USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1010 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 103 GLN :FLIP amide:sc= -0.727 F(o=-11,f=-8.9) USER MOD Set 1.2: A 104 GLN : amide:sc= -8.16! C(o=-8.9!,f=-9.7!) USER MOD Set 2.1: A 98 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.095) USER MOD Set 2.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 62 THR OG1 : rot 180:sc= 0.906 USER MOD Set 3.2: A 64 THR OG1 : rot -71:sc= 1.03 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 113 LYS NZ :NH3+ -144:sc= -0.358 (180deg=-1.12) USER MOD Set 5.1: A 17 LYS NZ :NH3+ 160:sc= -0.0126 (180deg=-0.167) USER MOD Set 5.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -104:sc= 0.115 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 8 SER OG : rot 160:sc= -0.833 USER MOD Single : A 13 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.37 F(o=-2.7,f=-0.37) USER MOD Single : A 15 THR OG1 : rot -43:sc= 0.65 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= -1.28 (180deg=-3.23!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00114 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.431 USER MOD Single : A 39 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.12) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -141:sc= -0.715 (180deg=-2.07!) USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 0.0614 (180deg=0.000844) USER MOD Single : A 57 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.54) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= -3.91! USER MOD Single : A 84 ASN :FLIP amide:sc= -4.06! F(o=-5,f=-4.1!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0356) USER MOD Single : A 92 ASN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 100 THR OG1 : rot 91:sc= -0.176 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -146:sc= -1.09 (180deg=-2.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.828 5.226 -16.475 1.00 0.00 N ATOM 2 CA SER A 1 7.780 4.768 -15.526 1.00 0.00 C ATOM 3 C SER A 1 8.207 4.995 -14.080 1.00 0.00 C ATOM 4 O SER A 1 9.183 5.698 -13.813 1.00 0.00 O ATOM 5 CB SER A 1 7.519 3.280 -15.772 1.00 0.00 C ATOM 6 OG SER A 1 7.312 3.017 -17.149 1.00 0.00 O ATOM 0 H1 SER A 1 8.541 6.132 -16.898 1.00 0.00 H new ATOM 0 H2 SER A 1 9.727 5.350 -15.966 1.00 0.00 H new ATOM 0 H3 SER A 1 8.951 4.517 -17.226 1.00 0.00 H new ATOM 0 HA SER A 1 6.870 5.344 -15.693 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.365 2.695 -15.410 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.645 2.962 -15.203 1.00 0.00 H new ATOM 0 HG SER A 1 7.149 2.059 -17.278 1.00 0.00 H new ATOM 14 N ARG A 2 7.470 4.396 -13.151 1.00 0.00 N ATOM 15 CA ARG A 2 7.771 4.533 -11.730 1.00 0.00 C ATOM 16 C ARG A 2 7.175 3.376 -10.936 1.00 0.00 C ATOM 17 O ARG A 2 6.629 2.435 -11.512 1.00 0.00 O ATOM 18 CB ARG A 2 7.244 5.871 -11.200 1.00 0.00 C ATOM 19 CG ARG A 2 5.773 6.119 -11.503 1.00 0.00 C ATOM 20 CD ARG A 2 5.577 6.751 -12.872 1.00 0.00 C ATOM 21 NE ARG A 2 6.187 8.076 -12.956 1.00 0.00 N ATOM 22 CZ ARG A 2 5.851 8.991 -13.864 1.00 0.00 C ATOM 23 NH1 ARG A 2 4.917 8.728 -14.769 1.00 0.00 N ATOM 24 NH2 ARG A 2 6.454 10.172 -13.867 1.00 0.00 N ATOM 0 H ARG A 2 6.660 3.811 -13.356 1.00 0.00 H new ATOM 0 HA ARG A 2 8.854 4.510 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.394 5.907 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.835 6.679 -11.631 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.228 5.176 -11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 2 5.349 6.770 -10.738 1.00 0.00 H new ATOM 0 HD2 ARG A 2 6.009 6.104 -13.635 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.511 6.828 -13.086 1.00 0.00 H new ATOM 0 HE ARG A 2 6.913 8.314 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.451 7.821 -14.772 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.665 9.433 -15.461 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.174 10.379 -13.175 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.198 10.874 -14.562 1.00 0.00 H new ATOM 38 N LEU A 3 7.283 3.447 -9.609 1.00 0.00 N ATOM 39 CA LEU A 3 6.753 2.401 -8.735 1.00 0.00 C ATOM 40 C LEU A 3 5.344 2.002 -9.157 1.00 0.00 C ATOM 41 O LEU A 3 4.406 2.786 -9.041 1.00 0.00 O ATOM 42 CB LEU A 3 6.745 2.881 -7.283 1.00 0.00 C ATOM 43 CG LEU A 3 7.059 1.805 -6.242 1.00 0.00 C ATOM 44 CD1 LEU A 3 8.484 1.298 -6.413 1.00 0.00 C ATOM 45 CD2 LEU A 3 6.845 2.344 -4.835 1.00 0.00 C ATOM 0 H LEU A 3 7.733 4.218 -9.116 1.00 0.00 H new ATOM 0 HA LEU A 3 7.399 1.527 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.471 3.688 -7.179 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.765 3.304 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 3 6.377 0.968 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.690 0.533 -5.664 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.601 0.872 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.182 2.126 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.073 1.564 -4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.501 3.198 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.807 2.656 -4.719 1.00 0.00 H new ATOM 57 N GLU A 4 5.206 0.780 -9.657 1.00 0.00 N ATOM 58 CA GLU A 4 3.913 0.287 -10.104 1.00 0.00 C ATOM 59 C GLU A 4 3.860 -1.237 -10.055 1.00 0.00 C ATOM 60 O GLU A 4 4.892 -1.906 -10.003 1.00 0.00 O ATOM 61 CB GLU A 4 3.628 0.779 -11.526 1.00 0.00 C ATOM 62 CG GLU A 4 4.405 0.036 -12.603 1.00 0.00 C ATOM 63 CD GLU A 4 4.398 0.762 -13.933 1.00 0.00 C ATOM 64 OE1 GLU A 4 4.870 1.917 -13.982 1.00 0.00 O ATOM 65 OE2 GLU A 4 3.920 0.176 -14.928 1.00 0.00 O ATOM 0 H GLU A 4 5.972 0.115 -9.762 1.00 0.00 H new ATOM 0 HA GLU A 4 3.149 0.674 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.561 0.680 -11.727 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.866 1.841 -11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.435 -0.101 -12.274 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.977 -0.958 -12.734 1.00 0.00 H new ATOM 72 N GLY A 5 2.647 -1.775 -10.075 1.00 0.00 N ATOM 73 CA GLY A 5 2.471 -3.213 -10.036 1.00 0.00 C ATOM 74 C GLY A 5 1.177 -3.608 -9.358 1.00 0.00 C ATOM 75 O GLY A 5 0.227 -2.826 -9.326 1.00 0.00 O ATOM 0 H GLY A 5 1.780 -1.239 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 5 2.483 -3.607 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.310 -3.667 -9.508 1.00 0.00 H new ATOM 79 N TRP A 6 1.137 -4.816 -8.812 1.00 0.00 N ATOM 80 CA TRP A 6 -0.056 -5.293 -8.129 1.00 0.00 C ATOM 81 C TRP A 6 0.236 -5.582 -6.667 1.00 0.00 C ATOM 82 O TRP A 6 1.108 -6.387 -6.343 1.00 0.00 O ATOM 83 CB TRP A 6 -0.603 -6.550 -8.799 1.00 0.00 C ATOM 84 CG TRP A 6 -0.771 -6.391 -10.269 1.00 0.00 C ATOM 85 CD1 TRP A 6 0.216 -6.434 -11.198 1.00 0.00 C ATOM 86 CD2 TRP A 6 -1.990 -6.156 -10.980 1.00 0.00 C ATOM 87 NE1 TRP A 6 -0.306 -6.230 -12.448 1.00 0.00 N ATOM 88 CE2 TRP A 6 -1.660 -6.063 -12.344 1.00 0.00 C ATOM 89 CE3 TRP A 6 -3.328 -6.016 -10.597 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -2.618 -5.835 -13.328 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -4.278 -5.791 -11.576 1.00 0.00 C ATOM 92 CH2 TRP A 6 -3.920 -5.703 -12.927 1.00 0.00 C ATOM 0 H TRP A 6 1.912 -5.479 -8.829 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.807 -4.505 -8.191 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.071 -7.384 -8.603 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.564 -6.805 -8.353 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.261 -6.604 -10.984 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.229 -6.206 -13.316 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -3.613 -6.082 -9.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.344 -5.765 -14.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.315 -5.681 -11.294 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -4.687 -5.527 -13.667 1.00 0.00 H new ATOM 103 N LEU A 7 -0.516 -4.941 -5.786 1.00 0.00 N ATOM 104 CA LEU A 7 -0.354 -5.149 -4.358 1.00 0.00 C ATOM 105 C LEU A 7 -1.656 -5.662 -3.780 1.00 0.00 C ATOM 106 O LEU A 7 -2.733 -5.332 -4.271 1.00 0.00 O ATOM 107 CB LEU A 7 0.068 -3.864 -3.658 1.00 0.00 C ATOM 108 CG LEU A 7 1.447 -3.338 -4.056 1.00 0.00 C ATOM 109 CD1 LEU A 7 1.574 -1.871 -3.696 1.00 0.00 C ATOM 110 CD2 LEU A 7 2.541 -4.151 -3.381 1.00 0.00 C ATOM 0 H LEU A 7 -1.245 -4.272 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 7 0.434 -5.885 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.673 -3.093 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.056 -4.033 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 7 1.561 -3.440 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.561 -1.510 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.810 -1.300 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.443 -1.747 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.516 -3.763 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.433 -4.079 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.459 -5.195 -3.685 1.00 0.00 H new ATOM 122 N SER A 8 -1.554 -6.488 -2.758 1.00 0.00 N ATOM 123 CA SER A 8 -2.736 -7.081 -2.147 1.00 0.00 C ATOM 124 C SER A 8 -3.280 -6.227 -1.010 1.00 0.00 C ATOM 125 O SER A 8 -2.525 -5.612 -0.258 1.00 0.00 O ATOM 126 CB SER A 8 -2.420 -8.488 -1.638 1.00 0.00 C ATOM 127 OG SER A 8 -2.883 -9.473 -2.546 1.00 0.00 O ATOM 0 H SER A 8 -0.670 -6.766 -2.331 1.00 0.00 H new ATOM 0 HA SER A 8 -3.506 -7.137 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.344 -8.595 -1.498 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.885 -8.639 -0.664 1.00 0.00 H new ATOM 0 HG SER A 8 -2.410 -10.316 -2.384 1.00 0.00 H new ATOM 133 N LEU A 9 -4.602 -6.207 -0.898 1.00 0.00 N ATOM 134 CA LEU A 9 -5.279 -5.446 0.139 1.00 0.00 C ATOM 135 C LEU A 9 -6.255 -6.340 0.894 1.00 0.00 C ATOM 136 O LEU A 9 -6.726 -7.344 0.361 1.00 0.00 O ATOM 137 CB LEU A 9 -6.024 -4.260 -0.476 1.00 0.00 C ATOM 138 CG LEU A 9 -5.143 -3.270 -1.243 1.00 0.00 C ATOM 139 CD1 LEU A 9 -5.022 -3.684 -2.701 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.705 -1.861 -1.133 1.00 0.00 C ATOM 0 H LEU A 9 -5.230 -6.715 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.533 -5.068 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.789 -4.642 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.541 -3.723 0.319 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.147 -3.279 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.393 -2.969 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.575 -4.676 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.012 -3.704 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.066 -1.171 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.711 -1.837 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.741 -1.564 -0.085 1.00 0.00 H new ATOM 152 N PRO A 10 -6.574 -5.994 2.151 1.00 0.00 N ATOM 153 CA PRO A 10 -7.497 -6.784 2.968 1.00 0.00 C ATOM 154 C PRO A 10 -8.900 -6.833 2.376 1.00 0.00 C ATOM 155 O PRO A 10 -9.695 -5.911 2.554 1.00 0.00 O ATOM 156 CB PRO A 10 -7.507 -6.059 4.318 1.00 0.00 C ATOM 157 CG PRO A 10 -7.020 -4.682 4.023 1.00 0.00 C ATOM 158 CD PRO A 10 -6.061 -4.818 2.875 1.00 0.00 C ATOM 0 HA PRO A 10 -7.182 -7.825 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.509 -6.039 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.861 -6.560 5.039 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.848 -4.023 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.528 -4.248 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.056 -3.928 2.246 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.038 -4.971 3.220 1.00 0.00 H new ATOM 166 N VAL A 11 -9.194 -7.922 1.674 1.00 0.00 N ATOM 167 CA VAL A 11 -10.500 -8.105 1.054 1.00 0.00 C ATOM 168 C VAL A 11 -11.493 -8.695 2.051 1.00 0.00 C ATOM 169 O VAL A 11 -11.124 -9.031 3.175 1.00 0.00 O ATOM 170 CB VAL A 11 -10.397 -9.017 -0.191 1.00 0.00 C ATOM 171 CG1 VAL A 11 -10.298 -10.485 0.199 1.00 0.00 C ATOM 172 CG2 VAL A 11 -11.573 -8.787 -1.127 1.00 0.00 C ATOM 0 H VAL A 11 -8.544 -8.693 1.520 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.859 -7.125 0.739 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.480 -8.753 -0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.227 -11.096 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.411 -10.639 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.185 -10.772 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.480 -9.439 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.503 -9.010 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.580 -7.747 -1.453 1.00 0.00 H new ATOM 182 N ARG A 12 -12.749 -8.821 1.638 1.00 0.00 N ATOM 183 CA ARG A 12 -13.779 -9.376 2.505 1.00 0.00 C ATOM 184 C ARG A 12 -14.491 -10.535 1.818 1.00 0.00 C ATOM 185 O ARG A 12 -15.489 -10.344 1.124 1.00 0.00 O ATOM 186 CB ARG A 12 -14.788 -8.296 2.896 1.00 0.00 C ATOM 187 CG ARG A 12 -14.283 -7.352 3.977 1.00 0.00 C ATOM 188 CD ARG A 12 -14.926 -5.979 3.865 1.00 0.00 C ATOM 189 NE ARG A 12 -15.374 -5.476 5.162 1.00 0.00 N ATOM 190 CZ ARG A 12 -16.473 -5.902 5.782 1.00 0.00 C ATOM 191 NH1 ARG A 12 -17.236 -6.837 5.228 1.00 0.00 N ATOM 192 NH2 ARG A 12 -16.810 -5.390 6.957 1.00 0.00 N ATOM 0 H ARG A 12 -13.077 -8.547 0.712 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.299 -9.750 3.409 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.047 -7.715 2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.704 -8.775 3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.496 -7.775 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.200 -7.255 3.899 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.212 -5.279 3.432 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.775 -6.031 3.184 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.813 -4.757 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.981 -7.233 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.077 -7.159 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.228 -4.670 7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.652 -5.716 7.433 1.00 0.00 H new ATOM 206 N ASN A 13 -13.962 -11.738 2.014 1.00 0.00 N ATOM 207 CA ASN A 13 -14.530 -12.945 1.416 1.00 0.00 C ATOM 208 C ASN A 13 -16.052 -12.982 1.547 1.00 0.00 C ATOM 209 O ASN A 13 -16.772 -12.701 0.589 1.00 0.00 O ATOM 210 CB ASN A 13 -13.922 -14.190 2.064 1.00 0.00 C ATOM 211 CG ASN A 13 -12.594 -14.575 1.442 1.00 0.00 C ATOM 212 OD1 ASN A 13 -12.519 -15.500 0.631 1.00 0.00 O ATOM 213 ND2 ASN A 13 -11.536 -13.866 1.817 1.00 0.00 N ATOM 0 H ASN A 13 -13.135 -11.905 2.586 1.00 0.00 H new ATOM 0 HA ASN A 13 -14.287 -12.931 0.354 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.782 -14.010 3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.619 -15.023 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.616 -14.079 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.643 -13.108 2.491 1.00 0.00 H new ATOM 220 N ASN A 14 -16.537 -13.337 2.734 1.00 0.00 N ATOM 221 CA ASN A 14 -17.976 -13.415 2.977 1.00 0.00 C ATOM 222 C ASN A 14 -18.403 -12.476 4.101 1.00 