USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 786 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 36 SER OG : rot 163:sc= 0.115 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 161:sc= 0.136 (180deg=-0.532) USER MOD Set 2.1: A 27 GLN : amide:sc= -5.73 K(o=-5.7,f=-6.3!) USER MOD Set 2.2: A 105 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 SER OG : rot -125:sc= 0.203 USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0.194 USER MOD Single : A 1 SER N :NH3+ -113:sc= 0.0558 (180deg=-0.206) USER MOD Single : A 7 SER OG : rot 170:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -6.21! C(o=-6.2!,f=-10!) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -2.46! X(o=-2.5!,f=-2.9) USER MOD Single : A 23 THR OG1 : rot -169:sc= 0.21 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= -1.09 (180deg=-1.22) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.13 F(o=-2.9!,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 143:sc= -2.97! USER MOD Single : A 38 MET CE :methyl 173:sc= -1.9 (180deg=-2.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0428 USER MOD Single : A 42 GLN : amide:sc= -9.3! C(o=-9.3!,f=-15!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 54 GLN :FLIP amide:sc= -9.9! C(o=-13!,f=-9.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -135:sc= -0.0145 (180deg=-0.429) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.218 K(o=-0.22,f=-3!) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc= -0.0129 (180deg=-0.11) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.53 F(o=-2.7,f=-0.53) USER MOD Single : A 72 SER OG : rot -70:sc= 1.11 USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.515 USER MOD Single : A 80 SER OG : rot -61:sc= -1.68 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 163:sc= -0.0645 (180deg=-0.334) USER MOD Single : A 84 SER OG : rot 30:sc= -3.97! USER MOD Single : A 86 MET CE :methyl 170:sc= -3.24! (180deg=-3.49!) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.88! C(o=-5.4!,f=-3.9!) USER MOD Single : A 96 LYS NZ :NH3+ -160:sc= -2.25! (180deg=-2.54!) USER MOD Single : A 103 GLN : amide:sc= -5.26! C(o=-5.3!,f=-14!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.880 -1.933 -10.616 1.00 0.00 N ATOM 2 CA SER A 1 3.980 -3.280 -9.995 1.00 0.00 C ATOM 3 C SER A 1 5.067 -3.305 -8.925 1.00 0.00 C ATOM 4 O SER A 1 6.011 -2.515 -8.967 1.00 0.00 O ATOM 5 CB SER A 1 4.281 -4.330 -11.065 1.00 0.00 C ATOM 6 OG SER A 1 4.317 -5.632 -10.505 1.00 0.00 O ATOM 0 H1 SER A 1 2.967 -1.502 -10.365 1.00 0.00 H new ATOM 0 H2 SER A 1 4.654 -1.332 -10.268 1.00 0.00 H new ATOM 0 H3 SER A 1 3.948 -2.021 -11.650 1.00 0.00 H new ATOM 0 HA SER A 1 3.025 -3.510 -9.523 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.521 -4.287 -11.845 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.237 -4.108 -11.539 1.00 0.00 H new ATOM 0 HG SER A 1 5.172 -6.058 -10.723 1.00 0.00 H new ATOM 14 N ILE A 2 4.928 -4.218 -7.968 1.00 0.00 N ATOM 15 CA ILE A 2 5.896 -4.346 -6.886 1.00 0.00 C ATOM 16 C ILE A 2 7.019 -5.314 -7.255 1.00 0.00 C ATOM 17 O ILE A 2 8.169 -5.132 -6.860 1.00 0.00 O ATOM 18 CB ILE A 2 5.226 -4.820 -5.587 1.00 0.00 C ATOM 19 CG1 ILE A 2 4.368 -3.713 -5.022 1.00 0.00 C ATOM 20 CG2 ILE A 2 6.265 -5.275 -4.575 1.00 0.00 C ATOM 21 CD1 ILE A 2 3.773 -4.036 -3.688 1.00 0.00 C ATOM 0 H ILE A 2 4.153 -4.880 -7.921 1.00 0.00 H new ATOM 0 HA ILE A 2 6.320 -3.355 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 2 4.590 -5.676 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.970 -2.809 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.564 -3.493 -5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.766 -5.606 -3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.842 -6.100 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.933 -4.446 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.170 -3.195 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.144 -4.922 -3.775 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.571 -4.227 -2.970 1.00 0.00 H new ATOM 33 N THR A 3 6.667 -6.340 -8.010 1.00 0.00 N ATOM 34 CA THR A 3 7.625 -7.353 -8.424 1.00 0.00 C ATOM 35 C THR A 3 8.805 -6.749 -9.177 1.00 0.00 C ATOM 36 O THR A 3 9.817 -7.420 -9.381 1.00 0.00 O ATOM 37 CB THR A 3 6.960 -8.426 -9.302 1.00 0.00 C ATOM 38 OG1 THR A 3 6.387 -7.822 -10.469 1.00 0.00 O ATOM 39 CG2 THR A 3 5.881 -9.160 -8.520 1.00 0.00 C ATOM 0 H THR A 3 5.718 -6.495 -8.351 1.00 0.00 H new ATOM 0 HA THR A 3 7.997 -7.816 -7.510 1.00 0.00 H new ATOM 0 HB THR A 3 7.722 -9.143 -9.607 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.967 -8.513 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.421 -9.916 -9.157 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.326 -9.641 -7.649 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.122 -8.450 -8.193 1.00 0.00 H new ATOM 47 N ASP A 4 8.684 -5.483 -9.601 1.00 0.00 N ATOM 48 CA ASP A 4 9.788 -4.803 -10.284 1.00 0.00 C ATOM 49 C ASP A 4 11.088 -5.082 -9.532 1.00 0.00 C ATOM 50 O ASP A 4 12.068 -5.554 -10.111 1.00 0.00 O ATOM 51 CB ASP A 4 9.531 -3.297 -10.359 1.00 0.00 C ATOM 52 CG ASP A 4 8.467 -2.945 -11.381 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.267 -3.065 -11.056 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.835 -2.548 -12.507 1.00 0.00 O ATOM 0 H ASP A 4 7.843 -4.917 -9.484 1.00 0.00 H new ATOM 0 HA ASP A 4 9.867 -5.182 -11.303 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.224 -2.934 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.459 -2.784 -10.613 1.00 0.00 H new ATOM 59 N ILE A 5 11.080 -4.782 -8.234 1.00 0.00 N ATOM 60 CA ILE A 5 12.220 -5.066 -7.377 1.00 0.00 C ATOM 61 C ILE A 5 11.720 -5.569 -6.025 1.00 0.00 C ATOM 62 O ILE A 5 11.424 -4.784 -5.124 1.00 0.00 O ATOM 63 CB ILE A 5 13.075 -3.804 -7.153 1.00 0.00 C ATOM 64 CG1 ILE A 5 13.421 -3.150 -8.491 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.339 -4.147 -6.380 1.00 0.00 C ATOM 66 CD1 ILE A 5 13.794 -1.691 -8.368 1.00 0.00 C ATOM 0 H ILE A 5 10.294 -4.342 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 5 12.835 -5.823 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 5 12.496 -3.093 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.249 -3.692 -8.948 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.569 -3.244 -9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.931 -3.244 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 5 14.070 -4.569 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.923 -4.875 -6.943 1.00 0.00 H new ATOM 0 HD11 ILE A 5 14.027 -1.291 -9.355 1.00 0.00 H new ATOM 0 HD12 ILE A 5 12.959 -1.137 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.665 -1.592 -7.721 1.00 0.00 H new ATOM 78 N LEU A 6 11.637 -6.888 -5.902 1.00 0.00 N ATOM 79 CA LEU A 6 11.179 -7.512 -4.667 1.00 0.00 C ATOM 80 C LEU A 6 11.307 -9.028 -4.697 1.00 0.00 C ATOM 81 O LEU A 6 11.496 -9.633 -5.753 1.00 0.00 O ATOM 82 CB LEU A 6 9.724 -7.129 -4.386 1.00 0.00 C ATOM 83 CG LEU A 6 9.510 -6.318 -3.109 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.370 -4.837 -3.424 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.290 -6.825 -2.354 1.00 0.00 C ATOM 0 H LEU A 6 11.881 -7.546 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 6 11.823 -7.141 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.344 -6.556 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.128 -8.040 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 6 10.386 -6.446 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.219 -4.281 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.276 -4.483 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.515 -4.684 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.153 -6.236 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.406 -6.731 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.436 -7.872 -2.088 1.00 0.00 H new ATOM 97 N SER A 7 11.198 -9.631 -3.520 1.00 0.00 N ATOM 98 CA SER A 7 11.231 -11.080 -3.392 1.00 0.00 C ATOM 99 C SER A 7 9.821 -11.618 -3.625 1.00 0.00 C ATOM 100 O SER A 7 8.904 -11.329 -2.855 1.00 0.00 O ATOM 101 CB SER A 7 11.743 -11.495 -2.012 1.00 0.00 C ATOM 102 OG SER A 7 13.026 -10.949 -1.759 1.00 0.00 O ATOM 0 H SER A 7 11.085 -9.134 -2.636 1.00 0.00 H new ATOM 0 HA SER A 7 11.915 -11.496 -4.132 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.044 -11.160 -1.245 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.788 -12.582 -1.949 1.00 0.00 H new ATOM 0 HG SER A 7 13.262 -11.091 -0.819 1.00 0.00 H new ATOM 108 N ALA A 8 9.655 -12.400 -4.682 1.00 0.00 N ATOM 109 CA ALA A 8 8.346 -12.937 -5.041 1.00 0.00 C ATOM 110 C ALA A 8 7.728 -13.771 -3.924 1.00 0.00 C ATOM 111 O ALA A 8 6.550 -13.618 -3.606 1.00 0.00 O ATOM 112 CB ALA A 8 8.446 -13.757 -6.318 1.00 0.00 C ATOM 0 H ALA A 8 10.410 -12.678 -5.308 1.00 0.00 H new ATOM 0 HA ALA A 8 7.685 -12.086 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.463 -14.152 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.806 -13.124 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.141 -14.583 -6.166 1.00 0.00 H new ATOM 118 N GLU A 9 8.522 -14.659 -3.337 1.00 0.00 N ATOM 119 CA GLU A 9 8.031 -15.537 -2.283 1.00 0.00 C ATOM 120 C GLU A 9 7.638 -14.744 -1.047 1.00 0.00 C ATOM 121 O GLU A 9 6.528 -14.880 -0.531 1.00 0.00 O ATOM 122 CB GLU A 9 9.109 -16.553 -1.922 1.00 0.00 C ATOM 123 CG GLU A 9 9.454 -17.483 -3.063 1.00 0.00 C ATOM 124 CD GLU A 9 10.602 -18.417 -2.735 1.00 0.00 C ATOM 125 OE1 GLU A 9 11.769 -17.992 -2.868 1.00 0.00 O ATOM 126 OE2 GLU A 9 10.336 -19.573 -2.344 1.00 0.00 O ATOM 0 H GLU A 9 9.506 -14.790 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 9 7.145 -16.054 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.009 -16.023 -1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.773 -17.143 -1.069 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.575 -18.073 -3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.713 -16.892 -3.942 1.00 0.00 H new ATOM 133 N ASP A 10 8.558 -13.917 -0.578 1.00 0.00 N ATOM 134 CA ASP A 10 8.300 -13.086 0.582 1.00 0.00 C ATOM 135 C ASP A 10 7.048 -12.263 0.404 1.00 0.00 C ATOM 136 O ASP A 10 6.358 -11.977 1.370 1.00 0.00 O ATOM 137 CB ASP A 10 9.491 -12.171 0.852 1.00 0.00 C ATOM 138 CG ASP A 10 10.750 -12.944 1.182 1.00 0.00 C ATOM 139 OD1 ASP A 10 10.943 -13.289 2.366 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.544 -13.207 0.254 1.00 0.00 O ATOM 0 H ASP A 10 9.487 -13.805 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 10 8.152 -13.746 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.671 -11.546 -0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.252 -11.502 1.679 1.00 0.00 H new ATOM 145 N ILE A 11 6.738 -11.896 -0.824 1.00 0.00 N ATOM 146 CA ILE A 11 5.549 -11.102 -1.070 1.00 0.00 C ATOM 147 C ILE A 11 4.309 -11.892 -0.645 1.00 0.00 C ATOM 148 O ILE A 11 3.456 -11.388 0.085 1.00 0.00 O ATOM 149 CB ILE A 11 5.481 -10.678 -2.563 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.164 -9.318 -2.752 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.054 -10.633 -3.108 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.208 -8.865 -4.194 1.00 0.00 C ATOM 0 H ILE A 11 7.282 -12.130 -1.655 1.00 0.00 H new ATOM 0 HA ILE A 11 5.589 -10.189 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 11 6.009 -11.442 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.638 -8.570 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.181 -9.373 -2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.074 -10.330 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.601 -11.621 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.468 -9.915 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.704 -7.896 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.760 -9.594 -4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.192 -8.778 -4.579 1.00 0.00 H new ATOM 164 N ALA A 12 4.224 -13.130 -1.111 1.00 0.00 N ATOM 165 CA ALA A 12 3.091 -13.979 -0.780 1.00 0.00 C ATOM 166 C ALA A 12 2.958 -14.119 0.714 1.00 0.00 C ATOM 167 O ALA A 12 1.901 -13.863 1.263 1.00 0.00 O ATOM 168 CB ALA A 12 3.242 -15.345 -1.417 1.00 0.00 C ATOM 0 H ALA A 12 4.921 -13.566 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 12 2.189 -13.510 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.384 -15.965 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.297 -15.237 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.154 -15.817 -1.053 1.00 0.00 H new ATOM 174 N ALA A 13 4.038 -14.498 1.377 1.00 0.00 N ATOM 175 CA ALA A 13 4.000 -14.645 2.823 1.00 0.00 C ATOM 176 C ALA A 13 3.732 -13.292 3.461 1.00 0.00 C ATOM 177 O ALA A 13 2.853 -13.141 4.308 1.00 0.00 O ATOM 178 CB ALA A 13 5.304 -15.228 3.339 1.00 0.00 C ATOM 0 H ALA A 13 4.939 -14.707 0.946 1.00 0.00 H new ATOM 0 HA ALA A 13 3.198 -15.333 3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.253 -15.329 4.423 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.467 -16.208 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.128 -14.566 3.075 1.00 0.00 H new ATOM 184 N ALA A 14 4.518 -12.314 3.030 1.00 0.00 N ATOM 185 CA ALA A 14 4.385 -10.946 3.513 1.00 0.00 C ATOM 186 C ALA A 14 2.931 -10.509 3.463 1.00 0.00 C ATOM 187 O ALA A 14 2.399 -9.964 4.430 1.00 0.00 O ATOM 188 CB ALA A 14 5.233 -9.999 2.675 1.00 0.00 C ATOM 0 H ALA A 14 5.259 -12.445 2.342 1.00 0.00 H new ATOM 0 HA ALA A 14 4.734 -10.913 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.121 -8.982 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.280 -10.296 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.906 -10.040 1.636 1.00 0.00 H new ATOM 194 N LEU A 15 2.293 -10.752 2.328 1.00 0.00 N ATOM 195 CA LEU A 15 0.899 -10.395 2.155 1.00 0.00 C ATOM 196 C LEU A 15 0.009 -11.380 2.902 1.00 0.00 C ATOM 197 O LEU A 15 -0.726 -11.003 3.807 1.00 0.00 O ATOM 198 CB LEU A 15 0.536 -10.377 0.668 1.00 0.00 C ATOM 199 CG LEU A 15 -0.779 -9.667 0.304 1.00 0.00 C ATOM 200 CD1 LEU A 15 -1.132 -9.927 -1.153 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.921 -10.101 1.211 1.00 0.00 C ATOM 0 H LEU A 15 2.721 -11.195 1.515 1.00 0.00 H new ATOM 0 HA LEU A 15 0.740 -9.397 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.348 -9.897 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.479 -11.407 0.316 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.630 -8.597 0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.065 -9.419 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.335 -9.550 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.250 -10.999 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.833 -9.578 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.073 -11.176 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.676 -9.860 2.245 1.00 0.00 H new ATOM 213 N GLN A 16 0.130 -12.655 2.546 1.00 0.00 N ATOM 214 CA GLN A 16 -0.683 -13.731 3.110 1.00 0.00 C ATOM 215 C GLN A 16 -0.447 -13.979 4.599 1.00 0.00 C ATOM 216 O GLN A 16 -1.134 -14.810 5.192 1.00 0.00 O ATOM 217 CB GLN A 16 -0.352 -15.033 2.382 1.00 0.00 C ATOM 218 CG GLN A 16 -0.832 -15.118 0.943 1.00 0.00 C ATOM 219 CD GLN A 16 -1.050 -13.787 0.258 1.00 0.00 C ATOM 220 OE1 GLN A 16 -0.161 -13.276 -0.417 1.00 0.00 O ATOM 221 NE2 GLN A 16 -2.241 -13.228 0.417 1.00 0.00 N ATOM 0 H GLN A 16 0.803 -12.976 1.850 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.720 -13.420 2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.729 -15.171 2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.786 -15.862 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.105 -15.690 0.367 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.767 -15.678 0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.949 -13.690 0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.450 -12.336 -0.031 1.00 0.00 H new ATOM 230 N GLU A 17 0.501 -13.287 5.219 1.00 0.00 N ATOM 231 CA GLU A 17 0.805 -13.577 6.609 1.00 0.00 C ATOM 232 C GLU A 17 -0.354 -13.253 7.544 1.00 0.00 C ATOM 233 O GLU A 17 -1.038 -14.156 8.025 1.00 0.00 O ATOM 234 CB GLU A 17 2.067 -12.805 7.033 1.00 0.00 C ATOM 235 CG GLU A 17 2.267 -12.687 8.536 1.00 0.00 C ATOM 236 CD GLU A 17 3.630 -12.133 8.903 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.804 -10.898 8.846 1.00 0.00 O ATOM 238 OE2 GLU A 17 4.523 -12.935 9.249 1.00 0.00 O ATOM 0 H GLU A 17 1.056 -12.544 4.795 1.00 0.00 H new ATOM 0 HA GLU A 17 0.981 -14.650 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.939 -13.297 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.023 -11.803 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.493 -12.042 8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.143 -13.669 8.993 1.00 0.00 H new ATOM 245 N CYS A 18 -0.574 -11.978 7.803 1.00 0.00 N ATOM 246 CA CYS A 18 -1.635 -11.538 8.695 1.00 0.00 C ATOM 247 C CYS A 18 -2.791 -10.873 7.954 1.00 0.00 C ATOM 248 O CYS A 18 -3.711 -10.360 8.592 1.00 0.00 O ATOM 249 CB CYS A 18 -1.063 -10.587 9.745 1.00 0.00 C ATOM 250 SG CYS A 18 -1.259 -11.163 11.447 1.00 0.00 S ATOM 0 H CYS A 18 -0.024 -11.218 7.403 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.042 -12.426 9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.002 -10.436 9.544 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.548 -9.616 9.643 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.742 -10.292 12.262 1.00 0.00 H new ATOM 256 N GLN A 19 -2.756 -10.871 6.620 1.00 0.00 N ATOM 257 CA GLN A 19 -3.762 -10.142 5.840 1.00 0.00 C ATOM 258 C GLN A 19 -5.174 -10.337 6.381 1.00 0.00 C ATOM 259 O GLN A 19 -5.559 -11.419 6.823 1.00 0.00 O ATOM 260 CB GLN A 19 -3.733 -10.589 4.380 1.00 0.00 C ATOM 261 CG GLN A 19 -4.664 -9.793 3.484 1.00 0.00 C ATOM 262 CD GLN A 19 -4.916 -10.469 2.150 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.925 -11.696 2.054 1.00 0.00 O ATOM 264 NE2 GLN A 19 -5.114 -9.668 1.108 1.00 0.00 N ATOM 0 H GLN A 19 -2.054 -11.358 6.063 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.507 -9.085 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.715 -10.501 4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.003 -11.644 4.326 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.615 -9.644 3.996 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.237 -8.805 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.098 -8.656 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.282 -10.066 0.184 1.00 0.00 H new ATOM 273 N ASP A 20 -5.924 -9.241 6.328 1.00 0.00 N ATOM 274 CA ASP A 20 -7.292 -9.193 6.813 1.00 0.00 C ATOM 275 C ASP A 20 -7.802 -7.758 6.737 1.00 0.00 C ATOM 276 O ASP A 20 -7.054 -6.852 6.371 1.00 0.00 O ATOM 277 CB ASP A 20 -7.354 -9.714 8.249 1.00 0.00 C ATOM 278 CG ASP A 20 -8.015 -11.076 8.346 1.00 0.00 C ATOM 279 OD1 ASP A 20 -9.254 -11.150 8.211 1.00 0.00 O ATOM 280 OD2 ASP A 20 -7.290 -12.071 8.553 1.00 0.00 O ATOM 0 H ASP A 20 -5.594 -8.356 5.944 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.925 -9.827 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.344 -9.775 8.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.903 -9.003 8.867 1.00 0.00 H new ATOM 285 N PRO A 21 -9.075 -7.522 7.078 1.00 0.00 N ATOM 286 CA PRO A 21 -9.651 -6.186 7.041 1.00 0.00 C ATOM 287 C PRO A 21 -9.290 -5.347 8.262 1.00 0.00 C ATOM 288 O PRO A 21 -10.179 -4.811 8.915 1.00 0.00 O ATOM 289 CB PRO A 21 -11.143 -6.476 7.009 1.00 0.00 C ATOM 290 CG PRO A 21 -11.296 -7.728 7.785 1.00 0.00 C ATOM 291 CD PRO A 21 -10.064 -8.531 7.502 1.00 0.00 C ATOM 0 HA PRO A 21 -9.285 -5.601 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.715 -5.662 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.502 -6.597 5.987 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.392 -7.519 8.851 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.194 -8.268 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.728 -9.073 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.240 -9.271 6.722 1.00 0.00 H new ATOM 299 N ASP A 22 -7.977 -5.235 8.551 1.00 0.00 N ATOM 300 CA ASP A 22 -7.478 -4.446 9.707 1.00 0.00 C ATOM 301 C ASP A 22 -6.044 -4.839 10.152 1.00 0.00 C ATOM 302 O ASP A 22 -5.528 -4.276 11.117 1.00 0.00 O ATOM 303 CB ASP A 22 -8.439 -4.577 10.910 1.00 0.00 C ATOM 304 CG ASP A 22 -7.899 -3.971 12.196 1.00 0.00 C ATOM 305 OD1 ASP A 22 -7.497 -2.789 12.175 1.00 0.00 O ATOM 306 OD2 ASP A 22 -7.872 -4.685 13.220 1.00 0.00 O ATOM 0 H ASP A 22 -7.240 -5.679 8.003 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.438 -3.412 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.385 -4.095 10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.653 -5.632 11.079 1.00 0.00 H new ATOM 311 N THR A 23 -5.381 -5.767 9.459 1.00 0.00 N ATOM 312 CA THR A 23 -4.044 -6.186 9.872 1.00 0.00 C ATOM 313 C THR A 23 -2.917 -5.440 