USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 37 GLN : amide:sc= 0 X(o=0.12,f=0.07) USER MOD Set 1.2: A 70 SER OG : rot -20:sc= 0.117 USER MOD Set 2.1: A 38 ASN : amide:sc= 0 X(o=-0.099,f=-0.099) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 21 ASN : amide:sc= -1.46 K(o=-1.5,f=-3) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= 0.556 (180deg=-1.13!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 45:sc= 0.38 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -1.03 (180deg=-1.57) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= -0.0174 (180deg=-0.156) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 92:sc= 1.13 USER MOD Single : A 65 MET CE :methyl -157:sc= -3.84! (180deg=-6.31!) USER MOD Single : A 68 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.5!) USER MOD Single : A 69 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.36) USER MOD Single : A 72 THR OG1 : rot 140:sc= 0.793 USER MOD Single : B 101 SER OG : rot 35:sc= 0.167 USER MOD Single : B 102 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 104 LYS NZ :NH3+ -120:sc= 0.0572 (180deg=-1.62!) USER MOD Single : B 107 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.28) USER MOD Single : B 112 SER OG : rot -4:sc= 0.272 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 -14.853 -2.377 4.847 1.00 0.00 N ATOM 2 CA GLU A 20 -13.816 -2.062 5.816 1.00 0.00 C ATOM 3 C GLU A 20 -12.504 -1.711 5.115 1.00 0.00 C ATOM 4 O GLU A 20 -12.032 -0.572 5.169 1.00 0.00 O ATOM 5 CB GLU A 20 -13.625 -3.294 6.695 1.00 0.00 C ATOM 6 CG GLU A 20 -13.955 -4.581 5.949 1.00 0.00 C ATOM 7 CD GLU A 20 -15.362 -5.077 6.217 1.00 0.00 C ATOM 8 OE1 GLU A 20 -16.318 -4.456 5.705 1.00 0.00 O ATOM 9 OE2 GLU A 20 -15.516 -6.092 6.927 1.00 0.00 O ATOM 0 HA GLU A 20 -14.110 -1.198 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.594 -3.333 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.260 -3.213 7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.832 -4.416 4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.242 -5.354 6.236 1.00 0.00 H new ATOM 16 N ASN A 21 -11.939 -2.712 4.457 1.00 0.00 N ATOM 17 CA ASN A 21 -10.719 -2.573 3.680 1.00 0.00 C ATOM 18 C ASN A 21 -10.427 -3.910 3.013 1.00 0.00 C ATOM 19 O ASN A 21 -11.262 -4.818 3.074 1.00 0.00 O ATOM 20 CB ASN A 21 -9.533 -2.134 4.555 1.00 0.00 C ATOM 21 CG ASN A 21 -9.030 -3.214 5.497 1.00 0.00 C ATOM 22 OD1 ASN A 21 -9.786 -4.070 5.958 1.00 0.00 O ATOM 23 ND2 ASN A 21 -7.740 -3.171 5.797 1.00 0.00 N ATOM 0 H ASN A 21 -12.322 -3.657 4.448 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.858 -1.796 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.714 -1.819 3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.829 -1.264 5.141 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.340 -3.863 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.147 -2.446 5.394 1.00 0.00 H new ATOM 30 N VAL A 22 -9.257 -4.037 2.396 1.00 0.00 N ATOM 31 CA VAL A 22 -8.884 -5.267 1.699 1.00 0.00 C ATOM 32 C VAL A 22 -9.869 -5.552 0.559 1.00 0.00 C ATOM 33 O VAL A 22 -10.511 -6.603 0.497 1.00 0.00 O ATOM 34 CB VAL A 22 -8.814 -6.478 2.670 1.00 0.00 C ATOM 35 CG1 VAL A 22 -8.339 -7.734 1.957 1.00 0.00 C ATOM 36 CG2 VAL A 22 -7.899 -6.174 3.850 1.00 0.00 C ATOM 0 H VAL A 22 -8.549 -3.304 2.363 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.888 -5.122 1.281 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.823 -6.656 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.301 -8.562 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.030 -7.978 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.345 -7.564 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.866 -7.036 4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.895 -5.958 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.281 -5.310 4.394 1.00 0.00 H new ATOM 46 N LEU A 23 -10.028 -4.576 -0.313 1.00 0.00 N ATOM 47 CA LEU A 23 -10.806 -4.763 -1.523 1.00 0.00 C ATOM 48 C LEU A 23 -9.843 -5.017 -2.675 1.00 0.00 C ATOM 49 O LEU A 23 -9.098 -4.122 -3.058 1.00 0.00 O ATOM 50 CB LEU A 23 -11.680 -3.529 -1.803 1.00 0.00 C ATOM 51 CG LEU A 23 -12.982 -3.791 -2.576 1.00 0.00 C ATOM 52 CD1 LEU A 23 -13.801 -2.514 -2.671 1.00 0.00 C ATOM 53 CD2 LEU A 23 -12.702 -4.334 -3.972 1.00 0.00 C ATOM 0 H LEU A 23 -9.628 -3.644 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.475 -5.615 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.933 -3.063 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.086 -2.807 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.549 -4.544 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.721 -2.712 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.046 -2.163 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.224 -1.750 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.645 -4.508 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.108 -3.611 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.152 -5.272 -3.894 1.00 0.00 H new ATOM 65 N PRO A 24 -9.825 -6.243 -3.217 1.00 0.00 N ATOM 66 CA PRO A 24 -8.919 -6.619 -4.314 1.00 0.00 C ATOM 67 C PRO A 24 -9.072 -5.715 -5.539 1.00 0.00 C ATOM 68 O PRO A 24 -9.974 -5.908 -6.359 1.00 0.00 O ATOM 69 CB PRO A 24 -9.341 -8.053 -4.648 1.00 0.00 C ATOM 70 CG PRO A 24 -9.991 -8.557 -3.408 1.00 0.00 C ATOM 71 CD PRO A 24 -10.675 -7.370 -2.796 1.00 0.00 C ATOM 0 HA PRO A 24 -7.872 -6.524 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.029 -8.076 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.481 -8.665 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.707 -9.347 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.255 -8.980 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.697 -7.262 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.729 -7.451 -1.710 1.00 0.00 H new ATOM 79 N ARG A 25 -8.186 -4.731 -5.656 1.00 0.00 N ATOM 80 CA ARG A 25 -8.253 -3.752 -6.734 1.00 0.00 C ATOM 81 C ARG A 25 -6.911 -3.646 -7.447 1.00 0.00 C ATOM 82 O ARG A 25 -6.026 -2.910 -7.018 1.00 0.00 O ATOM 83 CB ARG A 25 -8.654 -2.376 -6.189 1.00 0.00 C ATOM 84 CG ARG A 25 -10.009 -2.359 -5.500 1.00 0.00 C ATOM 85 CD ARG A 25 -10.307 -1.005 -4.875 1.00 0.00 C ATOM 86 NE ARG A 25 -10.546 0.036 -5.879 1.00 0.00 N ATOM 87 CZ ARG A 25 -10.541 1.344 -5.612 1.00 0.00 C ATOM 88 NH1 ARG A 25 -10.253 1.775 -4.388 1.00 0.00 N ATOM 89 NH2 ARG A 25 -10.812 2.222 -6.571 1.00 0.00 N ATOM 0 H ARG A 25 -7.408 -4.591 -5.012 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.008 -4.087 -7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.894 -2.040 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.666 -1.660 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.787 -2.605 -6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.035 -3.129 -4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.181 -1.091 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -9.471 -0.709 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.727 -0.257 -6.839 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.035 1.106 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.250 2.775 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.025 1.897 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.807 3.221 -6.364 1.00 0.00 H new ATOM 103 N GLU A 26 -6.777 -4.372 -8.549 1.00 0.00 N ATOM 104 CA GLU A 26 -5.542 -4.384 -9.328 1.00 0.00 C ATOM 105 C GLU A 26 -5.105 -2.979 -9.786 1.00 0.00 C ATOM 106 O GLU A 26 -3.918 -2.672 -9.738 1.00 0.00 O ATOM 107 CB GLU A 26 -5.678 -5.301 -10.541 1.00 0.00 C ATOM 108 CG GLU A 26 -4.385 -5.455 -11.319 1.00 0.00 C ATOM 109 CD GLU A 26 -4.569 -6.250 -12.587 1.00 0.00 C ATOM 110 OE1 GLU A 26 -4.808 -5.633 -13.645 1.00 0.00 O ATOM 111 OE2 GLU A 26 -4.478 -7.492 -12.530 1.00 0.00 O ATOM 0 H GLU A 26 -7.515 -4.966 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.766 -4.764 -8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.015 -6.283 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.448 -4.906 -11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.993 -4.468 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.642 -5.946 -10.690 1.00 0.00 H new ATOM 118 N PRO A 27 -6.028 -2.109 -10.271 1.00 0.00 N ATOM 119 CA PRO A 27 -5.678 -0.730 -10.650 1.00 0.00 C ATOM 120 C