0.00 C ATOM 223 O ASN A 14 -19.070 -12.889 5.050 1.00 0.00 O ATOM 224 CB ASN A 14 -18.386 -14.855 3.313 1.00 0.00 C ATOM 225 CG ASN A 14 -17.298 -15.627 4.039 1.00 0.00 C ATOM 226 OD1 ASN A 14 -16.743 -15.027 5.085 1.00 0.00 O flip ATOM 227 ND2 ASN A 14 -16.962 -16.749 3.662 1.00 0.00 N flip ATOM 0 H ASN A 14 -15.958 -13.574 3.540 1.00 0.00 H new ATOM 0 HA ASN A 14 -18.482 -13.103 2.064 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.284 -14.837 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.642 -15.378 2.392 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.416 -17.172 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.230 -17.256 4.159 1.00 0.00 H new ATOM 234 N THR A 15 -18.021 -11.207 3.984 1.00 0.00 N ATOM 235 CA THR A 15 -18.367 -10.203 4.987 1.00 0.00 C ATOM 236 C THR A 15 -17.990 -10.661 6.393 1.00 0.00 C ATOM 237 O THR A 15 -18.578 -10.216 7.379 1.00 0.00 O ATOM 238 CB THR A 15 -19.863 -9.889 4.927 1.00 0.00 C ATOM 239 OG1 THR A 15 -20.618 -10.921 5.537 1.00 0.00 O ATOM 240 CG2 THR A 15 -20.383 -9.710 3.516 1.00 0.00 C ATOM 0 H THR A 15 -17.471 -10.849 3.203 1.00 0.00 H new ATOM 0 HA THR A 15 -17.798 -9.301 4.762 1.00 0.00 H new ATOM 0 HB THR A 15 -19.981 -8.946 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.263 -11.792 5.262 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.450 -9.490 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.856 -8.886 3.036 1.00 0.00 H new ATOM 0 HG23 THR A 15 -20.218 -10.626 2.948 1.00 0.00 H new ATOM 248 N LYS A 16 -17.006 -11.549 6.481 1.00 0.00 N ATOM 249 CA LYS A 16 -16.551 -12.060 7.770 1.00 0.00 C ATOM 250 C LYS A 16 -15.028 -12.115 7.814 1.00 0.00 C ATOM 251 O LYS A 16 -14.394 -11.391 8.581 1.00 0.00 O ATOM 252 CB LYS A 16 -17.133 -13.451 8.029 1.00 0.00 C ATOM 253 CG LYS A 16 -18.653 -13.489 8.000 1.00 0.00 C ATOM 254 CD LYS A 16 -19.168 -14.861 7.599 1.00 0.00 C ATOM 255 CE LYS A 16 -19.397 -15.746 8.814 1.00 0.00 C ATOM 256 NZ LYS A 16 -20.493 -16.728 8.587 1.00 0.00 N ATOM 0 H LYS A 16 -16.508 -11.930 5.676 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.900 -11.383 8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.746 -14.143 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -16.787 -13.806 9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.043 -13.226 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.023 -12.741 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.100 -14.753 7.045 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -18.452 -15.338 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -18.477 -16.278 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.640 -15.124 9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.618 -17.312 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.377 -16.220 8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.251 -17.339 7.781 1.00 0.00 H new ATOM 270 N LYS A 17 -14.449 -12.971 6.979 1.00 0.00 N ATOM 271 CA LYS A 17 -13.000 -13.110 6.915 1.00 0.00 C ATOM 272 C LYS A 17 -12.414 -12.088 5.945 1.00 0.00 C ATOM 273 O LYS A 17 -13.144 -11.289 5.360 1.00 0.00 O ATOM 274 CB LYS A 17 -12.619 -14.528 6.482 1.00 0.00 C ATOM 275 CG LYS A 17 -11.892 -15.318 7.558 1.00 0.00 C ATOM 276 CD LYS A 17 -10.396 -15.052 7.530 1.00 0.00 C ATOM 277 CE LYS A 17 -10.007 -13.945 8.495 1.00 0.00 C ATOM 278 NZ LYS A 17 -10.117 -14.383 9.915 1.00 0.00 N ATOM 0 H LYS A 17 -14.961 -13.578 6.338 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.589 -12.927 7.908 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.522 -15.066 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.987 -14.471 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.291 -15.054 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.076 -16.383 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.859 -15.965 7.787 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.093 -14.778 6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.984 -13.628 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.648 -13.079 8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.543 -13.758 10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.111 -14.336 10.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.774 -15.361 10.004 1.00 0.00 H new ATOM 292 N PHE A 18 -11.098 -12.117 5.778 1.00 0.00 N ATOM 293 CA PHE A 18 -10.431 -11.186 4.875 1.00 0.00 C ATOM 294 C PHE A 18 -9.210 -11.824 4.228 1.00 0.00 C ATOM 295 O PHE A 18 -8.272 -12.236 4.910 1.00 0.00 O ATOM 296 CB PHE A 18 -10.022 -9.916 5.621 1.00 0.00 C ATOM 297 CG PHE A 18 -11.110 -9.357 6.494 1.00 0.00 C ATOM 298 CD1 PHE A 18 -11.338 -9.875 7.759 1.00 0.00 C ATOM 299 CD2 PHE A 18 -11.904 -8.312 6.049 1.00 0.00 C ATOM 300 CE1 PHE A 18 -12.338 -9.362 8.563 1.00 0.00 C ATOM 301 CE2 PHE A 18 -12.906 -7.795 6.848 1.00 0.00 C ATOM 302 CZ PHE A 18 -13.123 -8.320 8.107 1.00 0.00 C ATOM 0 H PHE A 18 -10.474 -12.770 6.252 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.138 -10.924 4.088 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.148 -10.131 6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.723 -9.159 4.896 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.727 -10.689 8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.738 -7.897 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -12.506 -9.775 9.547 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.519 -6.981 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.905 -7.917 8.734 1.00 0.00 H new ATOM 312 N GLY A 19 -9.229 -11.894 2.903 1.00 0.00 N ATOM 313 CA GLY A 19 -8.118 -12.476 2.171 1.00 0.00 C ATOM 314 C GLY A 19 -7.208 -11.420 1.574 1.00 0.00 C ATOM 315 O GLY A 19 -6.906 -10.416 2.219 1.00 0.00 O ATOM 0 H GLY A 19 -9.995 -11.558 2.320 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.540 -13.115 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.504 -13.113 1.375 1.00 0.00 H new ATOM 319 N TRP A 20 -6.771 -11.644 0.338 1.00 0.00 N ATOM 320 CA TRP A 20 -5.894 -10.697 -0.340 1.00 0.00 C ATOM 321 C TRP A 20 -6.245 -10.582 -1.818 1.00 0.00 C ATOM 322 O TRP A 20 -6.527 -11.579 -2.483 1.00 0.00 O ATOM 323 CB TRP A 20 -4.431 -11.116 -0.198 1.00 0.00 C ATOM 324 CG TRP A 20 -3.953 -11.156 1.220 1.00 0.00 C ATOM 325 CD1 TRP A 20 -3.562 -12.259 1.925 1.00 0.00 C ATOM 326 CD2 TRP A 20 -3.810 -10.042 2.108 1.00 0.00 C ATOM 327 NE1 TRP A 20 -3.182 -11.896 3.195 1.00 0.00 N ATOM 328 CE2 TRP A 20 -3.328 -10.541 3.332 1.00 0.00 C ATOM 329 CE3 TRP A 20 -4.042 -8.668 1.985 1.00 0.00 C ATOM 330 CZ2 TRP A 20 -3.073 -9.715 4.425 1.00 0.00 C ATOM 331 CZ3 TRP A 20 -3.791 -7.851 3.071 1.00 0.00 C ATOM 332 CH2 TRP A 20 -3.311 -8.377 4.276 1.00 0.00 C ATOM 0 H TRP A 20 -7.009 -12.470 -0.212 1.00 0.00 H new ATOM 0 HA TRP A 20 -6.038 -9.725 0.132 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.299 -12.101 -0.645 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.807 -10.424 -0.763 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.553 -13.268 1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.846 -12.532 3.918 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.410 -8.253 1.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.701 -10.117 5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.968 -6.789 2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.125 -7.712 5.106 1.00 0.00 H new ATOM 343 N VAL A 21 -6.213 -9.357 -2.324 1.00 0.00 N ATOM 344 CA VAL A 21 -6.513 -9.094 -3.728 1.00 0.00 C ATOM 345 C VAL A 21 -5.537 -8.069 -4.288 1.00 0.00 C ATOM 346 O VAL A 21 -5.559 -6.903 -3.890 1.00 0.00 O ATOM 347 CB VAL A 21 -7.956 -8.582 -3.909 1.00 0.00 C ATOM 348 CG1 VAL A 21 -8.167 -7.288 -3.136 1.00 0.00 C ATOM 349 CG2 VAL A 21 -8.278 -8.390 -5.383 1.00 0.00 C ATOM 0 H VAL A 21 -5.981 -8.525 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.411 -10.034 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.638 -9.332 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.191 -6.943 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.986 -7.464 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.475 -6.529 -3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.301 -8.028 -5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.590 -7.663 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.174 -9.341 -5.905 1.00 0.00 H new ATOM 359 N LYS A 22 -4.664 -8.501 -5.195 1.00 0.00 N ATOM 360 CA LYS A 22 -3.680 -7.599 -5.766 1.00 0.00 C ATOM 361 C LYS A 22 -4.307 -6.617 -6.751 1.00 0.00 C ATOM 362 O LYS A 22 -4.712 -6.991 -7.851 1.00 0.00 O ATOM 363 CB LYS A 22 -2.560 -8.387 -6.446 1.00 0.00 C ATOM 364 CG LYS A 22 -2.981 -9.048 -7.744 1.00 0.00 C ATOM 365 CD LYS A 22 -1.951 -10.056 -8.210 1.00 0.00 C ATOM 366 CE LYS A 22 -1.468 -9.721 -9.607 1.00 0.00 C ATOM 367 NZ LYS A 22 -0.823 -10.887 -10.271 1.00 0.00 N ATOM 0 H LYS A 22 -4.621 -9.459 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.260 -7.018 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.724 -7.716 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.198 -9.152 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.942 -9.544 -7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.122 -8.288 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.107 -10.066 -7.521 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.383 -11.057 -8.199 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.310 -9.381 -10.210 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.759 -8.895 -9.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.508 -10.613 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.003 -11.196 -9.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.507 -11.667 -10.343 1.00 0.00 H new ATOM 381 N LYS A 23 -4.360 -5.351 -6.354 1.00 0.00 N ATOM 382 CA LYS A 23 -4.900 -4.304 -7.207 1.00 0.00 C ATOM 383 C LYS A 23 -3.751 -3.522 -7.823 1.00 0.00 C ATOM 384 O LYS A 23 -2.730 -3.295 -7.172 1.00 0.00 O ATOM 385 CB LYS A 23 -5.809 -3.368 -6.412 1.00 0.00 C ATOM 386 CG LYS A 23 -6.881 -4.094 -5.616 1.00 0.00 C ATOM 387 CD LYS A 23 -7.818 -4.868 -6.529 1.00 0.00 C ATOM 388 CE LYS A 23 -9.168 -5.104 -5.871 1.00 0.00 C ATOM 389 NZ LYS A 23 -9.990 -6.089 -6.626 1.00 0.00 N ATOM 0 H LYS A 23 -4.034 -5.026 -5.444 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.498 -4.761 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.199 -2.776 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.288 -2.670 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.411 -4.778 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.453 -3.374 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.957 -4.318 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.366 -5.825 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.018 -5.462 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.707 -4.159 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.601 -6.611 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.580 -5.589 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.364 -6.757 -7.120 1.00 0.00 H new ATOM 403 N TYR A 24 -3.903 -3.128 -9.075 1.00 0.00 N ATOM 404 CA TYR A 24 -2.847 -2.393 -9.757 1.00 0.00 C ATOM 405 C TYR A 24 -2.577 -1.052 -9.093 1.00 0.00 C ATOM 406 O TYR A 24 -3.341 -0.099 -9.250 1.00 0.00 O ATOM 407 CB TYR A 24 -3.185 -2.186 -11.233 1.00 0.00 C ATOM 408 CG TYR A 24 -1.961 -2.207 -12.120 1.00 0.00 C ATOM 409 CD1 TYR A 24 -0.791 -1.564 -11.731 1.00 0.00 C ATOM 410 CD2 TYR A 24 -1.968 -2.876 -13.337 1.00 0.00 C ATOM 411 CE1 TYR A 24 0.335 -1.586 -12.529 1.00 0.00 C ATOM 412 CE2 TYR A 24 -0.844 -2.903 -14.140 1.00 0.00 C ATOM 413 CZ TYR A 24 0.304 -2.255 -13.732 1.00 0.00 C ATOM 414 OH TYR A 24 1.425 -2.279 -14.531 1.00 0.00 O ATOM 0 H TYR A 24 -4.737 -3.301 -9.637 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.942 -2.996 -9.685 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.876 -2.965 -11.556 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.700 -1.233 -11.353 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.763 -1.038 -10.788 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.865 -3.383 -13.660 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.235 -1.081 -12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.864 -3.429 -15.083 1.00 0.00 H new ATOM 0 HH TYR A 24 1.237 -2.794 -15.343 1.00 0.00 H new ATOM 424 N VAL A 25 -1.470 -0.984 -8.362 1.00 0.00 N ATOM 425 CA VAL A 25 -1.072 0.241 -7.683 1.00 0.00 C ATOM 426 C VAL A 25 0.113 0.876 -8.392 1.00 0.00 C ATOM 427 O VAL A 25 1.066 0.189 -8.762 1.00 0.00 O ATOM 428 CB VAL A 25 -0.688 -0.014 -6.214 1.00 0.00 C ATOM 429 CG1 VAL A 25 -0.557 1.301 -5.462 1.00 0.00 C ATOM 430 CG2 VAL A 25 -1.704 -0.925 -5.542 1.00 0.00 C ATOM 0 H VAL A 25 -0.831 -1.767 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.931 0.911 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 25 0.279 -0.516 -6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.285 1.102 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.216 1.912 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.508 1.833 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.413 -1.092 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.688 -0.457 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.740 -1.880 -6.067 1.00 0.00 H new ATOM 440 N ILE A 26 0.056 2.185 -8.581 1.00 0.00 N ATOM 441 CA ILE A 26 1.136 2.896 -9.248 1.00 0.00 C ATOM 442 C ILE A 26 1.409 4.233 -8.570 1.00 0.00 C ATOM 443 O ILE A 26 0.566 5.130 -8.578 1.00 0.00 O ATOM 444 CB ILE A 26 0.818 3.132 -10.739 1.00 0.00 C ATOM 445 CG1 ILE A 26 0.104 1.914 -11.332 1.00 0.00 C ATOM 446 CG2 ILE A 26 2.092 3.428 -11.517 1.00 0.00 C ATOM 447 CD1 ILE A 26 -0.195 2.047 -12.810 1.00 0.00 C ATOM 0 H ILE A 26 -0.722 2.774 -8.284 1.00 0.00 H new ATOM 0 HA ILE A 26 2.025 2.270 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 26 0.157 3.995 -10.817 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.720 1.029 -11.173 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.830 1.753 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.848 3.592 -12.567 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.567 4.321 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.775 2.583 -11.431 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.701 1.148 -13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.837 2.912 -12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.737 2.177 -13.360 1.00 0.00 H new ATOM 459 N VAL A 27 2.595 4.358 -7.984 1.00 0.00 N ATOM 460 CA VAL A 27 2.985 5.582 -7.301 1.00 0.00 C ATOM 461 C VAL A 27 3.597 6.576 -8.279 1.00 0.00 C ATOM 462 O VAL A 27 4.743 6.420 -8.701 1.00 0.00 O ATOM 463 CB VAL A 27 4.002 5.301 -6.179 1.00 0.00 C ATOM 464 CG1 VAL A 27 4.216 6.541 -5.327 1.00 0.00 C ATOM 465 CG2 VAL A 27 3.542 4.129 -5.324 1.00 0.00 C ATOM 0 H VAL A 27 3.303 3.624 -7.969 1.00 0.00 H new ATOM 0 HA VAL A 27 2.080 6.005 -6.864 1.00 0.00 H new ATOM 0 HB VAL A 27 4.955 5.036 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.938 6.322 -4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.594 7.350 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.269 