USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1012 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 59 MET CE :methyl -122:sc= -1.38 (180deg=-5.69!) USER MOD Set 1.2: A 88 MET CE :methyl 163:sc= -4.63 (180deg=-6.13!) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -0.597 K(o=-3,f=-4.6) USER MOD Set 2.2: A 87 HIS :FLIP no HD1:sc= -2.45! C(o=-3.9!,f=-3!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.0956 USER MOD Set 3.2: A 3 HIS : no HD1:sc= -0.56 K(o=-0.46,f=-1) USER MOD Single : A 4 SER OG : rot 180:sc= 0.179 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.0652 (180deg=-0.439) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.0781 F(o=-0.77,f=-0.078) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 47:sc= -0.187 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -1.97 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.235 USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -1.31! (180deg=-2.72!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 51 THR OG1 : rot 100:sc= -0.6 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 172:sc= -1.27 (180deg=-1.52) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 0.108 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.0286 (180deg=-0.548) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.323 (180deg=-0.77) USER MOD Single : A 75 ASN : amide:sc= -0.084 X(o=-0.084,f=-0.085) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.017) USER MOD Single : A 90 SER OG : rot 180:sc= -0.951 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0.097) USER MOD Single : A 93 ASN : amide:sc= -0.335 K(o=-0.34,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 97 MET CE :methyl -174:sc= -0.0159 (180deg=-0.0974) USER MOD Single : A 99 ASN : amide:sc=-0.00979 K(o=-0.0098,f=-0.85) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -148:sc= -2.15 (180deg=-4.61!) USER MOD Single : A 103 THR OG1 : rot 99:sc= 0.252 USER MOD Single : A 105 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.23) USER MOD Single : A 106 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.4) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 40:sc= -2.57 USER MOD Single : A 112 LYS NZ :NH3+ 175:sc= -0.966 (180deg=-0.996) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.482 10.856 7.508 1.00 0.00 N ATOM 2 CA PRO A 1 -12.484 11.249 6.073 1.00 0.00 C ATOM 3 C PRO A 1 -11.075 11.511 5.551 1.00 0.00 C ATOM 4 O PRO A 1 -10.674 10.986 4.512 1.00 0.00 O ATOM 5 CB PRO A 1 -13.343 12.503 5.939 1.00 0.00 C ATOM 6 CG PRO A 1 -13.618 12.910 7.346 1.00 0.00 C ATOM 7 CD PRO A 1 -13.525 11.654 8.177 1.00 0.00 C ATOM 0 H2 PRO A 1 -11.569 11.031 7.928 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.671 9.859 7.609 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.889 10.433 5.475 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.820 13.288 5.393 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.266 12.298 5.396 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.896 13.654 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -14.606 13.362 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -13.255 11.878 9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -14.477 11.123 8.205 1.00 0.00 H new ATOM 17 N SER A 2 -10.339 12.324 6.285 1.00 0.00 N ATOM 18 CA SER A 2 -8.971 12.669 5.914 1.00 0.00 C ATOM 19 C SER A 2 -8.062 11.446 5.986 1.00 0.00 C ATOM 20 O SER A 2 -7.351 11.131 5.033 1.00 0.00 O ATOM 21 CB SER A 2 -8.435 13.772 6.831 1.00 0.00 C ATOM 22 OG SER A 2 -9.102 13.765 8.081 1.00 0.00 O ATOM 0 H SER A 2 -10.664 12.762 7.147 1.00 0.00 H new ATOM 0 HA SER A 2 -8.980 13.032 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.365 13.633 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.564 14.742 6.352 1.00 0.00 H new ATOM 0 HG SER A 2 -8.740 14.477 8.649 1.00 0.00 H new ATOM 28 N HIS A 3 -8.091 10.759 7.124 1.00 0.00 N ATOM 29 CA HIS A 3 -7.271 9.569 7.321 1.00 0.00 C ATOM 30 C HIS A 3 -8.133 8.310 7.338 1.00 0.00 C ATOM 31 O HIS A 3 -7.932 7.420 8.164 1.00 0.00 O ATOM 32 CB HIS A 3 -6.472 9.684 8.623 1.00 0.00 C ATOM 33 CG HIS A 3 -7.319 9.631 9.857 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.171 10.649 10.232 1.00 0.00 N ATOM 35 CD2 HIS A 3 -7.442 8.673 10.807 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.779 10.320 11.358 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.355 9.126 11.726 1.00 0.00 N ATOM 0 H HIS A 3 -8.674 11.006 7.924 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.574 9.493 6.486 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.739 8.878 8.661 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.915 10.621 8.615 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.919 7.729 10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.500 10.925 11.887 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.657 8.621 12.559 1.00 0.00 H new ATOM 46 N SER A 4 -9.093 8.244 6.421 1.00 0.00 N ATOM 47 CA SER A 4 -9.985 7.094 6.330 1.00 0.00 C ATOM 48 C SER A 4 -10.967 7.253 5.171 1.00 0.00 C ATOM 49 O SER A 4 -11.641 8.277 5.054 1.00 0.00 O ATOM 50 CB SER A 4 -10.755 6.915 7.641 1.00 0.00 C ATOM 51 OG SER A 4 -11.475 8.089 7.975 1.00 0.00 O ATOM 0 H SER A 4 -9.273 8.973 5.731 1.00 0.00 H new ATOM 0 HA SER A 4 -9.376 6.209 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.444 6.076 7.550 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.060 6.670 8.444 1.00 0.00 H new ATOM 0 HG SER A 4 -11.959 7.948 8.815 1.00 0.00 H new ATOM 57 N GLY A 5 -11.050 6.233 4.323 1.00 0.00 N ATOM 58 CA GLY A 5 -11.956 6.277 3.193 1.00 0.00 C ATOM 59 C GLY A 5 -12.460 4.899 2.825 1.00 0.00 C ATOM 60 O GLY A 5 -11.867 3.897 3.216 1.00 0.00 O ATOM 0 H GLY A 5 -10.504 5.375 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.802 6.922 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.448 6.719 2.336 1.00 0.00 H new ATOM 64 N ALA A 6 -13.551 4.840 2.075 1.00 0.00 N ATOM 65 CA ALA A 6 -14.117 3.562 1.670 1.00 0.00 C ATOM 66 C ALA A 6 -13.232 2.885 0.632 1.00 0.00 C ATOM 67 O ALA A 6 -13.155 3.321 -0.516 1.00 0.00 O ATOM 68 CB ALA A 6 -15.527 3.752 1.136 1.00 0.00 C ATOM 0 H ALA A 6 -14.059 5.657 1.736 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.166 2.914 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.936 2.787 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.155 4.187 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.503 4.418 0.274 1.00 0.00 H new ATOM 74 N ALA A 7 -12.554 1.819 1.051 1.00 0.00 N ATOM 75 CA ALA A 7 -11.659 1.084 0.163 1.00 0.00 C ATOM 76 C ALA A 7 -12.203 -0.309 -0.144 1.00 0.00 C ATOM 77 O ALA A 7 -13.118 -0.792 0.523 1.00 0.00 O ATOM 78 CB ALA A 7 -10.268 0.992 0.777 1.00 0.00 C ATOM 0 H ALA A 7 -12.608 1.446 1.999 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.593 1.629 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.609 0.441 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.872 1.995 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.326 0.473 1.734 1.00 0.00 H new ATOM 84 N ILE A 8 -11.636 -0.944 -1.166 1.00 0.00 N ATOM 85 CA ILE A 8 -12.062 -2.279 -1.575 1.00 0.00 C ATOM 86 C ILE A 8 -10.914 -3.279 -1.473 1.00 0.00 C ATOM 87 O ILE A 8 -9.768 -2.958 -1.786 1.00 0.00 O ATOM 88 CB ILE A 8 -12.603 -2.262 -3.017 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.699 -1.193 -3.141 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.120 -3.641 -3.417 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.830 -1.565 -4.073 1.00 0.00 C ATOM 0 H ILE A 8 -10.879 -0.554 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.858 -2.589 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.794 -2.010 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.110 -0.995 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.247 -0.265 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.497 -3.606 -4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.308 -4.366 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.924 -3.938 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.559 -0.755 -4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.435 -1.734 -5.075 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.312 -2.475 -3.715 1.00 0.00 H new ATOM 103 N PHE A 9 -11.229 -4.496 -1.036 1.00 0.00 N ATOM 104 CA PHE A 9 -10.224 -5.544 -0.895 1.00 0.00 C ATOM 105 C PHE A 9 -10.793 -6.902 -1.298 1.00 0.00 C ATOM 106 O PHE A 9 -11.725 -7.403 -0.672 1.00 0.00 O ATOM 107 CB PHE A 9 -9.714 -5.601 0.547 1.00 0.00 C ATOM 108 CG PHE A 9 -8.269 -6.000 0.666 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.714 -6.926 -0.205 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.464 -5.448 1.650 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.387 -7.294 -0.095 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.137 -5.812 1.765 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.597 -6.736 0.892 1.00 0.00 C ATOM 0 H PHE A 9 -12.173 -4.780 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.393 -5.306 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.850 -4.623 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.324 -6.308 1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.327 -7.365 -0.979 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.880 -4.724 2.335 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.968 -8.017 -0.779 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.522 -5.374 2.537 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.559 -7.022 0.981 1.00 0.00 H new ATOM 123 N GLU A 10 -10.222 -7.493 -2.342 1.00 0.00 N ATOM 124 CA GLU A 10 -10.664 -8.795 -2.831 1.00 0.00 C ATOM 125 C GLU A 10 -12.015 -8.689 -3.534 1.00 0.00 C ATOM 126 O GLU A 10 -12.843 -9.594 -3.446 1.00 0.00 O ATOM 127 CB GLU A 10 -10.748 -9.799 -1.681 1.00 0.00 C ATOM 128 CG GLU A 10 -9.507 -9.830 -0.807 1.00 0.00 C ATOM 129 CD GLU A 10 -8.236 -10.055 -1.604 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.861 -9.160 -2.389 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.618 -11.128 -1.444 1.00 0.00 O ATOM 0 H GLU A 10 -9.448 -7.089 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.929 -9.147 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.612 -9.558 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.918 -10.795 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.428 -8.889 -0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.610 -10.621 -0.064 1.00 0.00 H new ATOM 138 N LYS A 11 -12.223 -7.578 -4.240 1.00 0.00 N ATOM 139 CA LYS A 11 -13.465 -7.341 -4.979 1.00 0.00 C ATOM 140 C LYS A 11 -14.612 -6.917 -4.060 1.00 0.00 C ATOM 141 O LYS A 11 -15.718 -6.650 -4.531 1.00 0.00 O ATOM 142 CB LYS A 11 -13.870 -8.588 -5.773 1.00 0.00 C ATOM 143 CG LYS A 11 -12.723 -9.219 -6.546 1.00 0.00 C ATOM 144 CD LYS A 11 -12.973 -10.695 -6.810 1.00 0.00 C ATOM 145 CE LYS A 11 -12.170 -11.574 -5.864 1.00 0.00 C ATOM 146 NZ LYS A 11 -10.705 -11.438 -6.088 1.00 0.00 N ATOM 0 H LYS A 11 -11.542 -6.822 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.270 -6.520 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.284 -9.327 -5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.664 -8.322 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.591 -8.696 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.796 -9.101 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.035 -10.911 -6.696 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.708 -10.931 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.406 -11.308 -4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.463 -12.615 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.227 -12.315 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.523 -11.262 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.340 -10.642 -5.526 1.00 0.00 H new ATOM 160 N VAL A 12 -14.355 -6.845 -2.756 1.00 0.00 N ATOM 161 CA VAL A 12 -15.384 -6.442 -1.807 1.00 0.00 C ATOM 162 C VAL A 12 -15.119 -5.034 -1.290 1.00 0.00 C ATOM 163 O VAL A 12 -13.981 -4.680 -0.978 1.00 0.00 O ATOM 164 CB VAL A 12 -15.480 -7.424 -0.620 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.267 -7.314 0.294 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.765 -7.189 0.161 1.00 0.00 C ATOM 0 H VAL A 12 -13.450 -7.059 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.336 -6.455 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.497 -8.436 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.368 -8.019 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.364 -7.543 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.200 -6.300 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.817 -7.889 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.777 -6.168 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.622 -7.341 -0.495 1.00 0.00 H new ATOM 176 N SER A 13 -16.168 -4.229 -1.207 1.00 0.00 N ATOM 177 CA SER A 13 -16.026 -2.863 -0.732 1.00 0.00 C ATOM 178 C SER A 13 -16.056 -2.811 0.788 1.00 0.00 C ATOM 179 O SER A 13 -16.726 -3.616 1.436 1.00 0.00 O ATOM 180 CB SER A 13 -17.131 -1.975 -1.303 1.00 0.00 C ATOM 181 OG SER A 13 -18.397 -2.604 -1.202 1.00 0.00 O ATOM 0 H SER A 13 -17.119 -4.496 -1.460 1.00 0.00 H new ATOM 0 HA SER A 13 -15.061 -2.490 -1.075 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.150 -1.025 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.916 -1.749 -2.348 1.00 0.00 H new ATOM 0 HG SER A 13 -19.086 -2.014 -1.573 1.00 0.00 H new ATOM 187 N GLY A 14 -15.326 -1.858 1.350 1.00 0.00 N ATOM 188 CA GLY A 14 -15.278 -1.713 2.789 1.00 0.00 C ATOM 189 C GLY A 14 -14.896 -0.312 3.209 1.00 0.00 C ATOM 190 O GLY A 14 -15.161 0.653 2.491 1.00 0.00 O ATOM 0 H GLY A 14 -14.765 -1.181 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.251 -1.964 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.560 -2.422 3.200 1.00 0.00 H new ATOM 194 N ILE A 15 -14.268 -0.197 4.371 1.00 0.00 N ATOM 195 CA ILE A 15 -13.846 1.098 4.878 1.00 0.00 C ATOM 196 C ILE A 15 -12.397 1.062 5.319 1.00 0.00 C ATOM 197 O ILE A 15 -12.028 0.306 6.213 1.00 0.00 O ATOM 198 CB ILE A 15 -14.703 1.552 6.075 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.167 1.156 5.868 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.564 3.054 6.286 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.856 1.904 4.748 1.00 0.00 C ATOM 0 H ILE A 15 -14.041 -0.984 4.978 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.971 1.805 4.058 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.344 1.050 6.973 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.217 0.087 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.713 1.328 6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.175 3.360 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.520 3.299 6.483 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.897 3.580 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.889 1.566 4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.840 2.973 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.336 1.713 3.809 1.00 0.00 H new ATOM 213 N ILE A 16 -11.583 1.901 4.706 1.00 0.00 N ATOM 214 CA ILE A 16 -10.178 1.981 5.050 1.00 0.00 C ATOM 215 C ILE A 16 -9.957 3.150 5.996 1.00 0.00 C ATOM 216 O ILE A 16 -10.286 4.289 5.675 1.00 0.00 O ATOM 217 CB ILE A 16 -9.299 2.112 3.780 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.614 0.777 3.486 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.258 3.215 3.907 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.688 0.817 2.288 1.00 0.00 C ATOM 0 H ILE A 16 -11.873 2.539 3.965 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.881 1.060 5.551 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.956 2.383 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.045 0.470 4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.377 0.017 3.319 