909 1.00 0.00 H new ATOM 0 HB ILE A 30 11.135 -32.203 6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.191 -34.478 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.866 -34.667 7.579 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.726 -31.793 6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.622 -31.625 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.663 -33.092 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.486 -33.959 9.471 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.677 -32.701 9.061 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.976 -32.509 8.573 1.00 0.00 H new ATOM 397 N PHE A 31 12.520 -31.914 4.185 1.00 0.00 N ATOM 398 CA PHE A 31 12.851 -30.977 3.117 1.00 0.00 C ATOM 399 C PHE A 31 13.928 -31.553 2.203 1.00 0.00 C ATOM 400 O PHE A 31 14.316 -30.931 1.215 1.00 0.00 O ATOM 401 CB PHE A 31 13.323 -29.646 3.706 1.00 0.00 C ATOM 402 CG PHE A 31 12.235 -28.877 4.398 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.671 -29.351 5.572 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.775 -27.679 3.875 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.669 -28.645 6.210 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.773 -26.968 4.509 1.00 0.00 C ATOM 407 CZ PHE A 31 10.220 -27.451 5.678 1.00 0.00 C ATOM 0 H PHE A 31 13.076 -31.801 5.033 1.00 0.00 H new ATOM 0 HA PHE A 31 11.952 -30.806 2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.129 -29.837 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.739 -29.032 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.019 -30.283 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.204 -27.296 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.237 -29.026 7.124 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.423 -26.036 4.090 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.438 -26.897 6.176 1.00 0.00 H new ATOM 417 N GLY A 32 14.407 -32.746 2.541 1.00 0.00 N ATOM 418 CA GLY A 32 15.436 -33.386 1.741 1.00 0.00 C ATOM 419 C GLY A 32 15.027 -33.545 0.290 1.00 0.00 C ATOM 420 O GLY A 32 15.679 -33.033 -0.620 1.00 0.00 O ATOM 0 H GLY A 32 14.101 -33.281 3.354 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.352 -32.798 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.662 -34.366 2.161 1.00 0.00 H new ATOM 424 N PRO A 33 13.923 -34.271 0.059 1.00 0.00 N ATOM 425 CA PRO A 33 13.404 -34.514 -1.291 1.00 0.00 C ATOM 426 C PRO A 33 12.827 -33.254 -1.925 1.00 0.00 C ATOM 427 O PRO A 33 11.650 -33.212 -2.285 1.00 0.00 O ATOM 428 CB PRO A 33 12.303 -35.553 -1.065 1.00 0.00 C ATOM 429 CG PRO A 33 11.869 -35.345 0.345 1.00 0.00 C ATOM 430 CD PRO A 33 13.097 -34.911 1.096 1.00 0.00 C ATOM 0 HA PRO A 33 14.185 -34.843 -1.976 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.475 -35.410 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.676 -36.565 -1.219 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.087 -34.588 0.405 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.458 -36.262 0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.852 -34.217 1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.610 -35.758 1.552 1.00 0.00 H new ATOM 438 N PHE A 34 13.661 -32.229 -2.060 1.00 0.00 N ATOM 439 CA PHE A 34 13.233 -30.967 -2.651 1.00 0.00 C ATOM 440 C PHE A 34 14.386 -30.293 -3.390 1.00 0.00 C ATOM 441 O PHE A 34 14.207 -29.751 -4.480 1.00 0.00 O ATOM 442 CB PHE A 34 12.689 -30.031 -1.569 1.00 0.00 C ATOM 443 CG PHE A 34 11.282 -30.352 -1.151 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.329 -30.705 -2.093 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.913 -30.300 0.183 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.034 -31.001 -1.711 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.620 -30.595 0.571 1.00 0.00 C ATOM 448 CZ PHE A 34 8.679 -30.945 -0.378 1.00 0.00 C ATOM 0 H PHE A 34 14.638 -32.248 -1.768 1.00 0.00 H new ATOM 0 HA PHE A 34 12.441 -31.181 -3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.339 -30.081 -0.696 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.726 -29.005 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.601 -30.749 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.644 -30.026 0.929 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.301 -31.276 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.345 -30.552 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.667 -31.174 -0.078 1.00 0.00 H new ATOM 458 N GLY A 35 15.570 -30.330 -2.786 1.00 0.00 N ATOM 459 CA GLY A 35 16.735 -29.719 -3.399 1.00 0.00 C ATOM 460 C GLY A 35 17.882 -29.551 -2.423 1.00 0.00 C ATOM 461 O GLY A 35 17.763 -29.846 -1.234 1.00 0.00 O ATOM 0 H GLY A 35 15.743 -30.772 -1.883 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.063 -30.332 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.460 -28.745 -3.803 1.00 0.00 H new ATOM 465 N PRO A 36 19.027 -29.067 -2.928 1.00 0.00 N ATOM 466 CA PRO A 36 20.224 -28.851 -2.110 1.00 0.00 C ATOM 467 C PRO A 36 20.054 -27.696 -1.128 1.00 0.00 C ATOM 468 O PRO A 36 20.156 -26.529 -1.505 1.00 0.00 O ATOM 469 CB PRO A 36 21.305 -28.521 -3.142 1.00 0.00 C ATOM 470 CG PRO A 36 20.559 -27.970 -4.308 1.00 0.00 C ATOM 471 CD PRO A 36 19.241 -28.694 -4.336 1.00 0.00 C ATOM 0 HA PRO A 36 20.457 -29.718 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.019 -27.796 -2.750 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.873 -29.409 -3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.412 -26.895 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.111 -28.128 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.440 -28.056 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.278 -29.571 -4.983 1.00 0.00 H new ATOM 479 N MET A 37 19.796 -28.030 0.132 1.00 0.00 N ATOM 480 CA MET A 37 19.614 -27.019 1.167 1.00 0.00 C ATOM 481 C MET A 37 20.932 -26.319 1.481 1.00 0.00 C ATOM 482 O MET A 37 21.933 -26.967 1.788 1.00 0.00 O ATOM 483 CB MET A 37 19.046 -27.656 2.437 1.00 0.00 C ATOM 484 CG MET A 37 17.773 -28.453 2.201 