PRO A 27 -4.949 0.017 -9.534 1.00 0.00 C ATOM 121 O PRO A 27 -4.104 0.873 -9.793 1.00 0.00 O ATOM 122 CB PRO A 27 -7.032 -0.064 -10.940 1.00 0.00 C ATOM 123 CG PRO A 27 -8.067 -1.018 -10.454 1.00 0.00 C ATOM 124 CD PRO A 27 -7.452 -2.381 -10.528 1.00 0.00 C ATOM 0 HA PRO A 27 -4.995 -0.715 -11.500 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.113 0.895 -10.428 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.151 0.132 -12.006 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.365 -0.781 -9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.965 -0.963 -11.069 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.875 -3.057 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.606 -2.842 -11.503 1.00 0.00 H new ATOM 132 N LEU A 28 -5.255 -0.342 -8.292 1.00 0.00 N ATOM 133 CA LEU A 28 -4.660 0.314 -7.137 1.00 0.00 C ATOM 134 C LEU A 28 -3.188 -0.070 -7.006 1.00 0.00 C ATOM 135 O LEU A 28 -2.406 0.653 -6.394 1.00 0.00 O ATOM 136 CB LEU A 28 -5.444 -0.043 -5.869 1.00 0.00 C ATOM 137 CG LEU A 28 -5.088 0.764 -4.617 1.00 0.00 C ATOM 138 CD1 LEU A 28 -6.337 1.048 -3.801 1.00 0.00 C ATOM 139 CD2 LEU A 28 -4.070 0.020 -3.766 1.00 0.00 C ATOM 0 H LEU A 28 -5.914 -1.086 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.711 1.394 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.507 0.088 -6.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.288 -1.100 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.648 1.709 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.069 1.622 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.043 1.619 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.796 0.107 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.832 0.612 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.485 -0.940 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.162 -0.146 -4.346 1.00 0.00 H new ATOM 151 N ILE A 29 -2.811 -1.201 -7.598 1.00 0.00 N ATOM 152 CA ILE A 29 -1.418 -1.634 -7.611 1.00 0.00 C ATOM 153 C ILE A 29 -0.540 -0.578 -8.278 1.00 0.00 C ATOM 154 O ILE A 29 0.504 -0.202 -7.747 1.00 0.00 O ATOM 155 CB ILE A 29 -1.244 -2.982 -8.351 1.00 0.00 C ATOM 156 CG1 ILE A 29 -2.045 -4.086 -7.651 1.00 0.00 C ATOM 157 CG2 ILE A 29 0.228 -3.367 -8.439 1.00 0.00 C ATOM 158 CD1 ILE A 29 -1.602 -4.352 -6.232 1.00 0.00 C ATOM 0 H ILE A 29 -3.453 -1.834 -8.075 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.112 -1.768 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.627 -2.864 -9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.100 -3.810 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.958 -5.007 -8.228 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.325 -4.318 -8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.774 -2.596 -8.982 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.640 -3.463 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.214 -5.145 -5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.556 -4.659 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.715 -3.444 -5.639 1.00 0.00 H new ATOM 170 N ALA A 30 -0.989 -0.083 -9.426 1.00 0.00 N ATOM 171 CA ALA A 30 -0.254 0.943 -10.155 1.00 0.00 C ATOM 172 C ALA A 30 -0.165 2.213 -9.323 1.00 0.00 C ATOM 173 O ALA A 30 0.897 2.822 -9.209 1.00 0.00 O ATOM 174 CB ALA A 30 -0.917 1.223 -11.495 1.00 0.00 C ATOM 0 H ALA A 30 -1.859 -0.376 -9.872 1.00 0.00 H new ATOM 0 HA ALA A 30 0.757 0.582 -10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.355 1.991 -12.026 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.934 0.310 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.938 1.568 -11.331 1.00 0.00 H new ATOM 180 N THR A 31 -1.292 2.586 -8.724 1.00 0.00 N ATOM 181 CA THR A 31 -1.351 3.729 -7.827 1.00 0.00 C ATOM 182 C THR A 31 -0.362 3.561 -6.669 1.00 0.00 C ATOM 183 O THR A 31 0.289 4.517 -6.247 1.00 0.00 O ATOM 184 CB THR A 31 -2.779 3.896 -7.271 1.00 0.00 C ATOM 185 OG1 THR A 31 -3.717 3.955 -8.356 1.00 0.00 O ATOM 186 CG2 THR A 31 -2.896 5.156 -6.428 1.00 0.00 C ATOM 0 H THR A 31 -2.183 2.106 -8.847 1.00 0.00 H new ATOM 0 HA THR A 31 -1.079 4.620 -8.393 1.00 0.00 H new ATOM 0 HB THR A 31 -3.000 3.037 -6.637 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.624 4.059 -7.999 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.914 5.247 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.201 5.099 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.657 6.026 -7.039 1.00 0.00 H new ATOM 194 N ALA A 32 -0.238 2.333 -6.179 1.00 0.00 N ATOM 195 CA ALA A 32 0.649 2.034 -5.066 1.00 0.00 C ATOM 196 C ALA A 32 2.110 2.169 -5.469 1.00 0.00 C ATOM 197 O ALA A 32 2.879 2.826 -4.785 1.00 0.00 O ATOM 198 CB ALA A 32 0.375 0.641 -4.514 1.00 0.00 C ATOM 0 H ALA A 32 -0.745 1.525 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 32 0.449 2.763 -4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.050 0.440 -3.682 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.656 0.584 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.535 -0.099 -5.298 1.00 0.00 H new ATOM 204 N VAL A 33 2.483 1.565 -6.589 1.00 0.00 N ATOM 205 CA VAL A 33 3.874 1.588 -7.042 1.00 0.00 C ATOM 206 C VAL A 33 4.366 3.021 -7.265 1.00 0.00 C ATOM 207 O VAL A 33 5.462 3.381 -6.822 1.00 0.00 O ATOM 208 CB VAL A 33 4.066 0.768 -8.339 1.00 0.00 C ATOM 209 CG1 VAL A 33 5.513 0.826 -8.812 1.00 0.00 C ATOM 210 CG2 VAL A 33 3.636 -0.676 -8.126 1.00 0.00 C ATOM 0 H VAL A 33 1.847 1.054 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 33 4.467 1.131 -6.250 1.00 0.00 H new ATOM 0 HB VAL A 33 3.437 1.209 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.621 0.241 -9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.790 1.862 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.165 0.417 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.778 -1.238 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.237 -1.122 -7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.584 -0.704 -7.842 1.00 0.00 H new ATOM 220 N LYS A 34 3.551 3.841 -7.931 1.00 0.00 N ATOM 221 CA LYS A 34 3.924 5.233 -8.184 1.00 0.00 C ATOM 222 C LYS A 34 3.924 6.031 -6.888 1.00 0.00 C ATOM 223 O LYS A 34 4.589 7.059 -6.780 1.00 0.00 O ATOM 224 CB LYS A 34 3.008 5.872 -9.239 1.00 0.00 C ATOM 225 CG LYS A 34 1.546 5.998 -8.839 1.00 0.00 C ATOM 226 CD LYS A 34 1.310 7.176 -7.910 1.00 0.00 C ATOM 227 CE LYS A 34 -0.162 7.424 -7.703 1.00 0.00 C ATOM 228 NZ LYS A 34 -0.825 7.912 -8.941 1.00 0.00 N ATOM 0 H LYS A 34 2.640 3.570 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 34 4.937 5.246 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.390 6.865 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.068 5.282 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.934 6.113 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.224 5.079 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.787 6.985 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.776 8.069 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.642 6.502 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.298 8.156 -6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.046 8.923 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.189 7.775 -9.