9.158 1.00 0.00 C ATOM 314 O THR A 23 -1.984 -4.991 9.814 1.00 0.00 O ATOM 315 CB THR A 23 -3.855 -7.687 9.629 1.00 0.00 C ATOM 316 OG1 THR A 23 -4.138 -7.999 8.259 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.760 -8.497 10.541 1.00 0.00 C ATOM 0 H THR A 23 -5.740 -6.234 8.626 1.00 0.00 H new ATOM 0 HA THR A 23 -3.980 -5.947 10.934 1.00 0.00 H new ATOM 0 HB THR A 23 -2.820 -7.945 9.851 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.187 -8.972 8.148 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.610 -9.560 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.520 -8.276 11.581 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.800 -8.237 10.345 1.00 0.00 H new ATOM 325 N PHE A 24 -3.041 -5.291 7.829 1.00 0.00 N ATOM 326 CA PHE A 24 -2.024 -4.638 6.972 1.00 0.00 C ATOM 327 C PHE A 24 -1.843 -5.445 5.695 1.00 0.00 C ATOM 328 O PHE A 24 -0.832 -6.124 5.522 1.00 0.00 O ATOM 329 CB PHE A 24 -0.637 -4.512 7.641 1.00 0.00 C ATOM 330 CG PHE A 24 -0.419 -3.229 8.405 1.00 0.00 C ATOM 331 CD1 PHE A 24 -0.610 -2.002 7.792 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.005 -3.253 9.729 1.00 0.00 C ATOM 333 CE1 PHE A 24 -0.397 -0.824 8.484 1.00 0.00 C ATOM 334 CE2 PHE A 24 0.208 -2.079 10.426 1.00 0.00 C ATOM 335 CZ PHE A 24 0.012 -0.863 9.802 1.00 0.00 C ATOM 0 H PHE A 24 -3.855 -5.621 7.310 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.397 -3.633 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.500 -5.352 8.322 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.131 -4.596 6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.929 -1.965 6.761 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.153 -4.201 10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.550 0.126 7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.527 -2.113 11.457 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.178 0.056 10.344 1.00 0.00 H new ATOM 345 N GLU A 25 -2.814 -5.378 4.800 1.00 0.00 N ATOM 346 CA GLU A 25 -2.730 -6.132 3.561 1.00 0.00 C ATOM 347 C GLU A 25 -1.714 -5.533 2.588 1.00 0.00 C ATOM 348 O GLU A 25 -0.941 -6.264 1.971 1.00 0.00 O ATOM 349 CB GLU A 25 -4.096 -6.204 2.892 1.00 0.00 C ATOM 350 CG GLU A 25 -5.223 -6.519 3.853 1.00 0.00 C ATOM 351 CD GLU A 25 -6.562 -6.662 3.157 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.035 -5.666 2.569 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.138 -7.769 3.202 1.00 0.00 O ATOM 0 H GLU A 25 -3.659 -4.817 4.905 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.392 -7.136 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.302 -5.253 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.070 -6.965 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.994 -7.442 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.289 -5.729 4.601 1.00 0.00 H new ATOM 360 N PRO A 26 -1.697 -4.199 2.434 1.00 0.00 N ATOM 361 CA PRO A 26 -0.777 -3.535 1.522 1.00 0.00 C ATOM 362 C PRO A 26 0.603 -3.256 2.127 1.00 0.00 C ATOM 363 O PRO A 26 1.621 -3.702 1.603 1.00 0.00 O ATOM 364 CB PRO A 26 -1.488 -2.223 1.207 1.00 0.00 C ATOM 365 CG PRO A 26 -2.361 -1.944 2.378 1.00 0.00 C ATOM 366 CD PRO A 26 -2.582 -3.243 3.113 1.00 0.00 C ATOM 0 HA PRO A 26 -0.566 -4.160 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.771 -1.417 1.053 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.075 -2.306 0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.895 -1.209 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -3.312 -1.523 2.053 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.331 -3.150 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.624 -3.558 3.059 1.00 0.00 H new ATOM 374 N GLN A 27 0.631 -2.511 3.225 1.00 0.00 N ATOM 375 CA GLN A 27 1.863 -2.140 3.882 1.00 0.00 C ATOM 376 C GLN A 27 2.708 -3.359 4.284 1.00 0.00 C ATOM 377 O GLN A 27 3.937 -3.314 4.216 1.00 0.00 O ATOM 378 CB GLN A 27 1.505 -1.250 5.081 1.00 0.00 C ATOM 379 CG GLN A 27 2.459 -1.347 6.249 1.00 0.00 C ATOM 380 CD GLN A 27 2.339 -0.197 7.237 1.00 0.00 C ATOM 381 OE1 GLN A 27 2.371 -0.407 8.449 1.00 0.00 O ATOM 382 NE2 GLN A 27 2.238 1.029 6.731 1.00 0.00 N ATOM 0 H GLN A 27 -0.207 -2.149 3.681 1.00 0.00 H new ATOM 0 HA GLN A 27 2.495 -1.585 3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.466 -0.213 4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.504 -1.512 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.281 -2.285 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.480 -1.383 5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.214 1.163 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.184 1.835 7.354 1.00 0.00 H new ATOM 391 N LYS A 28 2.058 -4.440 4.701 1.00 0.00 N ATOM 392 CA LYS A 28 2.784 -5.638 5.109 1.00 0.00 C ATOM 393 C LYS A 28 3.439 -6.283 3.894 1.00 0.00 C ATOM 394 O LYS A 28 4.573 -6.755 3.952 1.00 0.00 O ATOM 395 CB LYS A 28 1.848 -6.629 5.800 1.00 0.00 C ATOM 396 CG LYS A 28 2.578 -7.783 6.456 1.00 0.00 C ATOM 397 CD LYS A 28 1.623 -8.740 7.146 1.00 0.00 C ATOM 398 CE LYS A 28 0.807 -8.040 8.222 1.00 0.00 C ATOM 399 NZ LYS A 28 -0.530 -7.626 7.719 1.00 0.00 N ATOM 0 H LYS A 28 1.043 -4.512 4.765 1.00 0.00 H new ATOM 0 HA LYS A 28 3.559 -5.352 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.264 -6.102 6.554 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.143 -7.023 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.152 -8.323 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.291 -7.395 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.952 -9.180 6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.187 -9.559 7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.684 -8.706 9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.349 -7.164 8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.023 -7.079 8.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.414 -7.039 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.089 -8.471 7.483 1.00 0.00 H new ATOM 413 N PHE A 29 2.698 -6.291 2.797 1.00 0.00 N ATOM 414 CA PHE A 29 3.169 -6.839 1.533 1.00 0.00 C ATOM 415 C PHE A 29 4.532 -6.252 1.182 1.00 0.00 C ATOM 416 O PHE A 29 5.453 -6.961 0.778 1.00 0.00 O ATOM 417 CB PHE A 29 2.145 -6.477 0.447 1.00 0.00 C ATOM 418 CG PHE A 29 2.412 -7.033 -0.926 1.00 0.00 C ATOM 419 CD1 PHE A 29 3.552 -6.690 -1.636 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.492 -7.880 -1.517 1.00 0.00 C ATOM 421 CE1 PHE A 29 3.762 -7.189 -2.910 1.00 0.00 C ATOM 422 CE2 PHE A 29 1.700 -8.382 -2.785 1.00 0.00 C ATOM 423 CZ PHE A 29 2.836 -8.036 -3.482 1.00 0.00 C ATOM 0 H PHE A 29 1.750 -5.917 2.757 1.00 0.00 H new ATOM 0 HA PHE A 29 3.274 -7.921 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.164 -6.822 0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.093 -5.391 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.282 -6.029 -1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.597 -8.153 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.652 -6.915 -3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.973 -9.045 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.002 -8.427 -4.475 1.00 0.00 H new ATOM 433 N PHE A 30 4.631 -4.943 1.345 1.00 0.00 N ATOM 434 CA PHE A 30 5.839 -4.206 1.032 1.00 0.00 C ATOM 435 C PHE A 30 6.949 -4.442 2.051 1.00 0.00 C ATOM 436 O PHE A 30 8.038 -4.894 1.713 1.00 0.00 O ATOM 437 CB PHE A 30 5.520 -2.717 0.986 1.00 0.00 C ATOM 438 CG PHE A 30 4.193 -2.390 0.370 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.622 -3.217 -0.584 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.514 -1.247 0.759 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.393 -2.903 -1.134 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.290 -0.931 0.211 1.00 0.00 C ATOM 443 CZ PHE A 30 1.727 -1.759 -0.736 1.00 0.00 C ATOM 0 H PHE A 30 3.872 -4.362 1.700 1.00 0.00 H new ATOM 0 HA PHE A 30 6.196 -4.562 0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.544 -2.321 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.303 -2.206 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.139 -4.111 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.950 -0.595 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.953 -3.553 -1.876 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.773 -0.036 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.767 -1.514 -1.166 1.00 0.00 H new ATOM 453 N GLN A 31 6.625 -4.172 3.308 1.00 0.00 N ATOM 454 CA GLN A 31 7.586 -4.236 4.403 1.00 0.00 C ATOM 455 C GLN A 31 8.326 -5.556 4.508 1.00 0.00 C ATOM 456 O GLN A 31 9.537 -5.619 4.291 1.00 0.00 O ATOM 457 CB GLN A 31 6.859 -3.966 5.723 1.00 0.00 C ATOM 458 CG GLN A 31 7.744 -3.350 6.787 1.00 0.00 C ATOM 459 CD GLN A 31 7.965 -1.875 6.545 1.00 0.00 C ATOM 460 OE1 GLN A 31 8.920 -1.560 5.685 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 7.272 -1.028 7.109 1.00 0.00 N flip ATOM 0 H GLN A 31 5.686 -3.901 3.599 1.00 0.00 H new ATOM 0 HA GLN A 31 8.340 -3.478 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.016 -3.302 5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.449 -4.903 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.289 -3.494 7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.705 -3.864 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.547 -1.317 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.423 -0.037 6.920 1.00 0.00 H new ATOM 470 N THR A 32 7.608 -6.600 4.840 1.00 0.00 N ATOM 471 CA THR A 32 8.221 -7.906 5.018 1.00 0.00 C ATOM 472 C THR A 32 9.091 -8.307 3.826 1.00 0.00 C ATOM 473 O THR A 32 10.276 -8.606 3.985 1.00 0.00 O ATOM 474 CB THR A 32 7.154 -8.988 5.275 1.00 0.00 C ATOM 475 OG1 THR A 32 6.448 -8.694 6.486 1.00 0.00 O ATOM 476 CG2 THR A 32 7.779 -10.374 5.376 1.00 0.00 C ATOM 0 H THR A 32 6.600 -6.578 4.994 1.00 0.00 H new ATOM 0 HA THR A 32 8.869 -7.828 5.891 1.00 0.00 H new ATOM 0 HB THR A 32 6.464 -8.985 4.431 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.770 -9.383 6.645 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.998 -11.113 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.293 -10.610 4.444 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.494 -10.392 6.199 1.00 0.00 H new ATOM 484 N SER A 33 8.502 -8.314 2.638 1.00 0.00 N ATOM 485 CA SER A 33 9.214 -8.730 1.432 1.00 0.00 C ATOM 486 C SER A 33 10.112 -7.662 0.814 1.00 0.00 C ATOM 487 O SER A 33 11.316 -7.871 0.656 1.00 0.00 O ATOM 488 CB SER A 33 