1.00 0.00 C ATOM 485 SD MET A 37 17.734 -29.994 3.136 1.00 0.00 S ATOM 486 CE MET A 37 16.962 -29.448 4.657 1.00 0.00 C ATOM 0 H MET A 37 19.708 -28.992 0.461 1.00 0.00 H new ATOM 0 HA MET A 37 18.909 -26.276 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.800 -28.312 2.873 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.844 -26.873 3.167 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.912 -27.844 2.476 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.680 -28.675 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.686 -29.496 5.470 1.00 0.00 H new ATOM 0 HE2 MET A 37 16.614 -28.422 4.540 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.115 -30.094 4.887 1.00 0.00 H new ATOM 496 N LYS A 38 20.926 -24.993 1.402 1.00 0.00 N ATOM 497 CA LYS A 38 22.120 -24.204 1.679 1.00 0.00 C ATOM 498 C LYS A 38 22.307 -24.006 3.180 1.00 0.00 C ATOM 499 O LYS A 38 23.431 -23.869 3.662 1.00 0.00 O ATOM 500 CB LYS A 38 22.031 -22.844 0.982 1.00 0.00 C ATOM 501 CG LYS A 38 23.092 -22.637 -0.085 1.00 0.00 C ATOM 502 CD LYS A 38 24.250 -21.801 0.435 1.00 0.00 C ATOM 503 CE LYS A 38 24.016 -20.316 0.198 1.00 0.00 C ATOM 504 NZ LYS A 38 24.941 -19.473 1.005 1.00 0.00 N ATOM 0 H LYS A 38 20.106 -24.442 1.148 1.00 0.00 H new ATOM 0 HA LYS A 38 22.982 -24.748 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.046 -22.742 0.527 1.00 0.00 H new ATOM 0 HB3 LYS A 38 22.120 -22.056 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.463 -23.605 -0.423 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.648 -22.146 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.382 -21.984 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 38 25.172 -22.108 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.150 -20.092 -0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 38 22.985 -20.066 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.750 -18.468 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.796 -19.668 2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.924 -19.693 0.748 1.00 0.00 H new ATOM 518 N GLU A 39 21.198 -23.995 3.913 1.00 0.00 N ATOM 519 CA GLU A 39 21.241 -23.815 5.359 1.00 0.00 C ATOM 520 C GLU A 39 19.966 -24.343 6.012 1.00 0.00 C ATOM 521 O GLU A 39 18.916 -24.420 5.374 1.00 0.00 O ATOM 522 CB GLU A 39 21.430 -22.337 5.707 1.00 0.00 C ATOM 523 CG GLU A 39 22.533 -22.087 6.721 1.00 0.00 C ATOM 524 CD GLU A 39 23.199 -20.737 6.538 1.00 0.00 C ATOM 525 OE1 GLU A 39 22.737 -19.959 5.678 1.00 0.00 O ATOM 526 OE2 GLU A 39 24.183 -20.459 7.255 1.00 0.00 O ATOM 0 H GLU A 39 20.260 -24.109 3.529 1.00 0.00 H new ATOM 0 HA GLU A 39 22.088 -24.383 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.654 -21.783 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.492 -21.942 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.118 -22.150 7.727 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.284 -22.873 6.637 1.00 0.00 H new ATOM 533 N VAL A 40 20.067 -24.705 7.286 1.00 0.00 N ATOM 534 CA VAL A 40 18.923 -25.225 8.026 1.00 0.00 C ATOM 535 C VAL A 40 19.006 -24.851 9.502 1.00 0.00 C ATOM 536 O VAL A 40 19.979 -25.177 10.183 1.00 0.00 O ATOM 537 CB VAL A 40 18.823 -26.757 7.901 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.140 -27.144 6.598 1.00 0.00 C ATOM 539 CG2 VAL A 40 20.203 -27.390 7.998 1.00 0.00 C ATOM 0 H VAL A 40 20.929 -24.648 7.828 1.00 0.00 H new ATOM 0 HA VAL A 40 18.032 -24.773 7.589 1.00 0.00 H new ATOM 0 HB VAL A 40 18.217 -27.133 8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.079 -28.230 6.528 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.135 -26.722 6.574 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.716 -26.758 5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 40 20.114 -28.473 7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.835 -27.010 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.650 -27.142 8.960 1.00 0.00 H new ATOM 549 N LYS A 41 17.980 -24.163 9.991 1.00 0.00 N ATOM 550 CA LYS A 41 17.934 -23.745 11.387 1.00 0.00 C ATOM 551 C LYS A 41 16.748 -24.378 12.106 1.00 0.00 C ATOM 552 O LYS A 41 15.620 -24.344 11.613 1.00 0.00 O ATOM 553 CB LYS A 41 17.846 -22.220 11.481 1.00 0.00 C ATOM 554 CG LYS A 41 18.615 -21.498 10.387 1.00 0.00 C ATOM 555 CD LYS A 41 20.099 -21.815 10.447 1.00 0.00 C ATOM 556 CE LYS A 41 20.731 -21.292 11.727 1.00 0.00 C ATOM 557 NZ LYS A 41 21.737 -20.228 11.455 1.00 0.00 N ATOM 0 H LYS A 41 17.168 -23.883 9.440 1.00 0.00 H new ATOM 0 HA LYS A 41 18.851 -24.081 11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.799 -21.921 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.226 -21.902 12.452 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.220 -21.785 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.467 -20.423 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.244 -22.893 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.601 -21.374 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.953 -20.898 12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.208 -22.115 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.145 -19.898 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 22.493 -20.611 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.277 -19.431 10.970 1.00 0.00 H new ATOM 571 N ILE A 42 17.010 -24.955 13.275 1.00 0.00 N ATOM 572 CA ILE A 42 15.962 -25.593 14.062 1.00 0.00 C ATOM 573 C ILE A 42 16.027 -25.154 15.521 1.00 0.00 C ATOM 574 O ILE A 42 16.948 -25.523 16.252 1.00 0.00 O ATOM 575 CB ILE A 42 16.064 -27.128 13.995 1.00 0.00 C ATOM 576 CG1 ILE A 42 16.561 -27.568 12.616 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.716 -27.762 14.305 1.00 0.00 C ATOM 578 CD1 ILE A 42 18.051 -27.822 12.564 1.00 0.00 C ATOM 0 H ILE A 42 17.938 -24.993 13.697 1.00 0.00 H new ATOM 0 HA ILE A 42 15.010 -25.281 13.633 1.00 0.00 H new ATOM 0 HB ILE A 42 16.782 -27.463 14.743 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.035 -28.476 12.322 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.306 -26.801 11.885 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.804 -28.847 14.254 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.398 -27.471 15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 42 13.979 -27.423 13.