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.705 7.379 -9.097 1.00 0.00 H new ATOM 242 N PHE A 35 3.166 5.553 -5.913 1.00 0.00 N ATOM 243 CA PHE A 35 3.167 6.143 -4.590 1.00 0.00 C ATOM 244 C PHE A 35 4.495 5.840 -3.901 1.00 0.00 C ATOM 245 O PHE A 35 5.216 6.743 -3.481 1.00 0.00 O ATOM 246 CB PHE A 35 2.014 5.585 -3.769 1.00 0.00 C ATOM 247 CG PHE A 35 1.922 6.198 -2.416 1.00 0.00 C ATOM 248 CD1 PHE A 35 1.407 7.468 -2.254 1.00 0.00 C ATOM 249 CD2 PHE A 35 2.343 5.496 -1.304 1.00 0.00 C ATOM 250 CE1 PHE A 35 1.312 8.032 -1.002 1.00 0.00 C ATOM 251 CE2 PHE A 35 2.254 6.048 -0.052 1.00 0.00 C ATOM 252 CZ PHE A 35 1.768 7.353 0.092 1.00 0.00 C ATOM 0 H PHE A 35 2.541 4.754 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 35 3.043 7.223 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.079 5.752 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.135 4.506 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.075 8.025 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.747 4.501 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.876 9.013 -0.884 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.556 5.481 0.816 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.754 7.821 1.065 1.00 0.00 H new ATOM 262 N LEU A 36 4.818 4.553 -3.841 1.00 0.00 N ATOM 263 CA LEU A 36 6.007 4.063 -3.158 1.00 0.00 C ATOM 264 C LEU A 36 7.270 4.708 -3.709 1.00 0.00 C ATOM 265 O LEU A 36 8.047 5.319 -2.971 1.00 0.00 O ATOM 266 CB LEU A 36 6.106 2.544 -3.314 1.00 0.00 C ATOM 267 CG LEU A 36 4.831 1.768 -2.989 1.00 0.00 C ATOM 268 CD1 LEU A 36 5.011 0.290 -3.299 1.00 0.00 C ATOM 269 CD2 LEU A 36 4.431 1.969 -1.537 1.00 0.00 C ATOM 0 H LEU A 36 4.257 3.816 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 36 5.919 4.325 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.396 2.319 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.906 2.181 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 36 4.028 2.154 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.092 -0.246 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.240 0.165 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.830 -0.110 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.521 1.407 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.232 1.616 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.254 3.028 -1.352 1.00 0.00 H new ATOM 281 N GLN A 37 7.463 4.589 -5.011 1.00 0.00 N ATOM 282 CA GLN A 37 8.681 5.074 -5.635 1.00 0.00 C ATOM 283 C GLN A 37 8.492 6.476 -6.189 1.00 0.00 C ATOM 284 O GLN A 37 9.143 6.864 -7.159 1.00 0.00 O ATOM 285 CB GLN A 37 9.136 4.121 -6.739 1.00 0.00 C ATOM 286 CG GLN A 37 9.313 2.692 -6.256 1.00 0.00 C ATOM 287 CD GLN A 37 10.075 1.829 -7.239 1.00 0.00 C ATOM 288 OE1 GLN A 37 11.296 1.721 -7.163 1.00 0.00 O ATOM 289 NE2 GLN A 37 9.363 1.211 -8.166 1.00 0.00 N ATOM 0 H GLN A 37 6.795 4.163 -5.654 1.00 0.00 H new ATOM 0 HA GLN A 37 9.456 5.115 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.406 4.137 -7.548 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.079 4.478 -7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.840 2.699 -5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.333 2.250 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.350 1.328 -8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.827 0.617 -8.854 1.00 0.00 H new ATOM 298 N ASN A 38 7.590 7.233 -5.578 1.00 0.00 N ATOM 299 CA ASN A 38 7.421 8.632 -5.936 1.00 0.00 C ATOM 300 C ASN A 38 8.650 9.404 -5.494 1.00 0.00 C ATOM 301 O ASN A 38 9.262 10.125 -6.281 1.00 0.00 O ATOM 302 CB ASN A 38 6.168 9.222 -5.286 1.00 0.00 C ATOM 303 CG ASN A 38 5.797 10.570 -5.871 1.00 0.00 C ATOM 304 OD1 ASN A 38 6.244 11.617 -5.399 1.00 0.00 O ATOM 305 ND2 ASN A 38 4.970 10.549 -6.903 1.00 0.00 N ATOM 0 H ASN A 38 6.970 6.904 -4.838 1.00 0.00 H new ATOM 0 HA ASN A 38 7.301 8.708 -7.017 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.335 8.531 -5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.333 9.327 -4.214 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.678 11.423 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.624 9.659 -7.261 1.00 0.00 H new ATOM 312 N SER A 39 9.021 9.216 -4.232 1.00 0.00 N ATOM 313 CA SER A 39 10.219 9.829 -3.688 1.00 0.00 C ATOM 314 C SER A 39 10.507 9.331 -2.273 1.00 0.00 C ATOM 315 O SER A 39 11.467 8.592 -2.048 1.00 0.00 O ATOM 316 CB SER A 39 10.080 11.355 -3.689 1.00 0.00 C ATOM 317 OG SER A 39 8.871 11.761 -3.064 1.00 0.00 O ATOM 0 H SER A 39 8.504 8.641 -3.567 1.00 0.00 H new ATOM 0 HA SER A 39 11.058 9.544 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.928 11.800 -3.169 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.104 11.724 -4.714 1.00 0.00 H new ATOM 0 HG SER A 39 8.808 12.739 -3.077 1.00 0.00 H new ATOM 323 N ARG A 40 9.650 9.702 -1.330 1.00 0.00 N ATOM 324 CA ARG A 40 9.934 9.479 0.084 1.00 0.00 C ATOM 325 C ARG A 40 9.313 8.191 0.625 1.00 0.00 C ATOM 326 O ARG A 40 9.762 7.682 1.646 1.00 0.00 O ATOM 327 CB ARG A 40 9.448 10.670 0.913 1.00 0.00 C ATOM 328 CG ARG A 40 10.042 12.001 0.479 1.00 0.00 C ATOM 329 CD ARG A 40 9.804 13.081 1.522 1.00 0.00 C ATOM 330 NE ARG A 40 10.477 12.766 2.779 1.00 0.00 N ATOM 331 CZ ARG A 40 10.007 13.084 3.985 1.00 0.00 C ATOM 332 NH1 ARG A 40 8.862 13.747 4.106 1.00 0.00 N ATOM 333 NH2 ARG A 40 10.685 12.740 5.072 1.00 0.00 N ATOM 0 H ARG A 40 8.756 10.157 -1.516 1.00 0.00 H new ATOM 0 HA ARG A 40 11.016 9.375 0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.362 10.728 0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.694 10.497 1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.113 11.886 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.601 12.306 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.164 14.038 1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.734 13.189 1.698 1.00 0.00 H new ATOM 0 HE ARG A 40 11.367 12.269 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.338 14.015 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.507 13.988 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.565 12.232 4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.326 12.983 5.995 1.00 0.00 H new ATOM 347 N VAL A 41 8.298 7.655 -0.049 1.00 0.00 N ATOM 348 CA VAL A 41 7.585 6.484 0.470 1.00 0.00 C ATOM 349 C VAL A 41 8.501 5.263 0.556 1.00 0.00 C ATOM 350 O VAL A 41 8.383 4.452 1.474 1.00 0.00 O ATOM 351 CB VAL A 41 6.349 6.137 -0.379 1.00 0.00 C ATOM 352 CG1 VAL A 41 5.594 4.958 0.219 1.00 0.00 C ATOM 353 CG2 VAL A 41 5.438 7.341 -0.498 1.00 0.00 C ATOM 0 H VAL A 41 7.952 8.004 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 41 7.251 6.750 1.473 1.00 0.00 H new ATOM 0 HB VAL A 41 6.688 5.854 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.725 4.732 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.249 4.088 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.267 5.209 1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.568 7.081 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.112 7.650 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.978 8.160 -0.974 1.00 0.00 H new ATOM 363 N ARG A 42 9.422 5.138 -0.390 1.00 0.00 N ATOM 364 CA ARG A 42 10.421 4.072 -0.350 1.00 0.00 C ATOM 365 C ARG A 42 11.241 4.146 0.937 1.00 0.00 C ATOM 366 O ARG A 42 11.718 3.129 1.442 1.00 0.00 O ATOM 367 CB ARG A 42 11.367 4.191 -1.549 1.00 0.00 C ATOM 368 CG ARG A 42 10.865 3.545 -2.827 1.00 0.00 C ATOM 369 CD ARG A 42 11.007 2.030 -2.782 1.00 0.00 C ATOM 370 NE ARG A 42 12.386 1.610 -2.489 1.00 0.00 N ATOM 371 CZ ARG A 42 13.051 0.673 -3.175 1.00 0.00 C ATOM 372 NH1 ARG A 42 12.492 0.097 -4.235 1.00 0.00 N ATOM 373 NH2 ARG A 42 14.278 0.316 -2.799 1.00 0.00 N ATOM 0 H ARG A 42 9.500 5.760 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 42 9.896 3.118 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 42 11.553 5.247 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 42 12.324 3.742 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.819 3.809 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.422 3.938 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.337 1.626 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.696 1.609 -3.738 1.00 0.00 H new ATOM 0 HE ARG A 42 12.867 2.063 -1.712 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.553 0.369 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.002 -0.617 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.711 0.757 -1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.784 -0.398 -3.322 1.00 0.00 H new ATOM 387 N GLN A 43 11.395 5.359 1.453 1.00 0.00 N ATOM 388 CA GLN A 43 12.199 5.608 2.643 1.00 0.00 C ATOM 389 C GLN A 43 11.304 5.718 3.883 1.00 0.00 C ATOM 390 O GLN A 43 11.788 5.821 5.013 1.00 0.00 O ATOM 391 CB GLN A 43 13.014 6.892 2.434 1.00 0.00 C ATOM 392 CG GLN A 43 14.008 7.202 3.542 1.00 0.00 C ATOM 393 CD GLN A 43 14.844 8.427 3.236 1.00 0.00 C ATOM 394 OE1 GLN A 43 14.460 9.552 3.559 1.00 0.00 O ATOM 395 NE2 GLN A 43 15.999 8.220 2.619 1.00 0.00 N ATOM 0 H GLN A 43 10.967 6.197 1.059 1.00 0.00 H new ATOM 0 HA GLN A 43 12.882 4.774 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.555 6.813 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.325 7.731 2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.470 7.356 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.664 6.344 