USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 835 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 72 ASN : amide:sc= 0.931 K(o=2.2,f=-9.4!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -173:sc= 1.23 (180deg=-0.00917) USER MOD Single : A 1 ALA N :NH3+ -135:sc= 0.0813 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.223 USER MOD Single : A 8 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.12) USER MOD Single : A 11 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ 156:sc= 0.962 (180deg=0.631) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= 0.949 K(o=0.95,f=-3.3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 47 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= 0.0244 F(o=-0.56,f=0.024) USER MOD Single : A 58 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0058) USER MOD Single : A 62 HIS : no HE2:sc= -0.799 K(o=-0.78,f=-4.5!) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.427 USER MOD Single : A 64 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.55) USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000602) USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.29 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0784 USER MOD Single : A 71 ASN : amide:sc= -0.0903 K(o=-0.09,f=-0.94) USER MOD Single : A 96 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.512) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 1.33 (180deg=1.18) USER MOD Single : A 105 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.13) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.0026) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.099 -9.950 -3.569 1.00 0.00 N ATOM 2 CA ALA A 1 11.103 -8.544 -3.987 1.00 0.00 C ATOM 3 C ALA A 1 9.820 -8.230 -4.769 1.00 0.00 C ATOM 4 O ALA A 1 8.838 -8.976 -4.710 1.00 0.00 O ATOM 5 CB ALA A 1 12.376 -8.243 -4.791 1.00 0.00 C ATOM 0 H1 ALA A 1 11.398 -10.018 -2.575 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.140 -10.339 -3.670 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.757 -10.491 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 1 11.114 -7.892 -3.113 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.373 -7.197 -5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.252 -8.437 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.408 -8.881 -5.674 1.00 0.00 H new ATOM 11 N LEU A 2 9.824 -7.105 -5.494 1.00 0.00 N ATOM 12 CA LEU A 2 8.738 -6.591 -6.326 1.00 0.00 C ATOM 13 C LEU A 2 8.292 -7.679 -7.321 1.00 0.00 C ATOM 14 O LEU A 2 8.843 -7.803 -8.412 1.00 0.00 O ATOM 15 CB LEU A 2 9.237 -5.306 -7.017 1.00 0.00 C ATOM 16 CG LEU A 2 9.805 -4.243 -6.047 1.00 0.00 C ATOM 17 CD1 LEU A 2 10.480 -3.117 -6.824 1.00 0.00 C ATOM 18 CD2 LEU A 2 8.722 -3.648 -5.148 1.00 0.00 C ATOM 0 H LEU A 2 10.640 -6.493 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 2 7.860 -6.337 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 2 10.009 -5.572 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 2 8.413 -4.866 -7.579 1.00 0.00 H new ATOM 0 HG LEU A 2 10.535 -4.750 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.874 -2.378 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.297 -3.525 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.753 -2.642 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.167 -2.907 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.959 -3.172 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.266 -4.440 -4.554 1.00 0.00 H new ATOM 30 N THR A 3 7.210 -8.392 -7.012 1.00 0.00 N ATOM 31 CA THR A 3 6.668 -9.503 -7.794 1.00 0.00 C ATOM 32 C THR A 3 5.275 -9.322 -8.396 1.00 0.00 C ATOM 33 O THR A 3 4.963 -9.952 -9.407 1.00 0.00 O ATOM 34 CB THR A 3 6.780 -10.726 -6.845 1.00 0.00 C ATOM 35 OG1 THR A 3 8.056 -11.304 -7.017 1.00 0.00 O ATOM 36 CG2 THR A 3 5.712 -11.816 -6.982 1.00 0.00 C ATOM 0 H THR A 3 6.663 -8.203 -6.172 1.00 0.00 H new ATOM 0 HA THR A 3 7.242 -9.613 -8.714 1.00 0.00 H new ATOM 0 HB THR A 3 6.616 -10.322 -5.846 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.147 -12.079 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.908 -12.610 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.728 -11.388 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.739 -12.227 -7.991 1.00 0.00 H new ATOM 44 N THR A 4 4.485 -8.400 -7.867 1.00 0.00 N ATOM 45 CA THR A 4 3.131 -8.125 -8.297 1.00 0.00 C ATOM 46 C THR A 4 2.269 -9.383 -8.057 1.00 0.00 C ATOM 47 O THR A 4 2.091 -10.216 -8.952 1.00 0.00 O ATOM 48 CB THR A 4 3.120 -7.590 -9.740 1.00 0.00 C ATOM 49 OG1 THR A 4 4.228 -6.741 -10.010 1.00 0.00 O ATOM 50 CG2 THR A 4 1.853 -6.786 -9.971 1.00 0.00 C ATOM 0 H THR A 4 4.785 -7.802 -7.097 1.00 0.00 H new ATOM 0 HA THR A 4 2.681 -7.326 -7.708 1.00 0.00 H new ATOM 0 HB THR A 4 3.173 -8.455 -10.401 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.181 -6.427 -10.937 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.844 -6.407 -10.993 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.983 -7.424 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.821 -5.949 -9.273 1.00 0.00 H new ATOM 58 N ILE A 5 1.844 -9.596 -6.805 1.00 0.00 N ATOM 59 CA ILE A 5 1.021 -10.754 -6.434 1.00 0.00 C ATOM 60 C ILE A 5 -0.407 -10.580 -6.966 1.00 0.00 C ATOM 61 O ILE A 5 -0.701 -9.592 -7.647 1.00 0.00 O ATOM 62 CB ILE A 5 1.073 -11.057 -4.914 1.00 0.00 C ATOM 63 CG1 ILE A 5 0.198 -10.174 -3.999 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.521 -11.093 -4.400 1.00 0.00 C ATOM 65 CD1 ILE A 5 0.375 -8.666 -4.155 1.00 0.00 C ATOM 0 H ILE A 5 2.059 -8.975 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 5 1.443 -11.639 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 5 0.619 -12.045 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.848 -10.418 -4.185 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.408 -10.439 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.523 -11.308 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.075 -11.870 -4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.994 -10.127 -4.577 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.289 -8.148 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.408 -8.396 -3.936 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.133 -8.375 -5.177 1.00 0.00 H new ATOM 77 N SER A 6 -1.279 -11.560 -6.723 1.00 0.00 N ATOM 78 CA SER A 6 -2.659 -11.477 -7.170 1.00 0.00 C ATOM 79 C SER A 6 -3.342 -10.307 -6.442 1.00 0.00 C ATOM 80 O SER A 6 -2.886 -9.904 -5.365 1.00 0.00 O ATOM 81 CB SER A 6 -3.349 -12.819 -6.884 1.00 0.00 C ATOM 82 OG SER A 6 -3.688 -12.935 -5.518 1.00 0.00 O ATOM 0 H SER A 6 -1.049 -12.417 -6.219 1.00 0.00 H new ATOM 0 HA SER A 6 -2.722 -11.288 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.248 -12.906 -7.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.690 -13.639 -7.169 1.00 0.00 H new ATOM 0 HG SER A 6 -4.127 -13.797 -5.362 1.00 0.00 H new ATOM 88 N PRO A 7 -4.483 -9.799 -6.929 1.00 0.00 N ATOM 89 CA PRO A 7 -5.154 -8.703 -6.255 1.00 0.00 C ATOM 90 C PRO A 7 -5.638 -9.058 -4.834 1.00 0.00 C ATOM 91 O PRO A 7 -6.028 -8.135 -4.117 1.00 0.00 O ATOM 92 CB PRO A 7 -6.295 -8.273 -7.185 1.00 0.00 C ATOM 93 CG PRO A 7 -6.545 -9.501 -8.058 1.00 0.00 C ATOM 94 CD PRO A 7 -5.160 -10.135 -8.171 1.00 0.00 C ATOM 0 HA PRO A 7 -4.460 -7.881 -6.080 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.186 -7.996 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.016 -7.407 -7.785 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.263 -10.181 -7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -6.943 -9.227 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.231 -11.215 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.618 -9.745 -9.033 1.00 0.00 H new ATOM 102 N HIS A 8 -5.611 -10.326 -4.393 1.00 0.00 N ATOM 103 CA HIS A 8 -6.069 -10.758 -3.071 1.00 0.00 C ATOM 104 C HIS A 8 -4.975 -11.367 -2.184 1.00 0.00 C ATOM 105 O HIS A 8 -5.146 -11.386 -0.965 1.00 0.00 O ATOM 106 CB HIS A 8 -7.217 -11.760 -3.257 1.00 0.00 C ATOM 107 CG HIS A 8 -8.287 -11.675 -2.199 1.00 0.00 C ATOM 108 ND1 HIS A 8 -9.192 -10.649 -2.059 1.00 0.00 N ATOM 109 CD2 HIS A 8 -8.644 -12.661 -1.322 1.00 0.00 C ATOM 110 CE1 HIS A 8 -10.098 -11.018 -1.141 1.00 0.00 C ATOM 111 NE2 HIS A 8 -9.811 -12.244 -0.669 1.00 0.00 N ATOM 0 H HIS A 8 -5.260 -11.095 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.398 -9.864 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -7.673 -11.596 -4.233 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.806 -12.770 -3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -8.121 -13.592 -1.162 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -10.938 -10.416 -0.826 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.340 -12.768 0.028 1.00 0.00 H new ATOM 119 N ASP A 9 -3.843 -11.825 -2.733 1.00 0.00 N ATOM 120 CA ASP A 9 -2.754 -12.426 -1.933 1.00 0.00 C ATOM 121 C ASP A 9 -2.190 -11.422 -0.928 1.00 0.00 C ATOM 122 O ASP A 9 -1.672 -11.790 0.125 1.00 0.00 O ATOM 123 CB ASP A 9 -1.588 -12.902 -2.819 1.00 0.00 C ATOM 124 CG ASP A 9 -1.306 -14.392 -2.682 1.00 0.00 C ATOM 125 OD1 ASP A 9 -0.161 -14.768 -2.338 1.00 0.00 O ATOM 126 OD2 ASP A 9 -2.189 -15.198 -3.055 1.00 0.00 O ATOM 0 H ASP A 9 -3.651 -11.793 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.194 -13.278 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.815 -12.675 -3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.689 -12.342 -2.559 1.00 0.00 H new ATOM 131 N ALA A 10 -2.292 -10.138 -1.281 1.00 0.00 N ATOM 132 CA ALA A 10 -1.838 -9.007 -0.501 1.00 0.00 C ATOM 133 C ALA A 10 -2.396 -9.073 0.922 1.00 0.00 C ATOM 134 O ALA A 10 -1.637 -9.076 1.892 1.00 0.00 O ATOM 135 CB ALA A 10 -2.295 -7.732 -1.220 1.00 0.00 C ATOM 0 H ALA A 10 -2.716 -9.856 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.751 -9.014 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.968 -6.859 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.861 -7.702 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.382 -7.727 -1.297 1.00 0.00 H new ATOM 141 N GLN A 11 -3.728 -9.136 1.028 1.00 0.00 N ATOM 142 CA GLN A 11 -4.470 -9.191 2.271 1.00 0.00 C ATOM 143 C GLN A 11 -3.976 -10.312 3.164 1.00 0.00 C ATOM 144 O GLN A 11 -3.711 -10.103 4.344 1.00 0.00 O ATOM 145 CB GLN A 11 -5.946 -9.385 1.933 1.00 0.00 C ATOM 146 CG GLN A 11 -6.844 -9.025 3.125 1.00 0.00 C ATOM 147 CD GLN A 11 -7.436 -10.219 3.888 1.00 0.00 C ATOM 148 OE1 GLN A 11 -7.200 -11.389 3.589 1.00 0.00 O ATOM 149 NE2 GLN A 11 -8.250 -9.965 4.898 1.00 0.00 N ATOM 0 H GLN A 11 -4.335 -9.150 0.208 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.325 -8.261 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.209 -8.765 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.122 -10.421 1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.266 -8.420 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.664 -8.403 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.455 -9.000 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.673 -10.734 5.418 1.00 0.00 H new ATOM 158 N GLU A 12 -3.831 -11.496 2.582 1.00 0.00 N ATOM 159 CA GLU A 12 -3.373 -12.665 3.301 1.00 0.00 C ATOM 160 C GLU A 12 -1.997 -12.446 3.910 1.00 0.00 C ATOM 161 O GLU A 12 -1.767 -12.906 5.023 1.00 0.00 O ATOM 162 CB GLU A 12 -3.353 -13.879 2.366 1.00 0.00 C ATOM 163 CG GLU A 12 -3.469 -15.146 3.213 1.00 0.00 C ATOM 164 CD GLU A 12 -3.343 -16.446 2.433 1.00 0.00 C ATOM 165 OE1 GLU A 12 -2.480 -16.548 1.532 1.00 0.00 O ATOM 166 OE2 GLU A 12 -3.953 -17.445 2.872 1.00 0.00 O ATOM 0 H GLU A 12 -4.030 -11.667 1.596 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.069 -12.850 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.177 -13.822 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.431 -13.895 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.698 -15.124 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.431 -15.137 3.725 1.00 0.00 H new ATOM 173 N LEU A 13 -1.071 -11.780 3.217 1.00 0.00 N ATOM 174 CA LEU A 13 0.266 -11.578 3.755 1.00 0.00 C ATOM 175 C LEU A 13 0.191 -10.639 4.938 1.00 0.00 C ATOM 176 O LEU A 13 0.809 -10.903 5.968 1.00 0.00 O ATOM 177 CB LEU A 13 1.208 -11.069 2.659 1.00 0.00 C ATOM 178 CG LEU A 13 1.580 -12.203 1.684 1.00 0.00 C ATOM 179 CD1 LEU A 13 2.058 -11.607 0.363 1.00 0.00 C ATOM 180 CD2 LEU A 13 2.674 -13.105 2.262 1.00 0.00 C ATOM 0 H LEU A 13 -1.224 -11.377 2.293 1.00 0.00 H new ATOM 0 HA LEU A 13 0.677 -12.524 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.731 -10.256 