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.668 3.266 2.992 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.758 4.170 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.601 3.000 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.239 -0.166 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.255 1.093 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.902 1.553 2.460 1.00 0.00 H new ATOM 232 N ALA A 17 -9.427 2.860 7.169 1.00 0.00 N ATOM 233 CA ALA A 17 -9.197 3.895 8.163 1.00 0.00 C ATOM 234 C ALA A 17 -7.869 3.691 8.884 1.00 0.00 C ATOM 235 O ALA A 17 -7.559 2.592 9.345 1.00 0.00 O ATOM 236 CB ALA A 17 -10.357 3.928 9.147 1.00 0.00 C ATOM 0 H ALA A 17 -9.148 1.922 7.457 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.139 4.857 7.654 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.181 4.705 9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.282 4.141 8.612 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.440 2.962 9.644 1.00 0.00 H new ATOM 242 N ILE A 18 -7.086 4.761 8.965 1.00 0.00 N ATOM 243 CA ILE A 18 -5.781 4.716 9.615 1.00 0.00 C ATOM 244 C ILE A 18 -5.910 4.794 11.134 1.00 0.00 C ATOM 245 O ILE A 18 -6.565 5.688 11.670 1.00 0.00 O ATOM 246 CB ILE A 18 -4.879 5.865 9.119 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.658 5.751 7.609 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.545 5.863 9.852 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.652 6.545 6.790 1.00 0.00 C ATOM 0 H ILE A 18 -7.334 5.675 8.586 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.325 3.761 9.352 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.381 6.809 9.330 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.650 6.091 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.717 4.702 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.927 6.682 9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.717 5.989 10.921 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.035 4.916 9.676 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.434 6.417 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.661 6.190 6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.577 7.601 7.051 1.00 0.00 H new ATOM 261 N ASN A 19 -5.269 3.853 11.821 1.00 0.00 N ATOM 262 CA ASN A 19 -5.295 3.810 13.278 1.00 0.00 C ATOM 263 C ASN A 19 -4.122 4.588 13.861 1.00 0.00 C ATOM 264 O ASN A 19 -3.032 4.044 14.041 1.00 0.00 O ATOM 265 CB ASN A 19 -5.258 2.362 13.768 1.00 0.00 C ATOM 266 CG ASN A 19 -6.101 2.149 15.009 1.00 0.00 C ATOM 267 OD1 ASN A 19 -5.575 2.555 16.160 1.00 0.00 O flip ATOM 268 ND2 ASN A 19 -7.214 1.628 14.936 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.723 3.107 11.389 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.221 4.274 13.616 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.612 1.704 12.975 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.227 2.080 13.980 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.580 1.331 14.031 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.771 1.494 15.780 1.00 0.00 H new ATOM 275 N GLU A 20 -4.353 5.863 14.156 1.00 0.00 N ATOM 276 CA GLU A 20 -3.314 6.716 14.721 1.00 0.00 C ATOM 277 C GLU A 20 -3.416 6.764 16.242 1.00 0.00 C ATOM 278 O GLU A 20 -2.976 7.724 16.874 1.00 0.00 O ATOM 279 CB GLU A 20 -3.416 8.130 14.147 1.00 0.00 C ATOM 280 CG GLU A 20 -3.043 8.216 12.675 1.00 0.00 C ATOM 281 CD GLU A 20 -2.358 9.521 12.323 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.995 10.586 12.471 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.184 9.480 11.898 1.00 0.00 O ATOM 0 H GLU A 20 -5.250 6.328 14.013 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.346 6.292 14.453 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.435 8.494 14.277 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.766 8.793 14.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.385 7.385 12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.942 8.107 12.069 1.00 0.00 H new ATOM 290 N ASP A 21 -3.992 5.717 16.825 1.00 0.00 N ATOM 291 CA ASP A 21 -4.144 5.636 18.271 1.00 0.00 C ATOM 292 C ASP A 21 -3.124 4.672 18.874 1.00 0.00 C ATOM 293 O ASP A 21 -3.000 4.573 20.095 1.00 0.00 O ATOM 294 CB ASP A 21 -5.562 5.186 18.630 1.00 0.00 C ATOM 295 CG ASP A 21 -6.551 6.334 18.625 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.723 6.974 19.684 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.155 6.594 17.563 1.00 0.00 O ATOM 0 H ASP A 21 -4.361 4.913 16.317 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.968 6.628 18.686 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.889 4.425 17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.554 4.721 19.616 1.00 0.00 H new ATOM 302 N VAL A 22 -2.393 3.964 18.014 1.00 0.00 N ATOM 303 CA VAL A 22 -1.386 3.014 18.474 1.00 0.00 C ATOM 304 C VAL A 22 0.018 3.576 18.284 1.00 0.00 C ATOM 305 O VAL A 22 0.184 4.716 17.850 1.00 0.00 O ATOM 306 CB VAL A 22 -1.498 1.672 17.726 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.891 1.084 17.887 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.152 1.847 16.253 1.00 0.00 C ATOM 0 H VAL A 22 -2.480 4.031 17.000 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.567 2.843 19.535 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.782 0.976 18.162 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.950 0.136 17.352 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.095 0.917 18.945 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.628 1.777 17.480 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.237 0.888 15.743 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.840 2.561 15.800 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.131 2.218 16.161 1.00 0.00 H new ATOM 318 N SER A 23 1.031 2.772 18.597 1.00 0.00 N ATOM 319 CA SER A 23 2.411 3.208 18.436 1.00 0.00 C ATOM 320 C SER A 23 2.703 3.437 16.956 1.00 0.00 C ATOM 321 O SER A 23 2.890 4.575 16.527 1.00 0.00 O ATOM 322 CB SER A 23 3.382 2.190 19.038 1.00 0.00 C ATOM 323 OG SER A 23 3.927 2.663 20.257 1.00 0.00 O ATOM 0 H SER A 23 0.922 1.825 18.960 1.00 0.00 H new ATOM 0 HA SER A 23 2.551 4.146 18.973 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.864 1.246 19.210 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.186 1.988 18.331 1.00 0.00 H new ATOM 0 HG SER A 23 4.543 1.993 20.622 1.00 0.00 H new ATOM 329 N PRO A 24 2.717 2.365 16.138 1.00 0.00 N ATOM 330 CA PRO A 24 2.950 2.479 14.709 1.00 0.00 C ATOM 331 C PRO A 24 1.639 2.655 13.960 1.00 0.00 C ATOM 332 O PRO A 24 0.829 1.732 13.887 1.00 0.00 O ATOM 333 CB PRO A 24 3.571 1.135 14.375 1.00 0.00 C ATOM 334 CG PRO A 24 2.867 0.178 15.279 1.00 0.00 C ATOM 335 CD PRO A 24 2.480 0.957 16.521 1.00 0.00 C ATOM 0 HA PRO A 24 3.569 3.334 14.436 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.423 0.876 13.327 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.646 1.136 14.554 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.985 -0.237 14.792 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.514 -0.661 15.534 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.438 0.786 16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.086 0.668 17.380 1.00 0.00 H new ATOM 343 N ALA A 25 1.424 3.844 13.417 1.00 0.00 N ATOM 344 CA ALA A 25 0.194 4.132 12.689 1.00 0.00 C ATOM 345 C ALA A 25 -0.115 3.033 11.677 1.00 0.00 C ATOM 346 O ALA A 25 0.668 2.773 10.765 1.00 0.00 O ATOM 347 CB ALA A 25 0.287 5.487 12.005 1.00 0.00 C ATOM 0 H ALA A 25 2.081 4.623 13.465 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.626 4.163 13.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.639 5.687 11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.445 6.263 12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.122 5.484 11.304 1.00 0.00 H new ATOM 353 N GLU A 26 -1.260 2.384 11.859 1.00 0.00 N ATOM 354 CA GLU A 26 -1.674 1.301 10.976 1.00 0.00 C ATOM 355 C GLU A 26 -2.876 1.712 10.129 1.00 0.00 C ATOM 356 O GLU A 26 -3.473 2.766 10.342 1.00 0.00 O ATOM 357 CB GLU A 26 -2.025 0.060 11.798 1.00 0.00 C ATOM 358 CG GLU A 26 -1.006 -0.262 12.879 1.00 0.00 C ATOM 359 CD GLU A 26 -1.269 -1.597 13.549 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.915 -2.460 12.919 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.828 -1.779 14.703 1.00 0.00 O ATOM 0 H GLU A 26 -1.918 2.590 12.611 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.843 1.073 10.308 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.001 0.206 12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.115 -0.796 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.008 -0.270 12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.018 0.527 13.631 1.00 0.00 H new ATOM 368 N LEU A 27 -3.226 0.857 9.178 1.00 0.00 N ATOM 369 CA LEU A 27 -4.359 1.092 8.296 1.00 0.00 C ATOM 370 C LEU A 27 -5.354 -0.054 8.449 1.00 0.00 C ATOM 371 O LEU A 27 -5.070 -1.185 8.057 1.00 0.00 O ATOM 372 CB LEU A 27 -3.878 1.193 6.846 1.00 0.00 C ATOM 373 CG LEU A 27 -4.967 1.484 5.809 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.699 2.811 5.113 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.051 0.358 4.788 1.00 0.00 C ATOM 0 H LEU A 27 -2.733 -0.017 8.997 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.847 2.030 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.124 1.978 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.387 0.258 6.579 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.924 1.551 6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.482 3.002 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.689 3.613 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.733 2.769 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.830 0.584 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.094 0.259 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.289 -0.577 5.296 1.00 0.00 H new ATOM 387 N THR A 28 -6.504 0.228 9.049 1.00 0.00 N ATOM 388 CA THR A 28 -7.507 -0.808 9.282 1.00 0.00 C ATOM 389 C THR A 28 -8.674 -0.728 8.304 1.00 0.00 C ATOM 390 O THR A 28 -9.463 0.217 8.333 1.00 0.00 O ATOM 391 CB THR A 28 -8.034 -0.713 10.714 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.995 -0.352 11.607 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.643 -2.004 11.215 1.00 0.00 C ATOM 0 H THR A 28 -6.765 1.156 9.381 1.00 0.00 H new ATOM 0 HA THR A 28 -7.014 -1.767 9.124 1.00 0.00 H new ATOM 0 HB THR A 28 -8.813 0.049 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.352 -0.295 12.518 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.997 -1.867 12.237 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.480 -2.284 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.891 -2.793 11.194 1.00 0.00 H new ATOM 401 N TRP A 29 -8.792 -1.746 7.454 1.00 0.00 N ATOM 402 CA TRP A 29 -9.869 -1.819 6.488 1.00 0.00 C ATOM 403 C TRP A 29 -11.038 -2.616 7.059 1.00 0.00 C ATOM 404 O TRP A 29 -10.949 -3.832 7.225 1.00 0.00 O ATOM 405 CB TRP A 29 -9.387 -2.484 5.200 1.00 0.00 C ATOM 406 CG TRP A 29 -10.504 -2.766 4.245 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.204 -1.847 3.534 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.065 -4.043 3.923 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.163 -2.468 2.767 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.098 -3.820 2.991 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.791 -5.353 4.325 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.856 -4.861 2.458 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.545 -6.383 3.797 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.565 -6.132 2.873 1.00 0.00 C ATOM 0 H TRP A 29 -8.146 -2.534 7.421 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.197 -0.803 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.654 -1.840 4.715 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.879 -3.417 5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.033 -0.781 3.565 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.814 -2.001 2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.004 -5.557 5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.644 -4.672 1.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.344 -7.399 4.103 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.135 -6.960 2.478 1.00 0.00 H new ATOM 425 N ARG A 30 -12.135 -1.931 7.339 1.00 0.00 N ATOM 426 CA ARG A 30 -13.324 -2.581 7.871 1.00 0.00 C ATOM 427 C ARG A 30 -14.425 -2.592 6.819 1.00 0.00 C ATOM 428 O ARG A 30 -14.918 -1.540 6.418 1.00 0.00 O ATOM 429 CB ARG A 30 -13.808 -1.865 9.133 1.00 0.00 C ATOM 430 CG ARG A 30 -12.720 -1.667 10.175 1.00 0.00 C ATOM 431 CD ARG A 30 -13.301 -1.236 11.512 1.00 0.00 C ATOM 432 NE ARG A 30 -14.034 0.023 11.410 1.00 0.00 N ATOM 433 CZ ARG A 30 -13.452 1.220 11.371 1.00 0.00 C ATOM 434 NH1 ARG A 30 -12.130 1.324 11.425 1.00 0.00 N ATOM 435 NH2 ARG A 30 -14.193 2.314 11.277 1.00 0.00 N ATOM 0 H ARG A 30 -12.228 -0.924 7.207 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.072 -3.609 8.133 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.215 -0.893 8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.623 -2.437 9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.163 -2.595 10.302 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.012 -0.915 9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.967 -2.014 11.885 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.496 -1.129 12.239 1.00 0.00 H new ATOM 0 HE ARG A 30 -15.052 -0.017 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.555 0.485 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.689 2.243 11.395 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.209 2.239 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.747 3.231 11.247 1.00 0.00 H new ATOM 449 N SER A 31 -14.801 -3.785 6.364 1.00 0.00 N ATOM 450 CA SER A 31 -15.836 -3.922 5.344 1.00 0.00 C ATOM 451 C SER A 31 -17.052 -3.061 5.671 1.00 0.00 C ATOM 452 O SER A 31 -17.183 -2.552 6.784 1.00 0.00 O ATOM 453 CB SER A 31 -16.258 -5.385 5.203 1.00 0.00 C ATOM 454 OG SER A 31 -15.167 -6.192 4.797 1.00 0.00 O ATOM 0 H SER A 31 -14.405 -4.668 6.685 1.00 0.00 H new ATOM 0 HA SER A 31 -15.417 -3.578 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.649 -5.748 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.065 -5.466 4.475 1.00 0.00 H new ATOM 0 HG SER A 31 -14.379 -5.973 5.338 1.00 0.00 H new ATOM 460 N THR A 32 -17.940 -2.909 4.697 1.00 0.00 N ATOM 461 CA THR A 32 -19.144 -2.121 4.880 1.00 0.00 C ATOM 462 C THR A 32 -20.075 -2.839 5.834 1.00 0.00 C ATOM 463 O THR A 32 -20.720 -2.228 6.687 1.00 0.00 O ATOM 464 CB THR A 32 -19.842 -1.899 3.541 1.00 0.00 C ATOM 465 OG1 THR A 32 -19.082 -2.445 2.477 1.00 0.00 O ATOM 466 CG2 THR A 32 -20.086 -0.440 3.229 1.00 0.00 C ATOM 0 H THR A 32 -17.845 -3.324 3.770 1.00 0.00 H new ATOM 0 HA THR A 32 -18.874 -1.150 5.296 1.00 0.00 H new ATOM 0 HB THR A 32 -20.805 -2.401 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.549 -2.292 1.629 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.585 -0.353 2.264 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.716 -0.003 4.004 1.00 0.00 H new ATOM 0 HG23 THR A 32 -19.134 0.089 3.194 1.00 0.00 H new ATOM 474 N ASP A 33 -20.129 -4.149 5.674 1.00 0.00 N ATOM 475 CA ASP A 33 -20.970 -4.987 6.507 1.00 0.00 C ATOM 476 C ASP A 33 -20.195 -5.525 7.703 1.00 0.00 C ATOM 477 O ASP A 33 -20.730 -5.639 8.805 1.00 0.00 O ATOM 478 CB ASP A 33 -21.551 -6.143 5.692 1.00 0.00 C ATOM 479 CG ASP A 33 -22.841 -6.676 6.283 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.907 -6.083 6.016 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.786 -7.687 7.016 1.00 0.00 O ATOM 0 H ASP A 33 -19.596 -4.658 4.969 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.790 -4.372 6.880 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -21.733 -5.808 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.819 -6.949 5.637 1.00 0.00 H new ATOM 486 N GLY A 34 -18.933 -5.857 7.474 1.00 0.00 N ATOM 487 CA GLY A 34 -18.098 -6.383 8.536 1.00 0.00 C ATOM 488 C GLY A 34 -17.732 -7.837 8.315 1.00 0.00 C ATOM 489 O GLY A 34 -17.296 -8.522 9.239 1.00 0.00 O ATOM 0 H GLY A 34 -18.470 -5.771 6.569 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.187 -5.788 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.619 -6.283 9.488 1.00 0.00 H new ATOM 493 N ASP A 35 -17.909 -8.309 7.084 1.00 0.00 N ATOM 494 CA ASP A 35 -17.595 -9.689 6.744 1.00 0.00 C ATOM 495 C ASP A 35 -16.098 -9.869 6.519 1.00 0.00 C ATOM 496 O ASP A 35 -15.586 -10.988 6.562 1.00 0.00 O ATOM 497 CB ASP A 35 -18.366 -10.117 5.493 1.00 0.00 C ATOM 498 CG ASP A 35 -19.743 -10.659 5.821 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.439 -10.045 6.657 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.127 -11.696 5.241 1.00 0.00 O ATOM 0 H ASP A 35 -18.268 -7.754 6.307 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.895 -10.319 7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.465 -9.265 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.796 -10.878 4.961 1.00 0.00 H new ATOM 505 N LYS A 36 -15.397 -8.764 6.279 1.00 0.00 N ATOM 506 CA LYS A 36 -13.957 -8.818 6.050 1.00 0.00 C ATOM 507 C LYS A 36 -13.245 -7.652 6.723 1.00 0.00 C ATOM 508 O LYS A 36 -13.782 -6.548 6.811 1.00 0.00 O ATOM 509 CB LYS A 36 -13.656 -8.822 4.550 1.00 0.00 C ATOM 510 CG LYS A 36 -14.504 -9.808 3.762 1.00 0.00 C ATOM 511 CD LYS A 36 -13.964 -10.006 2.355 1.00 0.00 C ATOM 512 CE LYS A 36 -13.084 -11.242 2.265 1.00 0.00 C ATOM 513 NZ LYS A 36 -12.097 -11.142 1.154 1.00 0.00 N ATOM 0 H LYS A 36 -15.799 -7.828 6.238 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.584 -9.742 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.816 -7.820 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.603 -9.060 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.528 -10.766 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.531 -9.447 3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.794 -10.098 1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.391 -9.128 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.556 -11.381 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.709 -12.123 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.517 -12.004 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.601 -11.035 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.483 -10.317 1.308 1.00 0.00 H new ATOM 527 N VAL A 37 -12.031 -7.909 7.198 1.00 0.00 N ATOM 528 CA VAL A 37 -11.241 -6.886 7.868 1.00 0.00 C ATOM 529 C VAL A 37 -9.755 -7.037 7.539 1.00 0.00 C ATOM 530 O VAL A 37 -9.270 -8.145 7.309 1.00 0.00 O ATOM 531 CB VAL A 37 -11.460 -6.935 9.401 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.285 -7.588 10.121 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.715 -5.538 9.942 1.00 0.00 C ATOM 0 H VAL A 37 -11.574 -8.818 7.131 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.576 -5.915 7.502 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.338 -7.552 9.591 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.478 -7.603 11.194 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.160 -8.609 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.376 -7.020 9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.867 -5.588 11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.857 -4.902 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.604 -5.121 9.469 1.00 0.00 H new ATOM 543 N HIS A 38 -9.039 -5.917 7.522 1.00 0.00 N ATOM 544 CA HIS A 38 -7.610 -5.924 7.225 1.00 0.00 C ATOM 545 C HIS A 38 -6.892 -4.828 8.007 1.00 0.00 C ATOM 546 O HIS A 38 -7.457 -3.766 8.262 1.00 0.00 O ATOM 547 CB HIS A 38 -7.374 -5.736 5.725 1.00 0.00 C ATOM 548 CG HIS A 38 -6.068 -6.295 5.251 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.931 -7.574 4.757 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.834 -5.739 5.196 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.671 -7.782 4.420 1.00 0.00 C ATOM 552 NE2 HIS A 38 -3.985 -6.684 4.676 1.00 0.00 N ATOM 0 H HIS A 38 -9.425 -4.992 7.711 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.205 -6.890 7.527 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.185 -6.213 5.175 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.412 -4.672 5.490 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.685 -8.254 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.568 -4.739 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.270 -8.695 4.005 1.00 0.00 H new ATOM 561 N THR A 39 -5.649 -5.092 8.394 1.00 0.00 N ATOM 562 CA THR A 39 -4.869 -4.121 9.153 1.00 0.00 C ATOM 563 C THR A 39 -3.442 -4.009 8.620 1.00 0.00 C ATOM 564 O THR A 39 -2.617 -4.897 8.837 1.00 0.00 O ATOM 565 CB THR A 39 -4.840 -4.508 10.632 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.104 -4.996 11.048 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.469 -3.359 11.545 1.00 0.00 C ATOM 0 H THR A 39 -5.162 -5.966 8.196 1.00 0.00 H new ATOM 0 HA THR A 39 -5.350 -3.149 9.040 1.00 0.00 H new ATOM 0 HB THR A 39 -4.073 -5.278 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.065 -5.240 11.996 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.467 -3.702 12.580 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.477 -2.992 11.283 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.196 -2.554 11.431 1.00 0.00 H new ATOM 575 N VAL A 40 -3.157 -2.907 7.932 1.00 0.00 N ATOM 576 CA VAL A 40 -1.828 -2.671 7.381 1.00 0.00 C ATOM 577 C VAL A 40 -1.028 -1.767 8.290 1.00 0.00 C ATOM 578 O VAL A 40 -1.523 -0.751 8.765 1.00 0.00 O ATOM 579 CB VAL A 40 -1.895 -2.034 5.981 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.628 -1.245 5.654 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.129 -3.110 4.947 1.00 0.00 C ATOM 0 H VAL A 40 -3.829 -2.164 7.743 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.341 -3.643 7.301 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.726 -1.328 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.716 -0.812 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.497 -0.448 6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.234 -1.912 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.176 -2.658 3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.311 -3.830 4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.069 -3.620 5.159 1.00 0.00 H new ATOM 591 N VAL A 41 0.215 -2.127 8.518 1.00 0.00 N ATOM 592 CA VAL A 41 1.070 -1.313 9.365 1.00 0.00 C ATOM 593 C VAL A 41 2.006 -0.448 8.531 1.00 0.00 C ATOM 594 O VAL A 41 2.978 -0.936 7.955 1.00 0.00 O ATOM 595 CB VAL A 41 1.866 -2.167 10.373 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.883 -1.320 11.128 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.907 -2.837 11.341 1.00 0.00 C ATOM 0 H VAL A 41 0.655 -2.965 8.137 1.00 0.00 H new ATOM 0 HA VAL A 41 0.417 -0.656 9.939 1.00 0.00 H new ATOM 0 HB VAL A 41 2.416 -2.932 9.824 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.429 -1.948 11.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.582 -0.875 10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.366 -0.530 11.673 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.471 -3.440 12.053 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.341 -2.076 11.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.219 -3.477 10.788 1.00 0.00 H new ATOM 607 N LEU A 42 1.695 0.842 8.473 1.00 0.00 N ATOM 608 CA LEU A 42 2.492 1.794 7.710 1.00 0.00 C ATOM 609 C LEU A 42 3.960 1.747 8.132 1.00 0.00 C ATOM 610 O LEU A 42 4.848 2.103 7.357 1.00 0.00 O ATOM 611 CB LEU A 42 1.934 3.209 7.889 1.00 0.00 C ATOM 612 CG LEU A 42 0.638 3.500 7.124 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.814 3.199 5.642 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.522 2.696 7.703 1.00 0.00 C ATOM 0 H LEU A 42 0.892 1.254 8.948 1.00 0.00 H new ATOM 0 HA LEU A 42 2.435 1.518 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.757 3.381 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.693 3.925 7.572 1.00 0.00 H new ATOM 0 HG LEU A 42 0.406 4.559 7.234 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.116 3.411 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.611 3.822 5.236 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.073 2.148 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.432 2.917 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.300 1.631 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.664 2.964 8.750 1.00 0.00 H new ATOM 626 N SER A 43 4.210 1.304 9.361 1.00 0.00 N ATOM 627 CA SER A 43 5.572 1.209 9.877 1.00 0.00 C ATOM 628 C SER A 43 6.381 0.179 9.096 1.00 0.00 C ATOM 629 O SER A 43 7.600 0.294 8.974 1.00 0.00 O ATOM 630 CB SER A 43 5.555 0.847 11.364 1.00 0.00 C ATOM 631 OG SER A 43 5.480 -0.556 11.551 1.00 0.00 O ATOM 0 H SER A 43 3.488 1.006 10.017 1.00 0.00 H new ATOM 0 HA SER A 43 6.047 2.182 9.755 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.454 1.233 11.845 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.704 1.327 11.848 1.00 0.00 H new ATOM 0 HG SER A 43 5.472 -0.758 12.510 1.00 0.00 H new ATOM 637 N THR A 44 5.691 -0.819 8.565 1.00 0.00 N ATOM 638 CA THR A 44 6.338 -1.871 7.786 1.00 0.00 C ATOM 639 C THR A 44 6.313 -1.525 6.306 1.00 0.00 C ATOM 640 O THR A 44 7.215 -1.890 5.552 1.00 0.00 O ATOM 641 CB THR A 44 5.648 -3.221 8.016 1.00 0.00 C ATOM 642 OG1 THR A 44 4.589 -3.409 7.092 1.00 0.00 O ATOM 643 CG2 THR A 44 5.070 -3.371 9.405 1.00 0.00 C ATOM 0 H THR A 44 4.681 -0.925 8.658 1.00 0.00 H new ATOM 0 HA THR A 44 7.374 -1.948 8.116 1.00 0.00 H new ATOM 0 HB THR A 44 6.430 -3.968 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.936 -2.685 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.597 -4.349 9.499 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.868 -3.282 10.143 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.328 -2.591 9.577 1.00 0.00 H new ATOM 651 N ILE A 45 5.267 -0.822 5.905 1.00 0.00 N ATOM 652 CA ILE A 45 5.099 -0.415 4.515 1.00 0.00 C ATOM 653 C ILE A 45 6.379 0.207 3.961 1.00 0.00 C ATOM 654 O ILE A 45 6.672 1.378 4.207 1.00 0.00 O ATOM 655 CB ILE A 45 3.933 0.583 4.360 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.620 -0.073 4.794 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.829 1.078 2.924 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.332 -1.378 4.082 1.00 0.00 C ATOM 0 H ILE A 45 4.516 -0.518 6.525 1.00 0.00 H new ATOM 0 HA ILE A 45 4.870 -1.316 3.946 1.00 0.00 H new ATOM 0 HB ILE A 45 4.128 1.443 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.651 -0.254 5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.799 0.620 4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.000 1.780 2.840 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.757 1.577 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.656 0.232 2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.387 -1.786 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.268 -1.200 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.134 -2.088 4.285 1.00 0.00 H new ATOM 670 N ASP A 46 7.136 -0.589 3.214 1.00 0.00 N ATOM 671 CA ASP A 46 8.384 -0.125 2.624 1.00 0.00 C ATOM 672 C ASP A 46 8.119 0.800 1.439 1.00 0.00 C ATOM 673 O ASP A 46 8.926 1.679 1.137 1.00 0.00 O ATOM 674 CB ASP A 46 9.233 -1.317 2.178 1.00 0.00 C ATOM 675 CG ASP A 46 10.688 -0.944 1.967 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.972 0.260 1.790 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.542 -1.854 1.979 1.00 0.00 O ATOM 0 H ASP A 46 6.906 -1.560 3.003 1.00 0.00 H new ATOM 0 HA ASP A 46 8.928 0.438 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.168 -2.106 2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.827 -1.723 1.251 1.00 0.00 H new ATOM 682 N LYS A 47 6.984 0.601 0.771 1.00 0.00 N ATOM 683 CA LYS A 47 6.622 1.423 -0.378 1.00 0.00 C ATOM 684 C LYS A 47 5.109 1.568 -0.497 1.00 0.00 C ATOM 685 O LYS A 47 4.359 0.643 -0.184 1.00 0.00 O ATOM 686 CB LYS A 47 7.181 0.819 -1.669 1.00 0.00 C ATOM 687 CG LYS A 47 8.682 0.582 -1.639 1.00 0.00 C ATOM 688 CD LYS A 47 9.020 -0.777 -1.048 1.00 0.00 C ATOM 689 CE LYS A 47 9.408 -1.775 -2.127 1.00 0.00 C ATOM 690 NZ LYS A 47 9.802 -3.091 -1.552 1.00 0.00 N ATOM 0 H LYS A 47 6.302 -0.120 1.006 1.00 0.00 H new ATOM 0 HA LYS A 47 7.056 2.411 -0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.677 -0.128 -1.863 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.944 1.482 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.082 0.650 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.163 1.365 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.840 -0.672 -0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.163 -1.156 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.571 -1.914 -2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.235 -1.373 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.451 -3.856 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.839 -3.146 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.392 -3.191 -0.602 1.00 0.00 H new ATOM 704 N LEU A 48 4.671 2.731 -0.965 1.00 0.00 N ATOM 705 CA LEU A 48 3.250 3.000 -1.143 1.00 0.00 C ATOM 706 C LEU A 48 2.905 3.041 -2.629 1.00 0.00 C ATOM 707 O LEU A 48 3.758 3.350 -3.462 1.00 0.00 O ATOM 708 CB LEU A 48 2.871 4.326 -0.478 1.00 0.00 C ATOM 709 CG LEU A 48 1.634 4.271 0.422 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.036 4.311 1.889 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.686 5.417 0.098 1.00 0.00 C ATOM 0 H LEU A 48 5.282 3.504 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 48 2.682 2.198 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.718 4.672 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.702 5.070 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 48 1.116 3.331 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.143 4.271 2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.675 3.457 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.579 5.234 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.187 5.361 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.196 6.367 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.369 5.344 -0.942 1.00 0.00 H new ATOM 723 N GLN A 49 1.658 2.727 -2.962 1.00 0.00 N ATOM 724 CA GLN A 49 1.224 2.731 -4.354 1.00 0.00 C ATOM 725 C GLN A 49 -0.163 3.347 -4.499 1.00 0.00 C ATOM 726 O GLN A 49 -1.046 3.118 -3.673 1.00 0.00 O ATOM 727 CB GLN A 49 1.224 1.308 -4.915 1.00 0.00 C ATOM 728 CG GLN A 49 1.786 1.211 -6.323 1.00 0.00 C ATOM 729 CD GLN A 49 3.248 0.806 -6.342 1.00 0.00 C ATOM 730 OE1 GLN A 49 4.088 1.446 -5.710 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.557 -0.262 -7.068 1.00 0.00 N ATOM 0 H GLN A 49 0.934 2.468 -2.292 1.00 0.00 H new ATOM 0 HA GLN A 49 1.928 3.340 -4.921 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.807 0.666 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.203 0.925 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.205 0.486 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.673 2.173 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.827 -0.762 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.524 -0.582 -7.118 1.00 0.00 H new ATOM 740 N ALA A 50 -0.346 4.125 -5.559 1.00 0.00 N ATOM 741 CA ALA A 50 -1.623 4.774 -5.824 1.00 0.00 C ATOM 742 C ALA A 50 -1.720 5.220 -7.278 1.00 0.00 C ATOM 743 O ALA A 50 -0.807 5.852 -7.806 1.00 0.00 O ATOM 744 CB ALA A 50 -1.820 5.960 -4.894 1.00 0.00 C ATOM 0 H ALA A 50 0.377 4.322 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.414 4.048 -5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.779 6.433 -5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.805 5.617 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.018 6.681 -5.049 1.00 0.00 H new ATOM 750 N THR A 51 -2.835 4.886 -7.918 1.00 0.00 N ATOM 751 CA THR A 51 -3.050 5.255 -9.314 1.00 0.00 C ATOM 752 C THR A 51 -3.079 6.767 -9.479 1.00 0.00 C ATOM 753 O THR A 51 -3.504 7.501 -8.587 1.00 0.00 O ATOM 754 CB THR A 51 -4.350 4.644 -9.842 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.452 5.030 -9.039 1.00 0.00 O ATOM 756 CG2 THR A 51 -4.323 3.133 -9.895 1.00 0.00 C ATOM 0 H THR A 51 -3.602 4.363 -7.495 1.00 0.00 H new ATOM 0 HA THR A 51 -2.217 4.860 -9.895 1.00 0.00 H new ATOM 0 HB THR A 51 -4.454 5.024 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.932 5.765 -9.474 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.275 2.765 -10.278 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.517 2.806 -10.552 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.158 2.737 -8.893 1.00 0.00 H new ATOM 764 N PRO A 52 -2.624 7.244 -10.644 1.00 0.00 N ATOM 765 CA PRO A 52 -2.582 8.656 -10.978 1.00 0.00 C ATOM 766 C PRO A 52 -3.901 9.155 -11.542 1.00 0.00 C ATOM 767 O PRO A 52 -4.746 8.366 -11.961 1.00 0.00 O ATOM 768 CB PRO A 52 -1.472 8.745 -12.032 1.00 0.00 C ATOM 769 CG PRO A 52 -1.148 7.335 -12.427 1.00 0.00 C ATOM 770 CD PRO A 52 -2.136 6.433 -11.758 1.00 0.00 C ATOM 0 HA PRO A 52 -2.398 9.276 -10.101 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.801 9.324 -12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.593 9.247 -11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.199 7.221 -13.510 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.132 7.078 -12.127 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.943 6.148 -12.433 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.670 5.511 -11.411 1.00 0.00 H new ATOM 778 N ALA A 53 -4.062 10.469 -11.572 1.00 0.00 N ATOM 779 CA ALA A 53 -5.270 11.069 -12.112 1.00 0.00 C ATOM 780 C ALA A 53 -5.402 10.792 -13.612 1.00 0.00 C ATOM 781 O ALA A 53 -6.420 11.127 -14.219 1.00 0.00 O ATOM 782 CB ALA A 53 -5.277 12.567 -11.847 1.00 0.00 C ATOM 0 H ALA A 53 -3.373 11.138 -11.229 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.126 10.617 -11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.187 13.005 -12.