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.281 7.272 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.606 9.009 2.395 1.00 0.00 H new ATOM 404 N SER A 44 9.994 5.681 3.658 1.00 0.00 N ATOM 405 CA SER A 44 9.019 5.758 4.737 1.00 0.00 C ATOM 406 C SER A 44 8.853 4.393 5.396 1.00 0.00 C ATOM 407 O SER A 44 8.966 3.360 4.733 1.00 0.00 O ATOM 408 CB SER A 44 7.672 6.241 4.186 1.00 0.00 C ATOM 409 OG SER A 44 7.804 7.509 3.567 1.00 0.00 O ATOM 0 H SER A 44 9.582 5.597 2.729 1.00 0.00 H new ATOM 0 HA SER A 44 9.375 6.467 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.289 5.518 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.944 6.301 4.995 1.00 0.00 H new ATOM 0 HG SER A 44 8.601 7.513 2.997 1.00 0.00 H new ATOM 415 N PRO A 45 8.592 4.383 6.714 1.00 0.00 N ATOM 416 CA PRO A 45 8.430 3.148 7.487 1.00 0.00 C ATOM 417 C PRO A 45 7.413 2.194 6.870 1.00 0.00 C ATOM 418 O PRO A 45 6.309 2.592 6.474 1.00 0.00 O ATOM 419 CB PRO A 45 7.941 3.642 8.848 1.00 0.00 C ATOM 420 CG PRO A 45 8.452 5.036 8.953 1.00 0.00 C ATOM 421 CD PRO A 45 8.442 5.585 7.555 1.00 0.00 C ATOM 0 HA PRO A 45 9.357 2.577 7.531 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.853 3.614 8.912 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.324 3.019 9.656 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.823 5.634 9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.458 5.053 9.372 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.514 6.114 7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.257 6.291 7.395 1.00 0.00 H new ATOM 429 N LEU A 46 7.798 0.926 6.804 1.00 0.00 N ATOM 430 CA LEU A 46 6.989 -0.102 6.162 1.00 0.00 C ATOM 431 C LEU A 46 5.670 -0.303 6.890 1.00 0.00 C ATOM 432 O LEU A 46 4.677 -0.698 6.277 1.00 0.00 O ATOM 433 CB LEU A 46 7.745 -1.436 6.088 1.00 0.00 C ATOM 434 CG LEU A 46 8.877 -1.511 5.054 1.00 0.00 C ATOM 435 CD1 LEU A 46 10.080 -0.673 5.475 1.00 0.00 C ATOM 436 CD2 LEU A 46 9.287 -2.957 4.833 1.00 0.00 C ATOM 0 H LEU A 46 8.676 0.582 7.192 1.00 0.00 H new ATOM 0 HA LEU A 46 6.780 0.242 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.163 -1.649 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.027 -2.226 5.869 1.00 0.00 H new ATOM 0 HG LEU A 46 8.503 -1.099 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.861 -0.751 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.779 0.369 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.462 -1.038 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.091 -2.999 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.633 -3.385 5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.432 -3.526 4.469 1.00 0.00 H new ATOM 448 N ALA A 47 5.665 -0.029 8.189 1.00 0.00 N ATOM 449 CA ALA A 47 4.460 -0.170 8.998 1.00 0.00 C ATOM 450 C ALA A 47 3.332 0.681 8.429 1.00 0.00 C ATOM 451 O ALA A 47 2.228 0.182 8.201 1.00 0.00 O ATOM 452 CB ALA A 47 4.744 0.200 10.445 1.00 0.00 C ATOM 0 H ALA A 47 6.483 0.293 8.706 1.00 0.00 H new ATOM 0 HA ALA A 47 4.144 -1.213 8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.834 0.089 11.034 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.517 -0.457 10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.085 1.234 10.496 1.00 0.00 H new ATOM 458 N THR A 48 3.624 1.957 8.185 1.00 0.00 N ATOM 459 CA THR A 48 2.676 2.850 7.534 1.00 0.00 C ATOM 460 C THR A 48 2.264 2.304 6.179 1.00 0.00 C ATOM 461 O THR A 48 1.089 2.077 5.938 1.00 0.00 O ATOM 462 CB THR A 48 3.261 4.264 7.336 1.00 0.00 C ATOM 463 OG1 THR A 48 3.578 4.839 8.610 1.00 0.00 O ATOM 464 CG2 THR A 48 2.281 5.165 6.580 1.00 0.00 C ATOM 0 H THR A 48 4.513 2.394 8.430 1.00 0.00 H new ATOM 0 HA THR A 48 1.808 2.915 8.190 1.00 0.00 H new ATOM 0 HB THR A 48 4.170 4.181 6.740 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.951 5.736 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.719 6.155 6.455 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.072 4.734 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.353 5.248 7.145 1.00 0.00 H new ATOM 472 N ARG A 49 3.250 2.053 5.323 1.00 0.00 N ATOM 473 CA ARG A 49 2.992 1.719 3.923 1.00 0.00 C ATOM 474 C ARG A 49 2.069 0.512 3.767 1.00 0.00 C ATOM 475 O ARG A 49 1.161 0.529 2.941 1.00 0.00 O ATOM 476 CB ARG A 49 4.295 1.437 3.182 1.00 0.00 C ATOM 477 CG ARG A 49 5.370 2.487 3.382 1.00 0.00 C ATOM 478 CD ARG A 49 6.510 2.290 2.397 1.00 0.00 C ATOM 479 NE ARG A 49 7.046 0.931 2.414 1.00 0.00 N ATOM 480 CZ ARG A 49 8.263 0.615 1.978 1.00 0.00 C ATOM 481 NH1 ARG A 49 9.117 1.572 1.641 1.00 0.00 N ATOM 482 NH2 ARG A 49 8.633 -0.655 1.902 1.00 0.00 N ATOM 0 H ARG A 49 4.238 2.074 5.574 1.00 0.00 H new ATOM 0 HA ARG A 49 2.495 2.589 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.682 0.472 3.508 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.082 1.352 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.941 3.481 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.752 2.433 4.402 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.160 2.525 1.392 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.310 2.994 2.629 1.00 0.00 H new ATOM 0 HE ARG A 49 6.456 0.184 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.841 2.551 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.050 1.329 1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.985 -1.392 2.178 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.566 -0.895 1.568 1.00 0.00 H new ATOM 496 N ARG A 50 2.300 -0.528 4.558 1.00 0.00 N ATOM 497 CA ARG A 50 1.548 -1.770 4.410 1.00 0.00 C ATOM 498 C ARG A 50 0.089 -1.593 4.829 1.00 0.00 C ATOM 499 O ARG A 50 -0.825 -1.978 4.097 1.00 0.00 O ATOM 500 CB ARG A 50 2.214 -2.899 5.199 1.00 0.00 C ATOM 501 CG ARG A 50 3.643 -3.168 4.749 1.00 0.00 C ATOM 502 CD ARG A 50 4.236 -4.403 5.407 1.00 0.00 C ATOM 503 NE ARG A 50 4.213 -4.331 6.870 1.00 0.00 N ATOM 504 CZ ARG A 50 4.843 -5.196 7.668 1.00 0.00 C ATOM 505 NH1 ARG A 50 5.606 -6.156 7.149 1.00 0.00 N ATOM 506 NH2 ARG A 50 4.724 -5.084 8.985 1.00 0.00 N ATOM 0 H ARG A 50 2.996 -0.538 5.303 1.00 0.00 H new ATOM 0 HA ARG A 50 1.553 -2.041 3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.213 -2.645 6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.625 -3.810 5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.663 -3.292 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.263 -2.302 4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.682 -5.284 5.082 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.265 -4.531 5.070 1.00 0.00 H new ATOM 0 HE ARG A 50 3.684 -3.575 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.711 -6.233 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.085 -6.814 7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.153 -4.339 9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.204 -5.743 9.598 1.00 0.00 H new ATOM 520 N ALA A 51 -0.132 -0.997 5.994 1.00 0.00 N ATOM 521 CA ALA A 51 -1.488 -0.724 6.456 1.00 0.00 C ATOM 522 C ALA A 51 -2.158 0.279 5.525 1.00 0.00 C ATOM 523 O ALA A 51 -3.339 0.164 5.208 1.00 0.00 O ATOM 524 CB ALA A 51 -1.467 -0.195 7.882 1.00 0.00 C ATOM 0 H ALA A 51 0.604 -0.695 6.633 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.059 -1.652 6.445 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.487 0.004 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.012 -0.936 8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.888 0.727 7.919 1.00 0.00 H new ATOM 530 N PHE A 52 -1.363 1.239 5.081 1.00 0.00 N ATOM 531 CA PHE A 52 -1.791 2.294 4.175 1.00 0.00 C ATOM 532 C PHE A 52 -2.550 1.750 2.965 1.00 0.00 C ATOM 533 O PHE A 52 -3.755 1.974 2.839 1.00 0.00 O ATOM 534 CB PHE A 52 -0.562 3.079 3.739 1.00 0.00 C ATOM 535 CG PHE A 52 -0.807 4.036 2.636 1.00 0.00 C ATOM 536 CD1 PHE A 52 -0.273 3.797 1.389 1.00 0.00 C ATOM 537 CD2 PHE A 52 -1.549 5.180 2.846 1.00 0.00 C ATOM 538 CE1 PHE A 52 -0.468 4.683 0.368 1.00 0.00 C ATOM 539 CE2 PHE A 52 -1.755 6.070 1.823 1.00 0.00 C ATOM 540 CZ PHE A 52 -1.208 5.820 0.581 1.00 0.00 C ATOM 0 H PHE A 52 -0.380 1.309 5.346 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.489 2.946 4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.171 3.625 4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.212 2.377 3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.305 