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.112 -10.661 3.111 1.00 0.00 H new ATOM 0 HG LEU A 13 0.690 -12.811 1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.321 -12.411 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.263 -11.002 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.933 -10.982 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.911 -13.893 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.568 -12.513 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.323 -13.552 3.192 1.00 0.00 H new ATOM 192 N ILE A 14 -0.580 -9.563 4.806 1.00 0.00 N ATOM 193 CA ILE A 14 -0.763 -8.577 5.858 1.00 0.00 C ATOM 194 C ILE A 14 -1.379 -9.272 7.062 1.00 0.00 C ATOM 195 O ILE A 14 -0.913 -9.076 8.185 1.00 0.00 O ATOM 196 CB ILE A 14 -1.601 -7.414 5.323 1.00 0.00 C ATOM 197 CG1 ILE A 14 -0.836 -6.660 4.227 1.00 0.00 C ATOM 198 CG2 ILE A 14 -1.925 -6.389 6.399 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.802 -6.052 3.221 1.00 0.00 C ATOM 0 H ILE A 14 -1.100 -9.352 3.954 1.00 0.00 H new ATOM 0 HA ILE A 14 0.185 -8.147 6.181 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.520 -7.861 4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.227 -5.875 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.154 -7.341 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.521 -5.585 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.488 -6.868 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.999 -5.979 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.240 -5.522 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.392 -6.844 2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.467 -5.355 3.731 1.00 0.00 H new ATOM 211 N ALA A 15 -2.380 -10.124 6.840 1.00 0.00 N ATOM 212 CA ALA A 15 -3.030 -10.858 7.902 1.00 0.00 C ATOM 213 C ALA A 15 -1.998 -11.708 8.637 1.00 0.00 C ATOM 214 O ALA A 15 -1.994 -11.707 9.873 1.00 0.00 O ATOM 215 CB ALA A 15 -4.176 -11.704 7.342 1.00 0.00 C ATOM 0 H ALA A 15 -2.757 -10.318 5.912 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.467 -10.162 8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.655 -12.251 8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.907 -11.054 6.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.783 -12.411 6.611 1.00 0.00 H new ATOM 221 N ARG A 16 -1.122 -12.420 7.911 1.00 0.00 N ATOM 222 CA ARG A 16 -0.103 -13.253 8.546 1.00 0.00 C ATOM 223 C ARG A 16 0.812 -12.360 9.376 1.00 0.00 C ATOM 224 O ARG A 16 1.103 -12.708 10.520 1.00 0.00 O ATOM 225 CB ARG A 16 0.677 -14.107 7.533 1.00 0.00 C ATOM 226 CG ARG A 16 -0.187 -15.129 6.782 1.00 0.00 C ATOM 227 CD ARG A 16 0.724 -15.876 5.811 1.00 0.00 C ATOM 228 NE ARG A 16 0.060 -17.044 5.217 1.00 0.00 N ATOM 229 CZ ARG A 16 -0.439 -17.114 3.978 1.00 0.00 C ATOM 230 NH1 ARG A 16 -0.270 -16.126 3.102 1.00 0.00 N ATOM 231 NH2 ARG A 16 -1.137 -18.173 3.599 1.00 0.00 N ATOM 0 H ARG A 16 -1.103 -12.432 6.891 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.594 -13.971 9.203 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.154 -13.447 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.474 -14.635 8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.654 -15.823 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.992 -14.629 6.244 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.042 -15.198 5.019 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.624 -16.199 6.334 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.028 -17.875 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.250 -15.291 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.661 -16.204 2.163 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.296 -18.940 4.253 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.516 -18.222 2.653 1.00 0.00 H new ATOM 245 N GLY A 17 1.204 -11.200 8.844 1.00 0.00 N ATOM 246 CA GLY A 17 2.056 -10.261 9.554 1.00 0.00 C ATOM 247 C GLY A 17 2.581 -9.085 8.729 1.00 0.00 C ATOM 248 O GLY A 17 3.112 -8.156 9.337 1.00 0.00 O ATOM 0 H GLY A 17 0.937 -10.891 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.500 -9.865 10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.909 -10.807 9.958 1.00 0.00 H new ATOM 252 N ALA A 18 2.421 -9.065 7.401 1.00 0.00 N ATOM 253 CA ALA A 18 2.925 -7.977 6.552 1.00 0.00 C ATOM 254 C ALA A 18 2.249 -6.609 6.800 1.00 0.00 C ATOM 255 O ALA A 18 1.341 -6.478 7.629 1.00 0.00 O ATOM 256 CB ALA A 18 2.850 -8.396 5.073 1.00 0.00 C ATOM 0 H ALA A 18 1.939 -9.801 6.884 1.00 0.00 H new ATOM 0 HA ALA A 18 3.966 -7.816 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.225 -7.587 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.457 -9.287 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.815 -8.611 4.808 1.00 0.00 H new ATOM 262 N LYS A 19 2.672 -5.572 6.064 1.00 0.00 N ATOM 263 CA LYS A 19 2.162 -4.192 6.132 1.00 0.00 C ATOM 264 C LYS A 19 1.757 -3.683 4.745 1.00 0.00 C ATOM 265 O LYS A 19 2.092 -4.295 3.734 1.00 0.00 O ATOM 266 CB LYS A 19 3.218 -3.257 6.772 1.00 0.00 C ATOM 267 CG LYS A 19 2.900 -2.838 8.216 1.00 0.00 C ATOM 268 CD LYS A 19 1.632 -1.968 8.345 1.00 0.00 C ATOM 269 CE LYS A 19 1.017 -2.129 9.740 1.00 0.00 C ATOM 270 NZ LYS A 19 -0.320 -1.507 9.841 1.00 0.00 N ATOM 0 H LYS A 19 3.414 -5.676 5.372 1.00 0.00 H new ATOM 0 HA LYS A 19 1.271 -4.191 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.186 -3.757 6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.312 -2.361 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.779 -3.733 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.750 -2.288 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.881 -0.922 8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.906 -2.256 7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.941 -3.189 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.680 -1.681 10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.857 -1.961 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.216 -0.492 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.829 -1.629 8.942 1.00 0.00 H new ATOM 284 N LEU A 20 1.081 -2.532 4.687 1.00 0.00 N ATOM 285 CA LEU A 20 0.601 -1.887 3.464 1.00 0.00 C ATOM 286 C LEU A 20 0.990 -0.416 3.532 1.00 0.00 C ATOM 287 O LEU A 20 0.683 0.234 4.533 1.00 0.00 O ATOM 288 CB LEU A 20 -0.924 -2.022 3.399 1.00 0.00 C ATOM 289 CG LEU A 20 -1.518 -2.099 1.984 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.016 -2.373 2.145 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.323 -0.811 1.173 1.00 0.00 C ATOM 0 H LEU A 20 0.844 -2.003 5.526 1.00 0.00 H new ATOM 0 HA LEU A 20 1.036 -2.349 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.216 -2.918 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.370 -1.172 3.916 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.003 -2.886 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.482 -2.436 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.159 -3.315 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.475 -1.564 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.765 -0.933 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.807 0.019 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.258 -0.603 1.071 1.00 0.00 H new ATOM 303 N ILE A 21 1.654 0.105 2.502 1.00 0.00 N ATOM 304 CA ILE A 21 2.115 1.483 2.419 1.00 0.00 C ATOM 305 C ILE A 21 1.487 2.138 1.180 1.00 0.00 C ATOM 306 O ILE A 21 1.687 1.704 0.040 1.00 0.00 O ATOM 307 CB ILE A 21 3.669 1.475 2.453 1.00 0.00 C ATOM 308 CG1 ILE A 21 4.260 1.491 3.882 1.00 0.00 C ATOM 309 CG2 ILE A 21 4.302 2.637 1.673 1.00 0.00 C ATOM 310 CD1 ILE A 21 3.888 0.310 4.784 1.00 0.00 C ATOM 0 H ILE A 21 1.892 -0.443 1.675 1.00 0.00 H new ATOM 0 HA ILE A 21 1.797 2.093 3.264 1.00 0.00 H new ATOM 0 HB ILE A 21 3.920 0.530 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.346 1.532 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.942 2.410 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.388 2.570 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.997 2.582 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.970 3.584 2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.361 0.433 5.758 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.806 0.274 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.232 -0.618 4.328 1.00 0.00 H new ATOM 322 N ASP A 22 0.703 3.188 1.427 1.00 0.00 N ATOM 323 CA ASP A 22 0.000 4.000 0.442 1.00 0.00 C ATOM 324 C ASP A 22 0.987 5.003 -0.156 1.00 0.00 C ATOM 325 O ASP A 22 1.133 6.121 0.344 1.00 0.00 O ATOM 326 CB ASP A 22 -1.157 4.773 1.094 1.00 0.00 C ATOM 327 CG ASP A 22 -2.389 3.933 1.390 1.00 0.00 C ATOM 328 OD1 ASP A 22 -2.859 3.942 2.550 1.00 0.00 O ATOM 329 OD2 ASP A 22 -2.956 3.289 0.485 1.00 0.00 O ATOM 0 H ASP A 22 0.534 3.511 2.380 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.408 3.346 -0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.802 5.216 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.443 5.596 0.438 1.00 0.00 H new ATOM 334 N ILE A 23 1.654 4.633 -1.247 1.00 0.00 N ATOM 335 CA ILE A 23 2.631 5.477 -1.941 1.00 0.00 C ATOM 336 C ILE A 23 1.944 6.553 -2.811 1.00 0.00 C ATOM 337 O ILE A 23 2.327 6.783 -3.963 1.00 0.00 O ATOM 338 CB ILE A 23 3.588 4.575 -2.748 1.00 0.00 C ATOM 339 CG1 ILE A 23 2.876 3.749 -3.842 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.347 3.592 -1.837 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.843 3.407 -4.967 1.00 0.00 C ATOM 0 H ILE A 23 1.530 3.720 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 23 3.218 6.031 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 23 4.281 5.268 -3.226 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.473 2.833 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.032 4.312 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.011 2.974 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.935 4.151 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.633 2.955 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.324 2.825 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.225 4.326 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.673 2.824 -4.568 1.00 0.00 H new ATOM 353 N ARG A 24 0.911 7.216 -2.290 1.00 0.00 N ATOM 354 CA ARG A 24 0.117 8.225 -2.995 1.00 0.00 C ATOM 355 C ARG A 24 0.171 9.611 -2.366 1.00 0.00 C ATOM 356 O ARG A 24 1.155 10.316 -2.584 1.00 0.00 O ATOM 357 CB ARG A 24 -1.320 7.703 -3.182 1.00 0.00 C ATOM 358 CG ARG A 24 -1.848 6.922 -1.987 1.00 0.00 C ATOM 359 CD ARG A 24 -3.370 6.930 -2.024 1.00 0.00 C ATOM 360 NE ARG A 24 -3.881 5.686 -1.487 1.00 0.00 N ATOM 361 CZ ARG A 24 -5.141 5.436 -1.133 1.00 0.00 C ATOM 362 NH1 ARG A 24 -6.109 6.291 -1.426 1.00 0.00 N ATOM 363 NH2 ARG A 24 -5.426 4.305 -0.508 1.00 0.00 N ATOM 0 H ARG A 24 0.593 7.061 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 24 0.568 8.374 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.982 8.548 -3.374 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.353 7.065 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.476 5.898 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.491 7.368 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.752 7.771 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.717 7.064 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.211 4.927 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.894 7.152 -1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.070 6.088 -1.150 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.685 3.635 -0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.387 4.103 -0.232 1.00 0.00 H new ATOM 377 N ASP A 25 -0.865 10.013 -1.630 1.00 0.00 N ATOM 378 CA ASP A 25 -0.980 11.322 -0.990 1.00 0.00 C ATOM 379 C ASP A 25 -1.627 11.216 0.383 1.00 0.00 C ATOM 380 O ASP A 25 -2.492 10.367 0.596 1.00 0.00 O ATOM 381 CB ASP A 25 -1.870 12.243 -1.849 1.00 0.00 C ATOM 382 CG ASP A 25 -1.064 13.164 -2.753 1.00 0.00 C ATOM 383 OD1 ASP A 25 -0.499 14.146 -2.211 1.00 0.00 O ATOM 384 OD2 ASP A 25 -1.040 12.939 -3.987 1.00 0.00 O ATOM 0 H ASP A 25 -1.674 9.416 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 25 0.028 11.724 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.535 11.632 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.501 12.844 -1.195 1.00 0.00 H new ATOM 389 N ALA A 26 -1.239 12.112 1.295 1.00 0.00 N ATOM 390 CA ALA A 26 -1.773 12.177 2.652 1.00 0.00 C ATOM 391 C ALA A 26 -3.211 12.712 2.654 1.00 0.00 C ATOM 392 O ALA A 26 -3.995 12.384 3.543 1.00 0.00 O ATOM 393 CB ALA A 26 -0.880 13.081 3.507 1.00 0.00 C ATOM 0 H