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.240 12.747 -10.773 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.409 13.025 -12.322 1.00 0.00 H new ATOM 788 N SER A 54 -4.373 10.182 -14.213 1.00 0.00 N ATOM 789 CA SER A 54 -4.401 9.877 -15.639 1.00 0.00 C ATOM 790 C SER A 54 -4.989 8.492 -15.894 1.00 0.00 C ATOM 791 O SER A 54 -5.459 8.199 -16.995 1.00 0.00 O ATOM 792 CB SER A 54 -2.993 9.963 -16.230 1.00 0.00 C ATOM 793 OG SER A 54 -2.582 11.311 -16.374 1.00 0.00 O ATOM 0 H SER A 54 -3.520 9.894 -13.734 1.00 0.00 H new ATOM 0 HA SER A 54 -5.038 10.615 -16.126 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.292 9.433 -15.586 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.972 9.467 -17.201 1.00 0.00 H new ATOM 0 HG SER A 54 -1.678 11.339 -16.752 1.00 0.00 H new ATOM 799 N SER A 55 -4.961 7.643 -14.874 1.00 0.00 N ATOM 800 CA SER A 55 -5.491 6.290 -14.990 1.00 0.00 C ATOM 801 C SER A 55 -6.920 6.219 -14.463 1.00 0.00 C ATOM 802 O SER A 55 -7.170 6.467 -13.284 1.00 0.00 O ATOM 803 CB SER A 55 -4.604 5.305 -14.226 1.00 0.00 C ATOM 804 OG SER A 55 -4.937 3.964 -14.545 1.00 0.00 O ATOM 0 H SER A 55 -4.577 7.868 -13.956 1.00 0.00 H new ATOM 0 HA SER A 55 -5.498 6.019 -16.046 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.557 5.490 -14.468 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.717 5.466 -13.154 1.00 0.00 H new ATOM 0 HG SER A 55 -4.355 3.355 -14.045 1.00 0.00 H new ATOM 810 N GLU A 56 -7.855 5.879 -15.345 1.00 0.00 N ATOM 811 CA GLU A 56 -9.260 5.776 -14.968 1.00 0.00 C ATOM 812 C GLU A 56 -9.457 4.748 -13.857 1.00 0.00 C ATOM 813 O GLU A 56 -10.458 4.778 -13.142 1.00 0.00 O ATOM 814 CB GLU A 56 -10.110 5.405 -16.186 1.00 0.00 C ATOM 815 CG GLU A 56 -10.906 6.570 -16.750 1.00 0.00 C ATOM 816 CD GLU A 56 -12.273 6.707 -16.108 1.00 0.00 C ATOM 817 OE1 GLU A 56 -12.368 7.359 -15.047 1.00 0.00 O ATOM 818 OE2 GLU A 56 -13.248 6.163 -16.667 1.00 0.00 O ATOM 0 H GLU A 56 -7.665 5.670 -16.325 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.581 6.748 -14.593 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.459 5.009 -16.966 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.798 4.606 -15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.345 7.493 -16.603 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.025 6.437 -17.825 1.00 0.00 H new ATOM 825 N LYS A 57 -8.499 3.839 -13.721 1.00 0.00 N ATOM 826 CA LYS A 57 -8.566 2.802 -12.702 1.00 0.00 C ATOM 827 C LYS A 57 -8.052 3.321 -11.363 1.00 0.00 C ATOM 828 O LYS A 57 -6.891 3.710 -11.241 1.00 0.00 O ATOM 829 CB LYS A 57 -7.745 1.590 -13.141 1.00 0.00 C ATOM 830 CG LYS A 57 -8.428 0.718 -14.188 1.00 0.00 C ATOM 831 CD LYS A 57 -9.231 1.529 -15.195 1.00 0.00 C ATOM 832 CE LYS A 57 -8.326 2.326 -16.118 1.00 0.00 C ATOM 833 NZ LYS A 57 -8.168 1.671 -17.447 1.00 0.00 N ATOM 0 H LYS A 57 -7.665 3.800 -14.306 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.608 2.508 -12.578 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.791 1.936 -13.539 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -7.522 0.980 -12.266 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.674 0.134 -14.716 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.089 0.009 -13.689 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.857 0.860 -15.786 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.901 2.207 -14.666 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.737 3.326 -16.253 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.347 2.444 -15.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.543 2.247 -18.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.752 0.726 -17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.099 1.582 -17.903 1.00 0.00 H new ATOM 847 N MET A 58 -8.924 3.323 -10.360 1.00 0.00 N ATOM 848 CA MET A 58 -8.557 3.794 -9.029 1.00 0.00 C ATOM 849 C MET A 58 -8.220 2.621 -8.113 1.00 0.00 C ATOM 850 O MET A 58 -9.109 1.895 -7.668 1.00 0.00 O ATOM 851 CB MET A 58 -9.696 4.617 -8.422 1.00 0.00 C ATOM 852 CG MET A 58 -10.348 5.578 -9.403 1.00 0.00 C ATOM 853 SD MET A 58 -10.081 7.308 -8.969 1.00 0.00 S ATOM 854 CE MET A 58 -8.852 7.774 -10.186 1.00 0.00 C ATOM 0 H MET A 58 -9.889 3.004 -10.443 1.00 0.00 H new ATOM 0 HA MET A 58 -7.674 4.425 -9.125 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.455 3.938 -8.033 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.311 5.184 -7.574 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.953 5.394 -10.402 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.419 5.379 -9.442 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.686 8.850 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.917 7.254 -9.977 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.204 7.501 -11.181 1.00 0.00 H new ATOM 864 N MET A 59 -6.932 2.440 -7.837 1.00 0.00 N ATOM 865 CA MET A 59 -6.484 1.353 -6.974 1.00 0.00 C ATOM 866 C MET A 59 -5.174 1.707 -6.280 1.00 0.00 C ATOM 867 O MET A 59 -4.276 2.290 -6.886 1.00 0.00 O ATOM 868 CB MET A 59 -6.304 0.066 -7.784 1.00 0.00 C ATOM 869 CG MET A 59 -7.364 -0.141 -8.854 1.00 0.00 C ATOM 870 SD MET A 59 -7.050 -1.598 -9.869 1.00 0.00 S ATOM 871 CE MET A 59 -5.492 -1.152 -10.631 1.00 0.00 C ATOM 0 H MET A 59 -6.182 3.030 -8.197 1.00 0.00 H new ATOM 0 HA MET A 59 -7.249 1.196 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.322 0.080 -8.257 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.318 -0.785 -7.103 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.340 -0.237 -8.379 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.406 0.741 -9.494 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.600 -1.167 -11.716 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.202 -0.152 -10.309 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.724 -1.866 -10.333 1.00 0.00 H new ATOM 881 N LEU A 60 -5.070 1.346 -5.006 1.00 0.00 N ATOM 882 CA LEU A 60 -3.864 1.617 -4.230 1.00 0.00 C ATOM 883 C LEU A 60 -3.214 0.314 -3.772 1.00 0.00 C ATOM 884 O LEU A 60 -3.830 -0.750 -3.832 1.00 0.00 O ATOM 885 CB LEU A 60 -4.194 2.489 -3.017 1.00 0.00 C ATOM 886 CG LEU A 60 -4.166 3.997 -3.274 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.384 4.424 -4.078 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.097 4.759 -1.960 1.00 0.00 C ATOM 0 H LEU A 60 -5.806 0.865 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.162 2.152 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.184 2.217 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.486 2.259 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.274 4.232 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.347 5.500 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.389 3.902 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.290 4.177 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.078 5.830 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.971 4.519 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.193 4.475 -1.422 1.00 0.00 H new ATOM 900 N ARG A 61 -1.967 0.400 -3.315 1.00 0.00 N ATOM 901 CA ARG A 61 -1.244 -0.780 -2.849 1.00 0.00 C ATOM 902 C ARG A 61 -0.256 -0.423 -1.741 1.00 0.00 C ATOM 903 O ARG A 61 0.222 0.709 -1.661 1.00 0.00 O ATOM 904 CB ARG A 61 -0.503 -1.447 -4.010 1.00 0.00 C ATOM 905 CG ARG A 61 -1.293 -1.470 -5.309 1.00 0.00 C ATOM 906 CD ARG A 61 -0.445 -1.969 -6.468 1.00 0.00 C ATOM 907 NE ARG A 61 -0.638 -3.396 -6.713 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.010 -4.075 -7.670 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.851 -3.461 -8.474 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.243 -5.371 -7.825 1.00 0.00 N ATOM 0 H ARG A 61 -1.438 1.270 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.977 -1.478 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.438 -0.923 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.253 -2.470 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.167 -2.111 -5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.660 -0.468 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.697 -1.409 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.607 -1.776 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.292 -3.902 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.034 -2.464 -8.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.329 -3.987 -9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.903 -5.847 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.238 -5.892 -8.558 1.00 0.00 H new ATOM 924 N LEU A 62 0.044 -1.400 -0.891 1.00 0.00 N ATOM 925 CA LEU A 62 0.975 -1.202 0.216 1.00 0.00 C ATOM 926 C LEU A 62 2.058 -2.278 0.206 1.00 0.00 C ATOM 927 O LEU A 62 1.767 -3.463 0.361 1.00 0.00 O ATOM 928 CB LEU A 62 0.221 -1.234 1.556 1.00 0.00 C ATOM 929 CG LEU A 62 0.033 0.112 2.286 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.730 1.258 1.571 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.446 0.420 2.456 1.00 0.00 C ATOM 0 H LEU A 62 -0.346 -2.341 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 62 1.449 -0.228 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.765 -1.664 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.750 -1.912 2.226 1.00 0.00 H new ATOM 0 HG LEU A 62 0.496 0.013 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.568 2.184 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.799 1.053 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.323 1.360 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.562 1.373 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.920 0.478 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.917 -0.370 3.041 1.00 0.00 H new ATOM 943 N ILE A 63 3.307 -1.860 0.026 1.00 0.00 N ATOM 944 CA ILE A 63 4.428 -2.793 0.000 1.00 0.00 C ATOM 945 C ILE A 63 4.958 -3.050 1.404 1.00 0.00 C ATOM 946 O ILE A 63 5.449 -2.140 2.069 1.00 0.00 O ATOM 947 CB ILE A 63 5.576 -2.268 -0.887 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.099 -2.119 -2.330 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.778 -3.202 -0.821 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.515 -3.393 -2.897 1.00 0.00 C ATOM 0 H ILE A 63 3.568 -0.883 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 63 4.055 -3.727 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 63 5.882 -1.291 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.349 -1.330 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.936 -1.802 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.576 -2.813 -1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.131 -3.269 0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.488 -4.193 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.195 -3.221 -3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.270 -4.179 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.658 -3.699 -2.297 1.00 0.00 H new ATOM 962 N GLY A 64 4.860 -4.297 1.844 1.00 0.00 N ATOM 963 CA GLY A 64 5.335 -4.658 3.168 1.00 0.00 C ATOM 964 C GLY A 64 6.829 -4.913 3.193 1.00 0.00 C ATOM 965 O GLY A 64 7.419 -5.278 2.178 1.00 0.00 O ATOM 0 H GLY A 64 4.460 -5.067 1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.093 -3.859 3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.810 -5.551 3.509 1.00 0.00 H new ATOM 969 N LYS A 65 7.445 -4.722 4.357 1.00 0.00 N ATOM 970 CA LYS A 65 8.880 -4.938 4.500 1.00 0.00 C ATOM 971 C LYS A 65 9.242 -6.388 4.189 1.00 0.00 C ATOM 972 O LYS A 65 8.539 -7.313 4.594 1.00 0.00 O ATOM 973 CB LYS A 65 9.336 -4.571 5.914 1.00 0.00 C ATOM 974 CG LYS A 65 10.560 -3.669 5.945 1.00 0.00 C ATOM 975 CD LYS A 65 10.354 -2.416 5.109 1.00 0.00 C ATOM 976 CE LYS A 65 10.864 -1.176 5.827 1.00 0.00 C ATOM 977 NZ LYS A 65 9.913 -0.709 6.874 1.00 0.00 N ATOM 0 H LYS A 65 6.975 -4.420 5.210 1.00 0.00 H new ATOM 0 HA LYS A 65 9.395 -4.294 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.516 -4.075 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.555 -5.486 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.779 -3.388 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.426 -4.217 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.872 -2.524 4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.294 -2.297 4.885 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.829 -1.393 6.284 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.026 -0.378 5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.943 0.329 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.950 -1.015 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.182 -1.115 7.793 1.00 0.00 H new ATOM 991 N VAL A 66 10.340 -6.576 3.466 1.00 0.00 N ATOM 992 CA VAL A 66 10.801 -7.890 3.098 1.00 0.00 C ATOM 993 C VAL A 66 11.994 -8.290 3.957 1.00 0.00 C ATOM 994 O VAL A 66 11.912 -8.312 5.185 1.00 0.00 O ATOM 995 CB VAL A 66 11.122 -7.921 1.582 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.236 -6.941 1.232 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.451 -9.335 1.119 1.00 0.00 C ATOM 0 H VAL A 66 10.928 -5.816 3.124 1.00 0.00 H new ATOM 0 HA VAL A 66 10.018 -8.626 3.283 1.00 0.00 H new ATOM 0 HB VAL A 66 10.229 -7.601 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.438 -6.987 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.929 -5.930 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.139 -7.205 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.672 -9.326 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.318 -9.704 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.598 -9.987 1.308 1.00 