8.223 -9.229 0.384 1.00 0.00 C ATOM 489 OG SER A 33 8.900 -9.682 -0.775 1.00 0.00 O ATOM 0 H SER A 33 7.533 -8.037 2.481 1.00 0.00 H new ATOM 0 HA SER A 33 9.881 -9.529 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.624 -10.039 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.534 -8.427 0.118 1.00 0.00 H new ATOM 0 HG SER A 33 8.442 -10.471 -1.134 1.00 0.00 H new ATOM 495 N GLY A 34 9.531 -6.519 0.464 1.00 0.00 N ATOM 496 CA GLY A 34 10.297 -5.513 -0.246 1.00 0.00 C ATOM 497 C GLY A 34 10.879 -4.367 0.560 1.00 0.00 C ATOM 498 O GLY A 34 12.092 -4.263 0.709 1.00 0.00 O ATOM 0 H GLY A 34 8.560 -6.274 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.119 -6.016 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.656 -5.088 -1.018 1.00 0.00 H new ATOM 502 N LEU A 35 10.017 -3.528 1.108 1.00 0.00 N ATOM 503 CA LEU A 35 10.452 -2.339 1.823 1.00 0.00 C ATOM 504 C LEU A 35 11.582 -2.642 2.806 1.00 0.00 C ATOM 505 O LEU A 35 12.475 -1.817 3.005 1.00 0.00 O ATOM 506 CB LEU A 35 9.253 -1.721 2.539 1.00 0.00 C ATOM 507 CG LEU A 35 8.684 -0.463 1.883 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.519 -0.670 0.386 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.357 -0.081 2.521 1.00 0.00 C ATOM 0 H LEU A 35 9.005 -3.649 1.071 1.00 0.00 H new ATOM 0 HA LEU A 35 10.853 -1.628 1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.462 -2.469 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.545 -1.479 3.561 1.00 0.00 H new ATOM 0 HG LEU A 35 9.387 0.355 2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.113 0.236 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.488 -0.893 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.837 -1.501 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.968 0.817 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.645 -0.897 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.506 0.111 3.583 1.00 0.00 H new ATOM 521 N SER A 36 11.529 -3.819 3.420 1.00 0.00 N ATOM 522 CA SER A 36 12.546 -4.254 4.384 1.00 0.00 C ATOM 523 C SER A 36 13.959 -3.748 4.055 1.00 0.00 C ATOM 524 O SER A 36 14.669 -3.287 4.948 1.00 0.00 O ATOM 525 CB SER A 36 12.559 -5.781 4.470 1.00 0.00 C ATOM 526 OG SER A 36 13.563 -6.231 5.362 1.00 0.00 O ATOM 0 H SER A 36 10.785 -4.500 3.268 1.00 0.00 H new ATOM 0 HA SER A 36 12.270 -3.816 5.343 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.585 -6.138 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.731 -6.203 3.480 1.00 0.00 H new ATOM 0 HG SER A 36 13.385 -7.161 5.613 1.00 0.00 H new ATOM 532 N LYS A 37 14.373 -3.830 2.791 1.00 0.00 N ATOM 533 CA LYS A 37 15.714 -3.379 2.416 1.00 0.00 C ATOM 534 C LYS A 37 15.787 -2.889 0.969 1.00 0.00 C ATOM 535 O LYS A 37 16.622 -3.355 0.194 1.00 0.00 O ATOM 536 CB LYS A 37 16.692 -4.527 2.611 1.00 0.00 C ATOM 537 CG LYS A 37 16.555 -5.216 3.949 1.00 0.00 C ATOM 538 CD LYS A 37 17.541 -6.352 4.062 1.00 0.00 C ATOM 539 CE LYS A 37 17.015 -7.467 4.952 1.00 0.00 C ATOM 540 NZ LYS A 37 15.829 -8.143 4.356 1.00 0.00 N ATOM 0 H LYS A 37 13.812 -4.197 2.022 1.00 0.00 H new ATOM 0 HA LYS A 37 15.970 -2.534 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.543 -5.259 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.709 -4.149 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.724 -4.499 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.540 -5.595 4.067 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.754 -6.749 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.482 -5.978 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.804 -8.200 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.748 -7.058 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.697 -9.072 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.982 -7.560 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.979 -8.270 3.335 1.00 0.00 H new ATOM 554 N MET A 38 14.919 -1.953 0.608 1.00 0.00 N ATOM 555 CA MET A 38 14.906 -1.414 -0.744 1.00 0.00 C ATOM 556 C MET A 38 15.151 0.095 -0.769 1.00 0.00 C ATOM 557 O MET A 38 14.811 0.809 0.175 1.00 0.00 O ATOM 558 CB MET A 38 13.571 -1.732 -1.391 1.00 0.00 C ATOM 559 CG MET A 38 13.282 -3.218 -1.466 1.00 0.00 C ATOM 560 SD MET A 38 14.028 -4.011 -2.903 1.00 0.00 S ATOM 561 CE MET A 38 13.498 -5.705 -2.665 1.00 0.00 C ATOM 0 H MET A 38 14.217 -1.553 1.231 1.00 0.00 H new ATOM 0 HA MET A 38 15.719 -1.880 -1.300 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.776 -1.242 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.554 -1.314 -2.397 1.00 0.00 H new ATOM 0 HG2 MET A 38 13.650 -3.700 -0.560 1.00 0.00 H new ATOM 0 HG3 MET A 38 12.203 -3.372 -1.493 1.00 0.00 H new ATOM 0 HE1 MET A 38 13.774 -6.298 -3.537 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.981 -6.116 -1.778 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.416 -5.733 -2.535 1.00 0.00 H new ATOM 571 N SER A 39 15.750 0.570 -1.865 1.00 0.00 N ATOM 572 CA SER A 39 16.046 1.989 -2.038 1.00 0.00 C ATOM 573 C SER A 39 14.773 2.795 -2.293 1.00 0.00 C ATOM 574 O SER A 39 13.705 2.224 -2.475 1.00 0.00 O ATOM 575 CB SER A 39 17.026 2.186 -3.194 1.00 0.00 C ATOM 576 OG SER A 39 18.220 1.451 -2.983 1.00 0.00 O ATOM 0 H SER A 39 16.040 -0.015 -2.649 1.00 0.00 H new ATOM 0 HA SER A 39 16.499 2.351 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.561 1.869 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.261 3.245 -3.299 1.00 0.00 H new ATOM 0 HG SER A 39 18.829 1.593 -3.737 1.00 0.00 H new ATOM 582 N ALA A 40 14.904 4.122 -2.290 1.00 0.00 N ATOM 583 CA ALA A 40 13.769 5.027 -2.514 1.00 0.00 C ATOM 584 C ALA A 40 13.146 4.881 -3.911 1.00 0.00 C ATOM 585 O ALA A 40 11.924 4.868 -4.056 1.00 0.00 O ATOM 586 CB ALA A 40 14.191 6.470 -2.280 1.00 0.00 C ATOM 0 H ALA A 40 15.791 4.600 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 40 13.000 4.744 -1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.340 7.130 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.541 6.585 -1.254 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.995 6.730 -2.969 1.00 0.00 H new ATOM 592 N SER A 41 13.991 4.799 -4.936 1.00 0.00 N ATOM 593 CA SER A 41 13.526 4.695 -6.319 1.00 0.00 C ATOM 594 C SER A 41 12.486 3.598 -6.515 1.00 0.00 C ATOM 595 O SER A 41 11.364 3.865 -6.944 1.00 0.00 O ATOM 596 CB SER A 41 14.713 4.443 -7.249 1.00 0.00 C ATOM 597 OG SER A 41 15.483 3.340 -6.806 1.00 0.00 O ATOM 0 H SER A 41 15.006 4.803 -4.835 1.00 0.00 H new ATOM 0 HA SER A 41 13.046 5.643 -6.562 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.353 4.256 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.340 5.334 -7.293 1.00 0.00 H new ATOM 0 HG SER A 41 16.235 3.199 -7.419 1.00 0.00 H new ATOM 603 N GLN A 42 12.859 2.367 -6.202 1.00 0.00 N ATOM 604 CA GLN A 42 11.954 1.233 -6.373 1.00 0.00 C ATOM 605 C GLN A 42 10.645 1.460 -5.631 1.00 0.00 C ATOM 606 O GLN A 42 9.603 0.924 -6.004 1.00 0.00 O ATOM 607 CB GLN A 42 12.611 -0.051 -5.891 1.00 0.00 C ATOM 608 CG GLN A 42 12.861 -0.069 -4.404 1.00 0.00 C ATOM 609 CD GLN A 42 11.663 -0.560 -3.616 1.00 0.00 C ATOM 610 OE1 GLN A 42 10.848 0.228 -3.139 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.547 -1.876 -3.487 1.00 0.00 N ATOM 0 H GLN A 42 13.777 2.125 -5.830 1.00 0.00 H new ATOM 0 HA GLN A 42 11.733 1.139 -7.436 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.978 -0.897 -6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.558 -0.185 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.718 -0.709 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 42 13.123 0.935 -4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.247 -2.493 -3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.758 -2.271 -2.976 1.00 0.00 H new ATOM 620 N VAL A 43 10.707 2.280 -4.597 1.00 0.00 N ATOM 621 CA VAL A 43 9.521 2.567 -3.805 1.00 0.00 C ATOM 622 C VAL A 43 8.438 3.138 -4.704 1.00 0.00 C ATOM 623 O VAL A 43 7.265 2.805 -4.568 1.00 0.00 O ATOM 624 CB VAL A 43 9.791 3.559 -2.667 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.617 3.586 -1.708 1.00 0.00 C ATOM 626 CG2 VAL A 43 11.073 3.210 -1.939 1.00 0.00 C ATOM 0 H VAL A 43 11.555 2.755 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 43 9.204 1.626 -3.356 1.00 0.00 H new ATOM 0 HB VAL A 43 9.912 4.554 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.820 4.294 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.718 3.892 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.468 2.592 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.243 3.928 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.991 2.208 -1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.909 3.243 -2.638 1.00 0.00 H new ATOM 636 N LYS A 44 8.839 4.009 -5.622 1.00 0.00 N ATOM 637 CA LYS A 44 7.898 4.591 -6.567 1.00 0.00 C ATOM 638 C LYS A 44 7.153 3.483 -7.294 1.00 0.00 C ATOM 639 O LYS A 44 5.942 3.561 -7.488 1.00 0.00 O ATOM 640 CB LYS A 44 8.624 5.481 -7.575 1.00 0.00 C ATOM 641 CG LYS A 44 8.931 6.873 -7.053 1.00 0.00 C ATOM 642 CD LYS A 44 10.301 7.352 -7.510 1.00 0.00 C ATOM 643 CE LYS A 44 10.480 7.197 -9.012 1.00 0.00 C ATOM 644 NZ LYS A 44 11.806 7.692 -9.471 1.00 0.00 N ATOM 0 H LYS A 44 9.803 4.325 -5.731 1.00 0.00 H new ATOM 0 HA LYS A 44 7.186 5.207 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.557 4.998 -7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.015 5.567 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.167 7.569 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.890 6.871 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.431 8.399 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.076 6.787 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.372 6.147 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.691 7.743 -9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.886 7.567 -10.