ALA A 26 -0.533 12.823 1.105 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.786 11.170 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.277 13.131 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.131 12.674 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.857 14.082 3.077 1.00 0.00 H new ATOM 399 N ASP A 27 -3.575 13.505 1.642 1.00 0.00 N ATOM 400 CA ASP A 27 -4.916 14.081 1.507 1.00 0.00 C ATOM 401 C ASP A 27 -5.967 12.978 1.378 1.00 0.00 C ATOM 402 O ASP A 27 -7.126 13.176 1.744 1.00 0.00 O ATOM 403 CB ASP A 27 -5.012 14.977 0.260 1.00 0.00 C ATOM 404 CG ASP A 27 -4.154 16.234 0.345 1.00 0.00 C ATOM 405 OD1 ASP A 27 -4.459 17.136 1.155 1.00 0.00 O ATOM 406 OD2 ASP A 27 -3.145 16.317 -0.397 1.00 0.00 O ATOM 0 H ASP A 27 -2.942 13.767 0.887 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.100 14.674 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.712 14.401 -0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.052 15.266 0.110 1.00 0.00 H new ATOM 411 N GLU A 28 -5.573 11.817 0.856 1.00 0.00 N ATOM 412 CA GLU A 28 -6.440 10.667 0.647 1.00 0.00 C ATOM 413 C GLU A 28 -6.680 9.930 1.962 1.00 0.00 C ATOM 414 O GLU A 28 -7.822 9.616 2.303 1.00 0.00 O ATOM 415 CB GLU A 28 -5.816 9.746 -0.406 1.00 0.00 C ATOM 416 CG GLU A 28 -5.519 10.540 -1.691 1.00 0.00 C ATOM 417 CD GLU A 28 -5.188 9.674 -2.897 1.00 0.00 C ATOM 418 OE1 GLU A 28 -4.456 10.157 -3.793 1.00 0.00 O ATOM 419 OE2 GLU A 28 -5.757 8.566 -2.996 1.00 0.00 O ATOM 0 H GLU A 28 -4.612 11.650 0.559 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.410 11.004 0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.896 9.308 -0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.493 8.921 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.383 11.160 -1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.684 11.215 -1.503 1.00 0.00 H new ATOM 426 N TYR A 29 -5.596 9.692 2.706 1.00 0.00 N ATOM 427 CA TYR A 29 -5.581 9.020 4.002 1.00 0.00 C ATOM 428 C TYR A 29 -6.530 9.703 4.988 1.00 0.00 C ATOM 429 O TYR A 29 -7.135 9.040 5.829 1.00 0.00 O ATOM 430 CB TYR A 29 -4.134 9.041 4.517 1.00 0.00 C ATOM 431 CG TYR A 29 -3.937 8.716 5.984 1.00 0.00 C ATOM 432 CD1 TYR A 29 -3.851 9.743 6.944 1.00 0.00 C ATOM 433 CD2 TYR A 29 -3.803 7.379 6.383 1.00 0.00 C ATOM 434 CE1 TYR A 29 -3.614 9.428 8.295 1.00 0.00 C ATOM 435 CE2 TYR A 29 -3.571 7.052 7.729 1.00 0.00 C ATOM 436 CZ TYR A 29 -3.468 8.077 8.692 1.00 0.00 C ATOM 437 OH TYR A 29 -3.206 7.766 9.992 1.00 0.00 O ATOM 0 H TYR A 29 -4.664 9.977 2.405 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.929 7.992 3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.551 8.332 3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.718 10.030 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.967 10.774 6.643 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.879 6.592 5.647 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.543 10.217 9.029 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.472 6.018 8.026 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.138 6.793 10.088 1.00 0.00 H new ATOM 447 N LEU A 30 -6.673 11.025 4.883 1.00 0.00 N ATOM 448 CA LEU A 30 -7.544 11.799 5.751 1.00 0.00 C ATOM 449 C LEU A 30 -9.026 11.504 5.530 1.00 0.00 C ATOM 450 O LEU A 30 -9.818 11.680 6.461 1.00 0.00 O ATOM 451 CB LEU A 30 -7.295 13.293 5.497 1.00 0.00 C ATOM 452 CG LEU A 30 -6.016 13.828 6.166 1.00 0.00 C ATOM 453 CD1 LEU A 30 -5.714 15.243 5.668 1.00 0.00 C ATOM 454 CD2 LEU A 30 -6.142 13.866 7.693 1.00 0.00 C ATOM 0 H LEU A 30 -6.182 11.587 4.187 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.308 11.520 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.232 13.464 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.150 13.862 5.861 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.207 13.148 5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.807 15.612 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.572 15.226 4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.548 15.901 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.218 14.250 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.971 14.516 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.327 12.859 8.068 1.00 0.00 H new ATOM 466 N ARG A 31 -9.416 11.121 4.314 1.00 0.00 N ATOM 467 CA ARG A 31 -10.802 10.828 3.958 1.00 0.00 C ATOM 468 C ARG A 31 -11.194 9.400 4.293 1.00 0.00 C ATOM 469 O ARG A 31 -12.026 9.195 5.171 1.00 0.00 O ATOM 470 CB ARG A 31 -11.068 11.170 2.479 1.00 0.00 C ATOM 471 CG ARG A 31 -10.950 12.684 2.279 1.00 0.00 C ATOM 472 CD ARG A 31 -11.542 13.185 0.956 1.00 0.00 C ATOM 473 NE ARG A 31 -10.650 12.962 -0.200 1.00 0.00 N ATOM 474 CZ ARG A 31 -11.044 12.651 -1.444 1.00 0.00 C ATOM 475 NH1 ARG A 31 -12.269 12.184 -1.677 1.00 0.00 N ATOM 476 NH2 ARG A 31 -10.219 12.799 -2.473 1.00 0.00 N ATOM 0 H ARG A 31 -8.766 11.004 3.537 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.441 11.467 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.354 10.651 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.062 10.830 2.188 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.451 13.190 3.104 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.898 12.966 2.324 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.492 12.682 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.757 14.250 1.041 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.647 13.052 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.922 12.058 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.554 11.952 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.274 13.153 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.530 12.559 -3.414 1.00 0.00 H new ATOM 490 N GLU A 32 -10.691 8.422 3.550 1.00 0.00 N ATOM 491 CA GLU A 32 -10.983 7.003 3.736 1.00 0.00 C ATOM 492 C GLU A 32 -10.049 6.179 2.853 1.00 0.00 C ATOM 493 O GLU A 32 -9.933 6.454 1.654 1.00 0.00 O ATOM 494 CB GLU A 32 -12.460 6.684 3.434 1.00 0.00 C ATOM 495 CG GLU A 32 -13.050 7.199 2.106 1.00 0.00 C ATOM 496 CD GLU A 32 -14.593 7.276 2.120 1.00 0.00 C ATOM 497 OE1 GLU A 32 -15.191 8.007 2.947 1.00 0.00 O ATOM 498 OE2 GLU A 32 -15.261 6.606 1.297 1.00 0.00 O ATOM 0 H GLU A 32 -10.049 8.598 2.777 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.813 6.743 4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.580 5.601 3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.063 7.088 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.644 8.188 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.732 6.544 1.295 1.00 0.00 H new ATOM 505 N HIS A 33 -9.394 5.174 3.444 1.00 0.00 N ATOM 506 CA HIS A 33 -8.450 4.275 2.782 1.00 0.00 C ATOM 507 C HIS A 33 -8.528 2.861 3.410 1.00 0.00 C ATOM 508 O HIS A 33 -9.511 2.563 4.089 1.00 0.00 O ATOM 509 CB HIS A 33 -7.040 4.897 2.851 1.00 0.00 C ATOM 510 CG HIS A 33 -6.309 4.725 4.165 1.00 0.00 C ATOM 511 ND1 HIS A 33 -5.017 4.266 4.302 1.00 0.00 N ATOM 512 CD2 HIS A 33 -6.803 4.943 5.426 1.00 0.00 C ATOM 513 CE1 HIS A 33 -4.757 4.169 5.613 1.00 0.00 C ATOM 514 NE2 HIS A 33 -5.813 4.569 6.337 1.00 0.00 N ATOM 0 H HIS A 33 -9.513 4.959 4.434 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.704 4.152 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.432 4.461 2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.123 5.963 2.639 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.374 4.041 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -7.780 5.333 5.670 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.825 3.817 6.030 1.00 0.00 H new ATOM 522 N ILE A 34 -7.577 1.952 3.149 1.00 0.00 N ATOM 523 CA ILE A 34 -7.557 0.591 3.719 1.00 0.00 C ATOM 524 C ILE A 34 -7.155 0.709 5.200 1.00 0.00 C ATOM 525 O ILE A 34 -6.229 1.460 5.500 1.00 0.00 O ATOM 526 CB ILE A 34 -6.544 -0.314 2.975 1.00 0.00 C ATOM 527 CG1 ILE A 34 -6.910 -0.396 1.477 1.00 0.00 C ATOM 528 CG2 ILE A 34 -6.446 -1.724 3.600 1.00 0.00 C ATOM 529 CD1 ILE A 34 -5.851 -1.126 0.655 1.00 0.00 C ATOM 0 H ILE A 34 -6.789 2.141 2.529 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.543 0.138 3.614 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.558 0.140 3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.866 -0.907 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.040 0.612 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.723 -2.320 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.124 -1.640 4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.422 -2.208 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.158 -1.155 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.899 -0.601 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.738 -2.144 1.029 1.00 0.00 H new ATOM 541 N PRO A 35 -7.746 -0.071 6.123 1.00 0.00 N ATOM 542 CA PRO A 35 -7.423 0.015 7.540 1.00 0.00 C ATOM 543 C PRO A 35 -6.064 -0.564 7.910 1.00 0.00 C ATOM 544 O PRO A 35 -5.390 -0.017 8.777 1.00 0.00 O ATOM 545 CB PRO A 35 -8.544 -0.736 8.259 1.00 0.00 C ATOM 546 CG PRO A 35 -9.017 -1.755 7.226 1.00 0.00 C ATOM 547 CD PRO A 35 -8.830 -1.014 5.909 1.00 0.00 C ATOM 0 HA PRO A 35 -7.352 1.063 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.183 -1.222 9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.349 -0.064 8.557 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.427 -2.671 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.057 -2.040 7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.589 -1.707 5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.745 -0.496 5.621 1.00 0.00 H new ATOM 555 N GLU A 36 -5.635 -1.636 7.251 1.00 0.00 N ATOM 556 CA GLU A 36 -4.359 -2.289 7.518 1.00 0.00 C ATOM 557 C GLU A 36 -3.154 -1.434 7.107 1.00 0.00 C ATOM 558 O GLU A 36 -2.023 -1.707 7.525 1.00 0.00 O ATOM 559 CB GLU A 36 -4.337 -3.651 6.825 1.00 0.00 C ATOM 560 CG GLU A 36 -5.437 -4.562 7.392 1.00 0.00 C ATOM 561 CD GLU A 36 -5.249 -6.041 7.069 1.00 0.00 C ATOM 562 OE1 GLU A 36 -5.602 -6.427 5.934 1.00 0.00 O ATOM 563 OE2 GLU A 36 -4.781 -6.778 7.974 1.00 0.00 O ATOM 0 H GLU A 36 -6.172 -2.081 6.506 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.270 -2.425 8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.481 -3.522 5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.362 -4.119 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.473 -4.439 8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.401 -4.236 7.002 1.00 0.00 H new ATOM 570 N ALA A 37 -3.380 -0.426 6.262 1.00 0.00 N ATOM 571 CA ALA A 37 -2.341 0.476 5.801 1.00 0.00 C ATOM 572 C ALA A 37 -2.143 1.594 6.814 1.00 0.00 C ATOM 573 O ALA A 37 -2.922 1.729 7.763 1.00 0.00 O ATOM 574 CB ALA A 37 -2.740 1.056 4.440 1.00 0.00 C ATOM 0 H ALA A 37 -4.302 -0.217 5.879 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.403 -0.069 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.961 1.734 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.864 0.246 3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.679 1.601 4.538 1.00 0.00 H new ATOM 580 N ASP A 38 -1.106 2.404 6.632 1.00 0.00 N ATOM 581 CA ASP A 38 -0.834 3.523 7.515 1.00 0.00 C ATOM 582 C ASP A 38 -0.742 4.727 6.598 1.00 0.00 C ATOM 583 O ASP A 38 -1.748 5.100 6.003 1.00 0.00 O ATOM 584 CB ASP A 38 0.403 3.230 8.353 1.00 0.00 C ATOM 585 CG ASP A 38 0.447 4.136 9.581 1.00 0.00 C ATOM 586 OD1 ASP A 38 -0.036 3.684 10.647 1.00 0.00 O ATOM 587 OD2 ASP A 38 0.987 5.256 9.499 1.00 0.00 O ATOM 0 H ASP A 38 -0.435 2.301 5.871 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.606 3.714 8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.399 2.186 8.665 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.300 3.379 7.752 1.00 0.00 H new ATOM 592 N LEU A 39 0.445 5.254 6.340 1.00 0.00 N ATOM 593 CA LEU A 39 0.663 6.402 5.466 1.00 0.00 C ATOM 594 C LEU A 39 2.152 6.531 5.173 1.00 0.00 C ATOM 595 O LEU A 39 2.963 6.566 6.098 1.00 0.00 O ATOM 596 CB LEU A 39 0.154 7.691 6.140 1.00 0.00 C ATOM 597 CG LEU A 39 0.394 8.959 5.300 1.00 0.00 C ATOM 598 CD1 LEU A 39 -0.306 8.900 3.937 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.095 10.186 6.067 1.00 0.00 C ATOM 0 H LEU A 39 1.308 4.887 6.742 1.00 0.00 H new ATOM 0 HA LEU A 39 0.114 6.254 4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.914 7.592 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.647 7.806 7.106 1.00 0.00 H new ATOM 0 HG LEU A 39 1.466 9.026 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.105 9.818 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.069 8.047 