0.00 H new ATOM 1007 N ASP A 67 13.080 -8.598 3.312 1.00 0.00 N ATOM 1008 CA ASP A 67 14.308 -9.000 3.989 1.00 0.00 C ATOM 1009 C ASP A 67 15.511 -8.852 3.064 1.00 0.00 C ATOM 1010 O ASP A 67 15.550 -9.436 1.982 1.00 0.00 O ATOM 1011 CB ASP A 67 14.197 -10.447 4.473 1.00 0.00 C ATOM 1012 CG ASP A 67 13.368 -10.571 5.737 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.913 -10.321 6.832 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.173 -10.920 5.630 1.00 0.00 O ATOM 0 H ASP A 67 13.154 -8.582 2.295 1.00 0.00 H new ATOM 0 HA ASP A 67 14.451 -8.346 4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.751 -11.057 3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.196 -10.844 4.656 1.00 0.00 H new ATOM 1019 N GLU A 68 16.492 -8.067 3.498 1.00 0.00 N ATOM 1020 CA GLU A 68 17.697 -7.843 2.708 1.00 0.00 C ATOM 1021 C GLU A 68 18.871 -8.637 3.270 1.00 0.00 C ATOM 1022 O GLU A 68 20.021 -8.205 3.191 1.00 0.00 O ATOM 1023 CB GLU A 68 18.042 -6.352 2.679 1.00 0.00 C ATOM 1024 CG GLU A 68 17.122 -5.532 1.790 1.00 0.00 C ATOM 1025 CD GLU A 68 17.838 -4.376 1.119 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.840 -4.627 0.417 1.00 0.00 O ATOM 1027 OE2 GLU A 68 17.395 -3.222 1.293 1.00 0.00 O ATOM 0 H GLU A 68 16.476 -7.576 4.392 1.00 0.00 H new ATOM 0 HA GLU A 68 17.504 -8.185 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.999 -5.958 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.069 -6.232 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.689 -6.179 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.296 -5.146 2.387 1.00 0.00 H new ATOM 1034 N SER A 69 18.574 -9.801 3.837 1.00 0.00 N ATOM 1035 CA SER A 69 19.605 -10.657 4.412 1.00 0.00 C ATOM 1036 C SER A 69 19.259 -12.131 4.222 1.00 0.00 C ATOM 1037 O SER A 69 19.528 -12.959 5.092 1.00 0.00 O ATOM 1038 CB SER A 69 19.781 -10.350 5.901 1.00 0.00 C ATOM 1039 OG SER A 69 20.220 -9.018 6.098 1.00 0.00 O ATOM 0 H SER A 69 17.627 -10.174 3.911 1.00 0.00 H new ATOM 0 HA SER A 69 20.541 -10.453 3.893 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.836 -10.506 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.502 -11.042 6.336 1.00 0.00 H new ATOM 0 HG SER A 69 20.323 -8.846 7.057 1.00 0.00 H new ATOM 1045 N LYS A 70 18.660 -12.449 3.080 1.00 0.00 N ATOM 1046 CA LYS A 70 18.277 -13.824 2.776 1.00 0.00 C ATOM 1047 C LYS A 70 18.754 -14.227 1.384 1.00 0.00 C ATOM 1048 O LYS A 70 19.568 -15.138 1.236 1.00 0.00 O ATOM 1049 CB LYS A 70 16.759 -13.985 2.873 1.00 0.00 C ATOM 1050 CG LYS A 70 16.254 -14.132 4.298 1.00 0.00 C ATOM 1051 CD LYS A 70 16.924 -15.294 5.011 1.00 0.00 C ATOM 1052 CE LYS A 70 16.190 -15.664 6.289 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.592 -17.006 6.794 1.00 0.00 N ATOM 0 H LYS A 70 18.429 -11.775 2.350 1.00 0.00 H new ATOM 0 HA LYS A 70 18.753 -14.478 3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.280 -13.120 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.457 -14.860 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.441 -13.210 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.175 -14.284 4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.958 -16.158 4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.955 -15.031 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.392 -14.914 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.115 -15.652 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.068 -17.220 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.376 -17.726 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.613 -17.011 6.993 1.00 0.00 H new ATOM 1067 N LYS A 71 18.242 -13.542 0.367 1.00 0.00 N ATOM 1068 CA LYS A 71 18.616 -13.830 -1.014 1.00 0.00 C ATOM 1069 C LYS A 71 18.228 -15.254 -1.398 1.00 0.00 C ATOM 1070 O LYS A 71 18.769 -16.221 -0.861 1.00 0.00 O ATOM 1071 CB LYS A 71 20.119 -13.627 -1.211 1.00 0.00 C ATOM 1072 CG LYS A 71 20.496 -12.209 -1.607 1.00 0.00 C ATOM 1073 CD LYS A 71 20.957 -11.398 -0.406 1.00 0.00 C ATOM 1074 CE LYS A 71 22.109 -10.475 -0.765 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.860 -9.746 -2.040 1.00 0.00 N ATOM 0 H LYS A 71 17.568 -12.784 0.472 1.00 0.00 H new ATOM 0 HA LYS A 71 18.076 -13.139 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.636 -13.887 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.472 -14.316 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 71 21.289 -12.238 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 71 19.639 -11.720 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.124 -10.809 -0.022 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.265 -12.072 0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.263 -9.756 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.027 -11.057 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.381 -8.846 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.183 -10.326 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.842 -9.557 -2.139 1.00 0.00 H new ATOM 1089 N ARG A 72 17.288 -15.376 -2.328 1.00 0.00 N ATOM 1090 CA ARG A 72 16.828 -16.683 -2.784 1.00 0.00 C ATOM 1091 C ARG A 72 16.593 -16.683 -4.291 1.00 0.00 C ATOM 1092 O ARG A 72 16.820 -15.678 -4.965 1.00 0.00 O ATOM 1093 CB ARG A 72 15.541 -17.075 -2.055 1.00 0.00 C ATOM 1094 CG ARG A 72 14.477 -15.990 -2.073 1.00 0.00 C ATOM 1095 CD ARG A 72 13.540 -16.149 -3.259 1.00 0.00 C ATOM 1096 NE ARG A 72 12.879 -14.893 -3.608 1.00 0.00 N ATOM 1097 CZ ARG A 72 11.871 -14.801 -4.470 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.405 -15.887 -5.076 1.00 0.00 N ATOM 1099 NH2 ARG A 72 11.326 -13.620 -4.730 1.00 0.00 N ATOM 0 H ARG A 72 16.829 -14.586 -2.781 1.00 0.00 H new ATOM 0 HA ARG A 72 17.604 -17.414 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.135 -17.978 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.780 -17.321 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.903 -16.026 -1.147 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.955 -15.011 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.102 -16.514 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.787 -16.903 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 72 13.211 -14.037 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.821 -16.798 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.631 -15.810 -5.736 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.680 -12.782 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.553 -13.550 -5.391 1.00 0.00 H new ATOM 1113 N LYS A 73 16.137 -17.817 -4.813 1.00 0.00 N ATOM 1114 CA LYS A 73 15.869 -17.948 -6.241 1.00 0.00 C ATOM 1115 C LYS A 73 14.368 -17.967 -6.515 1.00 0.00 C ATOM 1116 O LYS A 73 13.561 -18.075 -5.592 1.00 0.00 O ATOM 1117 CB LYS A 73 16.518 -19.223 -6.787 1.00 0.00 C ATOM 1118 CG LYS A 73 17.281 -19.009 -8.084 1.00 0.00 C ATOM 1119 CD LYS A 73 18.730 -18.632 -7.822 1.00 0.00 C ATOM 1120 CE LYS A 73 19.506 -19.791 -7.217 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.306 -21.053 -7.981 1.00 0.00 N ATOM 0 H LYS A 73 15.945 -18.658 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 73 16.299 -17.084 -6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.199 -19.624 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.745 -19.974 -6.950 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.243 -19.918 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.799 -18.223 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.202 -18.325 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.768 -17.776 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.568 -19.545 -7.195 1.00 0.00 H new ATOM 0 HE3 LYS A 73 19.191 -19.938 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.976 -21.773 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.333 -21.393 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.468 -20.876 -8.993 1.00 0.00 H new ATOM 1135 N ASP A 74 14.002 -17.859 -7.787 1.00 0.00 N ATOM 1136 CA ASP A 74 12.597 -17.863 -8.180 1.00 0.00 C ATOM 1137 C ASP A 74 12.179 -19.233 -8.709 1.00 0.00 C ATOM 1138 O ASP A 74 11.239 -19.342 -9.496 1.00 0.00 O ATOM 1139 CB ASP A 74 12.342 -16.794 -9.244 1.00 0.00 C ATOM 1140 CG ASP A 74 10.880 -16.405 -9.333 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.027 -17.194 -8.876 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.586 -15.312 -9.862 1.00 0.00 O ATOM 0 H ASP A 74 14.657 -17.768 -8.563 1.00 0.00 H new ATOM 0 HA ASP A 74 11.999 -17.639 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.937 -15.910 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.677 -17.163 -10.213 1.00 0.00 H new ATOM 1147 N ASN A 75 12.883 -20.275 -8.269 1.00 0.00 N ATOM 1148 CA ASN A 75 12.590 -21.644 -8.691 1.00 0.00 C ATOM 1149 C ASN A 75 12.993 -21.893 -10.146 1.00 0.00 C ATOM 1150 O ASN A 75 12.810 -22.993 -10.666 1.00 0.00 O ATOM 1151 CB ASN A 75 11.104 -21.947 -8.511 1.00 0.00 C ATOM 1152 CG ASN A 75 10.604 -21.593 -7.125 1.00 0.00 C ATOM 1153 OD1 ASN A 75 11.213 -21.962 -6.120 1.00 0.00 O ATOM 1154 ND2 ASN A 75 9.490 -20.875 -7.064 1.00 0.00 N ATOM 0 H ASN A 75 13.664 -20.196 -7.617 1.00 0.00 H new ATOM 0 HA ASN A 75 13.180 -22.310 -8.061 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.531 -21.392 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.927 -23.006 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.105 -20.607 -6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.019 -20.591 -7.923 1.00 0.00 H new ATOM 1161 N GLU A 76 13.540 -20.873 -10.801 1.00 0.00 N ATOM 1162 CA GLU A 76 13.962 -20.995 -12.192 1.00 0.00 C ATOM 1163 C GLU A 76 15.474 -21.132 -12.285 1.00 0.00 C ATOM 1164 O GLU A 76 16.001 -21.755 -13.207 1.00 0.00 O ATOM 1165 CB GLU A 76 13.502 -19.778 -12.998 1.00 0.00 C ATOM 1166 CG GLU A 76 12.278 -19.084 -12.421 1.00 0.00 C ATOM 1167 CD GLU A 76 11.858 -17.872 -13.229 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.749 -17.168 -13.750 1.00 0.00 O ATOM 1169 OE2 GLU A 76 10.638 -17.629 -13.344 1.00 0.00 O ATOM 0 H GLU A 76 13.701 -19.953 -10.391 1.00 0.00 H new ATOM 0 HA GLU A 76 13.502 -21.892 -12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.321 -19.061 -13.055 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.282 -20.092 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.450 -19.792 -12.378 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.488 -18.777 -11.396 1.00 0.00 H new ATOM 1176 N GLY A 77 16.164 -20.542 -11.320 1.00 0.00 N ATOM 1177 CA GLY A 77 17.613 -20.599 -11.296 1.00 0.00 C ATOM 1178 C GLY A 77 18.251 -19.227 -11.411 1.00 0.00 C ATOM 1179 O GLY A 77 19.383 -19.099 -11.878 1.00 0.00 O ATOM 0 H GLY A 77 15.745 -20.022 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.939 -21.071 -10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.962 -21.228 -12.115 1.00 0.00 H new ATOM 1183 N ASN A 78 17.523 -18.199 -10.985 1.00 0.00 N ATOM 1184 CA ASN A 78 18.025 -16.831 -11.044 1.00 0.00 C ATOM 1185 C ASN A 78 17.941 -16.163 -9.675 1.00 0.00 C ATOM 1186 O ASN A 78 16.857 -16.021 -9.109 1.00 0.00 O ATOM 1187 CB ASN A 78 17.234 -16.019 -12.071 1.00 0.00 C ATOM 1188 CG ASN A 78 18.105 -15.036 -12.827 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.002 -14.415 -12.255 1.00 0.00 O ATOM 1190 ND2 ASN A 78 17.847 -14.891 -14.122 1.00 0.00 N ATOM 0 H ASN A 78 16.584 -18.288 -10.596 1.00 0.00 H new ATOM 0 HA ASN A 78 19.071 -16.866 -11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 78 16.759 -16.698 -12.779 1.00 0.00 H new ATOM 0 HB3 ASN A 78 16.435 -15.477 -11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 78 18.402 -14.245 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN A 78 17.094 -15.426 -14.555 1.00 0.00 H new ATOM 1197 N GLU A 79 19.091 -15.754 -9.151 1.00 0.00 N ATOM 1198 CA GLU A 79 19.147 -15.100 -7.847 1.00 0.00 C ATOM 1199 C GLU A 79 18.302 -13.829 -7.839 1.00 0.00 C ATOM 1200 O GLU A 79 18.494 -12.939 -8.665 1.00 0.00 O ATOM 1201 CB GLU A 79 20.595 -14.766 -7.483 1.00 0.00 C ATOM 1202 CG GLU A 79 21.435 -15.987 -7.146 1.00 0.00 C ATOM 1203 CD GLU A 79 22.147 -16.557 -8.356 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.463 -16.879 -9.350 1.00 0.00 O ATOM 1205 OE2 GLU A 79 23.390 -16.681 -8.309 1.00 0.00 O ATOM 0 H GLU A 79 19.996 -15.863 -9.608 1.00 0.00 H new ATOM 0 HA GLU A 79 18.742 -15.788 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.057 -14.236 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.599 -14.086 -6.631 1.00 0.00 H new ATOM 0 HG2 GLU A 79 22.172 -15.719 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.795 -16.755 -6.711 1.00 0.00 H new ATOM 1212 N VAL A 80 17.368 -13.754 -6.897 1.00 0.00 N ATOM 1213 CA VAL A 80 16.494 -12.593 -6.780 1.00 0.00 C ATOM 1214 C VAL A 80 16.196 -12.274 -5.318 1.00 0.00 C ATOM 1215 O VAL A 80 16.760 -12.888 -4.412 1.00 0.00 O ATOM 1216 CB VAL A 80 15.166 -12.812 -7.534 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.428 -13.081 -9.008 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.375 -13.953 -6.910 1.00 0.00 C ATOM 0 H VAL A 80 17.197 -14.483 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 80 17.021 -11.751 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 80 14.571 -11.903 -7.452 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.480 -13.233 -9.524 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.947 -12.229 -9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.045 -13.974 -9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.442 -14.091 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.962 -14.870 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.154 -13.716 -5.869 1.00 0.00 H new ATOM 1228 N VAL A 81 15.308 -11.310 -5.094 1.00 0.00 N ATOM 1229 CA VAL A 81 14.937 -10.911 -3.742 1.00 0.00 C ATOM 1230 C VAL A 81 13.504 -11.332 -3.420 1.00 0.00 C ATOM 1231 O VAL A 81 12.607 -11.181 -4.249 1.00 0.00 O ATOM 1232 CB VAL A 81 15.067 -9.387 -3.553 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.844 -9.005 -2.099 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.426 -8.904 -4.037 1.00 0.00 C ATOM 0 H VAL A 81 14.832 -10.791 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 81 15.623 -11.415 -3.061 1.00 0.00 H new ATOM 0 HB VAL A 81 14.298 -8.899 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.940 -7.925 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.845 -9.314 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.586 -9.502 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.500 -7.826 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.212 -9.399 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.541 -9.140 -5.095 1.00 0.00 H new ATOM 1244 N PRO A 82 13.268 -11.866 -2.207 1.00 0.00 N ATOM 1245 CA PRO A 82 11.935 -12.306 -1.784 1.00 0.00 C ATOM 1246 C PRO A 82 10.878 -11.227 -1.990 1.00 0.00 C ATOM 1247 O PRO A 82 11.056 -10.082 -1.574 1.00 0.00 O ATOM 1248 CB PRO A 82 12.101 -12.619 -0.290 1.00 0.00 C ATOM 1249 CG PRO A 82 13.433 -12.068 0.090 1.00 0.00 C ATOM 1250 CD PRO A 82 14.267 -12.085 -1.156 1.00 0.00 C ATOM 0 HA PRO A 82 11.591 -13.160 -2.367 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.305 -12.161 0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.054 -13.693 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.338 -11.055 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.893 -12.669 0.874 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.026 -11.303 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.789 -13.034 -1.283 1.00 0.00 H new ATOM 1258 N LYS A 83 9.777 -11.600 -2.634 1.00 0.00 N ATOM 1259 CA LYS A 83 8.691 -10.663 -2.896 1.00 0.00 C ATOM 1260 C LYS A 83 8.071 -10.169 -1.590 1.00 0.00 C ATOM 1261 O LYS A 83 7.685 -10.969 -0.737 1.00 0.00 O ATOM 1262 CB LYS A 83 7.618 -11.325 -3.764 1.00 0.00 C ATOM 1263 CG LYS A 83 7.226 -12.716 -3.290 1.00 0.00 C ATOM 1264 CD LYS A 83 7.786 -13.797 -4.201 1.00 0.00 C ATOM 1265 CE LYS A 83 7.665 -15.174 -3.571 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.468 -15.909 -4.065 1.00 0.00 N ATOM 0 H LYS A 83 9.613 -12.544 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 83 9.104 -9.806 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.731 -10.691 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.980 -11.388 -4.790 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.590 -12.871 -2.274 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.140 -12.796 -3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.255 -13.783 -5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.833 -13.585 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.562 -15.753 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.607 -15.073 -2.