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.900 8.701 -9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.560 7.154 -8.998 1.00 0.00 H new ATOM 658 N ASP A 45 7.894 2.452 -7.691 1.00 0.00 N ATOM 659 CA ASP A 45 7.317 1.307 -8.374 1.00 0.00 C ATOM 660 C ASP A 45 6.476 0.498 -7.398 1.00 0.00 C ATOM 661 O ASP A 45 5.351 0.106 -7.702 1.00 0.00 O ATOM 662 CB ASP A 45 8.427 0.434 -8.958 1.00 0.00 C ATOM 663 CG ASP A 45 8.471 0.482 -10.474 1.00 0.00 C ATOM 664 OD1 ASP A 45 7.789 -0.347 -11.113 1.00 0.00 O ATOM 665 OD2 ASP A 45 9.185 1.348 -11.020 1.00 0.00 O ATOM 0 H ASP A 45 8.902 2.390 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 45 6.681 1.658 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.388 0.760 -8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.281 -0.597 -8.635 1.00 0.00 H new ATOM 670 N ILE A 46 7.040 0.252 -6.220 1.00 0.00 N ATOM 671 CA ILE A 46 6.357 -0.485 -5.177 1.00 0.00 C ATOM 672 C ILE A 46 5.033 0.201 -4.831 1.00 0.00 C ATOM 673 O ILE A 46 3.962 -0.401 -4.921 1.00 0.00 O ATOM 674 CB ILE A 46 7.287 -0.613 -3.942 1.00 0.00 C ATOM 675 CG1 ILE A 46 8.201 -1.823 -4.109 1.00 0.00 C ATOM 676 CG2 ILE A 46 6.518 -0.712 -2.631 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.867 -1.924 -5.468 1.00 0.00 C ATOM 0 H ILE A 46 7.979 0.559 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 46 6.120 -1.491 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 46 7.881 0.299 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.974 -1.788 -3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.620 -2.729 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.221 -0.800 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.910 0.182 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.872 -1.590 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.498 -2.812 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.104 -1.994 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.479 -1.038 -5.640 1.00 0.00 H new ATOM 689 N PHE A 47 5.126 1.464 -4.435 1.00 0.00 N ATOM 690 CA PHE A 47 3.961 2.264 -4.078 1.00 0.00 C ATOM 691 C PHE A 47 2.815 2.069 -5.063 1.00 0.00 C ATOM 692 O PHE A 47 1.643 2.168 -4.701 1.00 0.00 O ATOM 693 CB PHE A 47 4.369 3.730 -4.053 1.00 0.00 C ATOM 694 CG PHE A 47 3.265 4.666 -3.682 1.00 0.00 C ATOM 695 CD1 PHE A 47 2.296 4.300 -2.767 1.00 0.00 C ATOM 696 CD2 PHE A 47 3.190 5.915 -4.266 1.00 0.00 C ATOM 697 CE1 PHE A 47 1.277 5.172 -2.445 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.167 6.782 -3.947 1.00 0.00 C ATOM 699 CZ PHE A 47 1.219 6.408 -3.037 1.00 0.00 C ATOM 0 H PHE A 47 6.012 1.963 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 47 3.608 1.943 -3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.189 3.855 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.750 4.007 -5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.337 3.326 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.941 6.216 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.525 4.882 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.115 7.754 -4.415 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.420 7.089 -2.783 1.00 0.00 H new ATOM 709 N ARG A 48 3.168 1.793 -6.309 1.00 0.00 N ATOM 710 CA ARG A 48 2.171 1.594 -7.360 1.00 0.00 C ATOM 711 C ARG A 48 1.133 0.555 -6.951 1.00 0.00 C ATOM 712 O ARG A 48 -0.014 0.605 -7.396 1.00 0.00 O ATOM 713 CB ARG A 48 2.834 1.163 -8.667 1.00 0.00 C ATOM 714 CG ARG A 48 3.848 2.159 -9.189 1.00 0.00 C ATOM 715 CD ARG A 48 3.271 3.566 -9.247 1.00 0.00 C ATOM 716 NE ARG A 48 4.237 4.530 -9.769 1.00 0.00 N ATOM 717 CZ ARG A 48 3.898 5.690 -10.322 1.00 0.00 C ATOM 718 NH1 ARG A 48 2.621 6.037 -10.416 1.00 0.00 N ATOM 719 NH2 ARG A 48 4.837 6.509 -10.778 1.00 0.00 N ATOM 0 H ARG A 48 4.135 1.701 -6.621 1.00 0.00 H new ATOM 0 HA ARG A 48 1.669 2.549 -7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.326 0.202 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.063 1.011 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.729 2.152 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.176 1.858 -10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.381 3.568 -9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.957 3.871 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 48 5.229 4.299 -9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.896 5.413 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.365 6.928 -10.841 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.820 6.249 -10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.575 7.399 -11.202 1.00 0.00 H new ATOM 733 N PHE A 49 1.536 -0.388 -6.102 1.00 0.00 N ATOM 734 CA PHE A 49 0.634 -1.442 -5.643 1.00 0.00 C ATOM 735 C PHE A 49 -0.728 -0.875 -5.254 1.00 0.00 C ATOM 736 O PHE A 49 -1.754 -1.266 -5.812 1.00 0.00 O ATOM 737 CB PHE A 49 1.246 -2.182 -4.456 1.00 0.00 C ATOM 738 CG PHE A 49 0.447 -3.381 -4.017 1.00 0.00 C ATOM 739 CD1 PHE A 49 0.528 -4.576 -4.715 1.00 0.00 C ATOM 740 CD2 PHE A 49 -0.380 -3.315 -2.904 1.00 0.00 C ATOM 741 CE1 PHE A 49 -0.198 -5.680 -4.313 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.107 -4.417 -2.498 1.00 0.00 C ATOM 743 CZ PHE A 49 -1.017 -5.601 -3.204 1.00 0.00 C ATOM 0 H PHE A 49 2.480 -0.444 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 49 0.490 -2.140 -6.468 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.254 -2.504 -4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.341 -1.492 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.166 -4.644 -5.583 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.456 -2.391 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.125 -6.605 -4.866 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.745 -4.353 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.586 -6.463 -2.889 1.00 0.00 H new ATOM 753 N ILE A 50 -0.736 0.046 -4.296 1.00 0.00 N ATOM 754 CA ILE A 50 -1.981 0.656 -3.853 1.00 0.00 C ATOM 755 C ILE A 50 -2.594 1.520 -4.971 1.00 0.00 C ATOM 756 O ILE A 50 -2.580 1.095 -6.127 1.00 0.00 O ATOM 757 CB ILE A 50 -1.831 1.408 -2.497 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.505 2.179 -2.377 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.955 0.407 -1.365 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.302 2.805 -1.008 1.00 0.00 C ATOM 0 H ILE A 50 0.099 0.383 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.691 -0.145 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.625 2.153 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.323 1.501 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.476 2.961 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.851 0.923 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.931 -0.077 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.172 -0.346 -1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.651 3.334 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.111 3.507 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.300 2.024 -0.248 1.00 0.00 H new ATOM 772 N ASP A 51 -3.126 2.708 -4.679 1.00 0.00 N ATOM 773 CA ASP A 51 -3.758 3.502 -5.734 1.00 0.00 C ATOM 774 C ASP A 51 -2.908 4.652 -6.260 1.00 0.00 C ATOM 775 O ASP A 51 -3.466 5.585 -6.805 1.00 0.00 O ATOM 776 CB ASP A 51 -5.094 4.059 -5.257 1.00 0.00 C ATOM 777 CG ASP A 51 -6.064 2.982 -4.823 1.00 0.00 C ATOM 778 OD1 ASP A 51 -6.045 2.612 -3.632 1.00 0.00 O ATOM 779 OD2 ASP A 51 -6.851 2.520 -5.674 1.00 0.00 O ATOM 0 H ASP A 51 -3.134 3.132 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.894 2.807 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.920 4.741 -4.424 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.544 4.644 -6.059 1.00 0.00 H new ATOM 784 N ASN A 52 -1.598 4.597 -6.010 1.00 0.00 N ATOM 785 CA ASN A 52 -0.621 5.625 -6.493 1.00 0.00 C ATOM 786 C ASN A 52 -0.795 6.073 -7.966 1.00 0.00 C ATOM 787 O ASN A 52 0.145 6.020 -8.759 1.00 0.00 O ATOM 788 CB ASN A 52 0.816 5.132 -6.294 1.00 0.00 C ATOM 789 CG ASN A 52 1.860 6.133 -6.783 1.00 0.00 C ATOM 790 OD1 ASN A 52 2.949 5.750 -7.205 1.00 0.00 O ATOM 791 ND2 ASN A 52 1.540 7.424 -6.721 1.00 0.00 N ATOM 0 H ASN A 52 -1.167 3.847 -5.469 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.833 6.504 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.982 4.929 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.948 4.189 -6.824 1.00 0.00 H new ATOM 0 HD21 ASN A 52 2.208 8.130 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.627 7.707 -6.365 1.00 0.00 H new ATOM 798 N ASP A 53 -2.001 6.500 -8.317 1.00 0.00 N ATOM 799 CA ASP A 53 -2.343 6.955 -9.652 1.00 0.00 C ATOM 800 C ASP A 53 -3.849 7.173 -9.733 1.00 0.00 C ATOM 801 O ASP A 53 -4.577 6.307 -10.217 1.00 0.00 O ATOM 802 CB ASP A 53 -1.925 5.935 -10.707 1.00 0.00 C ATOM 803 CG ASP A 53 -2.204 6.415 -12.118 1.00 0.00 C ATOM 804 OD1 ASP A 53 -1.361 7.154 -12.671 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.263 6.051 -12.671 1.00 0.00 O ATOM 0 H ASP A 53 -2.784 6.539 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.812 7.887 -9.847 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.861 5.723 -10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.455 4.999 -10.533 1.00 0.00 H new ATOM 810 N GLN A 54 -4.322 8.325 -9.261 1.00 0.00 N ATOM 811 CA GLN A 54 -5.749 8.608 -9.298 1.00 0.00 C ATOM 812 C GLN A 54 -6.069 10.107 -9.281 1.00 0.00 C ATOM 813 O GLN A 54 -6.834 10.579 -10.122 1.00 0.00 O ATOM 814 CB GLN A 54 -6.493 7.908 -8.163 1.00 0.00 C ATOM 815 CG GLN A 54 -5.694 7.741 -6.892 1.00 0.00 C ATOM 816 CD GLN A 54 -6.403 6.846 -5.893 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.131 7.063 -4.618 1.00 0.00 O flip ATOM 818 NE2 GLN A 54 -7.194 5.980 -6.267 1.00 0.00 N flip ATOM 0 H GLN A 54 -3.747 9.064 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.097 8.211 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.397 8.474 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.811 6.924 -8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.718 7.318 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.517 8.718 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.373 5.848 -7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.671 5.394 -5.581 1.00 0.00 H new ATOM 827 N SER A 55 -5.502 10.864 -8.340 1.00 0.00 N ATOM 828 CA SER A 55 -5.795 12.300 -8.272 1.00 0.00 C ATOM 829 C SER A 55 -4.667 13.118 -7.648 1.00 0.00 C ATOM 830 O SER A 55 -4.923 13.996 -6.825 1.00 0.00 O ATOM 831 CB SER A 55 -7.081 12.533 -7.476 1.00 0.00 C ATOM 832 OG SER A 55 -7.133 11.696 -6.334 1.00 0.00 O ATOM 0 H SER A 55 -4.854 10.521 -7.631 1.00 0.00 H new ATOM 0 HA SER A 55 -5.910 12.639 -9.302 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.138 13.577 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.946 12.341 -8.111 1.00 0.00 H new ATOM 0 HG SER A 55 -7.963 11.865 -5.842 1.00 0.00 H new ATOM 838 N GLY A 56 -3.423 12.844 -8.029 1.00 0.00 N ATOM 839 CA GLY A 56 -2.309 13.602 -7.477 1.00 0.00 C ATOM 840 C GLY