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.381 8.793 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.077 11.081 5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.161 10.086 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.450 10.268 7.008 1.00 0.00 H new ATOM 611 N ALA A 40 2.515 6.576 3.892 1.00 0.00 N ATOM 612 CA ALA A 40 3.892 6.719 3.435 1.00 0.00 C ATOM 613 C ALA A 40 3.865 7.118 1.947 1.00 0.00 C ATOM 614 O ALA A 40 4.225 6.305 1.088 1.00 0.00 O ATOM 615 CB ALA A 40 4.665 5.425 3.750 1.00 0.00 C ATOM 0 H ALA A 40 1.843 6.512 3.127 1.00 0.00 H new ATOM 0 HA ALA A 40 4.428 7.511 3.957 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.696 5.525 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.653 5.246 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.194 4.586 3.237 1.00 0.00 H new ATOM 621 N PRO A 41 3.411 8.347 1.623 1.00 0.00 N ATOM 622 CA PRO A 41 3.320 8.817 0.250 1.00 0.00 C ATOM 623 C PRO A 41 4.715 9.061 -0.307 1.00 0.00 C ATOM 624 O PRO A 41 5.605 9.517 0.420 1.00 0.00 O ATOM 625 CB PRO A 41 2.474 10.089 0.299 1.00 0.00 C ATOM 626 CG PRO A 41 2.700 10.629 1.704 1.00 0.00 C ATOM 627 CD PRO A 41 2.980 9.388 2.544 1.00 0.00 C ATOM 0 HA PRO A 41 2.856 8.088 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.788 10.806 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.421 9.875 0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.538 11.326 1.732 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.825 11.167 2.069 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.751 9.590 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.087 9.079 3.087 1.00 0.00 H new ATOM 635 N LEU A 42 4.877 8.851 -1.618 1.00 0.00 N ATOM 636 CA LEU A 42 6.163 9.011 -2.288 1.00 0.00 C ATOM 637 C LEU A 42 6.794 10.369 -2.011 1.00 0.00 C ATOM 638 O LEU A 42 7.975 10.445 -1.692 1.00 0.00 O ATOM 639 CB LEU A 42 6.040 8.799 -3.800 1.00 0.00 C ATOM 640 CG LEU A 42 7.218 8.086 -4.493 1.00 0.00 C ATOM 641 CD1 LEU A 42 8.499 7.856 -3.683 1.00 0.00 C ATOM 642 CD2 LEU A 42 6.719 6.725 -4.965 1.00 0.00 C ATOM 0 H LEU A 42 4.120 8.566 -2.239 1.00 0.00 H new ATOM 0 HA LEU A 42 6.817 8.243 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.134 8.225 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.906 9.773 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 42 7.521 8.772 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.235 7.345 -4.304 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.901 8.816 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.273 7.244 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.530 6.192 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.376 6.146 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.894 6.862 -5.664 1.00 0.00 H new ATOM 654 N SER A 43 5.998 11.436 -2.072 1.00 0.00 N ATOM 655 CA SER A 43 6.460 12.794 -1.843 1.00 0.00 C ATOM 656 C SER A 43 7.171 12.963 -0.494 1.00 0.00 C ATOM 657 O SER A 43 8.079 13.790 -0.394 1.00 0.00 O ATOM 658 CB SER A 43 5.261 13.742 -1.962 1.00 0.00 C ATOM 659 OG SER A 43 4.542 13.464 -3.152 1.00 0.00 O ATOM 0 H SER A 43 5.002 11.375 -2.285 1.00 0.00 H new ATOM 0 HA SER A 43 7.207 13.036 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.608 13.627 -1.097 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.604 14.777 -1.967 1.00 0.00 H new ATOM 0 HG SER A 43 3.776 14.072 -3.221 1.00 0.00 H new ATOM 665 N VAL A 44 6.780 12.203 0.536 1.00 0.00 N ATOM 666 CA VAL A 44 7.380 12.286 1.867 1.00 0.00 C ATOM 667 C VAL A 44 8.507 11.257 1.975 1.00 0.00 C ATOM 668 O VAL A 44 9.521 11.505 2.635 1.00 0.00 O ATOM 669 CB VAL A 44 6.280 12.104 2.930 1.00 0.00 C ATOM 670 CG1 VAL A 44 6.833 12.175 4.359 1.00 0.00 C ATOM 671 CG2 VAL A 44 5.209 13.197 2.782 1.00 0.00 C ATOM 0 H VAL A 44 6.034 11.511 0.466 1.00 0.00 H new ATOM 0 HA VAL A 44 7.828 13.265 2.040 1.00 0.00 H new ATOM 0 HB VAL A 44 5.853 11.115 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.019 12.041 5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.573 11.388 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.300 13.146 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.438 13.056 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.669 14.177 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.760 13.134 1.791 1.00 0.00 H new ATOM 681 N LEU A 45 8.358 10.106 1.317 1.00 0.00 N ATOM 682 CA LEU A 45 9.368 9.061 1.322 1.00 0.00 C ATOM 683 C LEU A 45 10.637 9.606 0.698 1.00 0.00 C ATOM 684 O LEU A 45 11.693 9.540 1.313 1.00 0.00 O ATOM 685 CB LEU A 45 8.876 7.829 0.557 1.00 0.00 C ATOM 686 CG LEU A 45 7.853 6.945 1.305 1.00 0.00 C ATOM 687 CD1 LEU A 45 8.047 5.465 0.949 1.00 0.00 C ATOM 688 CD2 LEU A 45 7.889 7.071 2.829 1.00 0.00 C ATOM 0 H LEU A 45 7.530 9.878 0.767 1.00 0.00 H new ATOM 0 HA LEU A 45 9.569 8.753 2.348 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.427 8.160 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.739 7.216 0.298 1.00 0.00 H new ATOM 0 HG LEU A 45 6.884 7.315 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.316 4.862 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.911 5.328 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.053 5.152 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.137 6.414 3.266 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.876 6.787 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.680 8.102 3.114 1.00 0.00 H new ATOM 700 N GLU A 46 10.523 10.205 -0.479 1.00 0.00 N ATOM 701 CA GLU A 46 11.638 10.801 -1.200 1.00 0.00 C ATOM 702 C GLU A 46 12.400 11.814 -0.328 1.00 0.00 C ATOM 703 O GLU A 46 13.603 11.997 -0.502 1.00 0.00 O ATOM 704 CB GLU A 46 11.121 11.477 -2.476 1.00 0.00 C ATOM 705 CG GLU A 46 10.987 10.413 -3.566 1.00 0.00 C ATOM 706 CD GLU A 46 12.286 10.215 -4.338 1.00 0.00 C ATOM 707 OE1 GLU A 46 13.126 9.417 -3.863 1.00 0.00 O ATOM 708 OE2 GLU A 46 12.397 10.669 -5.496 1.00 0.00 O ATOM 0 H GLU A 46 9.633 10.292 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 46 12.337 10.008 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.158 11.952 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.807 12.262 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.687 9.468 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.195 10.701 -4.258 1.00 0.00 H new ATOM 715 N GLN A 47 11.707 12.476 0.606 1.00 0.00 N ATOM 716 CA GLN A 47 12.273 13.462 1.513 1.00 0.00 C ATOM 717 C GLN A 47 12.970 12.854 2.733 1.00 0.00 C ATOM 718 O GLN A 47 14.119 13.211 3.006 1.00 0.00 O ATOM 719 CB GLN A 47 11.167 14.415 1.999 1.00 0.00 C ATOM 720 CG GLN A 47 10.834 15.493 0.963 1.00 0.00 C ATOM 721 CD GLN A 47 9.722 16.409 1.463 1.00 0.00 C ATOM 722 OE1 GLN A 47 9.967 17.360 2.201 1.00 0.00 O ATOM 723 NE2 GLN A 47 8.479 16.122 1.129 1.00 0.00 N ATOM 0 H GLN A 47 10.708 12.331 0.750 1.00 0.00 H new ATOM 0 HA GLN A 47 13.034 13.994 0.942 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.268 13.841 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 47 11.482 14.891 2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.725 16.082 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.529 15.022 0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.286 15.330 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.711 16.692 1.484 1.00 0.00 H new ATOM 732 N SER A 48 12.298 11.978 3.488 1.00 0.00 N ATOM 733 CA SER A 48 12.846 11.375 4.710 1.00 0.00 C ATOM 734 C SER A 48 13.068 9.862 4.675 1.00 0.00 C ATOM 735 O SER A 48 14.058 9.379 5.238 1.00 0.00 O ATOM 736 CB SER A 48 11.912 11.751 5.875 1.00 0.00 C ATOM 737 OG SER A 48 12.661 12.172 6.997 1.00 0.00 O ATOM 0 H SER A 48 11.353 11.665 3.268 1.00 0.00 H new ATOM 0 HA SER A 48 13.852 11.778 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.235 12.547 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.294 10.894 6.144 1.00 0.00 H new ATOM 0 HG SER A 48 12.052 12.409 7.727 1.00 0.00 H new ATOM 743 N GLY A 49 12.170 9.121 4.034 1.00 0.00 N ATOM 744 CA GLY A 49 12.224 7.674 3.925 1.00 0.00 C ATOM 745 C GLY A 49 11.080 7.049 4.716 1.00 0.00 C ATOM 746 O GLY A 49 10.179 7.751 5.183 1.00 0.00 O ATOM 0 H GLY A 49 11.361 9.527 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.158 7.377 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.180 7.308 4.301 1.00 0.00 H new ATOM 750 N LEU A 50 11.048 5.719 4.787 1.00 0.00 N ATOM 751 CA LEU A 50 10.023 4.971 5.515 1.00 0.00 C ATOM 752 C LEU A 50 10.330 5.069 7.021 1.00 0.00 C ATOM 753 O LEU A 50 11.510 4.984 7.381 1.00 0.00 O ATOM 754 CB LEU A 50 10.040 3.515 5.017 1.00 0.00 C ATOM 755 CG LEU A 50 8.851 2.672 5.505 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.526 3.091 4.854 1.00 0.00 C ATOM 757 CD2 LEU A 50 9.092 1.207 5.143 1.00 0.00 C ATOM 0 H LEU A 50 11.742 5.123 4.335 1.00 0.00 H new ATOM 0 HA LEU A 50 9.026 5.377 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.049 3.515 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.966 3.041 5.343 1.00 0.00 H new ATOM 0 HG LEU A 50 8.776 2.823 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.720 2.464 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.317 4.134 5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.599 2.973 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.251 0.604 5.487 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.189 1.111 4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.007 0.860 5.622 1.00 0.00 H new ATOM 769 N PRO A 51 9.340 5.230 7.918 1.00 0.00 N ATOM 770 CA PRO A 51 9.601 5.343 9.348 1.00 0.00 C ATOM 771 C PRO A 51 9.867 3.982 9.992 1.00 0.00 C ATOM 772 O PRO A 51 9.368 2.947 9.537 1.00 0.00 O ATOM 773 CB PRO A 51 8.333 5.964 9.938 1.00 0.00 C ATOM 774 CG PRO A 51 7.231 5.448 9.019 1.00 0.00 C ATOM 775 CD PRO A 51 7.913 5.341 7.656 1.00 0.00 C ATOM 0 HA PRO A 51 10.492 5.943 9.534 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.175 5.652 10.970 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.380 7.053 9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.851 4.483 9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.382 6.131 8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.550 4.472 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.697 6.217 7.044 1.00 0.00 H new ATOM 783 N ALA A 52 10.527 4.005 11.153 1.00 0.00 N ATOM 784 CA ALA A 52 10.886 2.834 11.951 1.00 0.00 C ATOM 785 C ALA A 52 9.677 2.010 12.442 1.00 0.00 C ATOM 786 O ALA A 52 9.851 0.926 13.006 1.00 0.00 O ATOM 787 CB ALA A 52 11.716 3.294 13.152 1.00 0.00 C ATOM 0 H ALA A 52 10.838 4.878 11.579 1.00 0.00 H new ATOM 0 HA ALA A 52 11.455 2.170 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 11.991 2.430 13.757 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.619 3.793 12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.130 3.987 13.755 1.00 0.00 H new ATOM 793 N LYS A 53 8.456 2.522 12.265 1.00 0.00 N ATOM 794 CA LYS A 53 7.200 1.889 12.654 1.00 0.00 C ATOM 795 C LYS A 53 6.591 1.070 11.518 1.00 0.00 C ATOM 796 O LYS A 53 6.040 -0.001 11.757 1.00 0.00 O ATOM 797 CB LYS A 53 6.190 2.984 13.052 1.00 0.00 C ATOM 798 CG LYS A 53 6.673 3.925 14.167 1.00 0.00 C ATOM 799 CD LYS A 53 6.979 3.174 15.463 1.00 0.00 C ATOM 800 CE LYS A 53 6.959 4.142 16.649 1.00 0.00 C ATOM 801 NZ LYS A 53 7.441 3.504 17.888 1.00 0.00 N ATOM 0 H LYS A 53 8.313 3.432 11.826 1.00 0.00 H new ATOM 0 HA LYS A 53 7.413 1.217 13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.953 3.579 12.170 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.264 2.507 13.373 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.568 4.451 13.834 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.911 4.681 14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.245 2.383 15.616 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.955 2.693 15.392 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.580 5.008 16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.944 4.509 16.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.412 4.192 18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.833 2.693 18.