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.422 -16.843 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.609 -15.369 -3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.535 -16.028 -5.096 1.00 0.00 H new ATOM 1280 N PRO A 84 7.963 -8.839 -1.412 1.00 0.00 N ATOM 1281 CA PRO A 84 7.385 -8.247 -0.203 1.00 0.00 C ATOM 1282 C PRO A 84 5.866 -8.362 -0.170 1.00 0.00 C ATOM 1283 O PRO A 84 5.199 -8.174 -1.187 1.00 0.00 O ATOM 1284 CB PRO A 84 7.802 -6.784 -0.298 1.00 0.00 C ATOM 1285 CG PRO A 84 7.892 -6.528 -1.757 1.00 0.00 C ATOM 1286 CD PRO A 84 8.395 -7.806 -2.373 1.00 0.00 C ATOM 0 HA PRO A 84 7.728 -8.749 0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.071 -6.129 0.177 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.757 -6.609 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.919 -6.254 -2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.570 -5.701 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.967 -7.972 -3.361 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.478 -7.796 -2.493 1.00 0.00 H new ATOM 1294 N GLN A 85 5.320 -8.664 1.005 1.00 0.00 N ATOM 1295 CA GLN A 85 3.876 -8.792 1.161 1.00 0.00 C ATOM 1296 C GLN A 85 3.178 -7.502 0.748 1.00 0.00 C ATOM 1297 O GLN A 85 3.364 -6.458 1.374 1.00 0.00 O ATOM 1298 CB GLN A 85 3.523 -9.137 2.609 1.00 0.00 C ATOM 1299 CG GLN A 85 4.149 -8.199 3.627 1.00 0.00 C ATOM 1300 CD GLN A 85 4.661 -8.927 4.854 1.00 0.00 C ATOM 1301 OE1 GLN A 85 4.278 -8.614 5.982 1.00 0.00 O ATOM 1302 NE2 GLN A 85 5.531 -9.906 4.640 1.00 0.00 N ATOM 0 H GLN A 85 5.854 -8.824 1.859 1.00 0.00 H new ATOM 0 HA GLN A 85 3.533 -9.599 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.439 -9.115 2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.846 -10.157 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.972 -7.659 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.412 -7.455 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.821 -10.132 3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.910 -10.433 5.427 1.00 0.00 H new ATOM 1311 N ARG A 86 2.386 -7.575 -0.315 1.00 0.00 N ATOM 1312 CA ARG A 86 1.674 -6.404 -0.815 1.00 0.00 C ATOM 1313 C ARG A 86 0.163 -6.594 -0.741 1.00 0.00 C ATOM 1314 O ARG A 86 -0.344 -7.705 -0.897 1.00 0.00 O ATOM 1315 CB ARG A 86 2.091 -6.108 -2.257 1.00 0.00 C ATOM 1316 CG ARG A 86 1.435 -4.866 -2.837 1.00 0.00 C ATOM 1317 CD ARG A 86 1.810 -4.665 -4.297 1.00 0.00 C ATOM 1318 NE ARG A 86 1.254 -5.708 -5.156 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.859 -6.867 -5.410 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.043 -7.141 -4.874 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.279 -7.756 -6.203 1.00 0.00 N ATOM 0 H ARG A 86 2.220 -8.430 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 86 1.939 -5.559 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.174 -5.989 -2.296 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.842 -6.966 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.352 -4.950 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.736 -3.992 -2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.452 -3.691 -4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.896 -4.657 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 86 0.346 -5.538 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.496 -6.461 -4.263 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.500 -8.031 -5.074 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.370 -7.552 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.742 -8.644 -6.398 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.548 -5.495 -0.512 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.003 -5.523 -0.427 1.00 0.00 C ATOM 1337 C HIS A 87 -2.614 -4.680 -1.541 1.00 0.00 C ATOM 1338 O HIS A 87 -2.411 -3.468 -1.595 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.470 -5.004 0.936 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.611 -5.450 2.078 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.742 -4.760 2.855 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -1.582 -6.750 2.536 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -0.211 -5.647 3.759 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -0.735 -6.840 3.546 1.00 0.00 N flip ATOM 0 H HIS A 87 -0.138 -4.570 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.334 -6.555 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.490 -3.914 0.912 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.493 -5.338 1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.161 -7.567 2.132 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.517 -5.408 4.520 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.522 -7.688 4.072 1.00 0.00 H new ATOM 1353 N MET A 88 -3.350 -5.328 -2.437 1.00 0.00 N ATOM 1354 CA MET A 88 -3.974 -4.632 -3.555 1.00 0.00 C ATOM 1355 C MET A 88 -5.343 -4.078 -3.174 1.00 0.00 C ATOM 1356 O MET A 88 -6.297 -4.831 -2.979 1.00 0.00 O ATOM 1357 CB MET A 88 -4.110 -5.573 -4.755 1.00 0.00 C ATOM 1358 CG MET A 88 -4.546 -4.871 -6.031 1.00 0.00 C ATOM 1359 SD MET A 88 -3.522 -5.305 -7.451 1.00 0.00 S ATOM 1360 CE MET A 88 -3.117 -3.680 -8.087 1.00 0.00 C ATOM 0 H MET A 88 -3.529 -6.332 -2.411 1.00 0.00 H new ATOM 0 HA MET A 88 -3.332 -3.793 -3.823 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.154 -6.066 -4.930 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.832 -6.353 -4.514 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.584 -5.127 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.509 -3.792 -5.878 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.265 -3.756 -8.762 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.974 -3.277 -8.627 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.866 -3.017 -7.259 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.431 -2.755 -3.080 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.682 -2.092 -2.735 1.00 0.00 C ATOM 1372 C PHE A 89 -7.306 -1.460 -3.974 1.00 0.00 C ATOM 1373 O PHE A 89 -6.598 -0.957 -4.847 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.443 -1.022 -1.668 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.121 -1.585 -0.312 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -7.135 -1.960 0.554 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.805 -1.736 0.095 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.843 -2.476 1.803 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.507 -2.252 1.342 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.527 -2.622 2.196 1.00 0.00 C ATOM 0 H PHE A 89 -4.648 -2.120 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.368 -2.839 -2.336 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.624 -0.378 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.331 -0.394 -1.590 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.165 -1.848 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.004 -1.447 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.642 -2.764 2.470 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.478 -2.366 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.296 -3.025 3.171 1.00 0.00 H new ATOM 1390 N SER A 90 -8.632 -1.490 -4.052 1.00 0.00 N ATOM 1391 CA SER A 90 -9.338 -0.920 -5.194 1.00 0.00 C ATOM 1392 C SER A 90 -10.199 0.265 -4.771 1.00 0.00 C ATOM 1393 O SER A 90 -11.199 0.101 -4.074 1.00 0.00 O ATOM 1394 CB SER A 90 -10.206 -1.986 -5.867 1.00 0.00 C ATOM 1395 OG SER A 90 -10.383 -3.110 -5.024 1.00 0.00 O ATOM 0 H SER A 90 -9.238 -1.901 -3.341 1.00 0.00 H new ATOM 0 HA SER A 90 -8.594 -0.564 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.177 -1.561 -6.120 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.742 -2.299 -6.802 1.00 0.00 H new ATOM 0 HG SER A 90 -10.942 -3.774 -5.478 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.802 1.458 -5.199 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.538 2.672 -4.869 1.00 0.00 C ATOM 1403 C PHE A 91 -11.634 2.930 -5.899 1.00 0.00 C ATOM 1404 O PHE A 91 -11.620 2.356 -6.987 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.583 3.865 -4.800 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.766 3.905 -3.537 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.167 2.755 -3.044 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.600 5.092 -2.843 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.420 2.790 -1.884 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.853 5.132 -1.681 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.262 3.980 -1.200 1.00 0.00 C ATOM 0 H PHE A 91 -8.974 1.610 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.006 2.540 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.911 3.833 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.159 4.787 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.287 1.822 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.059 5.996 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.959 1.887 -1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.731 6.064 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.678 4.009 -0.292 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.588 3.789 -5.551 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.690 4.105 -6.454 1.00 0.00 C ATOM 1423 C ASN A 92 -14.040 5.590 -6.415 1.00 0.00 C ATOM 1424 O ASN A 92 -15.195 5.968 -6.605 1.00 0.00 O ATOM 1425 CB ASN A 92 -14.922 3.272 -6.095 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.702 2.837 -7.320 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.508 3.597 -7.859 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.469 1.608 -7.766 1.00 0.00 N ATOM 0 H ASN A 92 -12.620 4.276 -4.655 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.368 3.861 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.611 2.391 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.572 3.853 -5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.966 1.260 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.793 1.012 -7.289 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.039 6.429 -6.171 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.252 7.871 -6.115 1.00 0.00 C ATOM 1437 C ASN A 93 -11.931 8.623 -6.241 1.00 0.00 C ATOM 1438 O ASN A 93 -10.867 8.083 -5.939 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.955 8.256 -4.810 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.189 9.104 -5.047 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.416 9.595 -6.153 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.993 9.281 -4.006 1.00 0.00 N ATOM 0 H ASN A 93 -12.075 6.137 -6.009 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.887 8.151 -6.955 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.237 7.351 -4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.259 8.802 -4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.839 9.843 -4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.765 8.855 -3.108 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.008 9.871 -6.692 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.820 10.699 -6.860 1.00 0.00 C ATOM 1451 C ARG A 94 -10.389 11.305 -5.529 1.00 0.00 C ATOM 1452 O ARG A 94 -9.198 11.375 -5.223 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.085 11.808 -7.878 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.192 12.764 -7.464 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.922 13.328 -8.672 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.541 12.279 -9.478 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.390 12.514 -10.475 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.724 13.758 -10.793 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.907 11.501 -11.158 1.00 0.00 N ATOM 0 H ARG A 94 -12.882 10.331 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.014 10.065 -7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.167 12.374 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.346 11.356 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.901 12.244 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.769 13.581 -6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.688 14.028 -8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.221 13.892 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.309 11.309 -9.264 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.329 14.541 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.375 13.931 -11.558 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.654 10.542 -10.919 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.558 11.681 -11.922 1.00 0.00 H new ATOM 1473 N THR A 95 -11.364 11.746 -4.742 1.00 0.00 N ATOM 1474 CA THR A 95 -11.103 12.345 -3.457 1.00 0.00 C ATOM 1475 C THR A 95 -10.599 11.310 -2.456 1.00 0.00 C ATOM 1476 O THR A 95 -9.668 11.571 -1.693 1.00 0.00 O ATOM 1477 CB THR A 95 -12.383 12.986 -2.954 1.00 0.00 C ATOM 1478 OG1 THR A 95 -13.315 13.150 -4.008 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.166 14.337 -2.326 1.00 0.00 C ATOM 0 H THR A 95 -12.353 11.694 -4.985 1.00 0.00 H new ATOM 0 HA THR A 95 -10.323 13.099 -3.565 1.00 0.00 H new ATOM 0 HB THR A 95 -12.764 12.304 -2.194 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.133 13.563 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.121 14.739 -1.988 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.492 14.239 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.727 15.013 -3.060 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.218 10.133 -2.463 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.829 9.063 -1.554 1.00 0.00 C ATOM 1489 C VAL A 96 -9.389 8.627 -1.804 1.00 0.00 C ATOM 1490 O VAL A 96 -8.637 8.371 -0.863 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.764 7.842 -1.685 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.685 7.245 -3.081 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.433 6.797 -0.630 1.00 0.00 C ATOM 0 H VAL A 96 -11.989 9.898 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.912 9.460 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.788 8.179 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.353 6.386 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.983 7.994 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.662 6.926 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.103 5.944 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.402 6.467 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.556 7.230 0.363 1.00 0.00 H new ATOM 1503 N MET A 97 -9.007 8.553 -3.074 1.00 0.00 N ATOM 1504 CA MET A 97 -7.653 8.157 -3.438 1.00 0.00 C ATOM 1505 C MET A 97 -6.664 9.252 -3.070 1.00 0.00 C ATOM 1506 O MET A 97 -5.533 8.982 -2.666 1.00 0.00 O ATOM 1507 CB MET A 97 -7.565 7.857 -4.934 1.00 0.00 C ATOM 1508 CG MET A 97 -7.895 9.048 -5.817 1.00 0.00 C ATOM 1509 SD MET A 97 -7.422 8.789 -7.538 1.00 0.00 S ATOM 1510 CE MET A 97 -5.714 9.325 -7.504 1.00 0.00 C ATOM 0 H MET A 97 -9.614 8.762 -3.866 1.00 0.00 H new ATOM 0 HA MET A 97 -7.401 7.252 