2.901 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.970 5.376 3.821 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.041 4.490 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.342 6.961 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.362 6.521 -0.226 1.00 0.00 H new ATOM 550 N LEU A 53 -1.863 1.022 2.088 1.00 0.00 N ATOM 551 CA LEU A 53 -2.482 0.566 0.848 1.00 0.00 C ATOM 552 C LEU A 53 -3.573 -0.475 1.100 1.00 0.00 C ATOM 553 O LEU A 53 -4.549 -0.534 0.352 1.00 0.00 O ATOM 554 CB LEU A 53 -1.433 0.068 -0.162 1.00 0.00 C ATOM 555 CG LEU A 53 -0.140 -0.512 0.420 1.00 0.00 C ATOM 556 CD1 LEU A 53 -0.385 -1.854 1.077 1.00 0.00 C ATOM 557 CD2 LEU A 53 0.914 -0.637 -0.668 1.00 0.00 C ATOM 0 H LEU A 53 -0.891 0.739 2.211 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.972 1.430 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.897 -0.695 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.169 0.899 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 53 0.222 0.172 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.552 -2.238 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.107 -1.737 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.777 -2.554 0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.829 -1.050 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.549 -1.298 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.122 0.347 -1.088 1.00 0.00 H new ATOM 569 N LYS A 54 -3.441 -1.265 2.167 1.00 0.00 N ATOM 570 CA LYS A 54 -4.509 -2.191 2.551 1.00 0.00 C ATOM 571 C LYS A 54 -5.801 -1.422 2.828 1.00 0.00 C ATOM 572 O LYS A 54 -6.890 -1.838 2.423 1.00 0.00 O ATOM 573 CB LYS A 54 -4.124 -2.991 3.795 1.00 0.00 C ATOM 574 CG LYS A 54 -3.124 -4.099 3.546 1.00 0.00 C ATOM 575 CD LYS A 54 -2.619 -4.659 4.869 1.00 0.00 C ATOM 576 CE LYS A 54 -1.569 -5.742 4.679 1.00 0.00 C ATOM 577 NZ LYS A 54 -2.152 -7.017 4.189 1.00 0.00 N ATOM 0 H LYS A 54 -2.620 -1.284 2.772 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.663 -2.882 1.723 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.712 -2.308 4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.027 -3.424 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.588 -4.893 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.287 -3.719 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.198 -3.850 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.459 -5.066 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.816 -5.394 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.059 -5.919 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.391 -7.640 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.664 -7.485 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.810 -6.820 3.408 1.00 0.00 H new ATOM 591 N LYS A 55 -5.656 -0.294 3.515 1.00 0.00 N ATOM 592 CA LYS A 55 -6.789 0.548 3.887 1.00 0.00 C ATOM 593 C LYS A 55 -7.316 1.328 2.693 1.00 0.00 C ATOM 594 O LYS A 55 -8.505 1.636 2.618 1.00 0.00 O ATOM 595 CB LYS A 55 -6.384 1.509 5.004 1.00 0.00 C ATOM 596 CG LYS A 55 -6.045 0.795 6.307 1.00 0.00 C ATOM 597 CD LYS A 55 -5.625 1.775 7.391 1.00 0.00 C ATOM 598 CE LYS A 55 -6.735 2.768 7.710 1.00 0.00 C ATOM 599 NZ LYS A 55 -7.971 2.096 8.196 1.00 0.00 N ATOM 0 H LYS A 55 -4.753 0.062 3.829 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.588 -0.102 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.522 2.092 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.196 2.214 5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.910 0.226 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.242 0.079 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.356 1.227 8.294 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.735 2.315 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.385 3.471 8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.967 3.349 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.628 2.808 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.424 1.591 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.726 1.418 8.946 1.00 0.00 H new ATOM 613 N LYS A 56 -6.428 1.657 1.764 1.00 0.00 N ATOM 614 CA LYS A 56 -6.824 2.347 0.544 1.00 0.00 C ATOM 615 C LYS A 56 -7.741 1.456 -0.283 1.00 0.00 C ATOM 616 O LYS A 56 -8.577 1.935 -1.055 1.00 0.00 O ATOM 617 CB LYS A 56 -5.598 2.721 -0.290 1.00 0.00 C ATOM 618 CG LYS A 56 -4.584 3.605 0.423 1.00 0.00 C ATOM 619 CD LYS A 56 -5.168 4.948 0.831 1.00 0.00 C ATOM 620 CE LYS A 56 -5.519 4.983 2.308 1.00 0.00 C ATOM 621 NZ LYS A 56 -6.032 6.312 2.722 1.00 0.00 N ATOM 0 H LYS A 56 -5.430 1.457 1.832 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.352 3.259 0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.100 1.805 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.933 3.232 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.216 3.088 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.727 3.768 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.452 5.739 0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.061 5.151 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.269 4.221 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.636 4.735 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.260 6.295 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.307 7.035 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.889 6.538 2.178 1.00 0.00 H new ATOM 635 N GLY A 57 -7.569 0.153 -0.106 1.00 0.00 N ATOM 636 CA GLY A 57 -8.366 -0.817 -0.817 1.00 0.00 C ATOM 637 C GLY A 57 -7.495 -1.831 -1.516 1.00 0.00 C ATOM 638 O GLY A 57 -7.452 -1.871 -2.742 1.00 0.00 O ATOM 0 H GLY A 57 -6.880 -0.250 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.033 -1.325 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.996 -0.309 -1.548 1.00 0.00 H new ATOM 642 N LEU A 58 -6.780 -2.635 -0.736 1.00 0.00 N ATOM 643 CA LEU A 58 -5.882 -3.629 -1.301 1.00 0.00 C ATOM 644 C LEU A 58 -5.744 -4.822 -0.359 1.00 0.00 C ATOM 645 O LEU A 58 -5.757 -4.670 0.864 1.00 0.00 O ATOM 646 CB LEU A 58 -4.507 -3.010 -1.556 1.00 0.00 C ATOM 647 CG LEU A 58 -3.676 -3.711 -2.623 1.00 0.00 C ATOM 648 CD1 LEU A 58 -4.303 -3.507 -3.995 1.00 0.00 C ATOM 649 CD2 LEU A 58 -2.240 -3.213 -2.597 1.00 0.00 C ATOM 0 H LEU A 58 -6.806 -2.616 0.283 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.301 -3.975 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.642 -1.968 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.946 -3.009 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.661 -4.780 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.700 -4.013 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.311 -3.921 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.347 -2.441 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.663 -3.726 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.224 -2.140 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.802 -3.416 -1.620 1.00 0.00 H new ATOM 661 N THR A 59 -5.621 -6.004 -0.938 1.00 0.00 N ATOM 662 CA THR A 59 -5.497 -7.237 -0.174 1.00 0.00 C ATOM 663 C THR A 59 -4.035 -7.528 0.161 1.00 0.00 C ATOM 664 O THR A 59 -3.135 -6.929 -0.423 1.00 0.00 O ATOM 665 CB THR A 59 -6.041 -8.419 -0.984 1.00 0.00 C ATOM 666 OG1 THR A 59 -7.214 -8.021 -1.697 1.00 0.00 O ATOM 667 CG2 THR A 59 -6.369 -9.615 -0.103 1.00 0.00 C ATOM 0 H THR A 59 -5.604 -6.138 -1.949 1.00 0.00 H new ATOM 0 HA THR A 59 -6.067 -7.110 0.746 1.00 0.00 H new ATOM 0 HB THR A 59 -5.260 -8.721 -1.682 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.963 -7.712 -2.593 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.751 -10.428 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.468 -9.945 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.124 -9.331 0.630 1.00 0.00 H new ATOM 675 N ASP A 60 -3.808 -8.461 1.079 1.00 0.00 N ATOM 676 CA ASP A 60 -2.463 -8.868 1.481 1.00 0.00 C ATOM 677 C ASP A 60 -1.588 -9.208 0.273 1.00 0.00 C ATOM 678 O ASP A 60 -0.533 -8.601 0.059 1.00 0.00 O ATOM 679 CB ASP A 60 -2.556 -10.094 2.387 1.00 0.00 C ATOM 680 CG ASP A 60 -3.498 -9.890 3.554 1.00 0.00 C ATOM 681 OD1 ASP A 60 -4.724 -10.017 3.356 1.00 0.00 O ATOM 682 OD2 ASP A 60 -3.021 -9.603 4.672 1.00 0.00 O ATOM 0 H ASP A 60 -4.552 -8.959 1.568 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.005 -8.032 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.891 -10.949 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.563 -10.337 2.765 1.00 0.00 H new ATOM 687 N GLU A 61 -2.053 -10.164 -0.523 1.00 0.00 N ATOM 688 CA GLU A 61 -1.313 -10.644 -1.688 1.00 0.00 C ATOM 689 C GLU A 61 -1.021 -9.518 -2.676 1.00 0.00 C ATOM 690 O GLU A 61 -0.049 -9.566 -3.428 1.00 0.00 O ATOM 691 CB GLU A 61 -2.106 -11.743 -2.392 1.00 0.00 C ATOM 692 CG GLU A 61 -3.494 -11.304 -2.830 1.00 0.00 C ATOM 693 CD GLU A 61 -4.137 -12.297 -3.774 1.00 0.00 C ATOM 694 OE1 GLU A 61 -4.833 -13.219 -3.296 1.00 0.00 O ATOM 695 OE2 GLU A 61 -3.935 -12.168 -5.001 1.00 0.00 O ATOM 0 H GLU A 61 -2.950 -10.628 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.361 -11.039 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.548 -12.080 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.198 -12.599 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.127 -11.178 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.428 -10.332 -3.318 1.00 0.00 H new ATOM 702 N GLU A 62 -1.873 -8.511 -2.684 1.00 0.00 N ATOM 703 CA GLU A 62 -1.717 -7.402 -3.597 1.00 0.00 C ATOM 704 C GLU A 62 -0.669 -6.421 -3.085 1.00 0.00 C ATOM 705 O GLU A 62 -0.012 -5.743 -3.876 1.00 0.00 O ATOM 706 CB GLU A 62 -3.053 -6.706 -3.810 1.00 0.00 C ATOM 707 CG GLU A 62 -4.122 -7.610 -4.393 1.00 0.00 C ATOM 708 CD GLU A 62 -5.442 -6.897 -4.566 1.00 0.00 C ATOM 709 OE1 GLU A 62 -6.074 -6.547 -3.550 1.00 0.00 O ATOM 710 OE2 GLU A 62 -5.851 -6.687 -5.727 1.00 0.00 O ATOM 0 H GLU A 62 -2.681 -8.441 -2.066 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.371 -7.788 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.403 -6.311 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.908 -5.854 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.787 -7.990 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.260 -8.473 -3.742 1.00 0.00 H new ATOM 717 N ILE A 63 -0.494 -6.348 -1.766 1.00 0.00 N ATOM 718 CA ILE A 63 0.508 -5.449 -1.215 1.00 0.00 C ATOM 719 C ILE A 63 1.901 -5.971 -1.538 1.00 0.00 C ATOM 720 O ILE A 63 2.819 -5.187 -1.775 1.00 0.00 O ATOM 721 CB ILE A 63 0.374 -5.197 0.313 1.00 0.00 C ATOM 722 CG1 ILE A 63 1.057 -6.290 1.135 1.00 0.00 C ATOM 723 CG2 ILE A 63 -1.091 -5.089 0.704 1.00 0.00 C ATOM 724 CD1 ILE A 63 1.217 -5.929 2.595 1.00 0.00 C ATOM 0 H ILE A 63 -1.020 -6.887 -1.078 1.00 0.00 H new ATOM 0 HA ILE A 63 0.339 -4.482 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 63 0.877 -4.255 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.477 -7.210 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.039 -6.495 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.169 -4.913 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.551 -4.261 0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.605 -6.016 0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.709 -6.748 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.822 -5.027 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.236 -5.752 3.036 1.00 0.00 H new ATOM 736 N ASP A 64 2.064 -7.299 -1.570 1.00 0.00 N ATOM 737 CA ASP A 64 3.334 -7.856 -2.016 1.00 0.00 C ATOM 738 C ASP A 64 3.431 -7.794 -3.518 1.00 0.00 C ATOM 739 O ASP A 64 4.515 -7.750 -4.054 1.00 0.00 O ATOM 740 CB ASP A 64 3.601 -9.288 -1.541 1.00 0.00 C ATOM 741 CG ASP A 64 2.617 -10.320 -2.052 1.00 0.00 C ATOM 742 OD1 ASP A 64 2.691 -10.671 -3.247 1.00 0.00 O ATOM 743 OD2 ASP A 64 1.738 -10.747 -1.274 1.00 0.00 O ATOM 0 H ASP A 64 1.356 -7.983 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 64 4.102 -7.236 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.605 -9.578 -1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.588 -9.303 -0.451 1.00 0.00 H new ATOM 748 N MET A 65 2.306 -7.789 -4.205 1.00 0.00 N ATOM 749 CA MET A 65 2.344 -7.584 -5.640 1.00 0.00 C ATOM 750 C MET A 65 3.050 -6.263 -5.929 1.00 0.00 C ATOM 751 O MET A 65 4.022 -6.207 -6.694 1.00 0.00 O ATOM 752 CB MET A 65 0.935 -7.581 -6.238 1.00 0.00 C ATOM 753 CG MET A 65 0.902 -7.479 -7.759 1.00 0.00 C ATOM 754 SD MET A 65 1.247 -9.046 -8.600 1.00 0.00 S ATOM 755 CE MET A 65 2.933 -9.393 -8.095 1.00 0.00 C ATOM 0 H MET A 65 1.376 -7.921 -3.806 1.00 0.00 H new ATOM 0 HA MET A 65 2.891 -8.405 -6.103 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.422 -8.494 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.375 -6.746 -5.817 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.079 -7.118 -8.069 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.631 -6.736 -8.081 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.400 -10.059 -8.820 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.496 -8.461 -8.043 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.928 -9.870 -7.115 1.00 0.00 H new ATOM 765 N ALA A 66 2.591 -5.218 -5.251 1.00 0.00 N ATOM 766 CA ALA A 66 3.181 -3.896 -5.386 1.00 0.00 C ATOM 767 C ALA A 66 4.601 -3.856 -4.817 1.00 0.00 C ATOM 768 O ALA A 66 5.546 -3.555 -5.535 1.00 0.00 O ATOM 769 CB ALA A 66 2.305 -2.853 -4.705 1.00 0.00 C ATOM 0 H ALA A 66 1.808 -5.263 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 66 3.243 -3.665 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.760 -1.868 -4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.317 -2.850 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.210 -3.093 -3.646 1.00 0.00 H new ATOM 775 N PHE A 67 4.752 -4.198 -3.538 1.00 0.00 N ATOM 776 CA PHE A 67 6.040 -4.061 -2.854 1.00 0.00 C ATOM 777 C PHE A 67 7.116 -4.992 -3.405 1.00 0.00 C ATOM 778 O PHE A 67 8.279 -4.599 -3.506 1.00 0.00 O ATOM 779 CB PHE A 67 5.893 -4.280 -1.346 1.00 0.00 C ATOM 780 CG PHE A 67 5.545 -3.027 -0.595 1.00 0.00 C ATOM 781 CD1 PHE A 67 6.208 -1.832 -0.837 1.00 0.00 C ATOM 782 CD2 PHE A 67 4.543 -3.047 0.360 1.00 0.00 C ATOM 783 CE1 PHE A 67 5.868 -0.688 -0.139 1.00 0.00 C ATOM 784 CE2 PHE A 67 4.206 -1.913 1.056 1.00 0.00 C ATOM 785 CZ PHE A 67 4.938 -0.693 0.773 1.00 0.00 C ATOM 0 H PHE A 67 4.002 -4.571 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 67 6.366 -3.038 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.121 -5.028 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.825 -4.684 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.995 -1.795 -1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.018 -3.969 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.387 0.234 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.418 -1.929 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.712 0.211 1.319 1.00 0.00 H new ATOM 795 N GLN A 68 6.742 -6.216 -3.756 1.00 0.00 N ATOM 796 CA GLN A 68 7.713 -7.179 -4.262 1.00 0.00 C ATOM 797 C GLN A 68 8.266 -6.706 -5.598 1.00 0.00 C ATOM 798 O GLN A 68 9.477 -6.718 -5.815 1.00 0.00 O ATOM 799 CB GLN A 68 7.095 -8.575 -4.408 1.00 0.00 C ATOM 800 CG GLN A 68 8.056 -9.653 -4.891 1.00 0.00 C ATOM 801 CD GLN A 68 9.169 -9.954 -3.903 1.00 0.00 C ATOM 802 OE1 GLN A 68 9.625 -9.078 -3.169 1.00 0.00 O ATOM 803 NE2 GLN A 68 9.613 -11.201 -3.878 1.00 0.00 N ATOM 0 H GLN A 68 5.784 -6.563 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 68 8.526 -7.249 -3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.686 -8.878 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.259 -8.515 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.496 -10.568 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.496 -9.340 -5.838 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.209 -11.899 -4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 68 10.359 -11.464 -3.234 1.00 0.00 H new ATOM 812 N GLN A 69 7.380 -6.259 -6.486 1.00 0.00 N ATOM 813 CA GLN A 69 7.810 -5.788 -7.797 1.00 0.00 C ATOM 814 C GLN A 69 8.412 -4.386 -7.712 1.00 0.00 C ATOM 815 O GLN A 69 9.172 -3.973 -8.586 1.00 0.00 O ATOM 816 CB GLN A 69 6.648 -5.813 -8.787 1.00 0.00 C ATOM 817 CG GLN A 69 6.094 -7.209 -9.024 1.00 0.00 C ATOM 818 CD GLN A 69 7.166 -8.201 -9.440 1.00 0.00 C ATOM 819 OE1 GLN A 69 7.786 -8.854 -8.599 1.00 0.00 O ATOM 820 NE2 GLN A 69 7.399 -8.315 -10.736 1.00 0.00 N ATOM 0 H GLN A 69 6.374 -6.214 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 69 8.585 -6.465 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.849 -5.170 -8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.979 -5.394 -9.737 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.610 -7.563 -8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.326 -7.165 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.864 -7.757 -11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.114 -8.961 -11.071 1.00 0.00 H new ATOM 829 N SER A 70 8.077 -3.658 -6.655 1.00 0.00 N ATOM 830 CA SER A 70 8.640 -2.337 -6.435 1.00 0.00 C ATOM 831 C SER A 70 10.042 -2.449 -5.842 1.00 0.00 C ATOM 832 O SER A 70 10.793 -1.477 -5.821 1.00 0.00 O ATOM 833 CB SER A 70 7.739 -1.515 -5.509 1.00 0.00 C ATOM 834 OG SER A 70 8.222 -0.190 -5.358 1.00 0.00 O ATOM 0 H SER A 70 7.418 -3.962 -5.938 1.00 0.00 H new ATOM 0 HA SER A 70 8.706 -1.828 -7.396 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.726 -1.491 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.682 -1.997 -4.533 1.00 0.00 H new ATOM 0 HG SER A 70 9.172 -0.159 -5.598 1.00 0.00 H new ATOM 840 N GLY A 71 10.376 -3.642 -5.351 1.00 0.00 N ATOM 841 CA GLY A 71 11.705 -3.897 -4.823 1.00 0.00 C ATOM 842 C GLY A 71 11.883 -3.383 -3.408 1.00 0.00 C ATOM 843 O GLY A 71 12.992 -3.042 -3.002 1.00 0.00 O ATOM 0 H GLY A 71 9.743 -4.441 -5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.899 -4.969 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.445 -3.427 -5.471 1.00 0.00 H new ATOM 847 N THR A 72 10.795 -3.330 -2.654 1.00 0.00 N ATOM 848 CA THR A 72 10.847 -2.838 -1.287 1.00 0.00 C ATOM 849 C THR A 72 9.850 -3.599 -0.405 1.00 0.00 C ATOM 850 O THR A 72 9.073 -3.019 0.356 1.00 0.00 O ATOM 851 CB THR A 72 10.608 -1.306 -1.241 1.00 0.00 C ATOM 852 OG1 THR A 72 10.694 -0.809 0.104 1.00 0.00 O ATOM 853 CG2 THR A 72 9.265 -0.931 -1.849 1.00 0.00 C ATOM 0 H THR A 72 9.868 -3.621 -2.965 1.00 0.00 H new ATOM 0 HA THR A 72 11.845 -3.020 -0.888 1.00 0.00 H new ATOM 0 HB THR A 72 11.394 -0.842 -1.837 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.164 0.051 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.132 0.150 -1.799 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.234 -1.253 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.465 -1.421 -1.294 1.00 0.00 H new ATOM 861 N ALA A 73 9.887 -4.918 -0.515 1.00 0.00 N ATOM 862 CA ALA A 73 9.026 -5.782 0.280 1.00 0.00 C ATOM 863 C ALA A 73 9.729 -6.178 1.572 1.00 0.00 C ATOM 864 O ALA A 73 9.078 -6.479 2.578 1.00 0.00 O ATOM 865 CB ALA A 73 8.630 -7.016 -0.517 1.00 0.00 C ATOM 0 H ALA A 73 10.508 -5.417 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 73 8.118 -5.235 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.987 -7.651 0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.094 -6.712 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.525 -7.570 -0.798 1.00 0.00 H new ATOM 871 N ALA A 74 11.063 -6.171 1.512 1.00 0.00 N ATOM 872 CA ALA A 74 11.926 -6.462 2.657 1.00 0.00 C ATOM 873 C ALA A 74 11.875 -7.939 3.047 1.00 0.00 C ATOM 874 O ALA A 74 12.798 -8.696 2.742 1.00 0.00 O ATOM 875 CB ALA A 74 11.589 -5.571 3.847 1.00 0.00 C ATOM 0 H ALA A 74 11.579 -5.961 0.657 1.00 0.00 H new ATOM 0 HA ALA A 74 12.948 -6.241 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.248 -5.813 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.724 -4.526 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.553 -5.736 4.144 1.00 0.00 H new ATOM 881 N ASP A 75 10.796 -8.352 3.700 1.00 0.00 N ATOM 882 CA ASP A 75 10.680 -9.727 4.174 1.00 0.00 C ATOM 883 C ASP A 75 9.410 -10.375 3.644 1.00 0.00 C ATOM 884 O ASP A 75 9.388 -10.920 2.539 1.00 0.00 O ATOM 885 CB ASP A 75 10.675 -9.793 5.708 1.00 0.00 C ATOM 886 CG ASP A 75 11.849 -9.083 6.347 1.00 0.00 C ATOM 887 OD1 ASP A 75 12.883 -9.741 6.589 1.00 0.00 O ATOM 888 OD2 ASP A 75 11.757 -7.860 6.582 1.00 0.00 O ATOM 0 H ASP A 75 9.993 -7.760 3.913 1.00 0.00 H new ATOM 0 HA ASP A 75 11.549 -10.269 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.749 -9.354 6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 75 10.680 -10.838 6.019 1.00 0.00 H new ATOM 893 N GLU A 76 8.355 -10.304 4.444 1.00 0.00 N ATOM 894 CA GLU A 76 7.083 -10.913 4.101 1.00 0.00 C ATOM 895 C GLU A 76 5.947 -9.893 4.183 1.00 0.00 C ATOM 896 O GLU A 76 5.500 -9.525 5.270 1.00 0.00 O ATOM 897 CB GLU A 76 6.808 -12.106 5.026 1.00 0.00 C ATOM 898 CG GLU A 76 6.957 -11.779 6.504 1.00 0.00 C ATOM 899 CD GLU A 76 6.613 -12.949 7.395 1.00 0.00 C ATOM 900 OE1 GLU A 76 7.538 -13.671 7.816 1.00 0.00 O ATOM 901 OE2 GLU A 76 5.416 -13.153 7.675 1.00 0.00 O ATOM 0 H GLU A 76 8.359 -9.824 5.344 1.00 0.00 H new ATOM 0 HA GLU A 76 7.136 -11.269 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.797 -12.471 4.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.490 -12.917 4.771 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.982 -11.466 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.313 -10.936 6.753 1.00 0.00 H new TER 908 GLU A 76 ATOM 909 N SER B 101 3.316 19.147 4.886 1.00 0.00 N ATOM 910 CA SER B 101 2.743 18.522 3.678 1.00 0.00 C ATOM 911 C SER B 101 2.910 17.006 3.733 1.00 0.00 C ATOM 912 O SER B 101 3.206 16.359 2.727 1.00 0.00 O ATOM 913 CB SER B 101 3.428 19.091 2.437 1.00 0.00 C ATOM 914 OG SER B 101 3.378 20.510 2.438 1.00 0.00 O ATOM 0 HA SER B 101 1.677 18.744 3.631 1.00 0.00 H new ATOM 0 HB2 SER B 101 4.466 18.759 2.405 1.00 0.00 H new ATOM 0 HB3 SER B 101 2.943 18.706 1.540 1.00 0.00 H new ATOM 0 HG SER B 101 3.452 20.839 3.358 1.00 0.00 H new ATOM 922 N GLN B 102 2.703 16.442 4.916 1.00 0.00 N ATOM 923 CA GLN B 102 2.924 15.022 5.144 1.00 0.00 C ATOM 924 C GLN B 102 1.704 14.208 4.729 1.00 0.00 C ATOM 925 O GLN B 102 1.820 13.236 3.985 1.00 0.00 O ATOM 926 CB GLN B 102 3.245 14.784 6.621 1.00 0.00 C ATOM 927 CG GLN B 102 3.492 13.329 6.979 1.00 0.00 C ATOM 928 CD GLN B 102 3.795 13.148 8.450 1.00 0.00 C ATOM 929 OE1 GLN B 102 4.369 14.029 9.095 1.00 0.00 O ATOM 930 NE2 GLN B 102 3.409 12.008 8.995 1.00 0.00 N ATOM 0 H GLN B 102 2.380 16.952 5.738 1.00 0.00 H new ATOM 0 HA GLN B 102 3.767 14.697 4.535 1.00 0.00 H new ATOM 0 HB2 GLN B 102 4.127 15.367 6.888 1.00 0.00 H new ATOM 0 HB3 GLN B 102 2.420 15.160 7.226 1.00 0.00 H new ATOM 0 HG2 GLN B 102 2.616 12.737 6.714 1.00 0.00 H new ATOM 0 HG3 GLN B 102 4.325 12.947 6.388 1.00 0.00 H new ATOM 0 HE21 GLN B 102 2.937 11.305 8.426 1.00 0.00 H new ATOM 0 HE22 GLN B 102 3.583 11.831 9.984 1.00 0.00 H new ATOM 939 N GLU B 103 0.535 14.620 5.194 1.00 0.00 N ATOM 940 CA GLU B 103 -0.694 13.898 4.898 1.00 0.00 C ATOM 941 C GLU B 103 -1.130 14.136 3.458 1.00 0.00 C ATOM 942 O GLU B 103 -1.727 13.262 2.829 1.00 0.00 O ATOM 943 CB GLU B 103 -1.791 14.300 5.877 1.00 0.00 C ATOM 944 CG GLU B 103 -1.496 13.862 7.303 1.00 0.00 C ATOM 945 CD GLU B 103 -2.536 14.334 8.295 1.00 0.00 C ATOM 946 OE1 GLU B 103 -2.192 15.123 9.194 1.00 0.00 O ATOM 947 OE2 GLU B 103 -3.711 13.930 8.163 1.00 0.00 O ATOM 0 H GLU B 103 0.411 15.448 5.776 1.00 0.00 H new ATOM 0 HA GLU B 103 -0.506 12.831 5.014 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.915 15.383 5.852 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -2.737 13.863 5.556 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -1.436 12.774 7.338 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -0.519 14.244 7.600 1.00 0.00 H new ATOM 954 N LYS B 104 -0.818 15.319 2.936 1.00 0.00 N ATOM 955 CA LYS B 104 -1.024 15.617 1.520 1.00 0.00 C ATOM 956 C LYS B 104 -0.308 14.584 0.656 1.00 0.00 C ATOM 957 O LYS B 104 -0.815 14.161 -0.379 1.00 0.00 O ATOM 958 CB LYS B 104 -0.504 17.026 1.197 1.00 0.00 C ATOM 959 CG LYS B 104 -0.489 17.367 -0.291 1.00 0.00 C ATOM 960 CD LYS B 104 0.132 18.737 -0.534 1.00 0.00 C ATOM 961 CE LYS B 104 0.314 19.038 -2.018 1.00 0.00 C ATOM 962 NZ LYS B 104 -0.975 19.040 -2.763 1.00 0.00 N ATOM 0 H LYS B 104 -0.420 16.089 3.473 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.092 15.576 1.304 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -1.122 17.757 1.719 1.00 0.00 H new ATOM 0 HB3 LYS B 104 0.508 17.126 1.590 1.00 0.00 H new ATOM 0 HG2 LYS B 104 0.073 16.608 -0.835 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -1.507 17.351 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -0.499 19.504 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS B 104 1.099 18.788 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS B 104 0.797 20.009 