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.419 3.176 17.752 1.00 0.00 H new ATOM 815 N LEU A 54 6.716 1.544 10.275 1.00 0.00 N ATOM 816 CA LEU A 54 6.138 0.879 9.101 1.00 0.00 C ATOM 817 C LEU A 54 7.108 0.007 8.317 1.00 0.00 C ATOM 818 O LEU A 54 6.721 -0.578 7.312 1.00 0.00 O ATOM 819 CB LEU A 54 5.547 1.943 8.163 1.00 0.00 C ATOM 820 CG LEU A 54 4.469 2.815 8.821 1.00 0.00 C ATOM 821 CD1 LEU A 54 4.006 3.872 7.814 1.00 0.00 C ATOM 822 CD2 LEU A 54 3.294 1.974 9.325 1.00 0.00 C ATOM 0 H LEU A 54 7.222 2.401 10.053 1.00 0.00 H new ATOM 0 HA LEU A 54 5.374 0.203 9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.351 2.585 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.119 1.449 7.291 1.00 0.00 H new ATOM 0 HG LEU A 54 4.894 3.309 9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.239 4.498 8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.854 4.492 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.595 3.380 6.933 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.551 2.626 9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.842 1.442 8.488 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.651 1.255 10.062 1.00 0.00 H new ATOM 834 N ARG A 55 8.361 -0.079 8.750 1.00 0.00 N ATOM 835 CA ARG A 55 9.425 -0.845 8.108 1.00 0.00 C ATOM 836 C ARG A 55 9.385 -2.339 8.436 1.00 0.00 C ATOM 837 O ARG A 55 10.409 -2.975 8.682 1.00 0.00 O ATOM 838 CB ARG A 55 10.785 -0.179 8.344 1.00 0.00 C ATOM 839 CG ARG A 55 11.354 -0.342 9.758 1.00 0.00 C ATOM 840 CD ARG A 55 12.874 -0.386 9.630 1.00 0.00 C ATOM 841 NE ARG A 55 13.522 -0.682 10.908 1.00 0.00 N ATOM 842 CZ ARG A 55 14.678 -1.333 11.047 1.00 0.00 C ATOM 843 NH1 ARG A 55 15.503 -1.495 10.019 1.00 0.00 N ATOM 844 NH2 ARG A 55 14.991 -1.811 12.240 1.00 0.00 N ATOM 0 H ARG A 55 8.677 0.402 9.592 1.00 0.00 H new ATOM 0 HA ARG A 55 9.249 -0.822 7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.501 -0.589 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.693 0.885 8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.045 0.487 10.395 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.980 -1.256 10.220 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.155 -1.143 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.234 0.571 9.254 1.00 0.00 H new ATOM 0 HE ARG A 55 13.054 -0.366 11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 55 15.257 -1.119 9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.383 -1.996 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.355 -1.678 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.869 -2.313 12.374 1.00 0.00 H new ATOM 858 N HIS A 56 8.173 -2.870 8.515 1.00 0.00 N ATOM 859 CA HIS A 56 7.923 -4.277 8.807 1.00 0.00 C ATOM 860 C HIS A 56 8.752 -5.167 7.876 1.00 0.00 C ATOM 861 O HIS A 56 9.062 -4.770 6.753 1.00 0.00 O ATOM 862 CB HIS A 56 6.430 -4.618 8.692 1.00 0.00 C ATOM 863 CG HIS A 56 5.985 -5.651 9.691 1.00 0.00 C ATOM 864 ND1 HIS A 56 6.266 -6.993 9.690 1.00 0.00 N flip ATOM 865 CD2 HIS A 56 5.246 -5.382 10.815 1.00 0.00 C flip ATOM 866 CE1 HIS A 56 5.755 -7.530 10.875 1.00 0.00 C flip ATOM 867 NE2 HIS A 56 5.101 -6.530 11.488 1.00 0.00 N flip ATOM 0 H HIS A 56 7.321 -2.327 8.376 1.00 0.00 H new ATOM 0 HA HIS A 56 8.226 -4.465 9.837 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.844 -3.710 8.831 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.222 -4.981 7.685 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.853 -4.419 11.104 1.00 0.00 H new ATOM 0 HE1 HIS A 56 5.864 -8.545 11.227 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.566 -6.632 12.350 1.00 0.00 H new ATOM 875 N GLU A 57 9.015 -6.399 8.313 1.00 0.00 N ATOM 876 CA GLU A 57 9.794 -7.412 7.597 1.00 0.00 C ATOM 877 C GLU A 57 9.289 -7.650 6.172 1.00 0.00 C ATOM 878 O GLU A 57 10.063 -8.072 5.310 1.00 0.00 O ATOM 879 CB GLU A 57 9.769 -8.762 8.345 1.00 0.00 C ATOM 880 CG GLU A 57 10.153 -8.758 9.833 1.00 0.00 C ATOM 881 CD GLU A 57 11.607 -8.369 10.115 1.00 0.00 C ATOM 882 OE1 GLU A 57 12.285 -9.076 10.899 1.00 0.00 O ATOM 883 OE2 GLU A 57 12.093 -7.353 9.578 1.00 0.00 O ATOM 0 H GLU A 57 8.676 -6.734 9.215 1.00 0.00 H new ATOM 0 HA GLU A 57 10.810 -7.020 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.764 -9.175 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.441 -9.446 7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.497 -8.067 10.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.970 -9.750 10.245 1.00 0.00 H new ATOM 890 N GLN A 58 7.999 -7.428 5.915 1.00 0.00 N ATOM 891 CA GLN A 58 7.378 -7.593 4.617 1.00 0.00 C ATOM 892 C GLN A 58 6.281 -6.552 4.516 1.00 0.00 C ATOM 893 O GLN A 58 5.447 -6.434 5.416 1.00 0.00 O ATOM 894 CB GLN A 58 6.807 -9.019 4.439 1.00 0.00 C ATOM 895 CG GLN A 58 7.743 -10.190 4.799 1.00 0.00 C ATOM 896 CD GLN A 58 7.003 -11.522 4.794 1.00 0.00 C ATOM 897 OE1 GLN A 58 6.389 -11.887 5.794 1.00 0.00 O ATOM 898 NE2 GLN A 58 7.083 -12.300 3.728 1.00 0.00 N ATOM 0 H GLN A 58 7.344 -7.119 6.633 1.00 0.00 H new ATOM 0 HA GLN A 58 8.115 -7.458 3.825 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.907 -9.103 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.501 -9.136 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.568 -10.229 4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.179 -10.019 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.596 -11.985 2.904 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.632 -13.215 3.729 1.00 0.00 H new ATOM 907 N ILE A 59 6.289 -5.771 3.439 1.00 0.00 N ATOM 908 CA ILE A 59 5.294 -4.743 3.202 1.00 0.00 C ATOM 909 C ILE A 59 4.851 -4.822 1.743 1.00 0.00 C ATOM 910 O ILE A 59 5.477 -5.502 0.925 1.00 0.00 O ATOM 911 CB ILE A 59 5.801 -3.351 3.636 1.00 0.00 C ATOM 912 CG1 ILE A 59 6.597 -2.636 2.528 1.00 0.00 C ATOM 913 CG2 ILE A 59 6.596 -3.383 4.954 1.00 0.00 C ATOM 914 CD1 ILE A 59 7.031 -1.223 2.907 1.00 0.00 C ATOM 0 H ILE A 59 6.993 -5.839 2.704 1.00 0.00 H new ATOM 0 HA ILE A 59 4.414 -4.914 3.823 1.00 0.00 H new ATOM 0 HB ILE A 59 4.900 -2.765 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.481 -3.227 2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.988 -2.591 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.925 -2.375 5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.961 -3.767 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.466 -4.030 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.587 -0.779 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.151 -0.617 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.666 -1.263 3.792 1.00 0.00 H new ATOM 926 N ILE A 60 3.789 -4.110 1.388 1.00 0.00 N ATOM 927 CA ILE A 60 3.243 -4.093 0.036 1.00 0.00 C ATOM 928 C ILE A 60 2.934 -2.642 -0.324 1.00 0.00 C ATOM 929 O ILE A 60 2.523 -1.853 0.532 1.00 0.00 O ATOM 930 CB ILE A 60 1.981 -4.991 -0.041 1.00 0.00 C ATOM 931 CG1 ILE A 60 2.201 -6.442 0.451 1.00 0.00 C ATOM 932 CG2 ILE A 60 1.452 -5.088 -1.483 1.00 0.00 C ATOM 933 CD1 ILE A 60 1.027 -6.958 1.261 1.00 0.00 C ATOM 0 H ILE A 60 3.275 -3.519 2.041 1.00 0.00 H new ATOM 0 HA ILE A 60 3.960 -4.495 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 60 1.268 -4.500 0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.362 -7.094 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.105 -6.485 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.567 -5.724 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.192 -4.093 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.222 -5.516 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.229 -7.979 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.881 -6.323 2.135 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.126 -6.942 0.647 1.00 0.00 H new ATOM 945 N PHE A 61 3.147 -2.292 -1.592 1.00 0.00 N ATOM 946 CA PHE A 61 2.889 -0.969 -2.128 1.00 0.00 C ATOM 947 C PHE A 61 1.644 -1.063 -3.004 1.00 0.00 C ATOM 948 O PHE A 61 1.450 -2.050 -3.719 1.00 0.00 O ATOM 949 CB PHE A 61 4.086 -0.481 -2.953 1.00 0.00 C ATOM 950 CG PHE A 61 5.407 -0.337 -2.215 1.00 0.00 C ATOM 951 CD1 PHE A 61 5.460 0.278 -0.948 1.00 0.00 C ATOM 952 CD2 PHE A 61 6.603 -0.781 -2.815 1.00 0.00 C ATOM 953 CE1 PHE A 61 6.694 0.476 -0.303 1.00 0.00 C ATOM 954 CE2 PHE A 61 7.835 -0.569 -2.179 1.00 0.00 C ATOM 955 CZ PHE A 61 7.876 0.055 -0.924 1.00 0.00 C ATOM 0 H PHE A 61 3.513 -2.942 -2.287 1.00 0.00 H new ATOM 0 HA PHE A 61 2.734 -0.255 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.233 -1.173 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.830 0.486 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.547 0.599 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.570 -1.287 -3.769 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.730 0.950 0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.751 -0.886 -2.655 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.825 0.212 -0.433 1.00 0.00 H new ATOM 965 N HIS A 62 0.787 -0.052 -2.930 1.00 0.00 N ATOM 966 CA HIS A 62 -0.453 0.085 -3.685 1.00 0.00 C ATOM 967 C HIS A 62 -0.589 1.572 -4.018 1.00 0.00 C ATOM 968 O HIS A 62 -0.053 2.418 -3.294 1.00 0.00 O ATOM 969 CB HIS A 62 -1.678 -0.303 -2.835 1.00 0.00 C ATOM 970 CG HIS A 62 -1.948 -1.748 -2.525 1.00 0.00 C ATOM 971 ND1 HIS A 62 -1.065 -2.794 -2.616 1.00 0.00 N ATOM 972 CD2 HIS A 62 -3.119 -2.233 -2.000 1.00 0.00 C ATOM 973 CE1 HIS A 62 -1.691 -3.886 -2.152 1.00 0.00 C ATOM 974 NE2 HIS A 62 -2.948 -3.597 -1.784 1.00 0.00 N ATOM 0 H HIS A 62 0.948 0.739 -2.306 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.418 -0.560 -4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.593 0.222 -1.884 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.561 0.091 -3.339 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -0.110 -2.750 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.011 -1.661 -1.792 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.243 -4.866 -2.084 1.00 0.00 H new ATOM 982 N CYS A 63 -1.355 1.905 -5.057 1.00 0.00 N ATOM 983 CA CYS A 63 -1.606 3.275 -5.498 1.00 0.00 C ATOM 984 C CYS A 63 -3.117 3.501 -5.602 1.00 0.00 C ATOM 985 O CYS A 63 -3.884 2.535 -5.632 1.00 0.00 O ATOM 986 CB CYS A 63 -0.966 3.503 -6.869 1.00 0.00 C ATOM 987 SG CYS A 63 0.804 3.128 -6.864 1.00 0.00 S ATOM 0 H CYS A 63 -1.831 1.209 -5.631 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.175 3.972 -4.779 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.466 2.880 -7.610 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.116 4.540 -7.171 1.00 0.00 H new ATOM 0 HG CYS A 63 1.295 3.336 -8.050 1.00 0.00 H new ATOM 993 N GLN A 64 -3.538 4.765 -5.735 1.00 0.00 N ATOM 994 CA GLN A 64 -4.950 5.114 -5.857 1.00 0.00 C ATOM 995 C GLN A 64 -5.529 4.485 -7.127 1.00 0.00 C ATOM 996 O GLN A 64 -6.587 3.861 -7.079 1.00 0.00 O ATOM 997 CB GLN A 64 -5.120 6.641 -5.836 1.00 0.00 C ATOM 998 CG GLN A 64 -6.548 7.142 -6.110 1.00 0.00 C ATOM 999 CD GLN A 64 -7.658 6.396 -5.364 1.00 0.00 C ATOM 1000 OE1 GLN A 64 -7.638 6.212 -4.153 1.00 0.00 O ATOM 1001 NE2 GLN A 64 -8.703 5.984 -6.062 1.00 0.00 N ATOM 0 H GLN A 64 -2.909 5.568 -5.760 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.505 4.715 -5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.802 7.013 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.450 7.076 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.602 8.198 -5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.741 7.071 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.732 6.131 -7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.480 5.519 -5.591 1.00 0.00 H new ATOM 1010 N ALA A 65 -4.838 4.645 -8.260 1.00 0.00 N ATOM 1011 CA ALA A 65 -5.263 4.094 -9.543 1.00 0.00 C ATOM 1012 C ALA A 65 -4.074 3.673 -10.420 1.00 0.00 C ATOM 1013 O ALA A 65 -4.229 3.467 -11.625 1.00 0.00 O ATOM 1014 CB ALA A 65 -6.180 5.101 -10.241 1.00 0.00 C ATOM 0 H ALA A 65 -3.962 5.165 -8.309 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.824 3.177 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.502 4.696 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.053 5.292 -9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.639 6.033 -10.404 1.00 0.00 H new ATOM 1020 N GLY A 66 -2.869 3.617 -9.849 1.00 0.00 N ATOM 1021 CA GLY A 66 -1.655 3.240 -10.552 1.00 0.00 C ATOM 1022 C GLY A 66 -1.402 1.748 -10.426 1.00 0.00 C ATOM 1023 O GLY A 66 -1.499 1.206 -9.329 1.00 0.00 O ATOM 0 H GLY A 66 -2.714 3.838 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.739 3.512 -11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.808 3.793 -10.147 1.00 0.00 H new ATOM 1027 N LYS A 67 -0.997 1.113 -11.527 1.00 0.00 N ATOM 1028 CA LYS A 67 -0.721 -0.322 -11.583 1.00 0.00 C ATOM 1029 C LYS A 67 0.694 -0.715 -11.982 1.00 0.00 C ATOM 1030 O LYS A 67 1.033 -1.896 -11.900 1.00 0.00 O ATOM 1031 CB LYS A 67 -1.748 -0.996 -12.491 1.00 0.00 C ATOM 1032 CG LYS A 67 -1.904 -0.422 -13.910 1.00 0.00 C ATOM 1033 CD LYS A 67 -2.997 -1.210 -14.649 1.00 0.00 C ATOM 1034 CE LYS A 67 -3.284 -0.711 -16.071 1.00 0.00 C ATOM 1035 NZ LYS A 67 -2.094 -0.763 -16.945 1.00 0.00 N ATOM 0 H LYS A 67 -0.850 1.589 -12.417 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.807 -0.676 -10.556 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.484 -2.050 -12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.719 -0.950 -11.998 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.168 0.634 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.960 -0.490 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.703 -2.258 -14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.918 -1.164 -14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.079 -1.314 -16.510 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.651 0.314 -16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.348 -0.431 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.348 -0.153 -16.