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.333 -28.130 11.557 1.00 0.00 H new ATOM 0 HD12 ILE A 42 18.585 -26.909 12.827 1.00 0.00 H new ATOM 0 HD13 ILE A 42 18.311 -28.610 13.271 1.00 0.00 H new ATOM 590 N LEU A 43 15.043 -24.366 15.941 1.00 0.00 N ATOM 591 CA LEU A 43 14.986 -23.878 17.314 1.00 0.00 C ATOM 592 C LEU A 43 13.668 -24.265 17.976 1.00 0.00 C ATOM 593 O LEU A 43 12.635 -24.361 17.314 1.00 0.00 O ATOM 594 CB LEU A 43 15.158 -22.358 17.343 1.00 0.00 C ATOM 595 CG LEU A 43 16.292 -21.794 16.487 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.933 -20.409 15.971 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.589 -21.749 17.282 1.00 0.00 C ATOM 0 H LEU A 43 14.274 -24.051 15.350 1.00 0.00 H new ATOM 0 HA LEU A 43 15.800 -24.341 17.872 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.223 -21.901 17.019 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.322 -22.051 18.376 1.00 0.00 H new ATOM 0 HG LEU A 43 16.437 -22.452 15.630 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.752 -20.023 15.364 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.029 -20.470 15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.760 -19.740 16.814 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.385 -21.345 16.657 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.457 -21.113 18.158 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.855 -22.757 17.602 1.00 0.00 H new ATOM 609 N ASN A 44 13.711 -24.485 19.286 1.00 0.00 N ATOM 610 CA ASN A 44 12.519 -24.861 20.037 1.00 0.00 C ATOM 611 C ASN A 44 11.478 -23.746 19.999 1.00 0.00 C ATOM 612 O ASN A 44 11.494 -22.839 20.830 1.00 0.00 O ATOM 613 CB ASN A 44 12.885 -25.181 21.488 1.00 0.00 C ATOM 614 CG ASN A 44 12.008 -26.268 22.079 1.00 0.00 C ATOM 615 OD1 ASN A 44 12.180 -27.494 21.597 1.00 0.00 O flip ATOM 616 ND2 ASN A 44 11.187 -26.009 22.958 1.00 0.00 N flip ATOM 0 H ASN A 44 14.558 -24.409 19.849 1.00 0.00 H new ATOM 0 HA ASN A 44 12.092 -25.749 19.572 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.928 -25.493 21.536 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.795 -24.277 22.091 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.089 -25.052 23.298 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.605 -26.751 23.346 1.00 0.00 H new ATOM 623 N GLY A 45 10.573 -23.822 19.027 1.00 0.00 N ATOM 624 CA GLY A 45 9.537 -22.814 18.898 1.00 0.00 C ATOM 625 C GLY A 45 9.321 -22.385 17.461 1.00 0.00 C ATOM 626 O GLY A 45 8.269 -21.845 17.118 1.00 0.00 O ATOM 0 H GLY A 45 10.539 -24.563 18.327 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.603 -23.204 19.302 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.805 -21.944 19.497 1.00 0.00 H new ATOM 630 N PHE A 46 10.319 -22.625 16.617 1.00 0.00 N ATOM 631 CA PHE A 46 10.234 -22.258 15.208 1.00 0.00 C ATOM 632 C PHE A 46 11.362 -22.904 14.409 1.00 0.00 C ATOM 633 O PHE A 46 12.456 -23.126 14.926 1.00 0.00 O ATOM 634 CB PHE A 46 10.290 -20.737 15.052 1.00 0.00 C ATOM 635 CG PHE A 46 10.966 -20.040 16.199 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.294 -20.296 16.496 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.271 -19.131 16.980 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.919 -19.657 17.551 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.890 -18.488 18.035 1.00 0.00 C ATOM 640 CZ PHE A 46 12.215 -18.752 18.322 1.00 0.00 C ATOM 0 H PHE A 46 11.196 -23.072 16.884 1.00 0.00 H new ATOM 0 HA PHE A 46 9.283 -22.622 14.820 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.816 -20.494 14.129 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.275 -20.353 14.951 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.848 -21.003 15.897 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.234 -18.923 16.762 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.956 -19.865 17.772 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.338 -17.779 18.635 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.700 -18.252 19.147 1.00 0.00 H new ATOM 650 N ALA A 47 11.085 -23.205 13.144 1.00 0.00 N ATOM 651 CA ALA A 47 12.075 -23.825 12.272 1.00 0.00 C ATOM 652 C ALA A 47 12.321 -22.976 11.030 1.00 0.00 C ATOM 653 O ALA A 47 11.463 -22.192 10.622 1.00 0.00 O ATOM 654 CB ALA A 47 11.629 -25.225 11.877 1.00 0.00 C ATOM 0 H ALA A 47 10.183 -23.029 12.701 1.00 0.00 H new ATOM 0 HA ALA A 47 13.013 -23.897 12.823 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.378 -25.675 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.512 -25.836 12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.677 -25.168 11.349 1.00 0.00 H new ATOM 660 N PHE A 48 13.497 -23.136 10.432 1.00 0.00 N ATOM 661 CA PHE A 48 13.856 -22.383 9.236 1.00 0.00 C ATOM 662 C PHE A 48 14.718 -23.225 8.301 1.00 0.00 C ATOM 663 O PHE A 48 15.548 -24.017 8.747 1.00 0.00 O ATOM 664 CB PHE A 48 14.600 -21.102 9.619 1.00 0.00 C ATOM 665 CG PHE A 48 13.938 -20.331 10.725 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.873 -19.486 10.457 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.380 -20.451 12.032 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.261 -18.776 11.472 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.772 -19.744 13.052 1.00 0.00 C ATOM 670 CZ PHE A 48 12.712 -18.904 12.771 1.00 0.00 C ATOM 0 H PHE A 48 14.218 -23.781 10.756 1.00 0.00 H new ATOM 0 HA PHE A 48 12.937 -22.119 8.714 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.615 -21.358 9.923 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.682 -20.463 8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.517 -19.381 9.443 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.210 -21.105 12.257 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.431 -18.122 11.250 