6.841 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.272 3.944 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.576 4.363 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.447 3.239 -5.947 1.00 0.00 H new ATOM 475 N SER A 28 2.828 7.597 -8.637 1.00 0.00 N ATOM 476 CA SER A 28 3.296 8.616 -9.566 1.00 0.00 C ATOM 477 C SER A 28 3.910 9.793 -8.819 1.00 0.00 C ATOM 478 O SER A 28 3.767 9.913 -7.602 1.00 0.00 O ATOM 479 CB SER A 28 2.144 9.101 -10.448 1.00 0.00 C ATOM 480 OG SER A 28 2.626 9.826 -11.567 1.00 0.00 O ATOM 0 H SER A 28 1.877 7.741 -8.297 1.00 0.00 H new ATOM 0 HA SER A 28 4.064 8.170 -10.197 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.559 8.247 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.475 9.732 -9.863 1.00 0.00 H new ATOM 0 HG SER A 28 1.870 10.123 -12.115 1.00 0.00 H new ATOM 486 N SER A 29 4.595 10.661 -9.557 1.00 0.00 N ATOM 487 CA SER A 29 5.235 11.834 -8.968 1.00 0.00 C ATOM 488 C SER A 29 4.268 12.594 -8.061 1.00 0.00 C ATOM 489 O SER A 29 3.203 13.029 -8.502 1.00 0.00 O ATOM 490 CB SER A 29 5.759 12.760 -10.067 1.00 0.00 C ATOM 491 OG SER A 29 7.093 13.161 -9.804 1.00 0.00 O ATOM 0 H SER A 29 4.722 10.575 -10.565 1.00 0.00 H new ATOM 0 HA SER A 29 6.072 11.490 -8.361 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.712 12.250 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.120 13.640 -10.141 1.00 0.00 H new ATOM 0 HG SER A 29 7.405 13.751 -10.522 1.00 0.00 H new ATOM 497 N LYS A 30 4.650 12.746 -6.795 1.00 0.00 N ATOM 498 CA LYS A 30 3.833 13.453 -5.805 1.00 0.00 C ATOM 499 C LYS A 30 2.354 13.078 -5.917 1.00 0.00 C ATOM 500 O LYS A 30 1.477 13.920 -5.725 1.00 0.00 O ATOM 501 CB LYS A 30 4.017 14.972 -5.943 1.00 0.00 C ATOM 502 CG LYS A 30 3.187 15.612 -7.050 1.00 0.00 C ATOM 503 CD LYS A 30 2.216 16.644 -6.495 1.00 0.00 C ATOM 504 CE LYS A 30 2.725 18.060 -6.707 1.00 0.00 C ATOM 505 NZ LYS A 30 2.012 18.746 -7.821 1.00 0.00 N ATOM 0 H LYS A 30 5.530 12.385 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 30 4.174 13.145 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.760 15.444 -4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.070 15.182 -6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.849 16.087 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.633 14.840 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.246 16.529 -6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.064 16.467 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.599 18.633 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.793 18.033 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.388 19.709 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.153 18.214 -8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.996 18.795 -7.605 1.00 0.00 H new ATOM 519 N LYS A 31 2.085 11.814 -6.227 1.00 0.00 N ATOM 520 CA LYS A 31 0.713 11.339 -6.358 1.00 0.00 C ATOM 521 C LYS A 31 0.665 9.820 -6.497 1.00 0.00 C ATOM 522 O LYS A 31 1.400 9.236 -7.293 1.00 0.00 O ATOM 523 CB LYS A 31 0.041 11.992 -7.569 1.00 0.00 C ATOM 524 CG LYS A 31 -1.432 11.640 -7.709 1.00 0.00 C ATOM 525 CD LYS A 31 -2.241 12.150 -6.528 1.00 0.00 C ATOM 526 CE LYS A 31 -2.248 13.670 -6.469 1.00 0.00 C ATOM 527 NZ LYS A 31 -3.620 14.226 -6.632 1.00 0.00 N ATOM 0 H LYS A 31 2.797 11.102 -6.392 1.00 0.00 H new ATOM 0 HA LYS A 31 0.174 11.617 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.142 13.074 -7.491 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.567 11.688 -8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.823 12.068 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.543 10.559 -7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.265 11.783 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.826 11.751 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.834 13.998 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.600 14.067 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.582 15.264 -6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.006 13.934 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.232 13.868 -5.871 1.00 0.00 H new ATOM 541 N ILE A 32 -0.209 9.188 -5.720 1.00 0.00 N ATOM 542 CA ILE A 32 -0.362 7.737 -5.757 1.00 0.00 C ATOM 543 C ILE A 32 -1.647 7.355 -6.480 1.00 0.00 C ATOM 544 O ILE A 32 -2.724 7.849 -6.152 1.00 0.00 O ATOM 545 CB ILE A 32 -0.384 7.133 -4.339 1.00 0.00 C ATOM 546 CG1 ILE A 32 0.683 7.791 -3.459 1.00 0.00 C ATOM 547 CG2 ILE A 32 -0.171 5.628 -4.400 1.00 0.00 C ATOM 548 CD1 ILE A 32 0.699 7.271 -2.039 1.00 0.00 C ATOM 0 H ILE A 32 -0.823 9.659 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 32 0.497 7.336 -6.294 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.361 7.326 -3.896 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.663 7.629 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.514 8.868 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.189 5.217 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.964 5.172 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.794 5.415 -4.861 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.479 7.781 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.268 7.457 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.898 6.199 -2.046 1.00 0.00 H new ATOM 560 N LEU A 33 -1.528 6.479 -7.472 1.00 0.00 N ATOM 561 CA LEU A 33 -2.686 6.043 -8.245 1.00 0.00 C ATOM 562 C LEU A 33 -3.061 4.603 -7.908 1.00 0.00 C ATOM 563 O LEU A 33 -2.195 3.753 -7.706 1.00 0.00 O ATOM 564 CB LEU A 33 -2.404 6.171 -9.742 1.00 0.00 C ATOM 565 CG LEU A 33 -1.618 7.418 -10.150 1.00 0.00 C ATOM 566 CD1 LEU A 33 -1.120 7.291 -11.581 1.00 0.00 C ATOM 567 CD2 LEU A 33 -2.478 8.663 -9.992 1.00 0.00 C ATOM 0 H LEU A 33 -0.645 6.058 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.526 6.687 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.852 5.290 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.354 6.168 -10.276 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.753 7.511 -9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.563 8.188 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.469 6.420 -11.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.970 7.174 -12.253 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.904 9.542 -10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.361 8.578 -10.625 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.786 8.763 -8.951 1.00 0.00 H new ATOM 579 N PHE A 34 -4.362 4.337 -7.856 1.00 0.00 N ATOM 580 CA PHE A 34 -4.862 3.002 -7.551 1.00 0.00 C ATOM 581 C PHE A 34 -5.891 2.564 -8.587 1.00 0.00 C ATOM 582 O PHE A 34 -6.858 3.276 -8.857 1.00 0.00 O ATOM 583 CB PHE A 34 -5.481 2.970 -6.154 1.00 0.00 C ATOM 584 CG PHE A 34 -5.124 1.743 -5.367 1.00 0.00 C ATOM 585 CD1 PHE A 34 -3.987 1.720 -4.572 1.00 0.00 C ATOM 586 CD2 PHE A 34 -5.923 0.612 -5.419 1.00 0.00 C ATOM 587 CE1 PHE A 34 -3.656 0.592 -3.846 1.00 0.00 C ATOM 588 CE2 PHE A 34 -5.597 -0.519 -4.695 1.00 0.00 C ATOM 589 CZ PHE A 34 -4.461 -0.529 -3.907 1.00 0.00 C ATOM 0 H PHE A 34 -5.091 5.031 -8.022 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.021 2.309 -7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.157 3.852 -5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.566 3.031 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.354 2.593 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.812 0.614 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.768 0.587 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.229 -1.394 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.203 -1.412 -3.340 1.00 0.00 H new ATOM 599 N TYR A 35 -5.673 1.388 -9.163 1.00 0.00 N ATOM 600 CA TYR A 35 -6.578 0.851 -10.172 1.00 0.00 C ATOM 601 C TYR A 35 -6.983 -0.579 -9.836 1.00 0.00 C ATOM 602 O TYR A 35 -6.509 -1.156 -8.859 1.00 0.00 O ATOM 603 CB TYR A 35 -5.919 0.892 -11.553 1.00 0.00 C ATOM 604 CG TYR A 35 -5.577 2.288 -12.024 1.00 0.00 C ATOM 605 CD1 TYR A 35 -4.446 2.942 -11.552 1.00 0.00 C ATOM 606 CD2 TYR A 35 -6.383 2.949 -12.940 1.00 0.00 C ATOM 607 CE1 TYR A 35 -4.129 4.217 -11.979 1.00 0.00 C ATOM 608 CE2 TYR A 35 -6.072 4.224 -13.374 1.00 0.00 C ATOM 609 CZ TYR A 35 -4.944 4.854 -12.891 1.00 0.00 C ATOM 610 OH TYR A 35 -4.632 6.123 -13.321 1.00 0.00 O ATOM 0 H TYR A 35 -4.877 0.788 -8.949 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.474 1.471 -10.184 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.008 0.293 -11.529 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.587 0.427 -12.278 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.804 2.446 -10.839 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.268 2.459 -13.320 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.247 4.712 -11.600 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.709 4.725 -14.088 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.308 6.426 -13.963 1.00 0.00 H new ATOM 620 N ASP A 36 -7.862 -1.144 -10.656 1.00 0.00 N ATOM 621 CA ASP A 36 -8.333 -2.508 -10.451 1.00 0.00 C ATOM 622 C ASP A 36 -7.789 -3.437 -11.532 1.00 0.00 C ATOM 623 O ASP A 36 -7.654 -4.642 -11.317 1.00 0.00 O ATOM 624 CB ASP A 36 -9.862 -2.548 -10.451 1.00 0.00 C ATOM 625 CG ASP A 36 -10.413 -3.616 -9.526 1.00 0.00 C ATOM 626 OD1 ASP A 36 -10.043 -3.616 -8.333 1.00 0.00 O ATOM 627 OD2 ASP A 36 -11.214 -4.451 -9.993 1.00 0.00 O ATOM 0 H ASP A 36 -8.263 -0.678 -11.470 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.968 -2.851 -9.483 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.248 -1.575 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.218 -2.731 -11.465 1.00 0.00 H new ATOM 632 N SER A 37 -7.478 -2.870 -12.693 1.00 0.00 N ATOM 633 CA SER A 37 -6.948 -3.648 -13.806 1.00 0.00 C ATOM 634 C SER A 37 -6.120 -2.767 -14.736 1.00 0.00 C ATOM 635 O SER A 37 -6.288 -1.548 -14.766 1.00 0.00 O ATOM 636 CB SER A 37 -8.088 -4.302 -14.586 1.00 0.00 C ATOM 637 OG SER A 37 -9.149 -4.675 -13.723 1.00 0.00 O ATOM 0 H SER A 37 -7.584 -1.874 -12.887 1.00 0.00 H new ATOM 0 HA SER A 37 -6.302 -4.427 -13.400 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.457 -3.611 -15.344 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.716 -5.182 -15.111 1.00 0.00 H new ATOM 0 HG SER A 37 -9.866 -5.090 -14.247 1.00 0.00 H new ATOM 643 N GLU A 38 -5.225 -3.392 -15.494 1.00 0.00 N ATOM 644 CA GLU A 38 -4.372 -2.663 -16.426 1.00 0.00 C ATOM 645 C GLU A 38 -5.207 -1.951 -17.485 1.00 0.00 C ATOM 646 O GLU A 38 -4.930 -0.806 -17.841 1.00 0.00 O ATOM 647 CB GLU A 38 -3.382 -3.616 -17.097 1.00 0.00 C ATOM 648 CG GLU A 38 -2.379 -2.915 -17.999 1.00 0.00 C ATOM 649 CD GLU A 38 -1.306 -2.183 -17.216 1.00 0.00 C ATOM 650 OE1 GLU A 38 -1.660 -1.419 -16.295 1.00 0.00 O ATOM 651 OE2 GLU A 38 -0.111 -2.373 -17.526 1.00 0.00 O ATOM 0 H GLU A 38 -5.072 -4.400 -15.481 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.818 -1.913 -15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.842 -4.167 -16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.936 -4.348 -17.684 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.909 -3.649 -18.654 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.904 -2.206 -18.639 1.00 0.00 H new ATOM 658 N GLN A 39 -6.231 -2.637 -17.984 1.00 0.00 N ATOM 659 CA GLN A 39 -7.107 -2.070 -19.002 1.00 0.00 C ATOM 660 C GLN A 39 -7.781 -0.801 -18.492 1.00 0.00 C ATOM 661 O GLN A 39 -7.867 0.198 -19.205 1.00 0.00 O ATOM 662 CB GLN A 39 -8.164 -3.092 -19.421 1.00 0.00 C ATOM 663 CG GLN A 39 -7.582 -4.337 -20.071 1.00 0.00 C ATOM 664 CD GLN A 39 -7.468 -5.499 -19.104 1.00 0.00 C ATOM 665 OE1 GLN A 39 -8.449 -6.190 -18.826 1.00 0.00 O ATOM 666 NE2 GLN A 39 -6.267 -5.724 -18.585 1.00 0.00 N ATOM 0 H GLN A 39 -6.474 -3.586 -17.700 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.498 -1.813 -19.869 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.741 -3.386 -18.544 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.858 -2.620 -20.116 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.209 -4.630 -20.913 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.596 -4.105 -20.473 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.480 -5.128 -18.842 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.131 -6.493 -17.929 1.00 0.00 H new ATOM 675 N ASP A 40 -8.256 -0.848 -17.252 1.00 0.00 N ATOM 676 CA ASP A 40 -8.921 0.298 -16.643 1.00 0.00 C ATOM 677 C ASP A 40 -7.963 1.478 -16.521 1.00 0.00 C ATOM 678 O ASP A 40 -8.380 2.636 -16.556 1.00 0.00 O ATOM 679 CB ASP A 40 -9.467 -0.075 -15.264 1.00 0.00 C ATOM 680 CG ASP A 40 -10.913 -0.528 -15.318 1.00 0.00 C ATOM 681 OD1 ASP A 40 -11.310 -1.123 -16.340 1.00 0.00 O ATOM 682 OD2 ASP A 40 -11.648 -0.285 -14.338 1.00 0.00 O ATOM 0 H ASP A 40 -8.193 -1.668 -16.649 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.751 0.590 -17.287 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.856 -0.870 -14.837 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.383 0.784 -14.598 1.00 0.00 H new ATOM 687 N LYS A 41 -6.677 1.176 -16.379 1.00 0.00 N ATOM 688 CA LYS A 41 -5.658 2.212 -16.254 1.00 0.00 C ATOM 689 C LYS A 41 -5.479 2.957 -17.573 1.00 0.00 C ATOM 690 O LYS A 41 -5.467 4.188 -17.604 1.00 0.00 O ATOM 691 CB LYS A 41 -4.329 1.595 -15.817 1.00 0.00 C ATOM 692 CG LYS A 41 -3.523 2.484 -14.883 1.00 0.00 C ATOM 693 CD LYS A 41 -3.010 3.726 -15.597 1.00 0.00 C ATOM 694 CE LYS A 41 -1.496 3.838 -15.505 1.00 0.00 C ATOM 695 NZ LYS A 41 -0.814 2.919 -16.456 1.00 0.00 N ATOM 0 H LYS A 41 -6.316 0.223 -16.348 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.986 2.924 -15.497 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.525 0.644 -15.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.731 1.376 -16.702 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.143 2.780 -14.036 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.681 1.921 -14.480 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.310 3.695 -16.644 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.468 4.613 -15.160 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.194 4.865 -15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.176 3.611 -14.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.216 3.025 -16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.082 1.937 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.099 3.152 -17.429 1.00 0.00 H new ATOM 709 N GLU A 42 -5.342 2.204 -18.659 1.00 0.00 N ATOM 710 CA GLU A 42 -5.165 2.793 -19.982 1.00 0.00 C ATOM 711 C GLU A 42 -6.339 3.702 -20.338 1.00 0.00 C ATOM 712 O GLU A 42 -6.196 4.632 -21.132 1.00 0.00 O ATOM 713 CB GLU A 42 -5.019 1.695 -21.036 1.00 0.00 C ATOM 714 CG GLU A 42 -3.813 0.797 -20.815 1.00 0.00 C ATOM 715 CD GLU A 42 -3.724 -0.320 -21.838 1.00 0.00 C ATOM 716 OE1 GLU A 42 -4.447 -1.326 -21.682 1.00 0.00 O ATOM 717 OE2 GLU A 42 -2.930 -0.189 -22.793 1.00 0.00 O ATOM 0 H GLU A 42 -5.350 1.184 -18.649 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.256 3.395 -19.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.921 1.083 -21.