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS B 104 0.982 18.296 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -0.946 18.315 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -1.755 18.832 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -1.125 19.974 -3.194 1.00 0.00 H new ATOM 976 N PHE B 105 0.859 14.162 1.121 1.00 0.00 N ATOM 977 CA PHE B 105 1.697 13.223 0.393 1.00 0.00 C ATOM 978 C PHE B 105 1.056 11.835 0.368 1.00 0.00 C ATOM 979 O PHE B 105 1.044 11.169 -0.662 1.00 0.00 O ATOM 980 CB PHE B 105 3.076 13.170 1.055 1.00 0.00 C ATOM 981 CG PHE B 105 4.154 12.546 0.214 1.00 0.00 C ATOM 982 CD1 PHE B 105 4.823 13.297 -0.738 1.00 0.00 C ATOM 983 CD2 PHE B 105 4.510 11.220 0.387 1.00 0.00 C ATOM 984 CE1 PHE B 105 5.825 12.735 -1.504 1.00 0.00 C ATOM 985 CE2 PHE B 105 5.510 10.652 -0.379 1.00 0.00 C ATOM 986 CZ PHE B 105 6.168 11.411 -1.324 1.00 0.00 C ATOM 0 H PHE B 105 1.251 14.462 2.014 1.00 0.00 H new ATOM 0 HA PHE B 105 1.804 13.557 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE B 105 3.378 14.185 1.314 1.00 0.00 H new ATOM 0 HB3 PHE B 105 2.994 12.613 1.988 1.00 0.00 H new ATOM 0 HD1 PHE B 105 4.558 14.334 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE B 105 4.001 10.623 1.129 1.00 0.00 H new ATOM 0 HE1 PHE B 105 6.340 13.331 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE B 105 5.776 9.615 -0.238 1.00 0.00 H new ATOM 0 HZ PHE B 105 6.951 10.969 -1.922 1.00 0.00 H new ATOM 996 N PHE B 106 0.506 11.414 1.502 1.00 0.00 N ATOM 997 CA PHE B 106 -0.110 10.094 1.609 1.00 0.00 C ATOM 998 C PHE B 106 -1.480 10.046 0.933 1.00 0.00 C ATOM 999 O PHE B 106 -1.843 9.046 0.314 1.00 0.00 O ATOM 1000 CB PHE B 106 -0.260 9.679 3.077 1.00 0.00 C ATOM 1001 CG PHE B 106 1.002 9.173 3.724 1.00 0.00 C ATOM 1002 CD1 PHE B 106 1.602 9.880 4.755 1.00 0.00 C ATOM 1003 CD2 PHE B 106 1.608 8.010 3.276 1.00 0.00 C ATOM 1004 CE1 PHE B 106 2.778 9.435 5.328 1.00 0.00 C ATOM 1005 CE2 PHE B 106 2.783 7.558 3.850 1.00 0.00 C ATOM 1006 CZ PHE B 106 3.298 8.206 4.961 1.00 0.00 C ATOM 0 H PHE B 106 0.474 11.966 2.359 1.00 0.00 H new ATOM 0 HA PHE B 106 0.553 9.397 1.097 1.00 0.00 H new ATOM 0 HB2 PHE B 106 -0.625 10.534 3.646 1.00 0.00 H new ATOM 0 HB3 PHE B 106 -1.022 8.903 3.144 1.00 0.00 H new ATOM 0 HD1 PHE B 106 1.144 10.790 5.115 1.00 0.00 H new ATOM 0 HD2 PHE B 106 1.158 7.450 2.470 1.00 0.00 H new ATOM 0 HE1 PHE B 106 3.289 10.044 6.059 1.00 0.00 H new ATOM 0 HE2 PHE B 106 3.296 6.704 3.434 1.00 0.00 H new ATOM 0 HZ PHE B 106 4.096 7.757 5.534 1.00 0.00 H new ATOM 1016 N GLN B 107 -2.244 11.120 1.061 1.00 0.00 N ATOM 1017 CA GLN B 107 -3.624 11.124 0.589 1.00 0.00 C ATOM 1018 C GLN B 107 -3.700 11.476 -0.894 1.00 0.00 C ATOM 1019 O GLN B 107 -4.159 10.670 -1.703 1.00 0.00 O ATOM 1020 CB GLN B 107 -4.453 12.108 1.424 1.00 0.00 C ATOM 1021 CG GLN B 107 -5.951 11.811 1.472 1.00 0.00 C ATOM 1022 CD GLN B 107 -6.685 12.155 0.187 1.00 0.00 C ATOM 1023 OE1 GLN B 107 -7.128 13.285 -0.001 1.00 0.00 O ATOM 1024 NE2 GLN B 107 -6.851 11.177 -0.689 1.00 0.00 N ATOM 0 H GLN B 107 -1.937 11.996 1.485 1.00 0.00 H new ATOM 0 HA GLN B 107 -4.034 10.121 0.709 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -4.066 12.113 2.443 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -4.309 13.112 1.024 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -6.095 10.753 1.690 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -6.397 12.370 2.295 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -6.468 10.251 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -7.361 11.349 -1.555 1.00 0.00 H new ATOM 1033 N GLU B 108 -3.220 12.664 -1.248 1.00 0.00 N ATOM 1034 CA GLU B 108 -3.398 13.199 -2.596 1.00 0.00 C ATOM 1035 C GLU B 108 -2.752 12.315 -3.657 1.00 0.00 C ATOM 1036 O GLU B 108 -3.395 11.956 -4.642 1.00 0.00 O ATOM 1037 CB GLU B 108 -2.828 14.612 -2.687 1.00 0.00 C ATOM 1038 CG GLU B 108 -2.962 15.236 -4.065 1.00 0.00 C ATOM 1039 CD GLU B 108 -2.362 16.619 -4.129 1.00 0.00 C ATOM 1040 OE1 GLU B 108 -3.115 17.603 -3.992 1.00 0.00 O ATOM 1041 OE2 GLU B 108 -1.129 16.730 -4.298 1.00 0.00 O ATOM 0 H GLU B 108 -2.703 13.277 -0.618 1.00 0.00 H new ATOM 0 HA GLU B 108 -4.470 13.223 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU B 108 -3.335 15.246 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU B 108 -1.774 14.588 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU B 108 -2.474 14.596 -4.800 1.00 0.00 H new ATOM 0 HG3 GLU B 108 -4.016 15.287 -4.337 1.00 0.00 H new ATOM 1048 N LEU B 109 -1.489 11.952 -3.446 1.00 0.00 N ATOM 1049 CA LEU B 109 -0.752 11.161 -4.428 1.00 0.00 C ATOM 1050 C LEU B 109 -1.447 9.837 -4.710 1.00 0.00 C ATOM 1051 O LEU B 109 -1.428 9.345 -5.836 1.00 0.00 O ATOM 1052 CB LEU B 109 0.682 10.896 -3.960 1.00 0.00 C ATOM 1053 CG LEU B 109 1.545 12.143 -3.761 1.00 0.00 C ATOM 1054 CD1 LEU B 109 2.962 11.747 -3.389 1.00 0.00 C ATOM 1055 CD2 LEU B 109 1.545 13.007 -5.014 1.00 0.00 C ATOM 0 H LEU B 109 -0.957 12.191 -2.609 1.00 0.00 H new ATOM 0 HA LEU B 109 -0.723 11.744 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU B 109 0.644 10.347 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU B 109 1.171 10.248 -4.688 1.00 0.00 H new ATOM 0 HG LEU B 109 1.120 12.728 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU B 109 3.566 12.644 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU B 109 2.948 11.172 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU B 109 3.391 11.140 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU B 109 2.165 13.888 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU B 109 1.944 12.434 -5.851 1.00 0.00 H new ATOM 0 HD23 LEU B 109 0.525 13.319 -5.241 1.00 0.00 H new ATOM 1067 N PHE B 110 -2.079 9.276 -3.697 1.00 0.00 N ATOM 1068 CA PHE B 110 -2.683 7.963 -3.826 1.00 0.00 C ATOM 1069 C PHE B 110 -4.144 8.067 -4.253 1.00 0.00 C ATOM 1070 O PHE B 110 -4.795 7.058 -4.514 1.00 0.00 O ATOM 1071 CB PHE B 110 -2.574 7.196 -2.509 1.00 0.00 C ATOM 1072 CG PHE B 110 -2.542 5.707 -2.693 1.00 0.00 C ATOM 1073 CD1 PHE B 110 -3.710 4.965 -2.736 1.00 0.00 C ATOM 1074 CD2 PHE B 110 -1.335 5.051 -2.834 1.00 0.00 C ATOM 1075 CE1 PHE B 110 -3.670 3.598 -2.918 1.00 0.00 C ATOM 1076 CE2 PHE B 110 -1.289 3.685 -3.013 1.00 0.00 C ATOM 1077 CZ PHE B 110 -2.458 2.958 -3.055 1.00 0.00 C ATOM 0 H PHE B 110 -2.188 9.707 -2.779 1.00 0.00 H new ATOM 0 HA PHE B 110 -2.141 7.420 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE B 110 -1.671 7.511 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE B 110 -3.419 7.459 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE B 110 -4.663 5.462 -2.626 1.00 0.00 H new ATOM 0 HD2 PHE B 110 -0.415 5.616 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE B 110 -4.588 3.030 -2.953 1.00 0.00 H new ATOM 0 HE2 PHE B 110 -0.337 3.185 -3.120 1.00 0.00 H new ATOM 0 HZ PHE B 110 -2.424 1.888 -3.195 1.00 0.00 H new ATOM 1087 N ASP B 111 -4.665 9.285 -4.319 1.00 0.00 N ATOM 1088 CA ASP B 111 -6.064 9.473 -4.685 1.00 0.00 C ATOM 1089 C ASP B 111 -6.271 9.231 -6.174 1.00 0.00 C ATOM 1090 O ASP B 111 -7.377 8.914 -6.618 1.00 0.00 O ATOM 1091 CB ASP B 111 -6.552 10.872 -4.309 1.00 0.00 C ATOM 1092 CG ASP B 111 -8.044 11.016 -4.512 1.00 0.00 C ATOM 1093 OD1 ASP B 111 -8.449 11.798 -5.392 1.00 0.00 O ATOM 1094 OD2 ASP B 111 -8.820 10.350 -3.794 1.00 0.00 O ATOM 0 H ASP B 111 -4.151 10.145 -4.128 1.00 0.00 H new ATOM 0 HA ASP B 111 -6.650 8.744 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP B 111 -6.305 11.076 -3.267 1.00 0.00 H new ATOM 0 HB3 ASP B 111 -6.029 11.614 -4.912 1.00 0.00 H new ATOM 1099 N SER B 112 -5.205 9.384 -6.943 1.00 0.00 N ATOM 1100 CA SER B 112 -5.239 9.105 -8.368 1.00 0.00 C ATOM 1101 C SER B 112 -3.858 8.673 -8.841 1.00 0.00 C ATOM 1102 O SER B 112 -3.090 9.529 -9.329 1.00 0.00 O ATOM 1103 CB SER B 112 -5.721 10.336 -9.149 1.00 0.00 C ATOM 1104 OG SER B 112 -7.024 10.726 -8.734 1.00 0.00 O ATOM 1105 OXT SER B 112 -3.530 7.480 -8.694 1.00 0.00 O ATOM 0 H SER B 112 -4.299 9.703 -6.600 1.00 0.00 H new ATOM 0 HA SER B 112 -5.943 8.294 -8.553 1.00 0.00 H new ATOM 0 HB2 SER B 112 -5.025 11.162 -8.998 1.00 0.00 H new ATOM 0 HB3 SER B 112 -5.727 10.114 -10.216 1.00 0.00 H new ATOM 0 HG SER B 112 -7.364 10.083 -8.078 1.00 0.00 H new TER 1111 SER B 112