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.125 -19.848 14.067 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.237 -18.348 13.566 1.00 0.00 H new ATOM 680 N VAL A 49 14.514 -23.050 6.999 1.00 0.00 N ATOM 681 CA VAL A 49 15.271 -23.793 5.999 1.00 0.00 C ATOM 682 C VAL A 49 15.561 -22.930 4.776 1.00 0.00 C ATOM 683 O VAL A 49 14.643 -22.468 4.100 1.00 0.00 O ATOM 684 CB VAL A 49 14.520 -25.061 5.553 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.131 -24.707 5.043 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.314 -25.804 4.490 1.00 0.00 C ATOM 0 H VAL A 49 13.830 -22.400 6.612 1.00 0.00 H new ATOM 0 HA VAL A 49 16.212 -24.083 6.466 1.00 0.00 H new ATOM 0 HB VAL A 49 14.408 -25.718 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.615 -25.615 4.732 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.564 -24.222 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.217 -24.030 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.768 -26.697 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.459 -25.156 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.284 -26.092 4.895 1.00 0.00 H new ATOM 696 N GLU A 50 16.843 -22.718 4.498 1.00 0.00 N ATOM 697 CA GLU A 50 17.253 -21.910 3.355 1.00 0.00 C ATOM 698 C GLU A 50 17.834 -22.787 2.249 1.00 0.00 C ATOM 699 O GLU A 50 18.906 -23.372 2.404 1.00 0.00 O ATOM 700 CB GLU A 50 18.284 -20.864 3.786 1.00 0.00 C ATOM 701 CG GLU A 50 18.878 -20.082 2.626 1.00 0.00 C ATOM 702 CD GLU A 50 19.258 -18.666 3.012 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.474 -18.415 4.216 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.339 -17.807 2.108 1.00 0.00 O ATOM 0 H GLU A 50 17.615 -23.094 5.048 1.00 0.00 H new ATOM 0 HA GLU A 50 16.371 -21.402 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.814 -20.167 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.088 -21.361 4.328 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.761 -20.603 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.159 -20.051 1.807 1.00 0.00 H new ATOM 711 N PHE A 51 17.117 -22.873 1.133 1.00 0.00 N ATOM 712 CA PHE A 51 17.559 -23.679 0.001 1.00 0.00 C ATOM 713 C PHE A 51 18.548 -22.904 -0.865 1.00 0.00 C ATOM 714 O PHE A 51 18.467 -21.681 -0.975 1.00 0.00 O ATOM 715 CB PHE A 51 16.358 -24.114 -0.841 1.00 0.00 C ATOM 716 CG PHE A 51 15.680 -25.350 -0.325 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.236 -26.602 -0.537 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.486 -25.261 0.373 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.614 -27.741 -0.062 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.860 -26.398 0.850 1.00 0.00 C ATOM 721 CZ PHE A 51 14.424 -27.639 0.631 1.00 0.00 C ATOM 0 H PHE A 51 16.228 -22.395 0.989 1.00 0.00 H new ATOM 0 HA PHE A 51 18.061 -24.565 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.634 -23.300 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.687 -24.291 -1.865 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.166 -26.688 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.040 -24.293 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.058 -28.710 -0.233 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.930 -26.315 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.935 -28.528 1.001 1.00 0.00 H new ATOM 731 N GLU A 52 19.482 -23.626 -1.476 1.00 0.00 N ATOM 732 CA GLU A 52 20.488 -23.007 -2.331 1.00 0.00 C ATOM 733 C GLU A 52 19.871 -22.539 -3.646 1.00 0.00 C ATOM 734 O GLU A 52 20.542 -21.922 -4.472 1.00 0.00 O ATOM 735 CB GLU A 52 21.627 -23.989 -2.610 1.00 0.00 C ATOM 736 CG GLU A 52 21.601 -24.567 -4.016 1.00 0.00 C ATOM 737 CD GLU A 52 22.606 -25.686 -4.205 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.334 -26.000 -3.240 1.00 0.00 O ATOM 739 OE2 GLU A 52 22.665 -26.249 -5.318 1.00 0.00 O ATOM 0 H GLU A 52 19.563 -24.640 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 52 20.888 -22.138 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 52 22.579 -23.483 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.577 -24.805 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.601 -24.942 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.807 -23.774 -4.735 1.00 0.00 H new ATOM 746 N GLU A 53 18.589 -22.838 -3.831 1.00 0.00 N ATOM 747 CA GLU A 53 17.882 -22.449 -5.046 1.00 0.00 C ATOM 748 C GLU A 53 16.480 -21.941 -4.720 1.00 0.00 C ATOM 749 O GLU A 53 15.687 -22.638 -4.088 1.00 0.00 O ATOM 750 CB GLU A 53 17.796 -23.631 -6.013 1.00 0.00 C ATOM 751 CG GLU A 53 19.007 -23.763 -6.922 1.00 0.00 C ATOM 752 CD GLU A 53 18.823 -24.826 -7.988 1.00 0.00 C ATOM 753 OE1 GLU A 53 17.849 -25.602 -7.889 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.652 -24.882 -8.919 1.00 0.00 O ATOM 0 H GLU A 53 18.019 -23.348 -3.156 1.00 0.00 H new ATOM 0 HA GLU A 53 18.442 -21.642 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.680 -24.551 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.902 -23.523 -6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.204 -22.804 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.883 -24.005 -6.321 1.00 0.00 H new ATOM 761 N ALA A 54 16.183 -20.721 -5.157 1.00 0.00 N ATOM 762 CA ALA A 54 14.878 -20.120 -4.914 1.00 0.00 C ATOM 763 C ALA A 54 13.754 -21.064 -5.327 1.00 0.00 C ATOM 764 O ALA A 54 12.704 -21.110 -4.686 1.00 0.00 O ATOM 765 CB ALA A 54 14.760 -18.798 -5.658 1.00 0.00 C ATOM 0 H ALA A 54 16.829 -20.130 -5.681 1.00 0.00 H new ATOM 0 HA ALA A 54 14.785 -19.932 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.780 -18.360 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.536 -18.115 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.879 -18.971 -6.728 1.00 0.00 H new ATOM 771 N GLU A 55 13.980 -21.813 -6.401 1.00 0.00 N ATOM 772 CA GLU A 55 12.984 -22.754 -6.899 1.00 0.00 C ATOM 773 C GLU A 55 12.666 -23.816 -5.850 1.00 0.00 C ATOM 774 O GLU A 55 11.506 -24.033 -5.503 1.00 0.00 O ATOM 775 CB GLU A 55 13.478 -23.422 -8.184 1.00 0.00 C ATOM 776 CG GLU A 