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.943 2.156 -22.021 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.904 1.398 -20.858 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.863 0.366 -19.815 1.00 0.00 H new ATOM 724 N GLN A 43 -7.499 3.425 -19.749 1.00 0.00 N ATOM 725 CA GLN A 43 -8.696 4.221 -20.008 1.00 0.00 C ATOM 726 C GLN A 43 -8.727 5.481 -19.144 1.00 0.00 C ATOM 727 O GLN A 43 -9.683 6.255 -19.200 1.00 0.00 O ATOM 728 CB GLN A 43 -9.950 3.381 -19.753 1.00 0.00 C ATOM 729 CG GLN A 43 -10.480 2.687 -20.997 1.00 0.00 C ATOM 730 CD GLN A 43 -11.773 3.297 -21.501 1.00 0.00 C ATOM 731 OE1 GLN A 43 -12.844 3.064 -20.941 1.00 0.00 O ATOM 732 NE2 GLN A 43 -11.679 4.087 -22.565 1.00 0.00 N ATOM 0 H GLN A 43 -7.636 2.658 -19.091 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.673 4.530 -21.053 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.726 2.630 -18.995 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.731 4.023 -19.345 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.728 2.737 -21.784 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.642 1.632 -20.778 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.771 4.253 -22.998 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.515 4.528 -22.949 1.00 0.00 H new ATOM 741 N SER A 44 -7.681 5.687 -18.345 1.00 0.00 N ATOM 742 CA SER A 44 -7.602 6.858 -17.477 1.00 0.00 C ATOM 743 C SER A 44 -8.728 6.851 -16.447 1.00 0.00 C ATOM 744 O SER A 44 -9.344 7.882 -16.177 1.00 0.00 O ATOM 745 CB SER A 44 -7.660 8.141 -18.308 1.00 0.00 C ATOM 746 OG SER A 44 -6.727 9.098 -17.835 1.00 0.00 O ATOM 0 H SER A 44 -6.879 5.060 -18.282 1.00 0.00 H new ATOM 0 HA SER A 44 -6.651 6.821 -16.946 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.452 7.911 -19.353 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.666 8.559 -18.268 1.00 0.00 H new ATOM 0 HG SER A 44 -6.783 9.908 -18.384 1.00 0.00 H new ATOM 752 N ASN A 45 -8.989 5.681 -15.872 1.00 0.00 N ATOM 753 CA ASN A 45 -10.039 5.540 -14.870 1.00 0.00 C ATOM 754 C ASN A 45 -9.458 5.070 -13.537 1.00 0.00 C ATOM 755 O ASN A 45 -9.514 3.884 -13.209 1.00 0.00 O ATOM 756 CB ASN A 45 -11.107 4.556 -15.358 1.00 0.00 C ATOM 757 CG ASN A 45 -12.502 5.149 -15.313 1.00 0.00 C ATOM 758 OD1 ASN A 45 -13.292 4.840 -14.420 1.00 0.00 O ATOM 759 ND2 ASN A 45 -12.813 6.007 -16.277 1.00 0.00 N ATOM 0 H ASN A 45 -8.488 4.818 -16.083 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.500 6.516 -14.717 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.877 4.251 -16.379 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.077 3.657 -14.743 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.737 6.438 -16.297 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.128 6.235 -16.998 1.00 0.00 H new ATOM 766 N PRO A 46 -8.888 5.998 -12.750 1.00 0.00 N ATOM 767 CA PRO A 46 -8.294 5.672 -11.449 1.00 0.00 C ATOM 768 C PRO A 46 -9.347 5.378 -10.386 1.00 0.00 C ATOM 769 O PRO A 46 -10.239 6.189 -10.140 1.00 0.00 O ATOM 770 CB PRO A 46 -7.514 6.938 -11.094 1.00 0.00 C ATOM 771 CG PRO A 46 -8.240 8.035 -11.793 1.00 0.00 C ATOM 772 CD PRO A 46 -8.777 7.435 -13.066 1.00 0.00 C ATOM 0 HA PRO A 46 -7.680 4.772 -11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.492 7.101 -10.016 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.478 6.872 -11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.049 8.424 -11.174 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.573 8.870 -12.007 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -9.743 7.863 -13.335 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.106 7.610 -13.907 1.00 0.00 H new ATOM 780 N TYR A 47 -9.233 4.212 -9.758 1.00 0.00 N ATOM 781 CA TYR A 47 -10.174 3.810 -8.718 1.00 0.00 C ATOM 782 C TYR A 47 -10.035 4.701 -7.489 1.00 0.00 C ATOM 783 O TYR A 47 -11.026 5.066 -6.857 1.00 0.00 O ATOM 784 CB TYR A 47 -9.946 2.347 -8.332 1.00 0.00 C ATOM 785 CG TYR A 47 -10.887 1.847 -7.258 1.00 0.00 C ATOM 786 CD1 TYR A 47 -10.728 2.234 -5.934 1.00 0.00 C ATOM 787 CD2 TYR A 47 -11.933 0.988 -7.570 1.00 0.00 C ATOM 788 CE1 TYR A 47 -11.584 1.779 -4.950 1.00 0.00 C ATOM 789 CE2 TYR A 47 -12.794 0.529 -6.591 1.00 0.00 C ATOM 790 CZ TYR A 47 -12.615 0.926 -5.283 1.00 0.00 C ATOM 791 OH TYR A 47 -13.470 0.470 -4.306 1.00 0.00 O ATOM 0 H TYR A 47 -8.500 3.530 -9.951 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.184 3.920 -9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.059 1.725 -9.220 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.919 2.227 -7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.922 2.902 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.076 0.674 -8.593 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.446 2.090 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.603 -0.138 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.141 -0.121 -4.708 1.00 0.00 H new ATOM 801 N MET A 48 -8.796 5.048 -7.155 1.00 0.00 N ATOM 802 CA MET A 48 -8.522 5.896 -6.002 1.00 0.00 C ATOM 803 C MET A 48 -7.083 6.399 -6.029 1.00 0.00 C ATOM 804 O MET A 48 -6.175 5.682 -6.450 1.00 0.00 O ATOM 805 CB MET A 48 -8.784 5.129 -4.704 1.00 0.00 C ATOM 806 CG MET A 48 -8.619 5.974 -3.451 1.00 0.00 C ATOM 807 SD MET A 48 -6.910 6.051 -2.882 1.00 0.00 S ATOM 808 CE MET A 48 -6.527 4.310 -2.714 1.00 0.00 C ATOM 0 H MET A 48 -7.965 4.754 -7.668 1.00 0.00 H new ATOM 0 HA MET A 48 -9.190 6.756 -6.047 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.796 4.726 -4.729 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.103 4.279 -4.651 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.977 6.984 -3.650 1.00 0.00 H new ATOM 0 HG3 MET A 48 -9.244 5.565 -2.657 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.916 4.156 -1.824 1.00 0.00 H new ATOM 0 HE2 MET A 48 -7.452 3.741 -2.622 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.979 3.971 -3.593 1.00 0.00 H new ATOM 818 N VAL A 49 -6.881 7.633 -5.581 1.00 0.00 N ATOM 819 CA VAL A 49 -5.553 8.226 -5.557 1.00 0.00 C ATOM 820 C VAL A 49 -5.214 8.761 -4.170 1.00 0.00 C ATOM 821 O VAL A 49 -6.077 9.282 -3.465 1.00 0.00 O ATOM 822 CB VAL A 49 -5.425 9.374 -6.578 1.00 0.00 C ATOM 823 CG1 VAL A 49 -5.190 8.823 -7.976 1.00 0.00 C ATOM 824 CG2 VAL A 49 -6.660 10.262 -6.545 1.00 0.00 C ATOM 0 H VAL A 49 -7.621 8.241 -5.230 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.853 7.434 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.563 9.983 -6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.102 9.648 -8.682 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.271 8.237 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.028 8.188 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.550 11.066 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.541 9.669 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.775 10.688 -5.548 1.00 0.00 H new ATOM 834 N LEU A 50 -3.949 8.627 -3.789 1.00 0.00 N ATOM 835 CA LEU A 50 -3.486 9.096 -2.487 1.00 0.00 C ATOM 836 C LEU A 50 -2.372 10.126 -2.647 1.00 0.00 C ATOM 837 O LEU A 50 -1.476 9.963 -3.475 1.00 0.00 O ATOM 838 CB LEU A 50 -2.991 7.919 -1.645 1.00 0.00 C ATOM 839 CG LEU A 50 -4.081 7.159 -0.890 1.00 0.00 C ATOM 840 CD1 LEU A 50 -3.742 5.680 -0.805 1.00 0.00 C ATOM 841 CD2 LEU A 50 -4.270 7.744 0.501 1.00 0.00 C ATOM 0 H LEU A 50 -3.224 8.197 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.325 9.570 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.468 7.220 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.262 8.289 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.017 7.264 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.530 5.157 -0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.657 5.268 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.795 5.553 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.050 7.191 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.336 7.669 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.560 8.791 0.419 1.00 0.00 H new ATOM 853 N ASP A 51 -2.436 11.187 -1.848 1.00 0.00 N ATOM 854 CA ASP A 51 -1.433 12.244 -1.902 1.00 0.00 C ATOM 855 C ASP A 51 -0.170 11.836 -1.151 1.00 0.00 C ATOM 856 O ASP A 51 -0.195 11.638 0.063 1.00 0.00 O ATOM 857 CB ASP A 51 -1.996 13.539 -1.312 1.00 0.00 C ATOM 858 CG ASP A 51 -3.079 14.147 -2.181 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.975 13.398 -2.624 1.00 0.00 O ATOM 860 OD2 ASP A 51 -3.032 15.373 -2.417 1.00 0.00 O ATOM 0 H ASP A 51 -3.171 11.337 -1.157 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.173 12.411 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.400 13.337 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.188 14.259 -1.186 1.00 0.00 H new ATOM 865 N ILE A 52 0.933 11.712 -1.882 1.00 0.00 N ATOM 866 CA ILE A 52 2.207 11.328 -1.284 1.00 0.00 C ATOM 867 C ILE A 52 2.616 12.309 -0.189 1.00 0.00 C ATOM 868 O ILE A 52 3.150 11.912 0.846 1.00 0.00 O ATOM 869 CB ILE A 52 3.326 11.257 -2.342 1.00 0.00 C ATOM 870 CG1 ILE A 52 2.920 10.318 -3.481 1.00 0.00 C ATOM 871 CG2 ILE A 52 4.634 10.798 -1.708 1.00 0.00 C ATOM 872 CD1 ILE A 52 4.013 10.096 -4.504 1.00 0.00 C ATOM 0 H ILE A 52 0.971 11.872 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 52 2.068 10.339 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 52 3.479 12.255 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.627 9.356 -3.060 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.043 10.727 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.412 10.754 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.928 11.502 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.499 9.809 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.653 9.421 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.290 11.050 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.884 9.657 -4.017 1.00 0.00 H new ATOM 884 N ASP A 53 2.363 13.591 -0.427 1.00 0.00 N ATOM 885 CA ASP A 53 2.706 14.630 0.535 1.00 0.00 C ATOM 886 C ASP A 53 1.899 14.468 1.820 1.00 0.00 C ATOM 887 O ASP A 53 2.367 14.809 2.906 1.00 0.00 O ATOM 888 CB ASP A 53 2.460 16.011 -0.074 1.00 0.00 C ATOM 889 CG ASP A 53 2.751 17.139 0.898 1.00 0.00 C ATOM 890 OD1 ASP A 53 2.016 17.264 1.900 1.00 0.00 O ATOM 891 OD2 ASP A 53 3.712 17.900 0.655 1.00 0.00 O ATOM 0 H ASP A 53 1.921 13.935 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 53 3.763 14.534 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.084 16.130 -0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.423 16.079 -0.403 1.00 0.00 H new ATOM 896 N LYS A 54 0.686 13.943 1.687 1.00 0.00 N ATOM 897 CA LYS A 54 -0.186 13.734 2.837 1.00 0.00 C ATOM 898 C LYS A 54 0.330 12.597 3.716 1.00 0.00 C ATOM 899 O LYS A 54 0.010 12.526 4.902 1.00 0.00 O ATOM 900 CB LYS A 54 -1.611 13.433 2.373 1.00 0.00 C ATOM 901 CG LYS A 54 -2.445 14.679 2.123 1.00 0.00 C ATOM 902 CD LYS A 54 -3.924 14.414 2.355 1.00 0.00 C ATOM 903 CE LYS A 54 -4.650 15.672 2.806 1.00 0.00 C ATOM 904 NZ LYS A 54 -6.037 15.379 3.261 1.00 0.00 N ATOM 0 H LYS A 54 0.284 13.655 0.795 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.190 14.649 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.569 12.844 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.107 12.819 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.110 15.481 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.292 15.022 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.377 14.041 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.042 13.635 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.093 16.141 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.681 16.388 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.340 16.105 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.679 15.382 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.062 14.445 3.718 1.00 0.00 H new ATOM 918 N LEU A 55 1.127 11.708 3.126 1.00 0.00 N ATOM 919 CA LEU A 55 1.684 10.578 3.861 1.00 0.00 C ATOM 920 C LEU A 55 2.433 11.050 5.103 1.00 0.00 C ATOM 921 O LEU A 55 3.163 12.038 5.061 1.00 0.00 O ATOM 922 CB LEU A 55 2.626 9.770 2.965 1.00 0.00 C ATOM 923 CG LEU A 55 1.998 9.234 1.678 1.00 0.00 C ATOM 924 CD1 LEU A 55 2.985 8.348 0.934 1.00 0.00 C ATOM 925 CD2 LEU A 55 0.717 8.471 1.984 1.00 0.00 C ATOM 0 H LEU A 55 1.400 11.749 2.144 1.00 0.00 H new ATOM 0 HA LEU A 55 0.856 9.942 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.478 10.397 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.015 8.929 3.539 1.00 0.00 H new ATOM 0 HG LEU A 55 1.746 10.080 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.522 7.975 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.874 8.926 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.268 7.507 1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.285 8.098 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.942 7.632 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.005 9.136 2.473 1.00 0.00 H new ATOM 937 N PHE A 56 2.247 10.332 6.205 1.00 0.00 N ATOM 938 CA PHE A 56 2.905 10.677 7.458 1.00 0.00 C ATOM 939 C PHE A 56 4.095 9.761 7.718 1.00 0.00 C ATOM 940 O PHE A 56 5.077 10.164 8.341 1.00 0.00 O ATOM 941 CB PHE A 56 1.914 10.588 8.621 1.00 0.00 C ATOM 942 CG PHE A 56 1.057 11.811 8.771 1.00 0.00 C ATOM 943 CD1 PHE A 56 1.619 13.077 8.730 1.00 0.00 C ATOM 944 CD2 PHE A 56 -0.311 11.697 8.956 1.00 0.00 C ATOM 945 CE1 PHE A 56 0.833 14.205 8.869 1.00 0.00 C ATOM 946 CE2 PHE A 56 -1.103 12.821 9.095 1.00 0.00 C ATOM 947 CZ PHE A 56 -0.530 14.076 9.052 1.00 0.00 C ATOM 0 H PHE A 56 1.647 9.509 6.255 1.00 0.00 H new ATOM 0 HA PHE A 56 3.269 11.701 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.272 9.719 8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.466 10.425 9.547 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.684 13.183 8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.764 10.717 8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.284 15.186 8.835 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.169 12.718 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.147 14.956 9.161 1.00 0.00 H new ATOM 957 N HIS A 57 4.001 8.525 7.236 1.00 0.00 N ATOM 958 CA HIS A 57 5.074 7.554 7.418 1.00 0.00 C ATOM 959 C HIS A 57 4.749 6.238 6.718 1.00 0.00 C ATOM 960 O HIS A 57 3.605 5.783 6.726 1.00 0.00 O ATOM 961 CB HIS A 57 5.317 7.307 8.909 1.00 0.00 C ATOM 962 CG HIS A 57 6.766 7.252 9.279 1.00 0.00 C ATOM 963 ND1 HIS A 57 7.726 8.043 8.683 1.00 0.00 N ATOM 964 CD2 HIS A 57 7.420 6.496 10.192 1.00 0.00 C ATOM 965 CE1 HIS A 57 8.906 7.774 9.213 1.00 0.00 C ATOM 966 NE2 HIS A 57 8.747 6.840 10.131 1.00 0.00 N ATOM 0 H HIS A 57 3.196 8.174 6.718 1.00 0.00 H new ATOM 0 HA HIS A 57 5.979 7.964 6.971 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.834 8.098 9.483 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.842 6.369 9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.979 5.759 10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.842 8.240 8.941 1.00 0.00 H new ATOM 0 HE2 HIS A 57 9.490 6.439 10.703 1.00 0.00 H new ATOM 975 N VAL