A 56 -1.744 12.991 -6.209 1.00 0.00 C ATOM 841 O GLY A 56 -0.543 13.064 -5.950 1.00 0.00 O ATOM 0 H GLY A 56 -3.166 12.121 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.518 13.670 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.638 14.620 -7.267 1.00 0.00 H new ATOM 845 N TYR A 57 -2.621 12.388 -5.426 1.00 0.00 N ATOM 846 CA TYR A 57 -2.256 11.765 -4.164 1.00 0.00 C ATOM 847 C TYR A 57 -3.323 10.765 -3.806 1.00 0.00 C ATOM 848 O TYR A 57 -4.413 10.773 -4.378 1.00 0.00 O ATOM 849 CB TYR A 57 -2.157 12.805 -3.026 1.00 0.00 C ATOM 850 CG TYR A 57 -2.520 14.201 -3.443 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.844 14.542 -3.537 1.00 0.00 C ATOM 852 CD2 TYR A 57 -1.560 15.149 -3.764 1.00 0.00 C ATOM 853 CE1 TYR A 57 -4.230 15.804 -3.941 1.00 0.00 C ATOM 854 CE2 TYR A 57 -1.928 16.420 -4.165 1.00 0.00 C ATOM 855 CZ TYR A 57 -3.267 16.743 -4.254 1.00 0.00 C ATOM 856 OH TYR A 57 -3.642 18.004 -4.657 1.00 0.00 O ATOM 0 H TYR A 57 -3.614 12.316 -5.649 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.282 11.289 -4.280 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.811 12.499 -2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.139 12.806 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.599 13.810 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.513 14.892 -3.700 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -5.278 16.055 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.174 17.154 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.842 18.541 -4.837 1.00 0.00 H new ATOM 866 N LEU A 58 -3.020 9.908 -2.863 1.00 0.00 N ATOM 867 CA LEU A 58 -3.989 8.938 -2.433 1.00 0.00 C ATOM 868 C LEU A 58 -4.570 9.385 -1.108 1.00 0.00 C ATOM 869 O LEU A 58 -3.895 10.055 -0.330 1.00 0.00 O ATOM 870 CB LEU A 58 -3.361 7.556 -2.334 1.00 0.00 C ATOM 871 CG LEU A 58 -2.466 7.162 -3.512 1.00 0.00 C ATOM 872 CD1 LEU A 58 -2.006 5.726 -3.336 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.182 7.379 -4.846 1.00 0.00 C ATOM 0 H LEU A 58 -2.120 9.864 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.793 8.867 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.772 7.507 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.158 6.818 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.585 7.804 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.368 5.443 -4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.445 5.635 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.874 5.067 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.522 7.091 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.086 6.770 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.449 8.431 -4.949 1.00 0.00 H new ATOM 885 N ASP A 59 -5.814 9.025 -0.851 1.00 0.00 N ATOM 886 CA ASP A 59 -6.461 9.443 0.379 1.00 0.00 C ATOM 887 C ASP A 59 -7.391 8.370 0.928 1.00 0.00 C ATOM 888 O ASP A 59 -7.900 7.531 0.183 1.00 0.00 O ATOM 889 CB ASP A 59 -7.227 10.743 0.132 1.00 0.00 C ATOM 890 CG ASP A 59 -8.262 10.607 -0.967 1.00 0.00 C ATOM 891 OD1 ASP A 59 -7.894 10.748 -2.152 1.00 0.00 O ATOM 892 OD2 ASP A 59 -9.443 10.362 -0.643 1.00 0.00 O ATOM 0 H ASP A 59 -6.390 8.452 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.689 9.608 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.719 11.052 1.054 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.522 11.531 -0.132 1.00 0.00 H new ATOM 897 N GLY A 60 -7.607 8.410 2.236 1.00 0.00 N ATOM 898 CA GLY A 60 -8.429 7.410 2.910 1.00 0.00 C ATOM 899 C GLY A 60 -9.648 6.964 2.118 1.00 0.00 C ATOM 900 O GLY A 60 -10.059 5.806 2.206 1.00 0.00 O ATOM 0 H GLY A 60 -7.224 9.125 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.813 6.538 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.760 7.814 3.867 1.00 0.00 H new ATOM 904 N ASP A 61 -10.218 7.867 1.332 1.00 0.00 N ATOM 905 CA ASP A 61 -11.403 7.537 0.551 1.00 0.00 C ATOM 906 C ASP A 61 -11.018 6.690 -0.648 1.00 0.00 C ATOM 907 O ASP A 61 -11.669 5.698 -0.972 1.00 0.00 O ATOM 908 CB ASP A 61 -12.095 8.801 0.055 1.00 0.00 C ATOM 909 CG ASP A 61 -12.046 9.933 1.064 1.00 0.00 C ATOM 910 OD1 ASP A 61 -12.755 9.846 2.089 1.00 0.00 O ATOM 911 OD2 ASP A 61 -11.299 10.905 0.830 1.00 0.00 O ATOM 0 H ASP A 61 -9.884 8.824 1.218 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.085 6.983 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.625 9.127 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.135 8.573 -0.178 1.00 0.00 H new ATOM 916 N GLU A 62 -9.946 7.114 -1.300 1.00 0.00 N ATOM 917 CA GLU A 62 -9.448 6.463 -2.495 1.00 0.00 C ATOM 918 C GLU A 62 -8.666 5.188 -2.175 1.00 0.00 C ATOM 919 O GLU A 62 -8.627 4.254 -2.975 1.00 0.00 O ATOM 920 CB GLU A 62 -8.577 7.442 -3.265 1.00 0.00 C ATOM 921 CG GLU A 62 -9.221 8.802 -3.430 1.00 0.00 C ATOM 922 CD GLU A 62 -10.430 8.773 -4.344 1.00 0.00 C ATOM 923 OE1 GLU A 62 -10.245 8.840 -5.578 1.00 0.00 O ATOM 924 OE2 GLU A 62 -11.563 8.686 -3.826 1.00 0.00 O ATOM 0 H GLU A 62 -9.397 7.923 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.302 6.163 -3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.625 7.557 -2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.357 7.028 -4.249 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.520 9.178 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.486 9.501 -3.829 1.00 0.00 H new ATOM 931 N LEU A 63 -8.048 5.157 -0.998 1.00 0.00 N ATOM 932 CA LEU A 63 -7.237 4.019 -0.572 1.00 0.00 C ATOM 933 C LEU A 63 -7.935 2.689 -0.825 1.00 0.00 C ATOM 934 O LEU A 63 -7.330 1.745 -1.330 1.00 0.00 O ATOM 935 CB LEU A 63 -6.905 4.163 0.914 1.00 0.00 C ATOM 936 CG LEU A 63 -5.917 5.285 1.233 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.448 5.212 2.677 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.737 5.252 0.270 1.00 0.00 C ATOM 0 H LEU A 63 -8.094 5.914 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.321 4.019 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.829 4.341 1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.495 3.220 1.275 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.434 6.236 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.746 6.023 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.306 5.305 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.955 4.256 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.046 6.059 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.223 4.295 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.097 5.379 -0.751 1.00 0.00 H new ATOM 950 N LYS A 64 -9.209 2.621 -0.473 1.00 0.00 N ATOM 951 CA LYS A 64 -10.001 1.411 -0.653 1.00 0.00 C ATOM 952 C LYS A 64 -10.091 0.943 -2.105 1.00 0.00 C ATOM 953 O LYS A 64 -10.374 -0.228 -2.357 1.00 0.00 O ATOM 954 CB LYS A 64 -11.410 1.690 -0.139 1.00 0.00 C ATOM 955 CG LYS A 64 -11.910 3.085 -0.481 1.00 0.00 C ATOM 956 CD LYS A 64 -13.420 3.168 -0.430 1.00 0.00 C ATOM 957 CE LYS A 64 -13.926 3.015 0.988 1.00 0.00 C ATOM 958 NZ LYS A 64 -15.409 3.117 1.067 1.00 0.00 N ATOM 0 H LYS A 64 -9.723 3.398 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.505 0.613 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.095 0.953 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.427 1.561 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.482 3.806 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.564 3.361 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.749 4.125 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.852 2.390 -1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.608 2.051 1.384 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.476 3.782 1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.673 3.731 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.777 3.521 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.815 2.170 1.210 1.00 0.00 H new ATOM 972 N TYR A 65 -9.857 1.831 -3.057 1.00 0.00 N ATOM 973 CA TYR A 65 -9.933 1.445 -4.463 1.00 0.00 C ATOM 974 C TYR A 65 -8.697 0.668 -4.918 1.00 0.00 C ATOM 975 O TYR A 65 -8.723 0.032 -5.964 1.00 0.00 O ATOM 976 CB TYR A 65 -10.137 2.675 -5.348 1.00 0.00 C ATOM 977 CG TYR A 65 -11.184 3.632 -4.819 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.183 3.195 -3.954 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.161 4.976 -5.170 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.127 4.077 -3.455 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.104 5.859 -4.681 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.083 5.405 -3.824 1.00 0.00 C ATOM 983 OH TYR A 65 -14.021 6.284 -3.329 1.00 0.00 O ATOM 0 H TYR A 65 -9.617 2.808 -2.891 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.792 0.782 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.189 3.204 -5.446 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.425 2.350 -6.348 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.223 2.154 -3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.392 5.337 -5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.894 3.726 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.074 6.900 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.849 7.181 -3.685 1.00 0.00 H new ATOM 993 N PHE A 66 -7.622 0.700 -4.128 1.00 0.00 N ATOM 994 CA PHE A 66 -6.386 0.005 -4.499 1.00 0.00 C ATOM 995 C PHE A 66 -6.669 -1.429 -4.962 1.00 0.00 C ATOM 996 O PHE A 66 -6.269 -1.827 -6.056 1.00 0.00 O ATOM 997 CB PHE A 66 -5.377 0.050 -3.322 1.00 0.00 C ATOM 998 CG PHE A 66 -4.914 -1.289 -2.790 1.00 0.00 C ATOM 999 CD1 PHE A 66 -4.209 -2.168 -3.599 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -5.196 -1.664 -1.489 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -3.795 -3.394 -3.114 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -4.787 -2.889 -1.000 1.00 0.00 C ATOM 1003 CZ PHE A 66 -4.085 -3.755 -1.814 1.00 0.00 C ATOM 0 H PHE A 66 -7.581 1.194 -3.236 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.935 0.521 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.501 0.613 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.831 0.606 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.981 -1.892 -4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.743 -0.990 -0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.245 -4.069 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.016 -3.169 0.018 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.763 -4.713 -1.434 