55 12.452 -24.340 -8.827 1.00 0.00 C ATOM 777 CD GLU A 55 12.666 -24.500 -10.319 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.748 -24.983 -10.716 1.00 0.00 O ATOM 779 OE2 GLU A 55 11.752 -24.142 -11.091 1.00 0.00 O ATOM 0 H GLU A 55 14.844 -21.787 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 55 12.072 -22.197 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.761 -22.650 -8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.378 -23.996 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.497 -25.319 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.453 -23.944 -8.648 1.00 0.00 H new ATOM 786 N SER A 56 13.707 -24.474 -5.350 1.00 0.00 N ATOM 787 CA SER A 56 13.540 -25.517 -4.344 1.00 0.00 C ATOM 788 C SER A 56 12.796 -24.981 -3.125 1.00 0.00 C ATOM 789 O SER A 56 11.936 -25.658 -2.561 1.00 0.00 O ATOM 790 CB SER A 56 14.902 -26.070 -3.921 1.00 0.00 C ATOM 791 OG SER A 56 14.762 -27.310 -3.248 1.00 0.00 O ATOM 0 H SER A 56 14.674 -24.304 -5.625 1.00 0.00 H new ATOM 0 HA SER A 56 12.950 -26.321 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.535 -26.199 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.403 -25.354 -3.270 1.00 0.00 H new ATOM 0 HG SER A 56 15.154 -27.242 -2.352 1.00 0.00 H new ATOM 797 N ALA A 57 13.133 -23.760 -2.723 1.00 0.00 N ATOM 798 CA ALA A 57 12.497 -23.131 -1.572 1.00 0.00 C ATOM 799 C ALA A 57 11.031 -22.819 -1.858 1.00 0.00 C ATOM 800 O ALA A 57 10.143 -23.228 -1.111 1.00 0.00 O ATOM 801 CB ALA A 57 13.242 -21.862 -1.185 1.00 0.00 C ATOM 0 H ALA A 57 13.843 -23.186 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 57 12.537 -23.832 -0.738 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.756 -21.403 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.273 -22.108 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.232 -21.164 -2.022 1.00 0.00 H new ATOM 807 N ALA A 58 10.787 -22.091 -2.943 1.00 0.00 N ATOM 808 CA ALA A 58 9.429 -21.725 -3.327 1.00 0.00 C ATOM 809 C ALA A 58 8.539 -22.959 -3.438 1.00 0.00 C ATOM 810 O ALA A 58 7.336 -22.894 -3.184 1.00 0.00 O ATOM 811 CB ALA A 58 9.441 -20.961 -4.642 1.00 0.00 C ATOM 0 H ALA A 58 11.512 -21.743 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 58 9.018 -21.081 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.421 -20.694 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.036 -20.054 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.875 -21.586 -5.422 1.00 0.00 H new ATOM 817 N LYS A 59 9.137 -24.082 -3.819 1.00 0.00 N ATOM 818 CA LYS A 59 8.400 -25.331 -3.963 1.00 0.00 C ATOM 819 C LYS A 59 8.103 -25.949 -2.600 1.00 0.00 C ATOM 820 O LYS A 59 6.957 -26.274 -2.292 1.00 0.00 O ATOM 821 CB LYS A 59 9.193 -26.320 -4.821 1.00 0.00 C ATOM 822 CG LYS A 59 9.011 -26.111 -6.315 1.00 0.00 C ATOM 823 CD LYS A 59 7.794 -26.856 -6.837 1.00 0.00 C ATOM 824 CE LYS A 59 7.778 -26.901 -8.358 1.00 0.00 C ATOM 825 NZ LYS A 59 7.103 -25.708 -8.941 1.00 0.00 N ATOM 0 H LYS A 59 10.132 -24.153 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 59 7.453 -25.109 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.252 -26.233 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.889 -27.335 -4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.905 -25.047 -6.524 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.902 -26.452 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.791 -27.872 -6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.887 -26.371 -6.477 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.801 -26.958 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.267 -27.805 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.113 -25.776 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.119 -25.667 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.605 -24.846 -8.646 1.00 0.00 H new ATOM 839 N ALA A 60 9.144 -26.107 -1.789 1.00 0.00 N ATOM 840 CA ALA A 60 8.994 -26.682 -0.458 1.00 0.00 C ATOM 841 C ALA A 60 7.950 -25.922 0.354 1.00 0.00 C ATOM 842 O ALA A 60 7.247 -26.506 1.180 1.00 0.00 O ATOM 843 CB ALA A 60 10.330 -26.685 0.270 1.00 0.00 C ATOM 0 H ALA A 60 10.100 -25.845 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 60 8.651 -27.711 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.203 -27.117 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.050 -27.278 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.696 -25.662 0.364 1.00 0.00 H new ATOM 849 N ILE A 61 7.853 -24.619 0.114 1.00 0.00 N ATOM 850 CA ILE A 61 6.894 -23.781 0.823 1.00 0.00 C ATOM 851 C ILE A 61 5.462 -24.202 0.513 1.00 0.00 C ATOM 852 O ILE A 61 4.587 -24.141 1.376 1.00 0.00 O ATOM 853 CB ILE A 61 7.070 -22.294 0.460 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.400 -21.768 1.003 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.908 -21.476 1.004 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.827 -20.455 0.386 1.00 0.00 C ATOM 0 H ILE A 61 8.427 -24.121 -0.566 1.00 0.00 H new ATOM 0 HA ILE A 61 7.086 -23.912 1.888 1.00 0.00 H new ATOM 0 HB ILE A 61 7.080 -22.198 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.319 -21.643 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.176 -22.513 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.046 -20.428 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.975 -21.839 0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.870 -21.575 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.778 -20.142 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.941 -20.579 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.071 -19.696 0.586 1.00 0.00 H new ATOM 868 N GLU A 62 5.231 -24.632 -0.723 1.00 0.00 N ATOM 869 CA GLU A 62 3.904 -25.065 -1.146 1.00 0.00 C ATOM 870 C GLU A 62 3.732 -26.567 -0.943 1.00 0.00 C ATOM 871 O GLU A 62 2.611 -27.066 -0.849 1.00 0.00 O ATOM 872 CB GLU A 62 3.671 -24.707 -2.615 1.00 0.00 C ATOM 873 CG GLU A 62 2.780 -25.696 -3.348 1.00 0.00 C ATOM 874 CD GLU A 62 2.278 -25.158 -4.674 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.550 -24.144 -4.666 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.615 -25.752 -5.720 1.00 0.00 O ATOM 0 H GLU A 62 5.945 -24.690 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 62 3.167 -24.547 -0.532 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.222 -23.715 -2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.633 -24.651 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.334 -26.619 -3.521 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.928 -25.949 -2.717 1.00 0.00 H new ATOM 883 N GLU A 63 4.851 -27.282 -0.877 1.00 0.00 N ATOM 884 CA GLU A 63 4.824 -28.727 -0.687 1.00 0.00 C ATOM 885 C GLU A 63 4.669 -29.079 0.790 1.00 0.00 C ATOM 886 O GLU A 63 3.686 -29.703 1.191 1.00 0.00 O ATOM 887 CB GLU A 63 6.101 -29.362 -1.242 1.00 0.00 C ATOM 888 CG GLU A 63 6.298 -29.129 -2.731 1.00 0.00 C ATOM 889 CD GLU A 63 5.725 -30.250 -3.577 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.749 -30.889 -3.134 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.255 -30.487 -4.683 1.00 0.00 O ATOM 0 H GLU A 63 5.787 -26.884 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 63 3.965 -29.122 -1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.960 -28.962 -0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.076 -30.435 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.826 -28.188 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.363 -29.028 -2.942 1.00 0.00 H new ATOM 898 N VAL A 64 5.647 -28.674 1.594 1.00 0.00 N ATOM 899 CA VAL A 64 5.620 -28.946 3.026 1.00 0.00 C ATOM 900 C VAL A 64 4.359 -28.379 3.669 1.00 0.00 C ATOM 901 O VAL A 64 3.777 -28.992 4.565 1.00 0.00 O ATOM 902 CB VAL A 64 6.854 -28.353 3.733 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.940 -28.853 5.167 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.122 -28.693 2.964 1.00 0.00 C ATOM 0 H VAL A 64 6.467 -28.157 1.278 1.00 0.00 H new ATOM 0 HA VAL A 64 5.629 -30.030 3.143 1.00 0.00 H new ATOM 0 HB VAL A 64 6.751 -27.268 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.818 -28.424 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.044 -28.554 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.020 -29.940 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.984 -28.267 3.477 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.233 -29.776 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.058 -28.281 1.957 1.00 0.00 H new ATOM 914 N HIS A 65 3.942 -27.205 3.207 1.00 0.00 N ATOM 915 CA HIS A 65 2.748 -26.556 3.736 1.00 0.00 C ATOM 916 C HIS A 65 1.527 -27.460 3.591 1.00 0.00 C ATOM 917 O HIS A 65 1.193 -27.896 2.490 1.00 0.00 O ATOM 918 CB HIS A 65 2.502 -25.229 3.017 1.00 0.00 C ATOM 919 CG HIS A 65 1.199 -24.585 3.378 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.659 -24.637 4.646 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.328 -23.869 2.629 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.489 -23.983 4.661 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.712 -23.507 3.449 1.00 0.00 N ATOM 0 H HIS A 65 4.413 -26.684 2.468 1.00 0.00 H new ATOM 0 HA HIS A 65 2.910 -26.362 4.796 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.315 -24.542 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.528 -25.398 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.432 -23.627 1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.135 -23.859 5.518 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.525 -22.959 3.168 1.00 0.00 H new ATOM 931 N GLY A 66 0.866 -27.738 4.710 1.00 0.00 N ATOM 932 CA GLY A 66 -0.309 -28.590 4.685 1.00 0.00 C ATOM 933 C GLY A 66 0.030 -30.052 4.897 1.00 0.00 C ATOM 934 O GLY A 66 -0.837 -30.920 4.793 1.00 0.00 O ATOM 0 H GLY A 66 1.123 -27.389 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.005 -28.266 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.818 -28.473 3.728 1.00 0.00 H new ATOM 938 N LYS A 67 1.296 -30.327 5.193 1.00 0.00 N ATOM 939 CA LYS A 67 1.749 -31.695 5.420 1.00 0.00 C ATOM 940 C LYS A 67 1.369 -32.169 6.819 1.00 0.00 C ATOM 941 O LYS A 67 0.695 -31.458 7.564 1.00 0.00 O ATOM 942 CB LYS A 67 3.265 -31.789 5.232 1.00 0.00 C ATOM 943 CG LYS A 67 3.700 -31.764 3.777 1.00 0.00 C ATOM 944 CD LYS A 67 3.253 -33.015 3.040 1.00 0.00 C ATOM 945 CE LYS A 67 4.380 -34.031 2.932 1.00 0.00 C ATOM 946 NZ LYS A 67 4.437 -34.924 4.122 1.00 0.00 N ATOM 0 H LYS A 67 2.027 -29.621 5.281 1.00 0.00 H new ATOM 0 HA LYS A 67 1.258 -32.340 4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.740 -30.961 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.624 -32.709 5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.284 -30.884 3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.785 -31.676 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.407 -33.463 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.907 -32.746 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.242 -34.632 2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.331 -33.509 2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.361 -34.823 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.683 -34.663 4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.307 -35.911 3.822 1.00 0.00 H new ATOM 960 N SER A 68 1.807 -33.374 7.170 1.00 0.00 N ATOM 961 CA SER A 68 1.511 -33.944 8.479 1.00 0.00 C ATOM 962 C SER A 68 2.796 -34.301 9.219 1.00 0.00 C ATOM 963 O SER A 68 3.783 -34.715 8.610 1.00 0.00 O ATOM 964 CB SER A 68 0.632 -35.187 8.330 1.00 0.00 C ATOM 965 OG SER A 68 1.250 -36.152 7.497 1.00 0.00 O ATOM 0 H SER A 68 2.368 -33.974 6.566 1.00 0.00 H new ATOM 0 HA SER A 68 0.973 -33.195 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.439 -35.620 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.334 -34.905 7.911 1.00 0.00 H new ATOM 0 HG SER A 68 0.669 -36.937 7.419 1.00 0.00 H new ATOM 971 N PHE A 69 2.776 -34.138 10.538 1.00 0.00 N ATOM 972 CA PHE A 69 3.939 -34.443 11.363 1.00 0.00 C ATOM 973 C PHE A 69 3.592 -34.355 12.847 1.00 0.00 C ATOM 974 O