A 58 5.768 5.629 6.119 1.00 0.00 N ATOM 976 CA VAL A 58 5.601 4.362 5.418 1.00 0.00 C ATOM 977 C VAL A 58 6.609 3.332 5.919 1.00 0.00 C ATOM 978 O VAL A 58 7.814 3.481 5.714 1.00 0.00 O ATOM 979 CB VAL A 58 5.772 4.532 3.896 1.00 0.00 C ATOM 980 CG1 VAL A 58 5.431 3.240 3.168 1.00 0.00 C ATOM 981 CG2 VAL A 58 4.916 5.685 3.386 1.00 0.00 C ATOM 0 H VAL A 58 6.720 5.994 6.106 1.00 0.00 H new ATOM 0 HA VAL A 58 4.588 4.014 5.622 1.00 0.00 H new ATOM 0 HB VAL A 58 6.816 4.768 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.559 3.382 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.093 2.444 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.397 2.966 3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.050 5.789 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.867 5.483 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.218 6.608 3.880 1.00 0.00 H new ATOM 991 N ARG A 59 6.111 2.293 6.581 1.00 0.00 N ATOM 992 CA ARG A 59 6.978 1.247 7.115 1.00 0.00 C ATOM 993 C ARG A 59 6.285 -0.112 7.091 1.00 0.00 C ATOM 994 O ARG A 59 5.060 -0.192 6.990 1.00 0.00 O ATOM 995 CB ARG A 59 7.399 1.591 8.547 1.00 0.00 C ATOM 996 CG ARG A 59 8.611 2.503 8.622 1.00 0.00 C ATOM 997 CD ARG A 59 9.909 1.716 8.545 1.00 0.00 C ATOM 998 NE ARG A 59 11.062 2.517 8.949 1.00 0.00 N ATOM 999 CZ ARG A 59 11.657 3.411 8.161 1.00 0.00 C ATOM 1000 NH1 ARG A 59 11.210 3.622 6.929 1.00 0.00 N ATOM 1001 NH2 ARG A 59 12.701 4.097 8.607 1.00 0.00 N ATOM 0 H ARG A 59 5.117 2.152 6.760 1.00 0.00 H new ATOM 0 HA ARG A 59 7.863 1.189 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.563 2.069 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.615 0.668 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.574 3.226 7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.583 3.070 9.552 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.837 0.836 9.184 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.056 1.358 7.526 1.00 0.00 H new ATOM 0 HE ARG A 59 11.433 2.384 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.407 3.098 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.670 4.308 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.048 3.940 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.157 4.782 8.004 1.00 0.00 H new ATOM 1015 N PRO A 60 7.064 -1.205 7.183 1.00 0.00 N ATOM 1016 CA PRO A 60 6.521 -2.568 7.172 1.00 0.00 C ATOM 1017 C PRO A 60 5.653 -2.855 8.393 1.00 0.00 C ATOM 1018 O PRO A 60 5.675 -2.109 9.371 1.00 0.00 O ATOM 1019 CB PRO A 60 7.768 -3.456 7.184 1.00 0.00 C ATOM 1020 CG PRO A 60 8.845 -2.597 7.753 1.00 0.00 C ATOM 1021 CD PRO A 60 8.533 -1.198 7.306 1.00 0.00 C ATOM 0 HA PRO A 60 5.872 -2.737 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 60 7.612 -4.348 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.022 -3.794 6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.865 -2.664 8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 60 9.826 -2.912 7.396 1.00 0.00 H new ATOM 0 HD2 PRO A 60 8.873 -0.458 8.031 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.016 -0.961 6.358 1.00 0.00 H new ATOM 1029 N VAL A 61 4.890 -3.942 8.328 1.00 0.00 N ATOM 1030 CA VAL A 61 4.016 -4.327 9.430 1.00 0.00 C ATOM 1031 C VAL A 61 4.598 -5.503 10.206 1.00 0.00 C ATOM 1032 O VAL A 61 5.642 -6.045 9.842 1.00 0.00 O ATOM 1033 CB VAL A 61 2.606 -4.702 8.929 1.00 0.00 C ATOM 1034 CG1 VAL A 61 1.942 -3.508 8.255 1.00 0.00 C ATOM 1035 CG2 VAL A 61 2.670 -5.893 7.983 1.00 0.00 C ATOM 0 H VAL A 61 4.860 -4.570 7.525 1.00 0.00 H new ATOM 0 HA VAL A 61 3.939 -3.462 10.089 1.00 0.00 H new ATOM 0 HB VAL A 61 2.000 -4.987 9.789 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.948 -3.792 7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.857 -2.688 8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.545 -3.188 7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.665 -6.141 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.293 -5.643 7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.097 -6.749 8.505 1.00 0.00 H new ATOM 1045 N THR A 62 3.916 -5.896 11.277 1.00 0.00 N ATOM 1046 CA THR A 62 4.365 -7.008 12.104 1.00 0.00 C ATOM 1047 C THR A 62 3.233 -8.003 12.339 1.00 0.00 C ATOM 1048 O THR A 62 2.129 -7.834 11.822 1.00 0.00 O ATOM 1049 CB THR A 62 4.894 -6.495 13.444 1.00 0.00 C ATOM 1050 OG1 THR A 62 3.911 -5.723 14.109 1.00 0.00 O ATOM 1051 CG2 THR A 62 6.136 -5.642 13.310 1.00 0.00 C ATOM 0 H THR A 62 3.049 -5.460 11.592 1.00 0.00 H new ATOM 0 HA THR A 62 5.170 -7.518 11.575 1.00 0.00 H new ATOM 0 HB THR A 62 5.147 -7.388 14.015 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.268 -5.406 14.965 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.458 -5.311 14.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.930 -6.226 12.846 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.915 -4.773 12.690 1.00 0.00 H new ATOM 1059 N GLN A 63 3.515 -9.039 13.122 1.00 0.00 N ATOM 1060 CA GLN A 63 2.518 -10.060 13.426 1.00 0.00 C ATOM 1061 C GLN A 63 1.303 -9.452 14.124 1.00 0.00 C ATOM 1062 O GLN A 63 0.224 -10.043 14.133 1.00 0.00 O ATOM 1063 CB GLN A 63 3.126 -11.155 14.301 1.00 0.00 C ATOM 1064 CG GLN A 63 2.328 -12.448 14.298 1.00 0.00 C ATOM 1065 CD GLN A 63 2.578 -13.284 13.057 1.00 0.00 C ATOM 1066 OE1 GLN A 63 3.708 -13.693 12.786 1.00 0.00 O ATOM 1067 NE2 GLN A 63 1.521 -13.543 12.295 1.00 0.00 N ATOM 0 H GLN A 63 4.424 -9.194 13.557 1.00 0.00 H new ATOM 0 HA GLN A 63 2.190 -10.498 12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 63 4.139 -11.362 13.957 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.205 -10.789 15.325 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.585 -13.031 15.182 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.265 -12.215 14.367 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.603 -13.184 12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.628 -14.101 11.448 1.00 0.00 H new ATOM 1076 N THR A 64 1.483 -8.270 14.708 1.00 0.00 N ATOM 1077 CA THR A 64 0.398 -7.591 15.405 1.00 0.00 C ATOM 1078 C THR A 64 -0.609 -7.010 14.416 1.00 0.00 C ATOM 1079 O THR A 64 -1.775 -6.804 14.754 1.00 0.00 O ATOM 1080 CB THR A 64 0.955 -6.480 16.296 1.00 0.00 C ATOM 1081 OG1 THR A 64 1.549 -5.460 15.513 1.00 0.00 O ATOM 1082 CG2 THR A 64 1.994 -6.967 17.281 1.00 0.00 C ATOM 0 H THR A 64 2.369 -7.765 14.712 1.00 0.00 H new ATOM 0 HA THR A 64 -0.115 -8.324 16.027 1.00 0.00 H new ATOM 0 HB THR A 64 0.099 -6.101 16.854 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.380 -5.794 15.116 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.347 -6.129 17.881 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.552 -7.720 17.934 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.833 -7.404 16.739 1.00 0.00 H new ATOM 1090 N ASP A 65 -0.154 -6.746 13.194 1.00 0.00 N ATOM 1091 CA ASP A 65 -1.018 -6.185 12.162 1.00 0.00 C ATOM 1092 C ASP A 65 -2.124 -7.165 11.781 1.00 0.00 C ATOM 1093 O ASP A 65 -3.249 -6.761 11.486 1.00 0.00 O ATOM 1094 CB ASP A 65 -0.197 -5.820 10.924 1.00 0.00 C ATOM 1095 CG ASP A 65 -0.975 -4.960 9.947 1.00 0.00 C ATOM 1096 OD1 ASP A 65 -1.653 -4.015 10.398 1.00 0.00 O ATOM 1097 OD2 ASP A 65 -0.906 -5.233 8.730 1.00 0.00 O ATOM 0 H ASP A 65 0.807 -6.912 12.895 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.481 -5.283 12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.704 -5.290 11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.126 -6.733 10.423 1.00 0.00 H new ATOM 1102 N VAL A 66 -1.798 -8.454 11.787 1.00 0.00 N ATOM 1103 CA VAL A 66 -2.768 -9.487 11.440 1.00 0.00 C ATOM 1104 C VAL A 66 -2.505 -10.775 12.208 1.00 0.00 C ATOM 1105 O VAL A 66 -1.371 -11.071 12.579 1.00 0.00 O ATOM 1106 CB VAL A 66 -2.758 -9.800 9.929 1.00 0.00 C ATOM 1107 CG1 VAL A 66 -3.763 -8.925 9.199 1.00 0.00 C ATOM 1108 CG2 VAL A 66 -1.362 -9.624 9.347 1.00 0.00 C ATOM 0 H VAL A 66 -0.872 -8.807 12.028 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.746 -9.092 11.715 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.048 -10.842 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.743 -9.158 8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.762 -9.112 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.506 -7.876 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.381 -9.850 8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.034 -8.595 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.670 -10.300 9.849 1.00 0.00 H new ATOM 1118 N TYR A 67 -3.567 -11.538 12.444 1.00 0.00 N ATOM 1119 CA TYR A 67 -3.459 -12.798 13.167 1.00 0.00 C ATOM 1120 C TYR A 67 -3.621 -13.984 12.223 1.00 0.00 C ATOM 1121 O TYR A 67 -2.813 -14.914 12.233 1.00 0.00 O ATOM 1122 CB TYR A 67 -4.514 -12.862 14.272 1.00 0.00 C ATOM 1123 CG TYR A 67 -5.906 -12.505 13.801 1.00 0.00 C ATOM 1124 CD1 TYR A 67 -6.328 -11.182 13.762 1.00 0.00 C ATOM 1125 CD2 TYR A 67 -6.798 -13.490 13.397 1.00 0.00 C ATOM 1126 CE1 TYR A 67 -7.599 -10.851 13.332 1.00 0.00 C ATOM 1127 CE2 TYR A 67 -8.070 -13.168 12.965 1.00 0.00 C ATOM 1128 CZ TYR A 67 -8.467 -11.847 12.935 1.00 0.00 C ATOM 1129 OH TYR A 67 -9.732 -11.522 12.506 1.00 0.00 O ATOM 0 H TYR A 67 -4.514 -11.304 12.144 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.467 -12.849 13.615 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.528 -13.868 14.691 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.227 -12.185 15.077 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.652 -10.399 14.073 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.492 -14.525 13.421 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.911 -9.817 13.307 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.750 -13.946 12.652 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.215 -12.339 12.262 1.00 0.00 H new ATOM 1139 N ARG A 68 -4.668 -13.945 11.406 1.00 0.00 N ATOM 1140 CA ARG A 68 -4.935 -15.015 10.452 1.00 0.00 C ATOM 1141 C ARG A 68 -3.842 -15.087 9.391 1.00 0.00 C ATOM 1142 O ARG A 68 -3.602 -16.143 8.805 1.00 0.00 O ATOM 1143 CB ARG A 68 -6.295 -14.804 9.786 1.00 0.00 C ATOM 1144 CG ARG A 68 -6.451 -13.435 9.141 1.00 0.00 C ATOM 1145 CD ARG A 68 -6.508 -13.534 7.625 1.00 0.00 C ATOM 1146 NE ARG A 68 -6.744 -12.233 7.002 1.00 0.00 N ATOM 1147 CZ ARG A 68 -5.797 -11.319 6.810 1.00 0.00 C ATOM 1148 NH1 ARG A 68 -4.548 -11.557 7.193 1.00 0.00 N ATOM 1149 NH2 ARG A 68 -6.096 -10.164 6.233 1.00 0.00 N ATOM 0 H ARG A 68 -5.346 -13.183 11.385 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.947 -15.958 10.998 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.442 -15.573 9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.080 -14.937 10.531 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.360 -12.960 9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.617 -12.797 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.572 -13.950 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.301 -14.224 7.336 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.692 -12.013 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.311 -12.444 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.826 -10.853 7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.053 -9.975 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.369 -9.464 6.086 1.00 0.00 H new ATOM 1163 N ALA A 69 -3.181 -13.959 9.149 1.00 0.00 N ATOM 1164 CA ALA A 69 -2.111 -13.896 8.158 1.00 0.00 C ATOM 1165 C ALA A 69 -1.036 -14.940 8.441 1.00 0.00 C ATOM 1166 O ALA A 69 -1.156 -15.733 9.375 1.00 0.00 O ATOM 1167 CB ALA A 69 -1.504 -12.502 8.129 1.00 0.00 C ATOM 0 H ALA A 69 -3.367 -13.076 9.625 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.540 -14.115 7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.707 -12.468 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.274 -11.775 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.095 -12.263 9.111 1.00 0.00 H new ATOM 1173 N ASP A 70 0.017 -14.934 7.628 1.00 0.00 N ATOM 1174 CA ASP A 70 1.115 -15.879 7.791 1.00 0.00 C ATOM 1175 C ASP A 70 2.418 -15.148 8.095 1.00 0.00 C ATOM 1176 O ASP A 70 2.698 -14.095 7.523 1.00 0.00 O ATOM 1177 CB ASP A 70 1.274 -16.729 6.528 1.00 0.00 C ATOM 1178 CG ASP A 70 1.528 -18.189 6.843 1.00 0.00 C ATOM 1179 OD1 ASP A 70 2.682 -18.533 7.173 1.00 0.00 O ATOM 1180 OD2 ASP A 70 0.573 -18.991 6.759 1.00 0.00 O ATOM 0 H ASP A 70 0.132 -14.285 6.850 1.00 0.00 H new ATOM 0 HA ASP A 70 0.881 -16.532 8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.374 -16.643 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.100 -16.339 5.933 1.00 0.00 H new ATOM 1185 N ALA A 71 3.211 -15.712 9.002 1.00 0.00 N ATOM 1186 CA ALA A 71 4.486 -15.117 9.388 1.00 0.00 C ATOM 1187 C ALA A 71 5.325 -14.751 8.166 1.00 0.00 C ATOM 1188 O ALA A 71 6.147 -13.836 8.218 1.00 0.00 O ATOM 1189 CB ALA A 71 5.258 -16.066 10.292 1.00 0.00 C ATOM 0 H ALA A 71 2.991 -16.583 9.485 1.00 0.00 H new ATOM 0 HA ALA A 71 4.273 -14.198 9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.207 -15.610 10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.674 -16.269 11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.447 -17.000 9.763 1.00 0.00 H new ATOM 1195 N LYS A 72 5.114 -15.469 7.068 1.00 0.00 N ATOM 1196 CA LYS A 72 5.854 -15.217 5.838 1.00 0.00 C ATOM 1197 C LYS A 72 5.300 -13.998 5.105 1.00 0.00 C ATOM 1198 O LYS A 72 6.032 -13.293 4.413 1.00 0.00 O ATOM 1199 CB LYS A 72 5.798 -16.444 4.924 1.00 0.00 C ATOM 1200 CG LYS A 72 6.759 -17.548 5.328 1.00 0.00 C ATOM 1201 CD LYS A 72 6.863 -18.619 4.254 1.00 0.00 C ATOM 1202 CE LYS A 72 7.110 -19.991 4.858 1.00 0.00 C ATOM 1203 NZ LYS A 72 6.687 -21.086 3.941 1.00 0.00 N ATOM 0 H LYS A 72 4.437 -16.229 7.005 1.00 0.00 H new ATOM 0 HA LYS A 72 6.892 -15.016 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.783 -16.840 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.021 -16.136 3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.745 -17.123 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.424 -17.999 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.944 -18.638 3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.673 -18.371 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.170 -20.100 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.568 -20.076 5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.872 -22.006 4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.670 -20.997 3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.223 -21.021 3.052 1.00 0.00 H new ATOM 1217 N GLU A 73 4.002 -13.758 5.261 1.00 0.00 N ATOM 1218 CA GLU A 73 3.350 -12.626 4.612 1.00 0.00 C ATOM 1219 C GLU A 73 3.607 -11.329 5.375 1.00 0.00 C ATOM 1220 O GLU A 73 3.735 -10.262 4.775 1.00 0.00 O ATOM 1221 CB GLU A 73 1.844 -12.874 4.499 1.00 0.00 C ATOM 1222 CG GLU A 73 1.496 -14.251 3.957 1.00 0.00 C ATOM 1223 CD GLU A 73 1.824 -14.399 2.485 1.00 0.00 C ATOM 1224 OE1 GLU A 73 1.354 -13.561 1.685 1.00 0.00 O ATOM 1225 OE2 GLU A 73 2.549 -15.351 2.131 1.00 0.00 O ATOM 0 H GLU A 73 3.381 -14.332 5.831 1.00 0.00 H new ATOM 0 HA GLU A 73 3.773 -12.524 