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.747 -1.742 -17.001 1.00 0.00 H new ATOM 1049 N ARG A 68 1.522 0.218 -12.469 1.00 0.00 N ATOM 1050 CA ARG A 68 2.886 -0.155 -12.836 1.00 0.00 C ATOM 1051 C ARG A 68 3.635 -0.474 -11.555 1.00 0.00 C ATOM 1052 O ARG A 68 4.221 -1.547 -11.441 1.00 0.00 O ATOM 1053 CB ARG A 68 3.600 0.941 -13.650 1.00 0.00 C ATOM 1054 CG ARG A 68 3.296 0.906 -15.157 1.00 0.00 C ATOM 1055 CD ARG A 68 3.748 -0.423 -15.776 1.00 0.00 C ATOM 1056 NE ARG A 68 3.930 -0.357 -17.235 1.00 0.00 N ATOM 1057 CZ ARG A 68 4.133 -1.437 -18.000 1.00 0.00 C ATOM 1058 NH1 ARG A 68 4.021 -2.652 -17.481 1.00 0.00 N ATOM 1059 NH2 ARG A 68 4.464 -1.306 -19.280 1.00 0.00 N ATOM 0 H ARG A 68 1.281 1.199 -12.613 1.00 0.00 H new ATOM 0 HA ARG A 68 2.859 -1.027 -13.489 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.313 1.916 -13.255 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.676 0.843 -13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.227 1.043 -15.320 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.802 1.734 -15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.686 -0.730 -15.314 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.012 -1.192 -15.544 1.00 0.00 H new ATOM 0 HE ARG A 68 3.900 0.557 -17.686 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.780 -2.766 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.176 -3.473 -18.066 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.566 -0.377 -19.688 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.617 -2.135 -19.855 1.00 0.00 H new ATOM 1073 N THR A 69 3.615 0.452 -10.595 1.00 0.00 N ATOM 1074 CA THR A 69 4.276 0.375 -9.280 1.00 0.00 C ATOM 1075 C THR A 69 5.803 0.119 -9.302 1.00 0.00 C ATOM 1076 O THR A 69 6.483 0.281 -8.283 1.00 0.00 O ATOM 1077 CB THR A 69 3.477 -0.574 -8.369 1.00 0.00 C ATOM 1078 OG1 THR A 69 2.809 -1.632 -9.032 1.00 0.00 O ATOM 1079 CG2 THR A 69 2.405 0.192 -7.603 1.00 0.00 C ATOM 0 H THR A 69 3.109 1.329 -10.716 1.00 0.00 H new ATOM 0 HA THR A 69 4.251 1.376 -8.849 1.00 0.00 H new ATOM 0 HB THR A 69 4.239 -1.006 -7.721 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.096 -1.980 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.851 -0.497 -6.965 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.875 0.959 -6.987 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.720 0.663 -8.308 1.00 0.00 H new ATOM 1087 N SER A 70 6.392 -0.174 -10.455 1.00 0.00 N ATOM 1088 CA SER A 70 7.801 -0.438 -10.682 1.00 0.00 C ATOM 1089 C SER A 70 8.548 0.791 -11.199 1.00 0.00 C ATOM 1090 O SER A 70 9.774 0.781 -11.263 1.00 0.00 O ATOM 1091 CB SER A 70 7.876 -1.507 -11.775 1.00 0.00 C ATOM 1092 OG SER A 70 7.026 -1.164 -12.867 1.00 0.00 O ATOM 0 H SER A 70 5.853 -0.237 -11.319 1.00 0.00 H new ATOM 0 HA SER A 70 8.257 -0.741 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.904 -1.607 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.582 -2.474 -11.367 1.00 0.00 H new ATOM 0 HG SER A 70 7.086 -1.856 -13.558 1.00 0.00 H new ATOM 1098 N ASN A 71 7.840 1.872 -11.548 1.00 0.00 N ATOM 1099 CA ASN A 71 8.492 3.069 -12.108 1.00 0.00 C ATOM 1100 C ASN A 71 9.490 3.743 -11.170 1.00 0.00 C ATOM 1101 O ASN A 71 10.272 4.579 -11.615 1.00 0.00 O ATOM 1102 CB ASN A 71 7.499 4.080 -12.713 1.00 0.00 C ATOM 1103 CG ASN A 71 6.972 3.635 -14.074 1.00 0.00 C ATOM 1104 OD1 ASN A 71 7.699 3.068 -14.889 1.00 0.00 O ATOM 1105 ND2 ASN A 71 5.702 3.857 -14.372 1.00 0.00 N ATOM 0 H ASN A 71 6.827 1.946 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 71 9.086 2.677 -12.934 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.661 4.216 -12.029 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.988 5.049 -12.815 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.330 3.559 -15.274 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.095 4.327 -13.700 1.00 0.00 H new ATOM 1112 N ASN A 72 9.488 3.401 -9.883 1.00 0.00 N ATOM 1113 CA ASN A 72 10.409 3.945 -8.890 1.00 0.00 C ATOM 1114 C ASN A 72 11.045 2.807 -8.091 1.00 0.00 C ATOM 1115 O ASN A 72 11.615 3.061 -7.035 1.00 0.00 O ATOM 1116 CB ASN A 72 9.688 4.966 -7.986 1.00 0.00 C ATOM 1117 CG ASN A 72 9.651 6.360 -8.584 1.00 0.00 C ATOM 1118 OD1 ASN A 72 10.569 6.772 -9.280 1.00 0.00 O ATOM 1119 ND2 ASN A 72 8.597 7.111 -8.319 1.00 0.00 N ATOM 0 H ASN A 72 8.832 2.724 -9.494 1.00 0.00 H new ATOM 0 HA ASN A 72 11.213 4.481 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.668 4.627 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.188 5.004 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.536 8.056 -8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.844 6.746 -7.736 1.00 0.00 H new ATOM 1126 N ALA A 73 10.943 1.566 -8.576 1.00 0.00 N ATOM 1127 CA ALA A 73 11.436 0.337 -7.975 1.00 0.00 C ATOM 1128 C ALA A 73 12.822 0.427 -7.358 1.00 0.00 C ATOM 1129 O ALA A 73 13.036 -0.114 -6.279 1.00 0.00 O ATOM 1130 CB ALA A 73 11.454 -0.745 -9.054 1.00 0.00 C ATOM 0 H ALA A 73 10.478 1.388 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 73 10.760 0.110 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.821 -1.678 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.445 -0.893 -9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.110 -0.436 -9.868 1.00 0.00 H new ATOM 1136 N ASP A 74 13.738 1.123 -8.022 1.00 0.00 N ATOM 1137 CA ASP A 74 15.112 1.282 -7.614 1.00 0.00 C ATOM 1138 C ASP A 74 15.268 1.994 -6.278 1.00 0.00 C ATOM 1139 O ASP A 74 16.222 1.735 -5.541 1.00 0.00 O ATOM 1140 CB ASP A 74 15.815 1.984 -8.768 1.00 0.00 C ATOM 1141 CG ASP A 74 16.145 1.016 -9.910 1.00 0.00 C ATOM 1142 OD1 ASP A 74 16.571 -0.134 -9.657 1.00 0.00 O ATOM 1143 OD2 ASP A 74 15.865 1.369 -11.076 1.00 0.00 O ATOM 0 H ASP A 74 13.526 1.608 -8.894 1.00 0.00 H new ATOM 0 HA ASP A 74 15.572 0.313 -7.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.181 2.787 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.734 2.446 -8.406 1.00 0.00 H new ATOM 1148 N LYS A 75 14.353 2.912 -5.968 1.00 0.00 N ATOM 1149 CA LYS A 75 14.368 3.630 -4.701 1.00 0.00 C ATOM 1150 C LYS A 75 13.364 2.931 -3.801 1.00 0.00 C ATOM 1151 O LYS A 75 13.703 2.578 -2.684 1.00 0.00 O ATOM 1152 CB LYS A 75 13.970 5.099 -4.820 1.00 0.00 C ATOM 1153 CG LYS A 75 14.526 5.900 -6.001 1.00 0.00 C ATOM 1154 CD LYS A 75 13.444 6.116 -7.076 1.00 0.00 C ATOM 1155 CE LYS A 75 13.883 5.520 -8.401 1.00 0.00 C ATOM 1156 NZ LYS A 75 13.316 6.252 -9.555 1.00 0.00 N ATOM 0 H LYS A 75 13.586 3.175 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 75 15.386 3.620 -4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.882 5.148 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 75 14.273 5.603 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.894 6.864 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 75 15.376 5.373 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.509 5.657 -6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.251 7.182 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.971 5.535 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.575 4.475 -8.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.543 5.744 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.283 6.319 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.723 7.208 -9.593 1.00 0.00 H new ATOM 1170 N LEU A 76 12.147 2.686 -4.306 1.00 0.00 N ATOM 1171 CA LEU A 76 11.056 2.033 -3.581 1.00 0.00 C ATOM 1172 C LEU A 76 11.515 0.785 -2.839 1.00 0.00 C ATOM 1173 O LEU A 76 11.170 0.636 -1.664 1.00 0.00 O ATOM 1174 CB LEU A 76 9.863 1.707 -4.506 1.00 0.00 C ATOM 1175 CG LEU A 76 9.022 2.923 -4.934 1.00 0.00 C ATOM 1176 CD1 LEU A 76 7.883 2.520 -5.892 1.00 0.00 C ATOM 1177 CD2 LEU A 76 8.398 3.601 -3.707 1.00 0.00 C ATOM 0 H LEU A 76 11.890 2.946 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 76 10.719 2.752 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.241 1.212 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.213 0.995 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 76 9.696 3.609 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.312 3.406 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.305 2.063 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.226 1.806 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.807 4.459 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.755 2.891 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.188 3.935 -3.035 1.00 0.00 H new ATOM 1189 N ALA A 77 12.261 -0.099 -3.512 1.00 0.00 N ATOM 1190 CA ALA A 77 12.788 -1.319 -2.922 1.00 0.00 C ATOM 1191 C ALA A 77 13.694 -0.946 -1.741 1.00 0.00 C ATOM 1192 O ALA A 77 13.496 -1.426 -0.633 1.00 0.00 O ATOM 1193 CB ALA A 77 13.582 -2.116 -3.967 1.00 0.00 C ATOM 0 H ALA A 77 12.514 0.021 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 77 11.964 -1.941 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.971 -3.027 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.928 -2.377 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.411 -1.511 -4.333 1.00 0.00 H new ATOM 1199 N ALA A 78 14.686 -0.087 -1.983 1.00 0.00 N ATOM 1200 CA ALA A 78 15.661 0.353 -0.992 1.00 0.00 C ATOM 1201 C ALA A 78 15.060 1.083 0.212 1.00 0.00 C ATOM 1202 O ALA A 78 15.478 0.831 1.340 1.00 0.00 O ATOM 1203 CB ALA A 78 16.708 1.228 -1.678 1.00 0.00 C ATOM 0 H ALA A 78 14.835 0.332 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 78 16.114 -0.549 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.441 1.561 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.210 0.653 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 78 16.221 2.095 -2.124 1.00 0.00 H new ATOM 1209 N ILE A 79 14.089 1.968 -0.006 1.00 0.00 N ATOM 1210 CA ILE A 79 13.430 2.750 1.033 1.00 0.00 C ATOM 1211 C ILE A 79 12.818 1.816 2.089 1.00 0.00 C ATOM 1212 O ILE A 79 12.918 2.083 3.289 1.00 0.00 O ATOM 1213 CB ILE A 79 12.410 3.718 0.373 1.00 0.00 C ATOM 1214 CG1 ILE A 79 13.126 4.856 -0.386 1.00 0.00 C ATOM 1215 CG2 ILE A 79 11.505 4.354 1.438 1.00 0.00 C ATOM 1216 CD1 ILE A 79 12.242 5.609 -1.395 1.00 0.00 C ATOM 0 H ILE A 79 13.730 2.165 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 79 14.148 3.370 1.569 1.00 0.00 H new ATOM 0 HB ILE A 79 11.817 3.129 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.515 5.570 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.983 4.439 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 79 10.797 5.029 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 79 10.960 3.572 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.115 4.913 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 79 12.828 6.390 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 79 11.873 4.912 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.398 6.060 -0.873 1.00 0.00 H new ATOM 1228 N ALA A 80 12.171 0.730 1.665 1.00 0.00 N ATOM 1229 CA ALA A 80 11.555 -0.214 2.587 1.00 0.00 C ATOM 1230 C ALA A 80 12.512 -1.325 3.035 1.00 0.00 C ATOM 1231 O ALA A 80 12.297 -1.905 4.102 1.00 0.00 O ATOM 1232 CB ALA A 80 10.330 -0.806 1.900 1.00 0.00 C ATOM 0 H ALA A 80 12.062 0.485 0.681 1.00 0.00 H new ATOM 0 HA ALA A 80 11.276 0.319 3.496 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.847 -1.519 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.630 -0.008 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.636 -1.316 0.986 1.00 0.00 H new ATOM 1238 N ALA A 81 13.554 -1.617 2.253 1.00 0.00 N ATOM 1239 CA ALA A 81 14.545 -2.648 2.533 1.00 0.00 C ATOM 1240 C ALA A 81 15.272 -2.430 3.879 1.00 0.00 C ATOM 1241 O ALA A 81 15.193 -1.321 4.419 1.00 0.00 O ATOM 1242 CB ALA A 81 15.530 -2.692 1.379 1.00 0.00 C ATOM 0 H ALA A 81 13.733 -1.123 1.379 1.00 0.00 H new ATOM 0 HA ALA A 81 14.032 -3.605 2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.281 -3.459 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.999 -2.926 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 81 16.019 -1.723 1.280 1.00 0.00 H new ATOM 1248 N PRO A 82 15.995 -3.433 4.431 1.00 0.00 N ATOM 1249 CA PRO A 82 16.236 -4.802 3.937 1.00 0.00 C ATOM 1250 C PRO A 82 15.002 -5.713 3.891 1.00 0.00 C ATOM 1251 O PRO A 82 15.129 -6.885 3.553 1.00 0.00 O ATOM 1252 CB PRO A 82 17.323 -5.382 4.848 1.00 0.00 C ATOM 1253 CG PRO A 82 17.122 -4.645 6.161 1.00 0.00 C ATOM 1254 CD PRO A 82 16.713 -3.254 5.686 1.00 0.00 C ATOM 0 HA PRO A 82 16.536 -4.751 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 82 17.209 -6.459 4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 82 18.320 -5.211 4.441 1.00 0.00 H new ATOM 0 HG2 PRO A 82 16.351 -5.109 6.775 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.033 -4.620 6.758 1.00 0.00 H new ATOM 0 HD2 PRO A 82 16.081 -2.763 6.426 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.589 -2.621 5.544 1.00 0.00 H new ATOM 1262 N ALA A 83 13.825 -5.204 4.234 1.00 0.00 N ATOM 1263 CA ALA A 83 12.580 -5.952 4.235 1.00 0.00 C ATOM 1264 C ALA A 83 12.118 -6.299 2.814 1.00 0.00 C ATOM 1265 O ALA A 83 12.705 -5.862 1.816 1.00 0.00 O ATOM 1266 CB ALA A 83 11.519 -5.080 4.902 1.00 0.00 C ATOM 0 H ALA A 83 13.710 -4.234 4.526 1.00 0.00 H new ATOM 0 HA ALA A 83 12.731 -6.890 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.568 -5.613 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.825 -4.851 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.405 -4.153 4.341 1.00 0.00 H new ATOM 1272 N GLU A 84 11.046 -7.084 2.731 1.00 0.00 N ATOM 1273 CA GLU A 84 10.428 -7.499 1.485 1.00 0.00 C ATOM 1274 C GLU A 84 9.417 -6.433 1.060 1.00 0.00 C ATOM 1275 O GLU A 84 8.758 -5.814 1.899 1.00 0.00 O ATOM 1276 CB GLU A 84 9.657 -8.808 1.673 1.00 0.00 C ATOM 1277 CG GLU A 84 10.516 -10.073 1.647 1.00 0.00 C ATOM 1278 CD GLU A 84 9.739 -11.220 1.012 1.00 0.00 C ATOM 1279 OE1 GLU A 84 8.908 -11.874 1.678 1.00 0.00 O ATOM 1280 OE2 GLU A 84 9.919 -11.441 -0.208 1.00 0.00 O ATOM 0 H GLU A 84 10.574 -7.457 3.555 1.00 0.00 H new ATOM 0 HA GLU A 84 11.211 -7.634 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.127 -8.766 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.902 -8.883 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.432 -9.889 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.813 -10.342 2.661 1.00 0.00 H new ATOM 1287 N ILE A 85 9.241 -6.268 -0.249 1.00 0.00 N ATOM 1288 CA ILE A 85 8.320 -5.321 -0.852 1.00 0.00 C ATOM 1289 C ILE A 85 7.630 -6.015 -2.009 1.00 0.00 C ATOM 1290 O ILE A 85 8.289 -6.617 -2.853 1.00 0.00 O ATOM 1291 CB ILE A 85 9.013 -4.038 -1.336 1.00 0.00 C ATOM 1292 CG1 ILE A 85 10.474 -4.217 -1.810 1.00 0.00 C ATOM 1293 CG2 ILE A 85 8.849 -2.963 -0.266 1.00 0.00 C ATOM 1294 CD1 ILE A 85 11.532 -4.023 -0.709 1.00 0.00 C ATOM 0 H ILE A 85 9.757 -6.812 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 85 7.601 -5.007 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 85 8.515 -3.720 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.586 -5.216 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.671 -3.508 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.336 -2.045 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.789 -2.772 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.305 -3.303 0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 85 12.527 -4.167 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.453 -3.015 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.367 -4.749 0.087 1.00 0.00 H new ATOM 1306 N PHE A 86 6.311 -5.887 -2.073 1.00 0.00 N ATOM 1307 CA PHE A 86 5.467 -6.485 -3.096 1.00 0.00 C ATOM 1308 C PHE A 86 4.632 -5.390 -3.780 1.00 0.00 C ATOM 1309 O PHE A 86 4.576 -4.263 -3.278 1.00 0.00 O ATOM 1310 CB PHE A 86 4.590 -7.537 -2.403 1.00 0.00 C ATOM 1311 CG PHE A 86 5.320 -8.730 -1.789 1.00 0.00 C ATOM 1312 CD1 PHE A 86 5.830 -8.628 -0.482 1.00 0.00 C ATOM 1313 CD2 PHE A 86 5.443 -9.963 -2.464 1.00 0.00 C ATOM 1314 CE1 PHE A 86 6.431 -9.731 0.147 1.00 0.00 C ATOM 1315 CE2 PHE A 86 6.097 -11.045 -1.863 1.00 0.00 C ATOM 1316 CZ PHE A 86 6.566 -10.943 -0.545 1.00 0.00 C ATOM 0 H PHE A 86 5.782 -5.345 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 86 6.055 -6.967 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.020 -7.043 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.870 -7.914 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.758 -7.688 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.028 -10.073 -3.455 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.789 -9.646 1.162 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.241 -11.961 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.029 -11.793 -0.066 1.00 0.00 H new ATOM 1326 N LEU A 87 3.985 -5.688 -4.918 1.00 0.00 N ATOM 1327 CA LEU A 87 3.164 -4.731 -5.671 1.00 0.00 C ATOM 1328 C LEU A 87 1.774 -5.313 -5.933 1.00 0.00 C ATOM 1329 O LEU A 87 1.619 -6.529 -5.849 1.00 0.00 O ATOM 1330 CB LEU A 87 3.825 -4.438 -7.033 1.00 0.00 C ATOM 1331 CG LEU A 87 5.270 -3.909 -7.007 1.00 0.00 C ATOM 1332 CD1 LEU A 87 5.762 -3.691 -8.444 1.00 0.00 C ATOM 1333 CD2 LEU A 87 5.398 -2.613 -6.203 1.00 0.00 C ATOM 0 H LEU A 87 4.019 -6.614 -5.345 1.00 0.00 H new ATOM 0 HA LEU A 87 3.078 -3.817 -5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.810 -5.355 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.207 -3.711 -7.560 1.00 0.00 H new ATOM 0 HG LEU A 87 5.889 -4.656 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.785 -3.316 -8.425 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.731 -4.636 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.119 -2.966 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.436 -2.279 -6.214 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.765 -1.845 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.085 -2.791 -5.174 1.00 0.00 H new ATOM 1345 N LEU A 88 0.802 -4.477 -6.313 1.00 0.00 N ATOM 1346 CA LEU A 88 -0.579 -4.853 -6.629 1.00 0.00 C ATOM 1347 C LEU A 88 -0.919 -4.208 -7.979 1.00 0.00 C ATOM 1348 O LEU A 88 -0.804 -2.991 -8.120 1.00 0.00 O ATOM 1349 CB LEU A 88 -1.509 -4.376 -5.509 1.00 0.00 C ATOM 1350 CG LEU A 88 -2.923 -4.989 -5.603 1.00 0.00 C ATOM 1351 CD1 LEU A 88 -3.126 -6.122 -4.593 1.00 0.00 C ATOM 1352 CD2 LEU A 88 -3.983 -3.927 -5.330 1.00 0.00 C ATOM 0 H LEU A 88 0.964 -3.475 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.703 -5.933 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.070 -4.633 -4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.586 -3.289 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.022 -5.386 -6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.134 -6.524 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.400 -6.912 -4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.989 -5.737 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.974 -4.376 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.840 -3.519 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.894 -3.127 -6.065 1.00 0.00 H new ATOM 1364 N GLU A 89 -1.315 -5.006 -8.969 1.00 0.00 N ATOM 1365 CA GLU A 89 -1.639 -4.581 -10.333 1.00 0.00 C ATOM 1366 C GLU A 89 -3.023 -3.940 -10.516 1.00 0.00 C ATOM 1367 O GLU A 89 -3.295 -3.430 -11.601 1.00 0.00 O ATOM 1368 CB GLU A 89 -1.549 -5.824 -11.239 1.00 0.00 C ATOM 1369 CG GLU A 89 -1.197 -5.550 -12.709 1.00 0.00 C ATOM 1370 CD GLU A 89 -1.258 -6.823 -13.561 1.00 0.00 C ATOM 1371 OE1 GLU A 89 -0.406 -6.998 -14.459 1.00 0.00 O ATOM 1372 OE2 GLU A 89 -2.186 -7.655 -13.403 1.00 0.00 O ATOM 0 H GLU A 89 -1.424 -6.012 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.924 -3.799 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.801 -6.500 -10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.505 -6.347 -11.204 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.886 -4.809 -13.115 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.197 -5.122 -12.768 1.00 0.00 H new ATOM 1379 N ASP A 90 -3.906 -3.936 -9.514 1.00 0.00 N ATOM 1380 CA ASP A 90 -5.255 -3.351 -9.654 1.00 0.00 C ATOM 1381 C ASP A 90 -5.469 -2.121 -8.774 1.00 0.00 C ATOM 1382 O ASP A 90 -6.561 -1.553 -8.754 1.00 0.00 O ATOM 1383 CB ASP A 90 -6.321 -4.423 -9.379 1.00 0.00 C ATOM 1384 CG ASP A 90 -7.688 -4.145 -10.031 1.00 0.00 C ATOM 1385 OD1 ASP A 90 -7.857 -3.209 -10.853 1.00 0.00 O ATOM 1386 OD2 ASP A 90 -8.607 -4.973 -9.838 1.00 0.00 O ATOM 0 H ASP A 90 -3.717 -4.331 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.351 -3.002 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.952 -5.385 -9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.458 -4.513 -8.301 1.00 0.00 H new ATOM 1391 N GLY A 91 -4.428 -1.673 -8.062 1.00 0.00 N ATOM 1392 CA GLY A 91 -4.492 -0.523 -7.163 1.00 0.00 C ATOM 1393 C GLY A 91 -5.561 -0.722 -6.080 1.00 0.00 C ATOM 1394 O GLY A 91 -6.133 -1.806 -5.928 1.00 0.00 O ATOM 0 H GLY A 91 -3.506 -2.108 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.520 -0.371 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.714 0.377 -7.736 1.00 0.00 H new ATOM 1398 N ILE A 92 -5.847 0.320 -5.297 1.00 0.00 N ATOM 1399 CA ILE A 92 -6.863 0.219 -4.244 1.00 0.00 C ATOM 1400 C ILE A 92 -8.253 -0.046 -4.849 1.00 0.00 C ATOM 1401 O ILE A 92 -9.132 -0.589 -4.187 1.00 0.00 O ATOM 1402 CB ILE A 92 -6.749 1.436 -3.308 1.00 0.00 C ATOM 1403 CG1 ILE A 92 -7.318 1.167 -1.899 1.00 0.00 C ATOM 1404 CG2 ILE A 92 -7.241 2.748 -3.922 1.00 0.00 C ATOM 1405 CD1 ILE A 92 -8.784 1.533 -1.660 1.00 0.00 C ATOM 0 H ILE A 92 -5.397 1.233 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.691 -0.649 -3.608 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.678 1.586 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.194 0.106 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.710 1.714 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.126 3.554 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.656 2.975 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.292 2.651 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.056 1.294 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.926 2.600 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.416 0.967 -2.344 1.00 0.00 H new ATOM 1417 N ASP A 93 -8.429 0.246 -6.139 1.00 0.00 N ATOM 1418 CA ASP A 93 -9.673 0.034 -6.887 1.00 0.00 C ATOM 1419 C ASP A 93 -10.167 -1.412 -6.733 1.00 0.00 C ATOM 1420 O ASP A 93 -11.359 -1.654 -6.500 1.00 0.00 O ATOM 1421 CB ASP A 93 -9.444 0.342 -8.373 1.00 0.00 C ATOM 1422 CG ASP A 93 -10.762 0.458 -9.129 1.00 0.00 C ATOM 1423 OD1 ASP A 93 -11.292 1.589 -9.236 1.00 0.00 O ATOM 1424 OD2 ASP A 93 -11.276 -0.564 -9.634 1.00 0.00 O ATOM 0 H ASP A 93 -7.687 0.649 -6.711 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.432 0.704 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.884 1.272 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.835 -0.445 -8.819 1.00 0.00 H new ATOM 1429 N GLY A 94 -9.235 -2.370 -6.816 1.00 0.00 N ATOM 1430 CA GLY A 94 -9.496 -3.798 -6.689 1.00 0.00 C ATOM 1431 C GLY A 94 -9.911 -4.204 -5.275 1.00 0.00 C ATOM 1432 O GLY A 94 -10.659 -5.165 -5.109 1.00 0.00 O ATOM 0 H GLY A 94 -8.250 -2.160 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.282 -4.082 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.601 -4.352 -6.973 1.00 0.00 H new ATOM 1436 N TRP A 95 -9.490 -3.454 -4.253 1.00 0.00 N ATOM 1437 CA TRP A 95 -9.794 -3.719 -2.851 1.00 0.00 C ATOM 1438 C TRP A 95 -11.309 -3.796 -2.641 1.00 0.00 C ATOM 1439 O TRP A 95 -11.823 -4.773 -2.090 1.00 0.00 O ATOM 1440 CB TRP A 95 -9.114 -2.651 -1.976 1.00 0.00 C ATOM 1441 CG TRP A 95 -8.819 -3.052 -0.570 1.00 0.00 C ATOM 1442 CD1 TRP A 95 -9.590 -2.782 0.505 1.00 0.00 C ATOM 1443 CD2 TRP A 95 -7.683 -3.820 -0.071 1.00 0.00 C ATOM 1444 NE1 TRP A 95 -9.012 -3.326 1.632 1.00 0.00 N ATOM 1445 CE2 TRP A 95 -7.854 -4.018 1.333 1.00 0.00 C ATOM 1446 CE3 TRP A 95 -6.523 -4.369 -0.663 1.00 0.00 C ATOM 1447 CZ2 TRP A 95 -6.942 -4.765 2.098 1.00 0.00 C ATOM 1448 CZ3 TRP A 95 -5.654 -5.187 0.079 1.00 0.00 C ATOM 1449 CH2 TRP A 95 -5.851 -5.378 1.459 1.00 0.00 C ATOM 0 H TRP A 95 -8.913 -2.624 -4.386 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.396 -4.688 -2.551 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -8.179 -2.359 -2.454 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.751 -1.767 -1.955 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -10.516 -2.226 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -9.393 -3.229 2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -6.302 -4.157 -1.