PHE A 69 2.991 -33.381 13.298 1.00 0.00 O ATOM 975 CB PHE A 69 5.086 -33.483 11.039 1.00 0.00 C ATOM 976 CG PHE A 69 6.414 -33.930 11.581 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.767 -33.663 12.894 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.308 -34.619 10.778 1.00 0.00 C ATOM 979 CE1 PHE A 69 7.988 -34.073 13.395 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.531 -35.032 11.273 1.00 0.00 C ATOM 981 CZ PHE A 69 8.871 -34.759 12.583 1.00 0.00 C ATOM 0 H PHE A 69 1.968 -33.797 11.058 1.00 0.00 H new ATOM 0 HA PHE A 69 4.253 -35.463 11.141 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.163 -33.373 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.850 -32.499 11.443 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.080 -33.128 13.533 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.046 -34.836 9.753 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.252 -33.858 14.420 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.219 -35.567 10.636 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.825 -35.081 12.972 1.00 0.00 H new ATOM 991 N ALA A 70 3.974 -35.382 13.599 1.00 0.00 N ATOM 992 CA ALA A 70 3.705 -35.421 15.031 1.00 0.00 C ATOM 993 C ALA A 70 2.206 -35.395 15.309 1.00 0.00 C ATOM 994 O ALA A 70 1.753 -34.767 16.265 1.00 0.00 O ATOM 995 CB ALA A 70 4.393 -34.258 15.730 1.00 0.00 C ATOM 0 H ALA A 70 4.470 -36.198 13.240 1.00 0.00 H new ATOM 0 HA ALA A 70 4.105 -36.355 15.425 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.183 -34.300 16.799 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.469 -34.322 15.569 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.020 -33.318 15.324 1.00 0.00 H new ATOM 1001 N ASN A 71 1.440 -36.080 14.465 1.00 0.00 N ATOM 1002 CA ASN A 71 -0.009 -36.134 14.620 1.00 0.00 C ATOM 1003 C ASN A 71 -0.614 -34.734 14.567 1.00 0.00 C ATOM 1004 O ASN A 71 -1.621 -34.458 15.218 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.377 -36.811 15.942 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.375 -38.324 15.837 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.306 -38.921 15.297 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.675 -38.951 16.354 1.00 0.00 N ATOM 0 H ASN A 71 1.799 -36.605 13.667 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.416 -36.718 13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.328 -36.502 16.714 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.364 -36.473 16.258 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.733 -39.969 16.313 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.424 -38.415 16.792 1.00 0.00 H new ATOM 1015 N GLN A 72 0.007 -33.856 13.786 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.470 -32.486 13.648 1.00 0.00 C ATOM 1017 C GLN A 72 -0.122 -31.924 12.273 1.00 0.00 C ATOM 1018 O GLN A 72 0.879 -32.293 11.660 1.00 0.00 O ATOM 1019 CB GLN A 72 0.132 -31.601 14.741 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.233 -32.040 16.149 1.00 0.00 C ATOM 1021 CD GLN A 72 0.161 -31.020 17.199 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.257 -29.826 16.916 1.00 0.00 O ATOM 1023 NE2 GLN A 72 0.393 -31.487 18.421 1.00 0.00 N ATOM 0 H GLN A 72 0.841 -34.069 13.239 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.555 -32.494 13.753 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.217 -31.600 14.640 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.203 -30.575 14.591 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.307 -32.216 16.204 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.257 -32.989 16.368 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.302 -32.485 18.611 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.662 -30.848 19.169 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.968 -31.009 11.776 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.771 -30.377 10.468 1.00 0.00 C ATOM 1034 C PRO A 73 0.419 -29.424 10.459 1.00 0.00 C ATOM 1035 O PRO A 73 0.504 -28.512 11.282 1.00 0.00 O ATOM 1036 CB PRO A 73 -2.075 -29.606 10.247 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.596 -29.342 11.617 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.182 -30.522 12.452 1.00 0.00 C ATOM 0 HA PRO A 73 -0.555 -31.109 9.690 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.899 -28.677 9.705 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.784 -30.188 9.659 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.185 -28.416 12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.680 -29.232 11.608 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.979 -30.233 13.483 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.959 -31.286 12.482 1.00 0.00 H new ATOM 1046 N LEU A 74 1.337 -29.641 9.523 1.00 0.00 N ATOM 1047 CA LEU A 74 2.523 -28.800 9.406 1.00 0.00 C ATOM 1048 C LEU A 74 2.199 -27.498 8.679 1.00 0.00 C ATOM 1049 O LEU A 74 1.155 -27.378 8.040 1.00 0.00 O ATOM 1050 CB LEU A 74 3.632 -29.549 8.664 1.00 0.00 C ATOM 1051 CG LEU A 74 4.456 -30.528 9.500 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.531 -31.184 8.648 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.079 -29.818 10.693 1.00 0.00 C ATOM 0 H LEU A 74 1.283 -30.392 8.835 1.00 0.00 H new ATOM 0 HA LEU A 74 2.866 -28.557 10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.182 -30.098 7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.310 -28.815 8.228 1.00 0.00 H new ATOM 0 HG LEU A 74 3.791 -31.307 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.107 -31.878 9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.063 -31.727 7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.194 -30.418 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.662 -30.530 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.731 -29.018 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.291 -29.396 11.317 1.00 0.00 H new ATOM 1065 N GLU A 75 3.102 -26.528 8.782 1.00 0.00 N ATOM 1066 CA GLU A 75 2.912 -25.236 8.133 1.00 0.00 C ATOM 1067 C GLU A 75 