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.558 7.511 -5.167 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.246 7.040 -5.172 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.965 9.249 -5.765 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.386 9.932 -5.433 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.313 9.326 -8.517 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.657 10.332 -7.090 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.131 8.644 -6.884 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.110 10.488 -3.213 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.285 11.646 -2.897 1.00 0.00 C ATOM 1522 C ASP A 98 -6.074 11.766 -1.391 1.00 0.00 C ATOM 1523 O ASP A 98 -5.052 12.278 -0.936 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.931 12.922 -3.438 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.448 13.268 -4.832 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.218 13.269 -5.052 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.300 13.539 -5.705 1.00 0.00 O ATOM 0 H ASP A 98 -8.045 10.718 -3.548 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.314 11.511 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.014 12.800 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.712 13.751 -2.764 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.050 11.291 -0.619 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.966 11.346 0.835 1.00 0.00 C ATOM 1534 C ASN A 99 -6.056 10.245 1.370 1.00 0.00 C ATOM 1535 O ASN A 99 -5.115 10.512 2.116 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.360 11.218 1.452 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.211 12.451 1.221 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -8.707 13.574 1.208 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.510 12.247 1.035 1.00 0.00 N ATOM 0 H ASN A 99 -7.905 10.865 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.540 12.310 1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.863 10.349 1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.265 11.041 2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.133 13.039 0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.885 11.299 1.054 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.344 9.007 0.983 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.554 7.864 1.423 1.00 0.00 C ATOM 1548 C ILE A 100 -4.107 7.981 0.954 1.00 0.00 C ATOM 1549 O ILE A 100 -3.174 7.817 1.741 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.145 6.538 0.901 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.617 6.413 1.307 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.342 5.352 1.419 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.820 6.155 2.784 1.00 0.00 C ATOM 0 H ILE A 100 -7.120 8.770 0.365 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.581 7.862 2.513 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.087 6.539 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.140 7.329 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.074 5.602 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.775 4.426 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.310 5.436 1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.366 5.344 2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.886 6.078 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.327 5.224 3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.394 6.977 3.359 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.928 8.257 -0.332 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.595 8.387 -0.911 1.00 0.00 C ATOM 1567 C LYS A 101 -1.797 9.493 -0.225 1.00 0.00 C ATOM 1568 O LYS A 101 -0.594 9.355 -0.003 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.695 8.674 -2.410 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.345 8.794 -3.099 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.907 10.245 -3.215 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.757 11.005 -4.219 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.953 11.987 -4.998 1.00 0.00 N ATOM 0 H LYS A 101 -4.690 8.395 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.072 7.443 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.267 7.878 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.252 9.599 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.598 8.231 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.401 8.349 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.977 10.726 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.139 10.287 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.229 10.299 -4.902 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.558 11.526 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.570 12.484 -5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.523 12.676 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.204 11.487 -5.519 1.00 0.00 H new ATOM 1587 N MET A 102 -2.468 10.591 0.104 1.00 0.00 N ATOM 1588 CA MET A 102 -1.812 11.719 0.756 1.00 0.00 C ATOM 1589 C MET A 102 -1.716 11.514 2.263 1.00 0.00 C ATOM 1590 O MET A 102 -0.836 12.073 2.919 1.00 0.00 O ATOM 1591 CB MET A 102 -2.564 13.018 0.454 1.00 0.00 C ATOM 1592 CG MET A 102 -2.426 13.479 -0.988 1.00 0.00 C ATOM 1593 SD MET A 102 -3.039 15.155 -1.243 1.00 0.00 S ATOM 1594 CE MET A 102 -4.517 14.833 -2.202 1.00 0.00 C ATOM 0 H MET A 102 -3.464 10.724 -0.070 1.00 0.00 H new ATOM 0 HA MET A 102 -0.799 11.787 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.621 12.878 0.683 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.196 13.803 1.115 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.377 13.431 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 102 -2.971 12.794 -1.638 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.690 15.659 -2.892 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.390 13.909 -2.767 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.371 14.735 -1.532 1.00 0.00 H new ATOM 1604 N THR A 103 -2.623 10.716 2.808 1.00 0.00 N ATOM 1605 CA THR A 103 -2.636 10.445 4.242 1.00 0.00 C ATOM 1606 C THR A 103 -1.684 9.309 4.596 1.00 0.00 C ATOM 1607 O THR A 103 -1.061 9.321 5.659 1.00 0.00 O ATOM 1608 CB THR A 103 -4.053 10.110 4.711 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.928 11.200 4.477 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.133 9.769 6.184 1.00 0.00 C ATOM 0 H THR A 103 -3.359 10.245 2.282 1.00 0.00 H new ATOM 0 HA THR A 103 -2.298 11.345 4.755 1.00 0.00 H new ATOM 0 HB THR A 103 -4.347 9.233 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.436 11.041 3.654 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.166 9.542 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.506 8.902 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.785 10.617 6.773 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.565 8.332 3.705 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.676 7.206 3.942 1.00 0.00 C ATOM 1620 C LEU A 104 0.761 7.691 4.041 1.00 0.00 C ATOM 1621 O LEU A 104 1.415 7.517 5.069 1.00 0.00 O ATOM 1622 CB LEU A 104 -0.815 6.164 2.826 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.617 4.916 3.203 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.942 5.301 3.843 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.850 4.042 1.979 1.00 0.00 C ATOM 0 H LEU A 104 -2.069 8.298 2.819 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.954 6.734 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.289 6.636 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.182 5.856 2.511 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.039 4.345 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.496 4.399 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.755 5.885 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.526 5.896 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.422 3.159 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.405 4.606 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.890 3.734 1.564 1.00 0.00 H new ATOM 1637 N GLN A 105 1.240 8.325 2.974 1.00 0.00 N ATOM 1638 CA GLN A 105 2.597 8.860 2.948 1.00 0.00 C ATOM 1639 C GLN A 105 2.847 9.736 4.172 1.00 0.00 C ATOM 1640 O GLN A 105 3.980 9.869 4.633 1.00 0.00 O ATOM 1641 CB GLN A 105 2.831 9.667 1.669 1.00 0.00 C ATOM 1642 CG GLN A 105 1.788 10.744 1.429 1.00 0.00 C ATOM 1643 CD GLN A 105 1.881 11.346 0.040 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.129 12.542 -0.116 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.682 10.517 -0.978 1.00 0.00 N ATOM 0 H GLN A 105 0.709 8.480 2.117 1.00 0.00 H new ATOM 0 HA GLN A 105 3.295 8.023 2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.816 10.132 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.841 8.987 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.794 10.320 1.572 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.908 11.533 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.479 9.533 -0.802 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.732 10.864 -1.936 1.00 0.00 H new ATOM 1654 N GLN A 106 1.775 10.319 4.700 1.00 0.00 N ATOM 1655 CA GLN A 106 1.874 11.167 5.881 1.00 0.00 C ATOM 1656 C GLN A 106 2.379 10.353 7.063 1.00 0.00 C ATOM 1657 O GLN A 106 3.139 10.843 7.897 1.00 0.00 O ATOM 1658 CB GLN A 106 0.518 11.798 6.206 1.00 0.00 C ATOM 1659 CG GLN A 106 0.494 13.307 6.029 1.00 0.00 C ATOM 1660 CD GLN A 106 -0.905 13.843 5.793 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -1.671 14.050 6.734 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -1.244 14.072 4.529 1.00 0.00 N ATOM 0 H GLN A 106 0.830 10.219 4.329 1.00 0.00 H new ATOM 0 HA GLN A 106 2.583 11.970 5.677 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.244 11.353 5.566 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.251 11.556 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.916 13.780 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 106 1.131 13.581 5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.577 13.886 3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -2.171 14.434 4.307 1.00 0.00 H new ATOM 1671 N ILE A 107 1.960 9.096 7.108 1.00 0.00 N ATOM 1672 CA ILE A 107 2.377 8.185 8.164 1.00 0.00 C ATOM 1673 C ILE A 107 3.756 7.620 7.842 1.00 0.00 C ATOM 1674 O ILE A 107 4.587 7.417 8.727 1.00 0.00 O ATOM 1675 CB ILE A 107 1.371 7.026 8.333 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.021 7.559 8.817 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.913 5.982 9.299 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.051 7.544 7.750 1.00 0.00 C ATOM 0 H ILE A 107 1.329 8.683 6.422 1.00 0.00 H new ATOM 0 HA ILE A 107 2.415 8.745 9.099 1.00 0.00 H new ATOM 0 HB ILE A 107 1.227 6.550 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.313 6.962 9.665 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.150 8.580 9.177 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.189 5.174 9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.851 5.582 8.914 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.088 6.442 10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.981 7.935 8.163 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.737 8.164 6.910 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.208 6.522 7.407 1.00 0.00 H new ATOM 1690 N ILE A 108 3.986 7.385 6.556 1.00 0.00 N ATOM 1691 CA ILE A 108 5.256 6.859 6.071 1.00 0.00 C ATOM 1692 C ILE A 108 6.416 7.721 6.549 1.00 0.00 C ATOM 1693 O ILE A 108 7.338 7.241 7.210 1.00 0.00 O ATOM 1694 CB ILE A 108 5.280 6.824 4.531 1.00 0.00 C ATOM 1695 CG1 ILE A 108 4.039 6.124 3.991 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.535 6.143 4.020 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.894 4.695 4.451 1.00 0.00 C ATOM 0 H ILE A 108 3.299 7.553 5.821 1.00 0.00 H new ATOM 0 HA ILE A 108 5.361 5.848 6.465 1.00 0.00 H new ATOM 0 HB ILE A 108 5.283 7.853 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.156 6.685 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.068 6.143 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.525 6.133 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.412 6.687 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.571 5.119 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.987 4.266 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.758 4.118 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.832 4.668 5.539 1.00 0.00 H new ATOM 1709 N SER A 109 6.358 8.999 6.199 1.00 0.00 N ATOM 1710 CA SER A 109 7.397 9.955 6.574 1.00 0.00 C ATOM 1711 C SER A 109 7.724 9.877 8.063 1.00 0.00 C ATOM 1712 O SER A 109 8.836 10.203 8.481 1.00 0.00 O ATOM 1713 CB SER A 109 6.963 11.377 6.211 1.00 0.00 C ATOM 1714 OG SER A 109 8.007 12.305 6.454 1.00 0.00 O ATOM 0 H SER A 109 5.597 9.402 5.652 1.00 0.00 H new ATOM 0 HA SER A 109 8.298 9.697 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.674 11.416 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.084 11.653 6.794 1.00 0.00 H new ATOM 0 HG SER A 109 7.706 13.206 6.213 1.00 0.00 H new ATOM 1720 N ARG A 110 6.755 9.444 8.857 1.00 0.00 N ATOM 1721 CA ARG A 110 6.946 9.325 10.300 1.00 0.00 C ATOM 1722 C ARG A 110 8.089 8.366 10.619 1.00 0.00 C ATOM 1723 O ARG A 110 8.756 8.501 11.645 1.00 0.00 O ATOM 1724 CB ARG A 110 5.660 8.842 10.974 1.00 0.00 C ATOM 1725 CG ARG A 110 4.427 9.638 10.583 1.00 0.00 C ATOM 1726 CD ARG A 110 3.209 9.218 11.392 1.00 0.00 C ATOM 1727 NE ARG A 110 3.371 9.504 12.817 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.932 8.665 13.687 1.00 0.00 C ATOM 1729 NH1 ARG A 110 4.397 7.488 13.285 1.00 0.00 N ATOM 1730 NH2 ARG A 110 4.031 9.008 14.964 1.00 0.00 N ATOM 0 H ARG A 110 5.829 9.169 8.529 1.00 0.00 H new ATOM 0 HA ARG A 110 7.200 10.312 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.500 7.794 10.721 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.786 8.893 12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.616 10.701 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.225 9.498 9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.328 9.738 11.016 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.033 8.151 11.254 1.00 0.00 H new ATOM 0 HE ARG A 110 3.034 10.401 13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.326 7.220 12.303 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.825 6.852 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.678 9.912 15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.460 8.368 15.632 1.00 0.00 H new ATOM 1744 N TYR A 111 8.307 7.397 9.736 1.00 0.00 N ATOM 1745 CA TYR A 111 9.366 6.413 9.925 1.00 0.00 C ATOM 1746 C TYR A 111 10.636 6.830 9.187 1.00 0.00 C ATOM 1747 O TYR A 111 11.745 6.494 9.602 1.00 0.00 O ATOM 1748 CB TYR A 111 8.909 5.036 9.437 1.00 0.00 C ATOM 1749 CG TYR A 111 7.445 4.755 9.692 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.957 4.628 10.987 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.551 4.616 8.638 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.620 4.372 11.224 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.212 4.361 8.866 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.752 4.240 10.160 1.00 0.00 C ATOM 1755 OH TYR A 111 3.420 3.985 10.393 1.00 0.00 O ATOM 0 H TYR A 111 7.764 7.272 8.882 1.00 0.00 H new ATOM 0 HA TYR A 111 9.587 6.358 10.991 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.104 4.956 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.508 4.269 9.928 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.634 4.731 11.822 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.908 4.709 7.623 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.257 4.276 12.236 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.530 4.257 8.035 1.00 0.00 H new ATOM 0 HH TYR A 111 