3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.389 -12.753 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.406 -12.115 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.038 -15.008 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.433 -14.439 4.109 1.00 0.00 H new ATOM 1232 N ILE A 74 3.676 -11.426 6.700 1.00 0.00 N ATOM 1233 CA ILE A 74 3.913 -10.257 7.544 1.00 0.00 C ATOM 1234 C ILE A 74 5.064 -9.398 7.013 1.00 0.00 C ATOM 1235 O ILE A 74 4.900 -8.194 6.815 1.00 0.00 O ATOM 1236 CB ILE A 74 4.211 -10.660 9.004 1.00 0.00 C ATOM 1237 CG1 ILE A 74 3.145 -11.629 9.525 1.00 0.00 C ATOM 1238 CG2 ILE A 74 4.284 -9.424 9.889 1.00 0.00 C ATOM 1239 CD1 ILE A 74 1.726 -11.151 9.304 1.00 0.00 C ATOM 0 H ILE A 74 3.571 -12.301 7.213 1.00 0.00 H new ATOM 0 HA ILE A 74 2.995 -9.670 7.519 1.00 0.00 H new ATOM 0 HB ILE A 74 5.176 -11.166 9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.274 -12.594 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.303 -11.789 10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.495 -9.724 10.916 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.078 -8.768 9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.332 -8.894 9.854 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.028 -11.889 9.699 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.578 -10.201 9.817 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.549 -11.018 8.237 1.00 0.00 H new ATOM 1251 N PRO A 75 6.246 -9.998 6.772 1.00 0.00 N ATOM 1252 CA PRO A 75 7.410 -9.261 6.262 1.00 0.00 C ATOM 1253 C PRO A 75 7.207 -8.761 4.834 1.00 0.00 C ATOM 1254 O PRO A 75 7.963 -7.917 4.353 1.00 0.00 O ATOM 1255 CB PRO A 75 8.538 -10.294 6.310 1.00 0.00 C ATOM 1256 CG PRO A 75 7.847 -11.611 6.245 1.00 0.00 C ATOM 1257 CD PRO A 75 6.547 -11.428 6.976 1.00 0.00 C ATOM 0 HA PRO A 75 7.609 -8.365 6.850 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.227 -10.167 5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.124 -10.199 7.224 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.675 -11.912 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.450 -12.392 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.763 -12.067 6.570 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.642 -11.673 8.034 1.00 0.00 H new ATOM 1265 N ARG A 76 6.188 -9.284 4.159 1.00 0.00 N ATOM 1266 CA ARG A 76 5.897 -8.884 2.786 1.00 0.00 C ATOM 1267 C ARG A 76 4.746 -7.880 2.730 1.00 0.00 C ATOM 1268 O ARG A 76 4.250 -7.555 1.652 1.00 0.00 O ATOM 1269 CB ARG A 76 5.557 -10.111 1.939 1.00 0.00 C ATOM 1270 CG ARG A 76 6.630 -11.188 1.973 1.00 0.00 C ATOM 1271 CD ARG A 76 6.451 -12.194 0.847 1.00 0.00 C ATOM 1272 NE ARG A 76 6.013 -13.497 1.342 1.00 0.00 N ATOM 1273 CZ ARG A 76 6.134 -14.630 0.654 1.00 0.00 C ATOM 1274 NH1 ARG A 76 6.675 -14.625 -0.559 1.00 0.00 N ATOM 1275 NH2 ARG A 76 5.711 -15.772 1.177 1.00 0.00 N ATOM 0 H ARG A 76 5.551 -9.984 4.539 1.00 0.00 H new ATOM 0 HA ARG A 76 6.788 -8.402 2.384 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.616 -10.535 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.400 -9.798 0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.614 -10.725 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.597 -11.705 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.721 -11.813 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.392 -12.308 0.310 1.00 0.00 H new ATOM 0 HE ARG A 76 5.590 -13.541 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.001 -13.749 -0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.765 -15.497 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.292 -15.783 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.804 -16.640 0.649 1.00 0.00 H new ATOM 1289 N ILE A 77 4.326 -7.390 3.893 1.00 0.00 N ATOM 1290 CA ILE A 77 3.237 -6.424 3.968 1.00 0.00 C ATOM 1291 C ILE A 77 3.712 -5.115 4.592 1.00 0.00 C ATOM 1292 O ILE A 77 4.330 -5.114 5.656 1.00 0.00 O ATOM 1293 CB ILE A 77 2.051 -6.978 4.786 1.00 0.00 C ATOM 1294 CG1 ILE A 77 1.539 -8.277 4.162 1.00 0.00 C ATOM 1295 CG2 ILE A 77 0.931 -5.951 4.875 1.00 0.00 C ATOM 1296 CD1 ILE A 77 0.810 -9.175 5.140 1.00 0.00 C ATOM 0 H ILE A 77 4.724 -7.647 4.796 1.00 0.00 H new ATOM 0 HA ILE A 77 2.903 -6.236 2.948 1.00 0.00 H new ATOM 0 HB ILE A 77 2.398 -7.190 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.870 -8.034 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.382 -8.824 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.105 -6.362 5.456 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.302 -5.049 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.582 -5.705 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.476 -10.077 4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.482 -9.448 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.053 -8.647 5.545 1.00 0.00 H new ATOM 1308 N PHE A 78 3.418 -4.002 3.925 1.00 0.00 N ATOM 1309 CA PHE A 78 3.819 -2.691 4.425 1.00 0.00 C ATOM 1310 C PHE A 78 2.609 -1.778 4.598 1.00 0.00 C ATOM 1311 O PHE A 78 1.622 -1.893 3.870 1.00 0.00 O ATOM 1312 CB PHE A 78 4.843 -2.042 3.489 1.00 0.00 C ATOM 1313 CG PHE A 78 4.449 -2.067 2.040 1.00 0.00 C ATOM 1314 CD1 PHE A 78 4.468 -3.252 1.320 1.00 0.00 C ATOM 1315 CD2 PHE A 78 4.066 -0.903 1.393 1.00 0.00 C ATOM 1316 CE1 PHE A 78 4.113 -3.275 -0.015 1.00 0.00 C ATOM 1317 CE2 PHE A 78 3.710 -0.919 0.059 1.00 0.00 C ATOM 1318 CZ PHE A 78 3.733 -2.107 -0.645 1.00 0.00 C ATOM 0 H PHE A 78 2.907 -3.982 3.043 1.00 0.00 H new ATOM 0 HA PHE A 78 4.283 -2.835 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.995 -1.007 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.799 -2.552 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.764 -4.168 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.046 0.029 1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.133 -4.205 -0.564 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.414 -0.004 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.454 -2.122 -1.688 1.00 0.00 H new ATOM 1328 N GLN A 79 2.690 -0.877 5.572 1.00 0.00 N ATOM 1329 CA GLN A 79 1.600 0.051 5.853 1.00 0.00 C ATOM 1330 C GLN A 79 2.006 1.492 5.552 1.00 0.00 C ATOM 1331 O GLN A 79 3.130 1.906 5.840 1.00 0.00 O ATOM 1332 CB GLN A 79 1.168 -0.074 7.317 1.00 0.00 C ATOM 1333 CG GLN A 79 0.048 0.875 7.708 1.00 0.00 C ATOM 1334 CD GLN A 79 -0.116 0.996 9.210 1.00 0.00 C ATOM 1335 OE1 GLN A 79 0.074 2.069 9.782 1.00 0.00 O ATOM 1336 NE2 GLN A 79 -0.470 -0.108 9.858 1.00 0.00 N ATOM 0 H GLN A 79 3.501 -0.770 6.181 1.00 0.00 H new ATOM 0 HA GLN A 79 0.763 -0.208 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.846 -1.098 7.505 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.030 0.112 7.958 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.249 1.860 7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.888 0.526 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.617 -0.976 9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.595 -0.087 10.870 1.00 0.00 H new ATOM 1345 N ILE A 80 1.078 2.250 4.974 1.00 0.00 N ATOM 1346 CA ILE A 80 1.327 3.647 4.634 1.00 0.00 C ATOM 1347 C ILE A 80 0.283 4.556 5.275 1.00 0.00 C ATOM 1348 O ILE A 80 -0.901 4.481 4.949 1.00 0.00 O ATOM 1349 CB ILE A 80 1.311 3.863 3.107 1.00 0.00 C ATOM 1350 CG1 ILE A 80 2.341 2.957 2.429 1.00 0.00 C ATOM 1351 CG2 ILE A 80 1.578 5.324 2.770 1.00 0.00 C ATOM 1352 CD1 ILE A 80 1.728 1.773 1.717 1.00 0.00 C ATOM 0 H ILE A 80 0.144 1.919 4.731 1.00 0.00 H new ATOM 0 HA ILE A 80 2.315 3.900 5.019 1.00 0.00 H new ATOM 0 HB ILE A 80 0.322 3.601 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.914 3.545 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.044 2.595 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.563 5.457 1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.808 5.948 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.555 5.614 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.517 1.175 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.179 1.162 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.046 2.127 0.944 1.00 0.00 H new ATOM 1364 N LEU A 81 0.727 5.418 6.187 1.00 0.00 N ATOM 1365 CA LEU A 81 -0.176 6.341 6.866 1.00 0.00 C ATOM 1366 C LEU A 81 -0.350 7.623 6.061 1.00 0.00 C ATOM 1367 O LEU A 81 0.581 8.087 5.402 1.00 0.00 O ATOM 1368 CB LEU A 81 0.344 6.677 8.265 1.00 0.00 C ATOM 1369 CG LEU A 81 -0.512 7.681 9.041 1.00 0.00 C ATOM 1370 CD1 LEU A 81 -1.790 7.022 9.535 1.00 0.00 C ATOM 1371 CD2 LEU A 81 0.271 8.267 10.205 1.00 0.00 C ATOM 0 H LEU A 81 1.703 5.496 6.471 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.145 5.850 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.413 5.756 8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.355 7.074 8.176 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.782 8.494 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.386 7.751 10.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.362 6.653 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.539 6.189 10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.355 8.978 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.574 7.466 10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.157 8.777 9.827 1.00 0.00 H new ATOM 1383 N TYR A 82 -1.550 8.190 6.121 1.00 0.00 N ATOM 1384 CA TYR A 82 -1.853 9.419 5.400 1.00 0.00 C ATOM 1385 C TYR A 82 -3.023 10.150 6.046 1.00 0.00 C ATOM 1386 O TYR A 82 -3.946 9.523 6.566 1.00 0.00 O ATOM 1387 CB TYR A 82 -2.178 9.111 3.939 1.00 0.00 C ATOM 1388 CG TYR A 82 -3.086 7.916 3.765 1.00 0.00 C ATOM 1389 CD1 TYR A 82 -2.598 6.626 3.915 1.00 0.00 C ATOM 1390 CD2 TYR A 82 -4.431 8.079 3.457 1.00 0.00 C ATOM 1391 CE1 TYR A 82 -3.422 5.529 3.761 1.00 0.00 C ATOM 1392 CE2 TYR A 82 -5.263 6.986 3.302 1.00 0.00 C ATOM 1393 CZ TYR A 82 -4.753 5.714 3.455 1.00 0.00 C ATOM 1394 OH TYR A 82 -5.579 4.624 3.304 1.00 0.00 O ATOM 0 H TYR A 82 -2.329 7.817 6.663 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.974 10.062 5.442 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -2.649 9.984 3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -1.249 8.934 3.397 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -1.556 6.477 4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.832 9.074 3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -3.026 4.531 3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.307 7.128 3.062 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.486 4.928 3.091 1.00 0.00 H new ATOM 1404 N ALA A 83 -2.981 11.475 6.008 1.00 0.00 N ATOM 1405 CA ALA A 83 -4.041 12.288 6.590 1.00 0.00 C ATOM 1406 C ALA A 83 -5.314 12.210 5.753 1.00 0.00 C ATOM 1407 O ALA A 83 -5.297 12.486 4.553 1.00 0.00 O ATOM 1408 CB ALA A 83 -3.582 13.733 6.718 1.00 0.00 C ATOM 0 H ALA A 83 -2.225 12.010 5.581 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.265 11.897 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.382 14.332 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.702 13.780 7.360 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.332 14.124 5.732 1.00 0.00 H new ATOM 1414 N ASN A 84 -6.417 11.836 6.392 1.00 0.00 N ATOM 1415 CA ASN A 84 -7.698 11.726 5.702 1.00 0.00 C ATOM 1416 C ASN A 84 -8.594 12.917 6.031 1.00 0.00 C ATOM 1417 O ASN A 84 -9.226 13.496 5.147 1.00 0.00 O ATOM 1418 CB ASN A 84 -8.394 10.411 6.076 1.00 0.00 C ATOM 1419 CG ASN A 84 -9.070 10.465 7.434 1.00 0.00 C ATOM 1420 OD1 ASN A 84 -8.343 10.071 8.471 1.00 0.00 O flip ATOM 1421 ND2 ASN A 84 -10.232 10.855 7.547 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.451 11.604 7.385 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.510 11.728 4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -9.137 10.170 5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.661 9.604 6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.754 11.149 6.721 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.673 10.884 8.466 1.00 0.00 H new ATOM 1428 N GLU A 85 -8.641 13.276 7.309 1.00 0.00 N ATOM 1429 CA GLU A 85 -9.456 14.398 7.761 1.00 0.00 C ATOM 1430 C GLU A 85 -8.590 15.463 8.427 1.00 0.00 C ATOM 1431 O GLU A 85 -8.807 16.660 8.241 1.00 0.00 O ATOM 1432 CB GLU A 85 -10.531 13.914 8.735 1.00 0.00 C ATOM 1433 CG GLU A 85 -11.741 13.302 8.048 1.00 0.00 C ATOM 1434 CD GLU A 85 -12.532 12.390 8.964 1.00 0.00 C ATOM 1435 OE1 GLU A 85 -11.905 11.594 9.696 1.00 0.00 O ATOM 1436 OE2 GLU A 85 -13.778 12.471 8.951 1.00 0.00 O ATOM 0 H GLU A 85 -8.124 12.806 8.052 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.939 14.840 6.890 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.094 13.177 9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.858 14.753 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.390 14.099 7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.412 12.738 7.175 1.00 0.00 H new ATOM 1443 N GLY A 86 -7.608 15.016 9.203 1.00 0.00 N ATOM 1444 CA GLY A 86 -6.721 15.938 9.884 1.00 0.00 C ATOM 1445 C GLY A 86 -5.342 15.353 10.113 1.00 0.00 C ATOM 1446 O GLY A 86 -4.496 15.373 9.218 1.00 0.00 O ATOM 0 H GLY A 86 -7.411 14.030 9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.632 16.852 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.158 16.217 10.843 1.00 0.00 H new ATOM 1450 N ILE A 87 -5.114 14.829 11.314 1.00 0.00 N ATOM 1451 CA ILE A 87 -3.826 14.236 11.656 1.00 0.00 C ATOM 1452 C ILE A 87 -4.011 12.927 12.415 1.00 0.00 C ATOM 1453 O ILE A 87 -3.675 11.854 11.913 1.00 0.00 O ATOM 1454 CB ILE A 87 -2.968 15.190 12.511 1.00 0.00 C ATOM 1455 CG1 ILE A 87 -3.189 16.643 12.086 1.00 0.00 C ATOM 1456 CG2 ILE A 87 -1.496 14.821 12.400 1.00 0.00 C ATOM 1457 CD1 ILE A 87 -4.303 17.330 12.843 1.00 0.00 C ATOM 0 H ILE A 87 -5.804 14.803 12.065 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.311 14.044 10.715 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.274 15.088 13.552 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.264 17.201 12.232 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.414 16.671 11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.903 15.503 13.009 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.349 13.800 12.752 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.180 14.895 11.360 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.404 18.356 12.490 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.239 16.796 12.677 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.071 17.334 13.908 1.00 0.00 H new ATOM 1469 N SER A 88 -4.544 13.025 13.629 1.00 0.00 N ATOM 1470 CA SER A 88 -4.772 11.848 14.461 1.00 0.00 C ATOM 1471 C SER A 88 -5.713 10.864 13.774 1.00 0.00 C ATOM 1472 O SER A 88 -5.602 9.653 13.962 1.00 0.00 O ATOM 1473 CB SER A 88 -5.350 12.264 15.816 1.00 0.00 C ATOM 1474 OG SER A 88 -5.736 11.130 16.574 1.00 0.00 O ATOM 0 H SER A 88 -4.826 13.906 14.058 1.00 0.00 H new ATOM 0 HA SER A 88 -3.813 11.353 14.616 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.609 12.841 16.370 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.211 12.914 15.664 1.00 0.00 H new ATOM 0 HG SER A 88 -6.101 11.421 17.436 1.00 0.00 H new ATOM 1480 N SER A 89 -6.637 11.391 12.976 1.00 0.00 N ATOM 1481 CA SER A 89 -7.596 10.555 12.261 1.00 0.00 C ATOM 1482 C SER A 89 -6.945 9.871 11.061 1.00 0.00 C ATOM 1483 O SER A 89 -7.455 8.869 10.559 1.00 0.00 O ATOM 1484 CB SER A 89 -8.788 11.393 11.798 1.00 0.00 C ATOM 1485 OG SER A 89 -9.459 11.981 12.899 1.00 0.00 O ATOM 0 H SER A 89 -6.742 12.392 12.808 1.00 0.00 H new ATOM 0 HA SER A 89 -7.944 9.783 12.948 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.445 12.173 11.119 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.482 10.765 11.239 1.00 0.00 H new ATOM 0 HG SER A 89 -10.216 12.513 12.575 1.00 0.00 H new ATOM 1491 N ALA A 90 -5.820 10.422 10.604 1.00 0.00 N ATOM 1492 CA ALA A 90 -5.091 9.877 9.458 1.00 0.00 C ATOM 1493 C ALA A 90 -5.099 8.351 9.452 1.00 0.00 C ATOM 1494 O ALA A 90 -4.633 7.712 10.396 1.00 0.00 O ATOM 1495 CB ALA A 90 -3.662 10.395 9.457 1.00 0.00 C ATOM 0 H ALA A 90 -5.391 11.252 11.014 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.599 10.210 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.127 9.984 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.669 11.483 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.164 10.089 10.377 1.00 0.00 H new ATOM 1501 N LYS A 91 -5.630 7.773 8.378 1.00 0.00 N ATOM 1502 CA LYS A 91 -5.698 6.324 8.242 1.00 0.00 C ATOM 1503 C LYS A 91 -4.459 5.790 7.533 1.00 0.00 C ATOM 1504 O LYS A 91 -3.550 6.548 7.196 1.00 0.00 O ATOM 1505 CB LYS A 91 -6.957 5.920 7.472 1.00 0.00 C ATOM 1506 CG LYS A 91 -8.241 6.458 8.081 1.00 0.00 C ATOM 1507 CD LYS A 91 -8.461 5.923 9.489 1.00 0.00 C ATOM 1508 CE LYS A 91 -9.618 4.939 9.538 1.00 0.00 C ATOM 1509 NZ LYS A 91 -10.931 5.615 9.344 1.00 0.00 N ATOM 0 H LYS A 91 -6.020 8.288 7.589 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.740 5.890 9.241 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.875 6.276 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.013 4.832 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.204 7.547 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.086 6.183 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.552 5.435 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.659 6.753 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.483 4.181 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.614 4.422 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.699 4.956 9.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.986 6.450 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.026 5.911 8.352 1.00 0.00 H new ATOM 1523 N ASN A 92 -4.427 4.481 7.311 1.00 0.00 N ATOM 1524 CA ASN A 92 -3.293 3.850 6.643 1.00 0.00 C ATOM 1525 C ASN A 92 -3.758 2.853 5.588 1.00 0.00 C ATOM 1526 O ASN A 92 -4.937 2.493 5.532 1.00 0.00 O ATOM 1527 CB ASN A 92 -2.391 3.148 7.662 1.00 0.00 C ATOM 1528 CG ASN A 92 -3.163 2.575 8.837 1.00 0.00 C ATOM 1529 OD1 ASN A 92 -2.874 2.885 9.993 1.00 0.00 O ATOM 1530 ND2 ASN A 92 -4.152 1.736 8.547 1.00 0.00 N ATOM 0 H ASN A 92 -5.170 3.837 7.582 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.724 4.635 6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.846 2.345 7.165 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.649 3.856 8.031 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.706 1.322 9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.357 1.507 7.575 1.00 0.00 H new ATOM 1537 N LEU A 93 -2.826 2.406 4.753 1.00 0.00 N ATOM 1538 CA LEU A 93 -3.132 1.447 3.698 1.00 0.00 C ATOM 1539 C LEU A 93 -2.177 0.259 3.757 1.00 0.00 C ATOM 1540 O LEU A 93 -0.961 0.423 3.658 1.00 0.00 O ATOM 1541 CB LEU A 93 -3.048 2.119 2.324 1.00 0.00 C ATOM 1542 CG LEU A 93 -4.245 1.855 1.404 1.00 0.00 C ATOM 1543 CD1 LEU A 93 -4.816 3.163 0.878 1.00 0.00 C ATOM 1544 CD2 LEU A 93 -3.841 0.946 0.252 1.00 0.00 C ATOM 0 H LEU A 93 -1.848 2.694 4.787 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.148 1.085 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.948 3.195 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.141 1.779 1.824 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.019 1.353 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.665 2.954 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.144 3.780 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.049 3.694 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.703 0.769 -0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.048 1.421 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.482 -0.004 0.647 1.00 0.00 H new ATOM 1556 N LEU A 94 -2.733 -0.936 3.916 1.00 0.00 N ATOM 1557 CA LEU A 94 -1.928 -2.148 3.987 1.00 0.00 C ATOM 1558 C LEU A 94 -1.819 -2.806 2.618 1.00 0.00 C ATOM 1559 O LEU A 94 -2.828 -3.139 1.996 1.00 0.00 O ATOM 1560 CB LEU A 94 -2.533 -3.127 4.995 1.00 0.00 C ATOM 1561 CG LEU A 94 -2.282 -2.784 6.464 1.00 0.00 C ATOM 1562 CD1 LEU A 94 -0.859 -3.145 6.859 1.00 0.00 C ATOM 1563 CD2 LEU A 94 -2.549 -1.308 6.719 1.00 0.00 C ATOM 0 H LEU A 94 -3.738 -1.091 3.998 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.926 -1.874 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.609 -3.177 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.133 -4.122 4.797 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.968 -3.369 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.698 -2.894 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.701 -4.214 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.157 -2.586 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.366 -1.081 7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.887 -0.706 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.586 -1.078 6.474 1.00 0.00 H new ATOM 1575 N LEU A 95 -0.589 -2.985 2.151 1.00 0.00 N ATOM 1576 CA LEU A 95 -0.350 -3.596 0.853 1.00 0.00 C ATOM 1577 C LEU A 95 0.527 -4.835 0.981 1.00 0.00 C ATOM 1578 O LEU A 95 1.690 -4.750 1.379 1.00 0.00 O ATOM 1579 CB LEU A 95 0.302 -2.581 -0.086 1.00 0.00 C ATOM 1580 CG LEU A 95 -0.491 -1.287 -0.283 1.00 0.00 C ATOM 1581 CD1 LEU A 95 0.120 -0.455 -1.395 1.00 0.00 C ATOM 1582 CD2 LEU A 95 -1.949 -1.592 -0.589 1.00 0.00 C ATOM 0 H LEU A 95 0.257 -2.715 2.653 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.309 -3.906 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.289 -2.330 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.452 -3.050 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.447 -0.714 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.456 0.462 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.149 -0.204 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.106 -1.024 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.495 -0.659 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.013 -2.186 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.386 -2.150 0.239 1.00 0.00 H new ATOM 1594 N LEU A 96 -0.041 -5.987 0.642 1.00 0.00 N ATOM 1595 CA LEU A 96 0.679 -7.251 0.714 1.00 0.00 C ATOM 1596 C LEU A 96 1.414 -7.524 -0.595 1.00 0.00 C ATOM 1597 O LEU A 96 0.798 -7.620 -1.657 1.00 0.00 O ATOM 1598 CB LEU A 96 -0.297 -8.393 1.030 1.00 0.00 C ATOM 1599 CG LEU A 96 0.232 -9.810 0.783 1.00 0.00 C ATOM 1600 CD1 LEU A 96 1.066 -10.282 1.962 1.00 0.00 C ATOM 1601 CD2 LEU A 96 -0.923 -10.768 0.527 1.00 0.00 C ATOM 0 H LEU A 96 -1.003 -6.070 0.313 1.00 0.00 H new ATOM 0 HA LEU A 96 1.418 -7.188 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.593 -8.313 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.197 -8.252 0.432 1.00 0.00 H new ATOM 0 HG LEU A 96 0.870 -9.792 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.433 -11.290 1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.912 -9.609 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.453 -10.286 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.532 -11.771 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.584 -10.781 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.481 -10.439 -0.350 1.00 0.00 H new ATOM 1613 N ALA A 97 2.735 -7.649 -0.511 1.00 0.00 N ATOM 1614 CA ALA A 97 3.553 -7.912 -1.689 1.00 0.00 C ATOM 1615 C ALA A 97 3.817 -9.406 -1.849 1.00 0.00 C ATOM 1616 O ALA A 97 4.131 -10.098 -0.882 1.00 0.00 O ATOM 1617 CB ALA A 97 4.864 -7.145 -1.600 1.00 0.00 C ATOM 0 H ALA A 97 3.261 -7.572 0.360 1.00 0.00 H new ATOM 0 HA ALA A 97 3.006 -7.572 -2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.466 -7.350 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.657 -6.076 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.409 -7.459 -0.710 1.00 0.00 H new ATOM 1623 N ASN A 98 3.687 -9.896 -3.078 1.00 0.00 N ATOM 1624 CA ASN A 98 3.913 -11.308 -3.369 1.00 0.00 C ATOM 1625 C ASN A 98 5.292 -11.753 -2.885 1.00 0.00 C ATOM 1626 O ASN A 98 5.513 -12.933 -2.613 1.00 0.00 O ATOM 1627 CB ASN A 98 3.778 -11.572 -4.869 1.00 0.00 C ATOM 1628 CG ASN A 98 4.585 -10.596 -5.702 1.00 0.00 C ATOM 1629 OD1 ASN A 98 5.786 -10.779 -5.905 1.00 0.00 O ATOM 1630 ND2 ASN A 98 3.928 -9.552 -6.193 1.00 0.00 N ATOM 0 H ASN A 98 3.426 -9.336 -3.889 1.00 0.00 H new ATOM 0 HA ASN A 98 3.157 -11.885 -2.836 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.105 -12.589 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.728 -11.507 -5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 98 4.418 -8.863 -6.763 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.933 -9.439 -6.000 1.00 0.00 H new ATOM 1637 N SER A 99 6.215 -10.801 -2.778 1.00 0.00 N ATOM 1638 CA SER A 99 7.569 -11.098 -2.326 1.00 0.00 C ATOM 1639 C SER A 99 8.062 -10.030 -1.357 1.00 0.00 C ATOM 1640 O SER A 99 7.726 -8.853 -1.490 1.00 0.00 O ATOM 1641 CB SER A 99 8.517 -11.197 -3.522 1.00 0.00 C ATOM 1642 OG SER A 99 8.418 -12.464 -4.149 1.00 0.00 O ATOM 0 H SER A 99 6.049 -9.819 -2.998 1.00 0.00 H new ATOM 0 HA SER A 99 7.552 -12.056 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.282 -10.413 -4.242 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.542 -11.030 -3.192 1.00 0.00 H new ATOM 0 HG SER A 99 9.033 -12.501 -4.911 1.00 0.00 H new ATOM 1648 N THR A 100 8.863 -10.446 -0.381 1.00 0.00 N ATOM 1649 CA THR A 100 9.405 -9.524 0.611 1.00 0.00 C ATOM 1650 C THR A 100 10.183 -8.397 -0.061 1.00 0.00 C ATOM 1651 O THR A 100 10.034 -7.228 0.295 1.00 0.00 O ATOM 1652 CB THR A 100 10.315 -10.271 1.587 1.00 0.00 C ATOM 1653 OG1 THR A 100 9.864 -11.601 1.776 1.00 0.00 O ATOM 1654 CG2 THR A 100 10.399 -9.615 2.949 1.00 0.00 C ATOM 0 H THR A 100 9.151 -11.416 -0.256 1.00 0.00 H new ATOM 0 HA THR A 100 8.570 -9.089 1.160 1.00 0.00 H new ATOM 0 HB THR A 100 11.305 -10.252 1.131 1.00 0.00 H new ATOM 0 HG1 THR A 100 10.298 -12.189 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.060 -10.195 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 100 10.792 -8.604 2.842 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.405 -9.573 3.394 1.00 0.00 H new ATOM 1662 N GLU A 101 11.013 -8.759 -1.035 1.00 0.00 N ATOM 1663 CA GLU A 101 11.819 -7.785 -1.761 1.00 0.00 C ATOM 1664 C GLU A 101 10.950 -6.660 -2.320 1.00 0.00 C ATOM 1665 O GLU A 101 11.356 -5.498 -2.336 1.00 0.00 O ATOM 1666 CB GLU A 101 12.579 -8.470 -2.898 1.00 0.00 C ATOM 1667 CG GLU A 101 13.303 -9.736 -2.468 1.00 0.00 C ATOM 1668 CD GLU A 101 14.452 -10.091 -3.391 1.00 0.00 C ATOM 1669 OE1 GLU A 101 14.319 -9.874 -4.614 1.00 0.00 O ATOM 1670 OE2 GLU A 101 15.484 -10.587 -2.892 1.00 0.00 O ATOM 0 H GLU A 101 11.145 -9.723 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 101 12.534 -7.351 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.879 -8.715 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.304 -7.770 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.682 -9.607 -1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.595 -10.564 -2.440 1.00 0.00 H new ATOM 1677 N GLU A 102 9.752 -7.013 -2.774 1.00 0.00 N ATOM 1678 CA GLU A 102 8.826 -6.033 -3.330 1.00 0.00 C ATOM 1679 C GLU A 102 8.451 -4.988 -2.284 1.00 0.00 C ATOM 1680 O GLU A 102 8.419 -3.791 -2.570 1.00 0.00 O ATOM 1681 CB GLU A 102 7.566 -6.727 -3.852 1.00 0.00 C ATOM 1682 CG GLU A 102 7.081 -6.184 -5.188 1.00 0.00 C ATOM 1683 CD GLU A 102 7.355 -7.136 -6.336 1.00 0.00 C ATOM 1684 OE1 GLU A 102 8.543 -7.382 -6.633 1.00 0.00 O ATOM 1685 OE2 GLU A 102 6.381 -7.633 -6.940 1.00 0.00 O ATOM 0 H GLU A 102 9.400 -7.970 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 102 9.322 -5.530 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 102 7.764 -7.794 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 102 6.770 -6.619 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.010 -5.989 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.569 -5.230 -5.387 1.00 0.00 H new ATOM 1692 N GLN A 103 8.169 -5.449 -1.070 1.00 0.00 N ATOM 1693 CA GLN A 103 7.796 -4.556 0.021 1.00 0.00 C ATOM 1694 C GLN A 103 8.922 -3.573 0.331 1.00 0.00 C ATOM 1695 O GLN A 103 8.674 -2.422 0.684 1.00 0.00 O ATOM 1696 CB GLN A 103 7.449 -5.365 1.274 1.00 0.00 C ATOM 1697 CG GLN A 103 7.140 -4.509 2.492 1.00 0.00 C ATOM 1698 CD GLN A 103 8.256 -4.530 3.516 1.00 0.00 C ATOM 1699 OE1 GLN A 103 9.113 -3.517 3.478 1.00 0.00 O flip ATOM 1700 NE2 GLN A 103 8.348 -5.447 4.333 1.00 0.00 N flip ATOM 0 H GLN A 103 8.192 -6.437 -0.817 1.00 0.00 H new ATOM 0 HA GLN A 103 6.920 -3.988 -0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.588 -5.998 1.059 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.282 -6.028 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.963 -3.482 2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.219 -4.863 2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.667 -6.206 4.326 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.105 -5.447 5.016 1.00 0.00 H new ATOM 1709 N GLN A 104 10.161 -4.034 0.197 1.00 0.00 N ATOM 1710 CA GLN A 104 11.321 -3.190 0.466 1.00 0.00 C ATOM 1711 C GLN A 104 11.438 -2.082 -0.576 1.00 0.00 C ATOM 1712 O GLN A 104 11.730 -0.932 -0.245 1.00 0.00 O ATOM 1713 CB GLN A 104 12.612 -4.017 0.481 1.00 0.00 C ATOM 1714 CG GLN A 104 12.436 -5.445 0.977 1.00 0.00 C ATOM 1715 CD GLN A 104 11.630 -5.531 2.258 1.00 0.00 C ATOM 1716 OE1 GLN A 104 11.444 -4.535 2.957 1.00 0.00 O ATOM 1717 NE2 GLN A 104 11.147 -6.727 2.574 1.00 0.00 N ATOM 0 H GLN A 104 10.388 -4.984 -0.095 1.00 0.00 H new ATOM 0 HA GLN A 104 11.179 -2.741 1.449 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.024 -4.044 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 104 13.345 -3.514 1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.943 -6.034 0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.417 -5.891 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.325 -7.526 1.966 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.598 -6.847 3.425 1.00 0.00 H new ATOM 1726 N LYS A 105 11.210 -2.438 -1.835 1.00 0.00 N ATOM 1727 CA LYS A 105 11.292 -1.476 -2.929 1.00 0.00 C ATOM 1728 C LYS A 105 10.105 -0.519 -2.909 1.00 0.00 C ATOM 1729 O LYS A 105 10.276 0.696 -2.989 1.00 0.00 O ATOM 1730 CB LYS A 105 11.355 -2.208 -4.273 1.00 0.00 C ATOM 1731 CG LYS A 105 11.272 -1.283 -5.479 1.00 0.00 C ATOM 