4.254 -24.593 7.798 1.00 0.00 C ATOM 1068 O GLU A 75 5.138 -24.495 8.649 1.00 0.00 O ATOM 1069 CB GLU A 75 2.097 -24.304 9.033 1.00 0.00 C ATOM 1070 CG GLU A 75 1.968 -22.892 8.488 1.00 0.00 C ATOM 1071 CD GLU A 75 0.819 -22.127 9.115 1.00 0.00 C ATOM 1072 OE1 GLU A 75 1.038 -21.481 10.161 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.299 -22.175 8.561 1.00 0.00 O ATOM 0 H GLU A 75 3.972 -26.612 9.308 1.00 0.00 H new ATOM 0 HA GLU A 75 2.366 -25.401 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.101 -24.724 9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.564 -24.263 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.898 -22.352 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.825 -22.935 7.408 1.00 0.00 H new ATOM 1080 N VAL A 76 4.399 -24.156 6.551 1.00 0.00 N ATOM 1081 CA VAL A 76 5.633 -23.521 6.102 1.00 0.00 C ATOM 1082 C VAL A 76 5.340 -22.327 5.201 1.00 0.00 C ATOM 1083 O VAL A 76 4.434 -22.371 4.369 1.00 0.00 O ATOM 1084 CB VAL A 76 6.531 -24.515 5.342 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.933 -23.949 5.177 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.569 -25.855 6.062 1.00 0.00 C ATOM 0 H VAL A 76 3.678 -24.230 5.834 1.00 0.00 H new ATOM 0 HA VAL A 76 6.156 -23.179 6.995 1.00 0.00 H new ATOM 0 HB VAL A 76 6.110 -24.673 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.553 -24.665 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.885 -23.016 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.367 -23.760 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.208 -26.546 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.966 -25.717 7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.560 -26.264 6.123 1.00 0.00 H new ATOM 1096 N VAL A 77 6.113 -21.259 5.372 1.00 0.00 N ATOM 1097 CA VAL A 77 5.938 -20.052 4.573 1.00 0.00 C ATOM 1098 C VAL A 77 7.282 -19.411 4.245 1.00 0.00 C ATOM 1099 O VAL A 77 8.320 -19.820 4.765 1.00 0.00 O ATOM 1100 CB VAL A 77 5.054 -19.022 5.300 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.767 -19.670 5.785 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.813 -18.392 6.458 1.00 0.00 C ATOM 0 H VAL A 77 6.867 -21.205 6.057 1.00 0.00 H new ATOM 0 HA VAL A 77 5.447 -20.353 3.648 1.00 0.00 H new ATOM 0 HB VAL A 77 4.791 -18.233 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.155 -18.926 6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.217 -20.069 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.005 -20.480 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.173 -17.667 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.107 -19.168 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.703 -17.890 6.079 1.00 0.00 H new ATOM 1112 N TYR A 78 7.254 -18.405 3.378 1.00 0.00 N ATOM 1113 CA TYR A 78 8.471 -17.708 2.978 1.00 0.00 C ATOM 1114 C TYR A 78 9.048 -16.908 4.142 1.00 0.00 C ATOM 1115 O TYR A 78 8.604 -15.796 4.426 1.00 0.00 O ATOM 1116 CB TYR A 78 8.186 -16.778 1.797 1.00 0.00 C ATOM 1117 CG TYR A 78 8.775 -17.260 0.491 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.132 -17.539 0.379 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.976 -17.435 -0.632 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.675 -17.979 -0.813 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.510 -17.876 -1.827 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.860 -18.146 -1.913 1.00 0.00 C ATOM 1123 OH TYR A 78 10.396 -18.584 -3.102 1.00 0.00 O ATOM 0 H TYR A 78 6.403 -18.054 2.939 1.00 0.00 H new ATOM 0 HA TYR A 78 9.205 -18.455 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.107 -16.671 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.583 -15.788 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.773 -17.410 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.919 -17.223 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.732 -18.191 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.874 -18.009 -2.690 1.00 0.00 H new ATOM 0 HH TYR A 78 11.062 -19.280 -2.924 1.00 0.00 H new ATOM 1133 N SER A 79 10.042 -17.483 4.811 1.00 0.00 N ATOM 1134 CA SER A 79 10.680 -16.827 5.946 1.00 0.00 C ATOM 1135 C SER A 79 11.099 -15.405 5.586 1.00 0.00 C ATOM 1136 O SER A 79 11.842 -15.187 4.629 1.00 0.00 O ATOM 1137 CB SER A 79 11.899 -17.629 6.407 1.00 0.00 C ATOM 1138 OG SER A 79 12.794 -16.816 7.147 1.00 0.00 O ATOM 0 H SER A 79 10.423 -18.402 4.587 1.00 0.00 H new ATOM 0 HA SER A 79 9.957 -16.779 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.575 -18.470 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.413 -18.046 5.541 1.00 0.00 H new ATOM 0 HG SER A 79 13.478 -17.379 7.565 1.00 0.00 H new ATOM 1144 N LYS A 80 10.617 -14.439 6.362 1.00 0.00 N ATOM 1145 CA LYS A 80 10.941 -13.037 6.128 1.00 0.00 C ATOM 1146 C LYS A 80 12.446 -12.805 6.209 1.00 0.00 C ATOM 1147 O LYS A 80 13.141 -13.444 7.000 1.00 0.00 O ATOM 1148 CB LYS A 80 10.222 -12.150 7.146 1.00 0.00 C ATOM 1149 CG LYS A 80 8.723 -12.389 7.211 1.00 0.00 C ATOM 1150 CD LYS A 80 8.033 -11.951 5.930 1.00 0.00 C ATOM 1151 CE LYS A 80 7.594 -10.497 6.003 1.00 0.00 C ATOM 1152 NZ LYS A 80 8.645 -9.574 5.493 1.00 0.00 N ATOM 0 H LYS A 80 10.001 -14.602 7.158 1.00 0.00 H new ATOM 0 HA LYS A 80 10.605 -12.775 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.652 -12.322 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.404 -11.105 6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.530 -13.447 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.303 -11.844 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.710 -12.086 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.166 -12.585 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.681 -10.364 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.356 -10.241 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.213 -8.662 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.363 -9.424 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.094 -9.990 4.652 1.00 0.00 H new TER 1166 LYS A 80