3.116 4.510 11.162 1.00 0.00 H new ATOM 1765 N LYS A 112 10.464 7.561 8.090 1.00 0.00 N ATOM 1766 CA LYS A 112 11.596 8.023 7.293 1.00 0.00 C ATOM 1767 C LYS A 112 12.557 8.854 8.138 1.00 0.00 C ATOM 1768 O LYS A 112 13.742 8.538 8.241 1.00 0.00 O ATOM 1769 CB LYS A 112 11.104 8.846 6.102 1.00 0.00 C ATOM 1770 CG LYS A 112 12.158 9.048 5.026 1.00 0.00 C ATOM 1771 CD LYS A 112 11.544 9.043 3.636 1.00 0.00 C ATOM 1772 CE LYS A 112 11.509 7.642 3.047 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.995 6.641 4.022 1.00 0.00 N ATOM 0 H LYS A 112 9.552 7.846 7.733 1.00 0.00 H new ATOM 0 HA LYS A 112 12.131 7.147 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.238 8.352 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.768 9.820 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.674 9.994 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.907 8.259 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.532 9.444 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.117 9.700 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.879 7.638 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.512 7.357 2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.907 5.716 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.655 6.564 4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.063 6.943 4.371 1.00 0.00 H new ATOM 1787 N ASP A 113 12.038 9.918 8.742 1.00 0.00 N ATOM 1788 CA ASP A 113 12.849 10.796 9.577 1.00 0.00 C ATOM 1789 C ASP A 113 13.462 10.025 10.742 1.00 0.00 C ATOM 1790 O ASP A 113 14.555 10.348 11.207 1.00 0.00 O ATOM 1791 CB ASP A 113 12.004 11.956 10.106 1.00 0.00 C ATOM 1792 CG ASP A 113 12.827 12.962 10.888 1.00 0.00 C ATOM 1793 OD1 ASP A 113 13.795 13.507 10.317 1.00 0.00 O ATOM 1794 OD2 ASP A 113 12.504 13.203 12.069 1.00 0.00 O ATOM 0 H ASP A 113 11.059 10.193 8.669 1.00 0.00 H new ATOM 0 HA ASP A 113 13.657 11.195 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.519 12.459 9.270 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.212 11.564 10.744 1.00 0.00 H new ATOM 1799 N ALA A 114 12.749 9.005 11.210 1.00 0.00 N ATOM 1800 CA ALA A 114 13.223 8.188 12.321 1.00 0.00 C ATOM 1801 C ALA A 114 14.299 7.209 11.862 1.00 0.00 C ATOM 1802 O ALA A 114 15.288 6.986 12.560 1.00 0.00 O ATOM 1803 CB ALA A 114 12.062 7.439 12.957 1.00 0.00 C ATOM 0 H ALA A 114 11.842 8.725 10.837 1.00 0.00 H new ATOM 0 HA ALA A 114 13.665 8.851 13.065 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.430 6.833 13.785 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.328 8.154 13.329 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.595 6.793 12.214 1.00 0.00 H new ATOM 1809 N ASP A 115 14.100 6.627 10.684 1.00 0.00 N ATOM 1810 CA ASP A 115 15.052 5.672 10.132 1.00 0.00 C ATOM 1811 C ASP A 115 16.221 6.391 9.466 1.00 0.00 C ATOM 1812 O ASP A 115 17.174 5.704 9.041 1.00 0.00 O ATOM 1813 CB ASP A 115 14.360 4.754 9.122 1.00 0.00 C ATOM 1814 CG ASP A 115 14.892 3.335 9.171 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.125 3.165 9.263 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.073 2.393 9.118 1.00 0.00 O ATOM 0 H ASP A 115 13.287 6.801 10.093 1.00 0.00 H new ATOM 0 HA ASP A 115 15.440 5.069 10.953 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.288 4.744 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.496 5.155 8.118 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 5.397 -2.401 -16.695 1.00 0.00 N ATOM 1823 CA TYR B 90 4.020 -2.691 -17.171 1.00 0.00 C ATOM 1824 C TYR B 90 2.977 -2.211 -16.167 1.00 0.00 C ATOM 1825 O TYR B 90 1.969 -1.613 -16.541 1.00 0.00 O ATOM 1826 CB TYR B 90 3.888 -4.198 -17.390 1.00 0.00 C ATOM 1827 CG TYR B 90 4.873 -4.753 -18.396 1.00 0.00 C ATOM 1828 CD1 TYR B 90 6.176 -5.057 -18.024 1.00 0.00 C ATOM 1829 CD2 TYR B 90 4.498 -4.973 -19.715 1.00 0.00 C ATOM 1830 CE1 TYR B 90 7.079 -5.564 -18.939 1.00 0.00 C ATOM 1831 CE2 TYR B 90 5.394 -5.481 -20.637 1.00 0.00 C ATOM 1832 CZ TYR B 90 6.683 -5.774 -20.244 1.00 0.00 C ATOM 1833 OH TYR B 90 7.579 -6.280 -21.158 1.00 0.00 O ATOM 0 HA TYR B 90 3.845 -2.158 -18.106 1.00 0.00 H new ATOM 0 HB2 TYR B 90 4.028 -4.709 -16.437 1.00 0.00 H new ATOM 0 HB3 TYR B 90 2.875 -4.421 -17.725 1.00 0.00 H new ATOM 0 HD1 TYR B 90 6.489 -4.895 -17.003 1.00 0.00 H new ATOM 0 HD2 TYR B 90 3.489 -4.743 -20.026 1.00 0.00 H new ATOM 0 HE1 TYR B 90 8.089 -5.795 -18.634 1.00 0.00 H new ATOM 0 HE2 TYR B 90 5.086 -5.647 -21.659 1.00 0.00 H new ATOM 0 HH TYR B 90 7.141 -6.369 -22.030 1.00 0.00 H new ATOM 1843 N ASP B 91 3.226 -2.480 -14.889 1.00 0.00 N ATOM 1844 CA ASP B 91 2.309 -2.076 -13.831 1.00 0.00 C ATOM 1845 C ASP B 91 2.400 -0.575 -13.574 1.00 0.00 C ATOM 1846 O ASP B 91 1.415 0.061 -13.200 1.00 0.00 O ATOM 1847 CB ASP B 91 2.613 -2.844 -12.543 1.00 0.00 C ATOM 1848 CG ASP B 91 2.012 -4.237 -12.545 1.00 0.00 C ATOM 1849 OD1 ASP B 91 0.910 -4.406 -13.107 1.00 0.00 O ATOM 1850 OD2 ASP B 91 2.644 -5.157 -11.985 1.00 0.00 O ATOM 0 H ASP B 91 4.055 -2.976 -14.562 1.00 0.00 H new ATOM 0 HA ASP B 91 1.295 -2.310 -14.156 1.00 0.00 H new ATOM 0 HB2 ASP B 91 3.693 -2.917 -12.413 1.00 0.00 H new ATOM 0 HB3 ASP B 91 2.226 -2.286 -11.690 1.00 0.00 H new ATOM 1855 N SER B 92 3.589 -0.017 -13.777 1.00 0.00 N ATOM 1856 CA SER B 92 3.809 1.410 -13.568 1.00 0.00 C ATOM 1857 C SER B 92 3.017 2.239 -14.575 1.00 0.00 C ATOM 1858 O SER B 92 2.630 3.372 -14.292 1.00 0.00 O ATOM 1859 CB SER B 92 5.299 1.738 -13.680 1.00 0.00 C ATOM 1860 OG SER B 92 5.808 1.375 -14.952 1.00 0.00 O ATOM 0 H SER B 92 4.414 -0.530 -14.086 1.00 0.00 H new ATOM 0 HA SER B 92 3.461 1.662 -12.566 1.00 0.00 H new ATOM 0 HB2 SER B 92 5.453 2.804 -13.514 1.00 0.00 H new ATOM 0 HB3 SER B 92 5.850 1.211 -12.901 1.00 0.00 H new ATOM 0 HG SER B 92 6.761 1.597 -14.998 1.00 0.00 H new ATOM 1866 N GLU B 93 2.780 1.666 -15.751 1.00 0.00 N ATOM 1867 CA GLU B 93 2.035 2.354 -16.800 1.00 0.00 C ATOM 1868 C GLU B 93 0.642 2.744 -16.315 1.00 0.00 C ATOM 1869 O GLU B 93 0.148 3.829 -16.621 1.00 0.00 O ATOM 1870 CB GLU B 93 1.926 1.467 -18.042 1.00 0.00 C ATOM 1871 CG GLU B 93 3.259 1.209 -18.724 1.00 0.00 C ATOM 1872 CD GLU B 93 3.163 0.159 -19.814 1.00 0.00 C ATOM 1873 OE1 GLU B 93 2.643 -0.941 -19.533 1.00 0.00 O ATOM 1874 OE2 GLU B 93 3.607 0.438 -20.947 1.00 0.00 O ATOM 0 H GLU B 93 3.093 0.728 -16.001 1.00 0.00 H new ATOM 0 HA GLU B 93 2.577 3.264 -17.058 1.00 0.00 H new ATOM 0 HB2 GLU B 93 1.482 0.513 -17.759 1.00 0.00 H new ATOM 0 HB3 GLU B 93 1.247 1.936 -18.755 1.00 0.00 H new ATOM 0 HG2 GLU B 93 3.630 2.140 -19.153 1.00 0.00 H new ATOM 0 HG3 GLU B 93 3.988 0.889 -17.979 1.00 0.00 H new ATOM 1881 N GLU B 94 0.013 1.851 -15.558 1.00 0.00 N ATOM 1882 CA GLU B 94 -1.324 2.102 -15.031 1.00 0.00 C ATOM 1883 C GLU B 94 -1.260 2.529 -13.569 1.00 0.00 C ATOM 1884 O GLU B 94 -2.062 3.346 -13.115 1.00 0.00 O ATOM 1885 CB GLU B 94 -2.193 0.851 -15.172 1.00 0.00 C ATOM 1886 CG GLU B 94 -1.680 -0.340 -14.380 1.00 0.00 C ATOM 1887 CD GLU B 94 -1.850 -1.651 -15.121 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -2.740 -1.728 -15.994 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -1.094 -2.600 -14.829 1.00 0.00 O ATOM 0 H GLU B 94 0.407 0.948 -15.296 1.00 0.00 H new ATOM 0 HA GLU B 94 -1.770 2.912 -15.608 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -3.206 1.084 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -2.253 0.577 -16.225 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -0.625 -0.191 -14.150 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -2.209 -0.394 -13.429 1.00 0.00 H new ATOM 1896 N PHE B 95 -0.302 1.972 -12.835 1.00 0.00 N ATOM 1897 CA PHE B 95 -0.133 2.295 -11.424 1.00 0.00 C ATOM 1898 C PHE B 95 0.983 3.318 -11.231 1.00 0.00 C ATOM 1899 O PHE B 95 2.027 3.240 -11.879 1.00 0.00 O ATOM 1900 CB PHE B 95 0.170 1.026 -10.624 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.864 0.711 -9.582 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.904 1.417 -8.390 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.798 -0.292 -9.795 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.855 1.129 -7.431 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.751 -0.584 -8.838 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.780 0.128 -7.655 1.00 0.00 C ATOM 0 H PHE B 95 0.370 1.294 -13.195 1.00 0.00 H new ATOM 0 HA PHE B 95 -1.063 2.730 -11.059 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.250 0.184 -11.311 1.00 0.00 H new ATOM 0 HB3 PHE B 95 1.140 1.135 -10.140 1.00 0.00 H new ATOM 0 HD1 PHE B 95 -0.184 2.201 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -1.780 -0.851 -10.719 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.875 1.686 -6.506 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.472 -1.368 -9.015 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.525 -0.098 -6.906 1.00 0.00 H new ATOM 1916 N GLU B 96 0.754 4.276 -10.338 1.00 0.00 N ATOM 1917 CA GLU B 96 1.741 5.315 -10.063 1.00 0.00 C ATOM 1918 C GLU B 96 2.619 4.934 -8.876 1.00 0.00 C ATOM 1919 O GLU B 96 2.277 4.045 -8.097 1.00 0.00 O ATOM 1920 CB GLU B 96 1.044 6.650 -9.789 1.00 0.00 C ATOM 1921 CG GLU B 96 1.746 7.842 -10.417 1.00 0.00 C ATOM 1922 CD GLU B 96 1.217 9.167 -9.902 1.00 0.00 C ATOM 1923 OE1 GLU B 96 0.709 9.201 -8.762 1.00 0.00 O ATOM 1924 OE2 GLU B 96 1.312 10.171 -10.639 1.00 0.00 O ATOM 0 H GLU B 96 -0.105 4.355 -9.793 1.00 0.00 H new ATOM 0 HA GLU B 96 2.377 5.418 -10.942 1.00 0.00 H new ATOM 0 HB2 GLU B 96 0.022 6.601 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU B 96 0.980 6.803 -8.712 1.00 0.00 H new ATOM 0 HG2 GLU B 96 2.815 7.778 -10.214 1.00 0.00 H new ATOM 0 HG3 GLU B 96 1.624 7.802 -11.499 1.00 0.00 H new ATOM 1931 N ASP B 97 3.754 5.614 -8.745 1.00 0.00 N ATOM 1932 CA ASP B 97 4.684 5.349 -7.654 1.00 0.00 C ATOM 1933 C ASP B 97 4.457 6.316 -6.496 1.00 0.00 C ATOM 1934 O ASP B 97 3.833 7.364 -6.663 1.00 0.00 O ATOM 1935 CB ASP B 97 6.128 5.459 -8.149 1.00 0.00 C ATOM 1936 CG ASP B 97 6.389 6.759 -8.884 1.00 0.00 C ATOM 1937 OD1 ASP B 97 5.863 7.804 -8.447 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.121 6.732 -9.896 1.00 0.00 O ATOM 0 H ASP B 97 4.051 6.353 -9.382 1.00 0.00 H new ATOM 0 HA ASP B 97 4.505 4.335 -7.297 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.807 5.382 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.348 4.621 -8.810 1.00 0.00 H new ATOM 1943 N VAL B 98 4.968 5.955 -5.324 1.00 0.00 N ATOM 1944 CA VAL B 98 4.823 6.790 -4.136 1.00 0.00 C ATOM 1945 C VAL B 98 6.145 6.894 -3.381 1.00 0.00 C ATOM 1946 O VAL B 98 7.066 6.112 -3.616 1.00 0.00 O ATOM 1947 CB VAL B 98 3.741 6.237 -3.185 1.00 0.00 C ATOM 1948 CG1 VAL B 98 3.329 7.291 -2.170 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.533 5.749 -3.973 1.00 0.00 C ATOM 0 H VAL B 98 5.486 5.090 -5.171 1.00 0.00 H new ATOM 0 HA VAL B 98 4.519 7.780 -4.477 1.00 0.00 H new ATOM 0 HB VAL B 98 4.162 5.389 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL B 98 2.565 6.881 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL B 98 4.197 7.588 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.929 8.161 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.781 5.363 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.112 6.577 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.840 4.957 -4.656 1.00 0.00 H new ATOM 1959 N THR B 99 6.234 7.866 -2.476 1.00 0.00 N ATOM 1960 CA THR B 99 7.446 8.074 -1.687 1.00 0.00 C ATOM 1961 C THR B 99 7.965 6.759 -1.110 1.00 0.00 C ATOM 1962 O THR B 99 7.331 6.156 -0.243 1.00 0.00 O ATOM 1963 CB THR B 99 7.175 9.066 -0.555 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.369 9.365 0.147 1.00 0.00 O ATOM 1965 CG2 THR B 99 6.164 8.562 0.453 1.00 0.00 C ATOM 0 H THR B 99 5.481 8.522 -2.271 1.00 0.00 H new ATOM 0 HA THR B 99 8.210 8.481 -2.349 1.00 0.00 H new ATOM 0 HB THR B 99 6.769 9.954 -1.040 1.00 0.00 H new ATOM 0 HG1 THR B 99 8.175 10.002 0.866 1.00 0.00 H new ATOM 0 HG21 THR B 99 6.018 9.314 1.229 1.00 0.00 H new ATOM 0 HG22 THR B 99 5.216 8.369 -0.048 1.00 0.00 H new ATOM 0 HG23 THR B 99 6.530 7.640 0.905 1.00 0.00 H new ATOM 1973 N ASP B 100 9.120 6.321 -1.599 1.00 0.00 N ATOM 1974 CA ASP B 100 9.726 5.078 -1.134 1.00 0.00 C ATOM 1975 C ASP B 100 11.215 5.264 -0.869 1.00 0.00 C ATOM 1976 O ASP B 100 11.724 4.871 0.181 1.00 0.00 O ATOM 1977 CB ASP B 100 9.514 3.968 -2.165 1.00 0.00 C ATOM 1978 CG ASP B 100 8.051 3.767 -2.509 1.00 0.00 C ATOM 1979 OD1 ASP B 100 7.192 4.120 -1.673 1.00 0.00 O ATOM 1980 OD2 ASP B 100 7.764 3.258 -3.612 1.00 0.00 O ATOM 0 H ASP B 100 9.656 6.808 -2.317 1.00 0.00 H new ATOM 0 HA ASP B 100 9.243 4.794 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP B 100 10.068 4.209 -3.073 1.00 0.00 H new ATOM 0 HB3 ASP B 100 9.925 3.035 -1.779 1.00 0.00 H new ATOM 1985 N GLY B 101 11.911 5.866 -1.828 1.00 0.00 N ATOM 1986 CA GLY B 101 13.336 6.095 -1.679 1.00 0.00 C ATOM 1987 C GLY B 101 14.009 6.441 -2.993 1.00 0.00 C ATOM 1988 O GLY B 101 15.003 7.165 -3.016 1.00 0.00 O ATOM 0 H GLY B 101 11.513 6.199 -2.706 1.00 0.00 H new ATOM 0 HA2 GLY B 101 13.498 6.904 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY B 101 13.802 5.203 -1.259 1.00 0.00 H new ATOM 1992 N ASN B 102 13.464 5.924 -4.089 1.00 0.00 N ATOM 1993 CA ASN B 102 14.016 6.182 -5.413 1.00 0.00 C ATOM 1994 C ASN B 102 15.448 5.666 -5.516 1.00 0.00 C ATOM 1995 O ASN B 102 16.132 5.497 -4.505 1.00 0.00 O ATOM 1996 CB ASN B 102 13.978 7.679 -5.722 1.00 0.00 C ATOM 1997 CG ASN B 102 13.659 7.962 -7.177 1.00 0.00 C ATOM 1998 OD1 ASN B 102 12.615 7.555 -7.687 1.00 0.00 O ATOM 1999 ND2 ASN B 102 14.562 8.662 -7.856 1.00 0.00 N ATOM 0 H ASN B 102 12.640 5.323 -4.086 1.00 0.00 H new ATOM 0 HA ASN B 102 13.404 5.652 -6.143 1.00 0.00 H new ATOM 0 HB2 ASN B 102 13.231 8.159 -5.089 1.00 0.00 H new ATOM 0 HB3 ASN B 102 14.941 8.123 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN B 102 14.403 8.881 -8.839 1.00 0.00 H new ATOM 0 HD22 ASN B 102 15.414 8.980 -7.394 1.00 0.00 H new ATOM 2006 N GLU B 103 15.897 5.421 -6.742 1.00 0.00 N ATOM 2007 CA GLU B 103 17.248 4.925 -6.977 1.00 0.00 C ATOM 2008 C GLU B 103 17.603 4.996 -8.458 1.00 0.00 C ATOM 2009 O GLU B 103 18.683 5.460 -8.827 1.00 0.00 O ATOM 2010 CB GLU B 103 17.379 3.484 -6.478 1.00 0.00 C ATOM 2011 CG GLU B 103 18.810 3.079 -6.163 1.00 0.00 C ATOM 2012 CD GLU B 103 19.049 1.592 -6.349 1.00 0.00 C ATOM 2013 OE1 GLU B 103 18.920 1.109 -7.493 1.00 0.00 O ATOM 2014 OE2 GLU B 103 19.365 0.913 -5.351 1.00 0.00 O ATOM 0 H GLU B 103 15.345 5.558 -7.589 1.00 0.00 H new ATOM 0 HA GLU B 103 17.942 5.558 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU B 103 16.770 3.361 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU B 103 16.976 2.809 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU B 103 19.491 3.636 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU B 103 19.044 3.355 -5.135 1.00 0.00 H new ATOM 2021 N VAL B 104 16.689 4.533 -9.304 1.00 0.00 N ATOM 2022 CA VAL B 104 16.906 4.544 -10.746 1.00 0.00 C ATOM 2023 C VAL B 104 18.136 3.726 -11.123 1.00 0.00 C ATOM 2024 O VAL B 104 19.252 4.286 -11.085 1.00 0.00 O ATOM 2025 CB VAL B 104 17.075 5.979 -11.278 1.00 0.00 C ATOM 2026 CG1 VAL B 104 17.099 5.988 -12.797 1.00 0.00 C ATOM 2027 CG2 VAL B 104 15.968 6.879 -10.749 1.00 0.00 C ATOM 0 H VAL B 104 15.791 4.145 -9.016 1.00 0.00 H new ATOM 0 HA VAL B 104 16.022 4.098 -11.202 1.00 0.00 H new ATOM 0 HB VAL B 104 18.029 6.368 -10.922 1.00 0.00 H new ATOM 0 HG11 VAL B 104 17.219 7.011 -13.153 1.00 0.00 H new ATOM 0 HG12 VAL B 104 17.932 5.380 -13.151 1.00 0.00 H new ATOM 0 HG13 VAL B 104 16.163 5.579 -13.178 1.00 0.00 H new ATOM 0 HG21 VAL B 104 16.104 7.889 -11.136 1.00 0.00 H new ATOM 0 HG22 VAL B 104 15.001 6.494 -11.072 1.00 0.00 H new ATOM 0 HG23 VAL B 104 16.005 6.899 -9.660 1.00 0.00 H new TER 2037 VAL B 104