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.078 -4.867 3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.826 -5.674 -0.415 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.167 -5.993 2.025 1.00 0.00 H new ATOM 1460 N LYS A 96 -12.045 -2.773 -3.098 1.00 0.00 N ATOM 1461 CA LYS A 96 -13.503 -2.759 -2.960 1.00 0.00 C ATOM 1462 C LYS A 96 -14.125 -3.832 -3.847 1.00 0.00 C ATOM 1463 O LYS A 96 -15.040 -4.511 -3.391 1.00 0.00 O ATOM 1464 CB LYS A 96 -14.104 -1.385 -3.279 1.00 0.00 C ATOM 1465 CG LYS A 96 -13.740 -0.343 -2.213 1.00 0.00 C ATOM 1466 CD LYS A 96 -14.572 0.946 -2.305 1.00 0.00 C ATOM 1467 CE LYS A 96 -14.298 1.812 -3.544 1.00 0.00 C ATOM 1468 NZ LYS A 96 -15.031 1.386 -4.757 1.00 0.00 N ATOM 0 H LYS A 96 -11.656 -1.952 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.734 -2.975 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.747 -1.049 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.188 -1.470 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.875 -0.783 -1.225 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -12.684 -0.092 -2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.629 0.679 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.385 1.545 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.563 2.845 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.229 1.796 -3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.356 1.226 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -15.547 0.505 -4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -15.706 2.128 -5.033 1.00 0.00 H new ATOM 1482 N LYS A 97 -13.631 -4.021 -5.077 1.00 0.00 N ATOM 1483 CA LYS A 97 -14.161 -5.033 -5.997 1.00 0.00 C ATOM 1484 C LYS A 97 -14.068 -6.438 -5.395 1.00 0.00 C ATOM 1485 O LYS A 97 -14.868 -7.305 -5.742 1.00 0.00 O ATOM 1486 CB LYS A 97 -13.398 -5.004 -7.328 1.00 0.00 C ATOM 1487 CG LYS A 97 -13.668 -3.768 -8.202 1.00 0.00 C ATOM 1488 CD LYS A 97 -12.590 -3.569 -9.282 1.00 0.00 C ATOM 1489 CE LYS A 97 -12.333 -4.829 -10.118 1.00 0.00 C ATOM 1490 NZ LYS A 97 -11.101 -4.734 -10.923 1.00 0.00 N ATOM 0 H LYS A 97 -12.856 -3.479 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.210 -4.795 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.330 -5.057 -7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.656 -5.897 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.643 -3.869 -8.679 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.713 -2.881 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.893 -2.757 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.659 -3.261 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.264 -5.692 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.182 -5.001 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.140 -5.424 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.016 -3.775 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.277 -4.936 -10.322 1.00 0.00 H new ATOM 1504 N ALA A 98 -13.098 -6.681 -4.515 1.00 0.00 N ATOM 1505 CA ALA A 98 -12.903 -7.964 -3.864 1.00 0.00 C ATOM 1506 C ALA A 98 -13.716 -8.100 -2.575 1.00 0.00 C ATOM 1507 O ALA A 98 -13.853 -9.212 -2.068 1.00 0.00 O ATOM 1508 CB ALA A 98 -11.427 -8.103 -3.526 1.00 0.00 C ATOM 0 H ALA A 98 -12.417 -5.976 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.241 -8.743 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.255 -9.061 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.838 -8.053 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.129 -7.294 -2.859 1.00 0.00 H new ATOM 1514 N GLY A 99 -14.234 -7.004 -2.020 1.00 0.00 N ATOM 1515 CA GLY A 99 -15.014 -7.036 -0.788 1.00 0.00 C ATOM 1516 C GLY A 99 -14.168 -6.825 0.462 1.00 0.00 C ATOM 1517 O GLY A 99 -14.612 -7.154 1.562 1.00 0.00 O ATOM 0 H GLY A 99 -14.123 -6.070 -2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.784 -6.266 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.527 -7.995 -0.715 1.00 0.00 H new ATOM 1521 N LEU A 100 -12.935 -6.332 0.333 1.00 0.00 N ATOM 1522 CA LEU A 100 -12.063 -6.099 1.485 1.00 0.00 C ATOM 1523 C LEU A 100 -12.550 -4.843 2.256 1.00 0.00 C ATOM 1524 O LEU A 100 -13.259 -4.011 1.675 1.00 0.00 O ATOM 1525 CB LEU A 100 -10.604 -6.065 0.998 1.00 0.00 C ATOM 1526 CG LEU A 100 -10.101 -7.400 0.402 1.00 0.00 C ATOM 1527 CD1 LEU A 100 -8.675 -7.249 -0.133 1.00 0.00 C ATOM 1528 CD2 LEU A 100 -10.129 -8.534 1.435 1.00 0.00 C ATOM 0 H LEU A 100 -12.516 -6.085 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.110 -6.907 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.503 -5.283 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.961 -5.788 1.833 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.777 -7.656 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.340 -8.199 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.657 -6.487 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.011 -6.953 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.768 -9.454 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.489 -8.274 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.150 -8.681 1.787 1.00 0.00 H new ATOM 1540 N PRO A 101 -12.202 -4.674 3.547 1.00 0.00 N ATOM 1541 CA PRO A 101 -12.643 -3.549 4.384 1.00 0.00 C ATOM 1542 C PRO A 101 -11.961 -2.199 4.107 1.00 0.00 C ATOM 1543 O PRO A 101 -11.008 -2.106 3.328 1.00 0.00 O ATOM 1544 CB PRO A 101 -12.376 -4.017 5.820 1.00 0.00 C ATOM 1545 CG PRO A 101 -11.126 -4.864 5.658 1.00 0.00 C ATOM 1546 CD PRO A 101 -11.381 -5.582 4.336 1.00 0.00 C ATOM 0 HA PRO A 101 -13.689 -3.330 4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.214 -3.179 6.497 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.209 -4.594 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -10.224 -4.253 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.002 -5.565 6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.445 -5.807 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.892 -6.531 4.498 1.00 0.00 H new ATOM 1554 N VAL A 102 -12.460 -1.143 4.759 1.00 0.00 N ATOM 1555 CA VAL A 102 -11.990 0.241 4.682 1.00 0.00 C ATOM 1556 C VAL A 102 -12.003 0.906 6.066 1.00 0.00 C ATOM 1557 O VAL A 102 -12.710 0.482 6.977 1.00 0.00 O ATOM 1558 CB VAL A 102 -12.832 1.085 3.707 1.00 0.00 C ATOM 1559 CG1 VAL A 102 -12.433 0.813 2.251 1.00 0.00 C ATOM 1560 CG2 VAL A 102 -14.344 0.915 3.913 1.00 0.00 C ATOM 0 H VAL A 102 -13.252 -1.240 5.394 1.00 0.00 H new ATOM 0 HA VAL A 102 -10.967 0.200 4.308 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.610 2.128 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.044 1.423 1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.382 1.064 2.109 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -12.589 -0.241 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -14.881 1.536 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.616 -0.130 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -14.610 1.218 4.926 1.00 0.00 H new ATOM 1570 N ALA A 103 -11.224 1.979 6.192 1.00 0.00 N ATOM 1571 CA ALA A 103 -11.047 2.823 7.353 1.00 0.00 C ATOM 1572 C ALA A 103 -11.808 4.109 7.067 1.00 0.00 C ATOM 1573 O ALA A 103 -11.239 5.148 6.718 1.00 0.00 O ATOM 1574 CB ALA A 103 -9.564 3.088 7.611 1.00 0.00 C ATOM 0 H ALA A 103 -10.654 2.301 5.410 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.429 2.345 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.456 3.725 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.050 2.142 7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.127 3.586 6.745 1.00 0.00 H new ATOM 1580 N VAL A 104 -13.126 3.998 7.130 1.00 0.00 N ATOM 1581 CA VAL A 104 -14.067 5.092 6.927 1.00 0.00 C ATOM 1582 C VAL A 104 -14.569 5.547 8.301 1.00 0.00 C ATOM 1583 O VAL A 104 -14.353 4.892 9.326 1.00 0.00 O ATOM 1584 CB VAL A 104 -15.248 4.642 6.040 1.00 0.00 C ATOM 1585 CG1 VAL A 104 -14.842 4.413 4.584 1.00 0.00 C ATOM 1586 CG2 VAL A 104 -15.890 3.375 6.591 1.00 0.00 C ATOM 0 H VAL A 104 -13.588 3.111 7.331 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.572 5.918 6.416 1.00 0.00 H new ATOM 0 HB VAL A 104 -15.969 5.459 6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.713 4.098 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.447 5.339 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.077 3.638 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.719 3.078 5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.150 2.575 6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.261 3.564 7.598 1.00 0.00 H new ATOM 1596 N ASN A 105 -15.287 6.663 8.309 1.00 0.00 N ATOM 1597 CA ASN A 105 -15.881 7.254 9.503 1.00 0.00 C ATOM 1598 C ASN A 105 -17.156 6.500 9.886 1.00 0.00 C ATOM 1599 O ASN A 105 -17.495 6.449 11.066 1.00 0.00 O ATOM 1600 CB ASN A 105 -16.245 8.736 9.277 1.00 0.00 C ATOM 1601 CG ASN A 105 -17.357 8.908 8.251 1.00 0.00 C ATOM 1602 OD1 ASN A 105 -18.528 9.000 8.594 1.00 0.00 O ATOM 1603 ND2 ASN A 105 -17.026 8.899 6.973 1.00 0.00 N ATOM 0 H ASN A 105 -15.478 7.198 7.462 1.00 0.00 H new ATOM 0 HA ASN A 105 -15.142 7.184 10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -16.555 9.180 10.223 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -15.360 9.279 8.945 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -17.750 8.969 6.258 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -16.046 8.822 6.701 1.00 0.00 H new ATOM 1610 N LYS A 106 -17.827 5.884 8.912 1.00 0.00 N ATOM 1611 CA LYS A 106 -19.074 5.158 9.090 1.00 0.00 C ATOM 1612 C LYS A 106 -18.918 3.763 9.685 1.00 0.00 C ATOM 1613 O LYS A 106 -17.822 3.191 9.708 1.00 0.00 O ATOM 1614 CB LYS A 106 -19.788 5.095 7.728 1.00 0.00 C ATOM 1615 CG LYS A 106 -20.121 6.503 7.212 1.00 0.00 C ATOM 1616 CD LYS A 106 -21.033 6.497 5.984 1.00 0.00 C ATOM 1617 CE LYS A 106 -21.604 7.909 5.823 1.00 0.00 C ATOM 1618 NZ LYS A 106 -22.323 8.079 4.550 1.00 0.00 N ATOM 0 H LYS A 106 -17.501 5.880 7.945 1.00 0.00 H new ATOM 0 HA LYS A 106 -19.666 5.702 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.155 4.580 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -20.704 4.512 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.601 7.071 8.009 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -19.194 7.021 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.475 6.206 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.837 5.771 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.280 8.122 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -20.793 8.635 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.691 9.050 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -21.673 7.903 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -23.114 7.405 4.505 1.00 0.00 H new ATOM 1632 N SER A 107 -20.040 3.184 10.110 1.00 0.00 N ATOM 1633 CA SER A 107 -20.137 1.853 10.685 1.00 0.00 C ATOM 1634 C SER A 107 -21.405 1.186 10.145 1.00 0.00 C ATOM 1635 O SER A 107 -22.355 1.875 9.750 1.00 0.00 O ATOM 1636 CB SER A 107 -20.139 1.930 12.215 1.00 0.00 C ATOM 1637 OG SER A 107 -19.572 0.759 12.766 1.00 0.00 O ATOM 0 H SER A 107 -20.943 3.655 10.058 1.00 0.00 H new ATOM 0 HA SER A 107 -19.273 1.252 10.401 1.00 0.00 H new ATOM 0 HB2 SER A 107 -19.576 2.804 12.543 1.00 0.00 H new ATOM 0 HB3 SER A 107 -21.159 2.054 12.578 1.00 0.00 H new ATOM 0 HG SER A 107 -19.578 0.822 13.744 1.00 0.00 H new ATOM 1643 N GLN A 108 -21.407 -0.145 10.136 1.00 0.00 N ATOM 1644 CA GLN A 108 -22.479 -1.012 9.676 1.00 0.00 C ATOM 1645 C GLN A 108 -22.951 -1.828 10.862 1.00 0.00 C ATOM 1646 O GLN A 108 -24.178 -1.891 11.079 1.00 0.00 O ATOM 1647 CB GLN A 108 -21.963 -1.951 8.571 1.00 0.00 C ATOM 1648 CG GLN A 108 -21.528 -1.289 7.249 1.00 0.00 C ATOM 1649 CD GLN A 108 -22.646 -0.572 6.491 1.00 0.00 C ATOM 1650 OE1 GLN A 108 -22.396 0.412 5.792 1.00 0.00 O ATOM 1651 NE2 GLN A 108 -23.879 -1.040 6.589 1.00 0.00 N ATOM 0 H GLN A 108 -20.605 -0.677 10.473 1.00 0.00 H new ATOM 0 HA GLN A 108 -23.297 -0.419 9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -21.115 -2.509 8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -22.746 -2.676 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -20.735 -0.572 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -21.101 -2.053 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -24.070 -1.855 7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -24.639 -0.586 6.082 1.00 0.00 H new TER 1660 GLN A 108