1732 CD LYS A 105 11.303 -2.061 -6.786 1.00 0.00 C ATOM 1733 CE LYS A 105 10.154 -1.666 -7.699 1.00 0.00 C ATOM 1734 NZ LYS A 105 10.351 -2.163 -9.088 1.00 0.00 N ATOM 0 H LYS A 105 10.967 -3.386 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 105 12.202 -0.891 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.285 -2.775 -4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.539 -2.929 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.355 -0.697 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.103 -0.578 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.251 -1.882 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.251 -3.129 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 105 9.221 -2.064 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 105 10.058 -0.580 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.546 -1.872 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 11.228 -1.764 -9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.417 -3.201 -9.079 1.00 0.00 H new ATOM 1748 N TRP A 106 8.900 -1.074 -2.814 1.00 0.00 N ATOM 1749 CA TRP A 106 7.687 -0.265 -2.797 1.00 0.00 C ATOM 1750 C TRP A 106 7.728 0.783 -1.689 1.00 0.00 C ATOM 1751 O TRP A 106 7.487 1.967 -1.926 1.00 0.00 O ATOM 1752 CB TRP A 106 6.461 -1.151 -2.618 1.00 0.00 C ATOM 1753 CG TRP A 106 5.750 -1.422 -3.902 1.00 0.00 C ATOM 1754 CD1 TRP A 106 6.014 -2.429 -4.774 1.00 0.00 C ATOM 1755 CD2 TRP A 106 4.673 -0.671 -4.468 1.00 0.00 C ATOM 1756 NE1 TRP A 106 5.150 -2.368 -5.842 1.00 0.00 N ATOM 1757 CE2 TRP A 106 4.319 -1.295 -5.677 1.00 0.00 C ATOM 1758 CE3 TRP A 106 3.966 0.465 -4.066 1.00 0.00 C ATOM 1759 CZ2 TRP A 106 3.291 -0.823 -6.486 1.00 0.00 C ATOM 1760 CZ3 TRP A 106 2.946 0.934 -4.874 1.00 0.00 C ATOM 1761 CH2 TRP A 106 2.617 0.289 -6.070 1.00 0.00 C ATOM 0 H TRP A 106 8.738 -2.079 -2.748 1.00 0.00 H new ATOM 0 HA TRP A 106 7.625 0.252 -3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.765 -2.097 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.772 -0.674 -1.921 1.00 0.00 H new ATOM 0 HD1 TRP A 106 6.790 -3.170 -4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 106 5.132 -3.017 -6.629 1.00 0.00 H new ATOM 0 HE3 TRP A 106 4.211 0.967 -3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.035 -1.319 -7.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 2.394 1.813 -4.576 1.00 0.00 H new ATOM 0 HH2 TRP A 106 1.813 0.678 -6.677 1.00 0.00 H new ATOM 1772 N VAL A 107 8.023 0.332 -0.474 1.00 0.00 N ATOM 1773 CA VAL A 107 8.084 1.217 0.684 1.00 0.00 C ATOM 1774 C VAL A 107 9.204 2.244 0.553 1.00 0.00 C ATOM 1775 O VAL A 107 8.995 3.432 0.791 1.00 0.00 O ATOM 1776 CB VAL A 107 8.285 0.412 1.985 1.00 0.00 C ATOM 1777 CG1 VAL A 107 8.304 1.334 3.198 1.00 0.00 C ATOM 1778 CG2 VAL A 107 7.199 -0.644 2.129 1.00 0.00 C ATOM 0 H VAL A 107 8.224 -0.646 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 107 7.131 1.744 0.726 1.00 0.00 H new ATOM 0 HB VAL A 107 9.251 -0.091 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.447 0.743 4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.121 2.049 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 107 7.358 1.871 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.355 -1.203 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 107 6.223 -0.160 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 107 7.240 -1.326 1.280 1.00 0.00 H new ATOM 1788 N SER A 108 10.395 1.780 0.188 1.00 0.00 N ATOM 1789 CA SER A 108 11.547 2.663 0.046 1.00 0.00 C ATOM 1790 C SER A 108 11.360 3.662 -1.094 1.00 0.00 C ATOM 1791 O SER A 108 11.795 4.809 -1.000 1.00 0.00 O ATOM 1792 CB SER A 108 12.816 1.841 -0.187 1.00 0.00 C ATOM 1793 OG SER A 108 13.974 2.576 0.170 1.00 0.00 O ATOM 0 H SER A 108 10.587 0.799 -0.015 1.00 0.00 H new ATOM 0 HA SER A 108 11.643 3.228 0.973 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.770 0.922 0.398 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.876 1.549 -1.235 1.00 0.00 H new ATOM 0 HG SER A 108 14.771 2.028 0.013 1.00 0.00 H new ATOM 1799 N ARG A 109 10.724 3.222 -2.173 1.00 0.00 N ATOM 1800 CA ARG A 109 10.496 4.088 -3.326 1.00 0.00 C ATOM 1801 C ARG A 109 9.385 5.097 -3.051 1.00 0.00 C ATOM 1802 O ARG A 109 9.575 6.303 -3.215 1.00 0.00 O ATOM 1803 CB ARG A 109 10.149 3.253 -4.558 1.00 0.00 C ATOM 1804 CG ARG A 109 11.366 2.798 -5.348 1.00 0.00 C ATOM 1805 CD ARG A 109 12.051 3.965 -6.041 1.00 0.00 C ATOM 1806 NE ARG A 109 13.507 3.882 -5.942 1.00 0.00 N ATOM 1807 CZ ARG A 109 14.255 3.069 -6.684 1.00 0.00 C ATOM 1808 NH1 ARG A 109 13.690 2.269 -7.580 1.00 0.00 N ATOM 1809 NH2 ARG A 109 15.572 3.057 -6.530 1.00 0.00 N ATOM 0 H ARG A 109 10.358 2.275 -2.275 1.00 0.00 H new ATOM 0 HA ARG A 109 11.417 4.639 -3.515 1.00 0.00 H new ATOM 0 HB2 ARG A 109 9.581 2.377 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.500 3.836 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 109 12.072 2.306 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 109 11.063 2.060 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 109 11.760 3.985 -7.091 1.00 0.00 H new ATOM 0 HD3 ARG A 109 11.710 4.901 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 109 13.977 4.482 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.677 2.275 -7.703 1.00 0.00 H new ATOM 0 HH12 ARG A 109 14.268 1.648 -8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 109 16.011 3.670 -5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 109 16.146 2.434 -7.098 1.00 0.00 H new ATOM 1823 N LEU A 110 8.224 4.597 -2.640 1.00 0.00 N ATOM 1824 CA LEU A 110 7.082 5.457 -2.354 1.00 0.00 C ATOM 1825 C LEU A 110 7.404 6.455 -1.243 1.00 0.00 C ATOM 1826 O LEU A 110 6.973 7.608 -1.291 1.00 0.00 O ATOM 1827 CB LEU A 110 5.862 4.613 -1.973 1.00 0.00 C ATOM 1828 CG LEU A 110 5.896 4.009 -0.567 1.00 0.00 C ATOM 1829 CD1 LEU A 110 5.386 5.013 0.457 1.00 0.00 C ATOM 1830 CD2 LEU A 110 5.071 2.730 -0.520 1.00 0.00 C ATOM 0 H LEU A 110 8.050 3.602 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 110 6.853 6.022 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.970 5.233 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.761 3.803 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 110 6.929 3.763 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.417 4.567 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.015 5.903 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.360 5.290 0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.105 2.312 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.038 2.954 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.479 2.008 -1.227 1.00 0.00 H new ATOM 1842 N VAL A 111 8.161 6.010 -0.245 1.00 0.00 N ATOM 1843 CA VAL A 111 8.534 6.874 0.869 1.00 0.00 C ATOM 1844 C VAL A 111 9.553 7.919 0.428 1.00 0.00 C ATOM 1845 O VAL A 111 9.450 9.093 0.785 1.00 0.00 O ATOM 1846 CB VAL A 111 9.107 6.065 2.051 1.00 0.00 C ATOM 1847 CG1 VAL A 111 10.489 5.518 1.721 1.00 0.00 C ATOM 1848 CG2 VAL A 111 9.153 6.920 3.308 1.00 0.00 C ATOM 0 H VAL A 111 8.527 5.060 -0.185 1.00 0.00 H new ATOM 0 HA VAL A 111 7.625 7.375 1.202 1.00 0.00 H new ATOM 0 HB VAL A 111 8.447 5.217 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.869 4.952 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.424 4.865 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.165 6.345 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.560 6.334 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.787 7.789 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.145 7.250 3.560 1.00 0.00 H new ATOM 1858 N LYS A 112 10.536 7.483 -0.354 1.00 0.00 N ATOM 1859 CA LYS A 112 11.571 8.381 -0.851 1.00 0.00 C ATOM 1860 C LYS A 112 10.960 9.488 -1.702 1.00 0.00 C ATOM 1861 O LYS A 112 11.494 10.594 -1.778 1.00 0.00 O ATOM 1862 CB LYS A 112 12.603 7.601 -1.669 1.00 0.00 C ATOM 1863 CG LYS A 112 13.776 7.094 -0.847 1.00 0.00 C ATOM 1864 CD LYS A 112 15.030 6.954 -1.694 1.00 0.00 C ATOM 1865 CE LYS A 112 15.904 5.808 -1.208 1.00 0.00 C ATOM 1866 NZ LYS A 112 16.705 5.214 -2.314 1.00 0.00 N ATOM 0 H LYS A 112 10.637 6.514 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 112 12.068 8.836 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.111 6.753 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.979 8.240 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.967 7.780 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.523 6.129 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.751 6.785 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.597 7.884 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 112 16.574 6.168 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.277 5.038 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.287 4.437 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.066 4.847 -3.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 17.323 5.943 -2.726 1.00 0.00 H new ATOM 1880 N LYS A 113 9.834 9.182 -2.339 1.00 0.00 N ATOM 1881 CA LYS A 113 9.145 10.151 -3.185 1.00 0.00 C ATOM 1882 C LYS A 113 8.434 11.208 -2.343 1.00 0.00 C ATOM 1883 O LYS A 113 8.144 12.303 -2.823 1.00 0.00 O ATOM 1884 CB LYS A 113 8.137 9.442 -4.091 1.00 0.00 C ATOM 1885 CG LYS A 113 8.774 8.758 -5.291 1.00 0.00 C ATOM 1886 CD LYS A 113 7.743 8.438 -6.361 1.00 0.00 C ATOM 1887 CE LYS A 113 7.284 9.694 -7.086 1.00 0.00 C ATOM 1888 NZ LYS A 113 7.944 9.844 -8.412 1.00 0.00 N ATOM 0 H LYS A 113 9.379 8.271 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 113 9.892 10.650 -3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.594 8.700 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 113 7.404 10.168 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 113 9.547 9.402 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.264 7.839 -4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.168 7.737 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 113 6.884 7.946 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 113 6.203 9.660 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.502 10.568 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.125 10.851 -8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.845 9.324 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.324 9.462 -9.154 1.00 0.00 H new ATOM 1902 N ILE A 114 8.154 10.873 -1.086 1.00 0.00 N ATOM 1903 CA ILE A 114 7.476 11.795 -0.182 1.00 0.00 C ATOM 1904 C ILE A 114 8.268 13.093 -0.027 1.00 0.00 C ATOM 1905 O ILE A 114 9.481 13.066 0.184 1.00 0.00 O ATOM 1906 CB ILE A 114 7.262 11.163 1.210 1.00 0.00 C ATOM 1907 CG1 ILE A 114 6.542 9.820 1.080 1.00 0.00 C ATOM 1908 CG2 ILE A 114 6.472 12.106 2.108 1.00 0.00 C ATOM 1909 CD1 ILE A 114 6.301 9.132 2.406 1.00 0.00 C ATOM 0 H ILE A 114 8.386 9.970 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 114 6.504 12.016 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 114 8.237 10.991 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.585 9.977 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.130 9.162 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 114 6.330 11.644 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.019 13.041 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.500 12.308 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.787 8.186 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.256 8.943 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.687 9.771 3.041 1.00 0.00 H new ATOM 1921 N PRO A 115 7.592 14.253 -0.127 1.00 0.00 N ATOM 1922 CA PRO A 115 8.244 15.558 0.005 1.00 0.00 C ATOM 1923 C PRO A 115 8.577 15.897 1.453 1.00 0.00 C ATOM 1924 O PRO A 115 9.630 16.465 1.742 1.00 0.00 O ATOM 1925 CB PRO A 115 7.195 16.526 -0.543 1.00 0.00 C ATOM 1926 CG PRO A 115 5.892 15.863 -0.260 1.00 0.00 C ATOM 1927 CD PRO A 115 6.143 14.383 -0.377 1.00 0.00 C ATOM 0 HA PRO A 115 9.199 15.595 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.260 17.499 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.331 16.695 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 115 5.532 16.120 0.736 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.128 16.186 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.559 13.819 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.872 14.008 -1.364 1.00 0.00 H new ATOM 1935 N LYS A 116 7.671 15.544 2.360 1.00 0.00 N ATOM 1936 CA LYS A 116 7.869 15.810 3.781 1.00 0.00 C ATOM 1937 C LYS A 116 8.570 14.638 4.461 1.00 0.00 C ATOM 1938 O LYS A 116 8.112 14.137 5.488 1.00 0.00 O ATOM 1939 CB LYS A 116 6.524 16.082 4.459 1.00 0.00 C ATOM 1940 CG LYS A 116 6.036 17.511 4.290 1.00 0.00 C ATOM 1941 CD LYS A 116 5.246 17.977 5.503 1.00 0.00 C ATOM 1942 CE LYS A 116 4.081 18.866 5.100 1.00 0.00 C ATOM 1943 NZ LYS A 116 3.487 19.566 6.273 1.00 0.00 N ATOM 0 H LYS A 116 6.794 15.074 2.137 1.00 0.00 H new ATOM 0 HA LYS A 116 8.502 16.692 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.777 15.401 4.051 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.611 15.860 5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.889 18.172 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 116 5.412 17.581 3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.872 17.111 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.904 18.522 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.421 19.602 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.316 18.263 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.696 20.162 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.140 18.864 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.210 20.161 6.725 1.00 0.00 H new ATOM 1957 N LYS A 117 9.688 14.209 3.883 1.00 0.00 N ATOM 1958 CA LYS A 117 10.454 13.096 4.435 1.00 0.00 C ATOM 1959 C LYS A 117 11.072 13.475 5.777 1.00 0.00 C ATOM 1960 O LYS A 117 11.188 14.687 6.052 1.00 0.00 O ATOM 1961 CB LYS A 117 11.551 12.671 3.458 1.00 0.00 C ATOM 1962 CG LYS A 117 12.111 11.286 3.738 1.00 0.00 C ATOM 1963 CD LYS A 117 13.586 11.199 3.381 1.00 0.00 C ATOM 1964 CE LYS A 117 13.786 10.743 1.945 1.00 0.00 C ATOM 1965 NZ LYS A 117 14.125 9.296 1.862 1.00 0.00 N ATOM 1966 OXT LYS A 117 11.432 12.557 6.542 1.00 0.00 O ATOM 0 H LYS A 117 10.083 14.614 3.034 1.00 0.00 H new ATOM 0 HA LYS A 117 9.772 12.260 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 117 11.152 12.694 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 117 12.363 13.397 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.976 11.044 4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 117 11.553 10.544 3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 117 14.054 12.173 3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 117 14.085 10.505 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 117 12.878 10.936 1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.582 11.329 1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 14.778 9.137 1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 14.578 8.994 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 13.256 8.744 1.712 1.00 0.00 H new TER 1980 LYS A 117