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.359 -2.192 -4.126 1.00 0.00 N ATOM 1014 CA LEU A 67 -7.695 -3.571 -4.466 1.00 0.00 C ATOM 1015 C LEU A 67 -8.563 -3.581 -5.710 1.00 0.00 C ATOM 1016 O LEU A 67 -8.483 -4.478 -6.549 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.452 -4.239 -3.313 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.583 -4.705 -2.140 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.449 -5.312 -1.044 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -6.543 -5.711 -2.612 1.00 0.00 C ATOM 0 H LEU A 67 -7.696 -1.884 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.774 -4.125 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.197 -3.539 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.994 -5.099 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.064 -3.838 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.816 -5.638 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.158 -4.566 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.994 -6.168 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.935 -6.031 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.044 -6.576 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.903 -5.248 -3.363 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.390 -2.557 -5.807 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.295 -2.387 -6.923 1.00 0.00 C ATOM 1034 C GLN A 68 -9.525 -2.064 -8.205 1.00 0.00 C ATOM 1035 O GLN A 68 -9.891 -2.536 -9.282 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.329 -1.312 -6.575 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.404 -1.815 -5.625 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.399 -0.737 -5.239 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.083 0.452 -5.266 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.604 -1.150 -4.859 1.00 0.00 N ATOM 0 H GLN A 68 -9.451 -1.816 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.827 -3.320 -7.111 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.822 -0.459 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.798 -0.955 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.936 -2.644 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.932 -2.207 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.823 -2.146 -4.852 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.310 -0.471 -4.575 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.460 -1.261 -8.098 1.00 0.00 N ATOM 1050 CA LYS A 69 -7.637 -0.929 -9.258 1.00 0.00 C ATOM 1051 C LYS A 69 -7.147 -2.183 -9.956 1.00 0.00 C ATOM 1052 O LYS A 69 -7.507 -2.458 -11.100 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.406 -0.136 -8.816 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.718 1.122 -8.025 1.00 0.00 C ATOM 1055 CD LYS A 69 -7.805 1.946 -8.687 1.00 0.00 C ATOM 1056 CE LYS A 69 -7.471 2.241 -10.140 1.00 0.00 C ATOM 1057 NZ LYS A 69 -6.159 2.933 -10.280 1.00 0.00 N ATOM 0 H LYS A 69 -8.152 -0.833 -7.225 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.254 -0.343 -9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.771 -0.783 -8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.830 0.139 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.031 0.850 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.814 1.724 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.753 1.412 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.935 2.883 -8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.452 1.309 -10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.256 2.860 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.045 3.267 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.124 3.745 -9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.391 2.271 -10.048 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.320 -2.939 -9.253 1.00 0.00 N ATOM 1072 CA PHE A 70 -5.759 -4.159 -9.802 1.00 0.00 C ATOM 1073 C PHE A 70 -6.874 -5.178 -10.012 1.00 0.00 C ATOM 1074 O PHE A 70 -6.982 -5.798 -11.070 1.00 0.00 O ATOM 1075 CB PHE A 70 -4.635 -4.671 -8.873 1.00 0.00 C ATOM 1076 CG PHE A 70 -4.829 -6.052 -8.293 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -4.762 -7.177 -9.099 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -5.079 -6.216 -6.939 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -4.941 -8.440 -8.566 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -5.258 -7.476 -6.400 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.189 -8.590 -7.215 1.00 0.00 C ATOM 0 H PHE A 70 -6.023 -2.728 -8.300 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.307 -3.975 -10.777 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.698 -4.662 -9.430 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.523 -3.966 -8.049 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.568 -7.066 -10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.135 -5.349 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.887 -9.309 -9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.451 -7.590 -5.344 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.329 -9.576 -6.797 1.00 0.00 H new ATOM 1091 N GLN A 71 -7.698 -5.335 -8.987 1.00 0.00 N ATOM 1092 CA GLN A 71 -8.823 -6.249 -9.053 1.00 0.00 C ATOM 1093 C GLN A 71 -10.052 -5.477 -9.559 1.00 0.00 C ATOM 1094 O GLN A 71 -9.941 -4.710 -10.514 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.059 -6.884 -7.682 1.00 0.00 C ATOM 1096 CG GLN A 71 -9.730 -8.250 -7.756 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.425 -8.643 -6.465 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.190 -7.717 -5.902 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.301 -9.775 -6.000 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.607 -4.840 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.620 -7.063 -9.749 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.104 -6.984 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.677 -6.216 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.458 -8.247 -8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.981 -9.003 -8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.701 -10.455 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.798 -10.033 -5.147 1.00 0.00 H new ATOM 1108 N SER A 72 -11.212 -5.666 -8.927 1.00 0.00 N ATOM 1109 CA SER A 72 -12.426 -4.952 -9.316 1.00 0.00 C ATOM 1110 C SER A 72 -13.630 -5.545 -8.614 1.00 0.00 C ATOM 1111 O SER A 72 -14.658 -5.833 -9.226 1.00 0.00 O ATOM 1112 CB SER A 72 -12.632 -4.991 -10.824 1.00 0.00 C ATOM 1113 OG SER A 72 -13.939 -4.568 -11.173 1.00 0.00 O ATOM 0 H SER A 72 -11.335 -6.308 -8.144 1.00 0.00 H new ATOM 0 HA SER A 72 -12.312 -3.910 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.897 -4.350 -11.311 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.464 -6.004 -11.191 1.00 0.00 H new ATOM 0 HG SER A 72 -14.588 -5.245 -10.891 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.471 -5.722 -7.320 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.516 -6.268 -6.476 1.00 0.00 C ATOM 1121 C ASP A 73 -14.371 -5.768 -5.043 1.00 0.00 C ATOM 1122 O ASP A 73 -15.375 -5.556 -4.367 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.467 -7.795 -6.502 1.00 0.00 C ATOM 1124 CG ASP A 73 -14.817 -8.364 -7.862 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.023 -8.449 -8.178 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -13.886 -8.726 -8.612 1.00 0.00 O ATOM 0 H ASP A 73 -12.612 -5.491 -6.821 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.478 -5.933 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.469 -8.128 -6.218 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -15.158 -8.190 -5.758 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.107 -5.634 -4.592 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.742 -5.165 -3.246 1.00 0.00 C ATOM 1133 C ALA A 74 -13.904 -4.632 -2.421 1.00 0.00 C ATOM 1134 O ALA A 74 -14.725 -3.847 -2.897 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.643 -4.118 -3.318 1.00 0.00 C ATOM 0 H ALA A 74 -12.296 -5.855 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.386 -6.055 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.390 -3.786 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.760 -4.549 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.989 -3.267 -3.904 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.915 -5.010 -1.150 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.957 -4.586 -0.232 1.00 0.00 C ATOM 1143 C ARG A 75 -14.753 -3.136 0.211 1.00 0.00 C ATOM 1144 O ARG A 75 -15.473 -2.650 1.082 1.00 0.00 O ATOM 1145 CB ARG A 75 -14.973 -5.496 0.996 1.00 0.00 C ATOM 1146 CG ARG A 75 -13.647 -5.536 1.739 1.00 0.00 C ATOM 1147 CD ARG A 75 -12.877 -6.815 1.445 1.00 0.00 C ATOM 1148 NE ARG A 75 -11.439 -6.646 1.635 1.00 0.00 N ATOM 1149 CZ ARG A 75 -10.573 -7.655 1.638 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -11.003 -8.901 1.482 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -9.278 -7.420 1.798 1.00 0.00 N ATOM 0 H ARG A 75 -13.208 -5.614 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.911 -4.655 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.753 -5.158 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.237 -6.507 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.044 -4.674 1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.828 -5.458 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.237 -7.612 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.073 -7.128 0.419 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.079 -5.702 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.999 -9.085 1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.338 -9.674 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.944 -6.464 1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.615 -8.195 1.800 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.769 -2.449 -0.383 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.466 -1.068 -0.047 1.00 0.00 C ATOM 1167 C GLU A 76 -12.606 -1.027 1.196 1.00 0.00 C ATOM 1168 O GLU A 76 -12.837 -0.240 2.114 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.732 -0.244 0.133 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.724 -0.448 -0.995 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.779 0.638 -1.053 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.683 0.635 -0.191 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -16.704 1.492 -1.962 1.00 0.00 O ATOM 0 H GLU A 76 -13.167 -2.841 -1.107 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.915 -0.622 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -15.203 -0.510 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.469 0.812 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.188 -0.478 -1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.211 -1.415 -0.874 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.593 -1.884 1.180 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.650 -2.050 2.292 1.00 0.00 C ATOM 1182 C LEU A 77 -11.304 -1.784 3.647 1.00 0.00 C ATOM 1183 O LEU A 77 -10.663 -1.290 4.570 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.453 -1.129 2.088 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.531 -1.542 0.945 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.553 -0.430 0.639 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.793 -2.824 1.297 1.00 0.00 C ATOM 0 H LEU A 77 -11.396 -2.494 0.387 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.318 -3.088 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.815 -0.118 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.875 -1.094 3.011 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.134 -1.728 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.899 -0.735 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.101 0.467 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.953 -0.219 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.139 -3.106 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.196 -2.665 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.514 -3.621 1.477 1.00 0.00 H new ATOM 1199 N THR A 78 -12.584 -2.132 3.747 1.00 0.00 N ATOM 1200 CA THR A 78 -13.366 -1.934 4.965 1.00 0.00 C ATOM 1201 C THR A 78 -13.038 -0.608 5.645 1.00 0.00 C ATOM 1202 O THR A 78 -12.310 0.226 5.112 1.00 0.00 O ATOM 1203 CB THR A 78 -13.137 -3.071 5.979 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.819 -2.970 6.534 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.305 -4.429 5.321 1.00 0.00 C ATOM 0 H THR A 78 -13.110 -2.560 2.985 1.00 0.00 H new ATOM 0 HA THR A 78 -14.410 -1.929 4.651 1.00 0.00 H new ATOM 0 HB THR A 78 -13.879 -2.974 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.781 -3.465 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.138 -5.214 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.315 -4.517 4.920 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.583 -4.533 4.511 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.652 -0.385 6.785 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.373 0.809 7.555 1.00 0.00 C ATOM 1215 C GLU A 79 -11.957 0.724 8.123 1.00 0.00 C ATOM 1216 O GLU A 79 -11.166 1.664 8.036 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.386 0.967 8.690 1.00 0.00 C ATOM 1218 CG GLU A 79 -15.821 1.124 8.210 1.00 0.00 C ATOM 1219 CD GLU A 79 -16.805 1.263 9.355 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -17.022 2.403 9.814 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -17.359 0.232 9.791 1.00 0.00 O ATOM 0 H GLU A 79 -14.344 -1.010 7.199 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.453 1.679 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.324 0.098 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.115 1.837 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.891 2.001 7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -16.094 0.261 7.603 1.00 0.00 H new ATOM 1228 N SER A 80 -11.667 -0.440 8.703 1.00 0.00 N ATOM 1229 CA SER A 80 -10.391 -0.720 9.359 1.00 0.00 C ATOM 1230 C SER A 80 -9.211 -0.998 8.422 1.00 0.00 C ATOM 1231 O SER A 80 -8.086 -0.598 8.722 1.00 0.00 O ATOM 1232 CB SER A 80 -10.566 -1.907 10.291 1.00 0.00 C ATOM 1233 OG SER A 80 -9.577 -1.916 11.304 1.00 0.00 O ATOM 0 H SER A 80 -12.319 -1.224 8.731 1.00 0.00 H new ATOM 0 HA SER A 80 -10.132 0.196 9.890 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.556 -1.872 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.511 -2.833 9.718 1.00 0.00 H new ATOM 0 HG SER A 80 -8.690 -1.989 10.894 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.439 -1.673 7.293 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.324 -2.032 6.406 1.00 0.00 C ATOM 1241 C GLU A 81 -7.639 -0.802 5.818 1.00 0.00 C ATOM 1242 O GLU A 81 -6.413 -0.769 5.709 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.765 -2.977 5.285 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.775 -4.095 5.020 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.387 -3.574 4.702 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.644 -3.247 5.652 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.041 -3.498 3.506 1.00 0.00 O ATOM 0 H GLU A 81 -10.359 -1.977 6.975 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.600 -2.557 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.731 -3.410 5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.908 -2.403 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.725 -4.746 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.131 -4.703 4.188 1.00 0.00 H new ATOM 1254 N THR A 82 -8.415 0.213 5.440 1.00 0.00 N ATOM 1255 CA THR A 82 -7.834 1.425 4.893 1.00 0.00 C ATOM 1256 C THR A 82 -6.878 2.061 5.901 1.00 0.00 C ATOM 1257 O THR A 82 -6.056 2.905 5.540 1.00 0.00 O ATOM 1258 CB THR A 82 -8.909 2.450 4.502 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.733 2.761 5.633 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.771 1.923 3.363 1.00 0.00 C ATOM 0 H THR A 82 -9.433 0.216 5.503 1.00 0.00 H new ATOM 0 HA THR A 82 -7.288 1.139 3.994 1.00 0.00 H new ATOM 0 HB THR A 82 -8.407 3.357 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.413 3.416 5.372 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.525 2.666 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.144 1.724 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.262 1.001 3.675 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.984 1.654 7.170 1.00 0.00 N ATOM 1269 CA LYS A 83 -6.103 2.172 8.201 1.00 0.00 C ATOM 1270 C LYS A 83 -4.659 1.909 7.794 1.00 0.00 C ATOM 1271 O LYS A 83 -3.781 2.743 7.998 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.404 1.516 9.549 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.768 2.233 10.727 1.00 0.00 C ATOM 1274 CD LYS A 83 -6.064 1.523 12.038 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.564 2.324 13.229 1.00 0.00 C ATOM 1276 NZ LYS A 83 -6.281 3.622 13.365 1.00 0.00 N ATOM 0 H LYS A 83 -7.668 0.972 7.498 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.264 3.245 8.308 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.484 1.482 9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.052 0.484 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.690 2.292 10.579 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.139 3.257 10.775 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.138 1.362 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.593 0.540 12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.694 1.740 14.140 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.495 2.509 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.131 4.003 14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.915 4.296 12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.298 3.475 13.207 1.00 0.00 H new ATOM 1290 N SER A 84 -4.428 0.730 7.217 1.00 0.00 N ATOM 1291 CA SER A 84 -3.102 0.353 6.747 1.00 0.00 C ATOM 1292 C SER A 84 -2.590 1.394 5.769 1.00 0.00 C ATOM 1293 O SER A 84 -1.511 1.961 5.943 1.00 0.00 O ATOM 1294 CB SER A 84 -3.152 -1.011 6.051 1.00 0.00 C ATOM 1295 OG SER A 84 -2.086 -1.157 5.132 1.00 0.00 O ATOM 0 H SER A 84 -5.145 0.021 7.065 1.00 0.00 H new ATOM 0 HA SER A 84 -2.432 0.293 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.104 -1.804 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.103 -1.121 5.529 1.00 0.00 H new ATOM 0 HG SER A 84 -1.314 -0.638 5.441 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.385 1.635 4.736 1.00 0.00 N ATOM 1302 CA LEU A 85 -3.055 2.604 3.718 1.00 0.00 C ATOM 1303 C LEU A 85 -2.953 4.001 4.323 1.00 0.00 C ATOM 1304 O LEU A 85 -2.092 4.791 3.945 1.00 0.00 O ATOM 1305 CB LEU A 85 -4.126 2.536 2.632 1.00 0.00 C ATOM 1306 CG LEU A 85 -4.126 1.240 1.817 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.988 1.389 0.574 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.710 0.829 1.437 1.00 0.00 C ATOM 0 H LEU A 85 -4.275 1.161 4.586 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.083 2.379 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.104 2.657 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.990 3.377 1.952 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.549 0.453 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.975 0.457 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.012 1.621 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.596 2.195 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.742 -0.095 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.251 1.616 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.122 0.671 2.341 1.00 0.00 H new ATOM 1320 N MET A 86 -3.840 4.287 5.265 1.00 0.00 N ATOM 1321 CA MET A 86 -3.842 5.569 5.959 1.00 0.00 C ATOM 1322 C MET A 86 -2.531 5.732 6.720 1.00 0.00 C ATOM 1323 O MET A 86 -1.812 6.717 6.555 1.00 0.00 O ATOM 1324 CB MET A 86 -5.024 5.641 6.929 1.00 0.00 C ATOM 1325 CG MET A 86 -6.376 5.493 6.253 1.00 0.00 C ATOM 1326 SD MET A 86 -7.278 7.051 6.158 1.00 0.00 S ATOM 1327 CE MET A 86 -6.005 8.136 5.521 1.00 0.00 C ATOM 0 H MET A 86 -4.572 3.645 5.568 1.00 0.00 H new ATOM 0 HA MET A 86 -3.941 6.374 5.230 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.915 4.858 7.680 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.993 6.595 7.456 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.234 5.098 5.247 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.974 4.764 6.800 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.448 9.091 5.239 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.249 8.300 6.289 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.541 7.679 4.647 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.228 4.722 7.533 1.00 0.00 N ATOM 1338 CA ASP A 87 -1.012 4.666 8.346 1.00 0.00 C ATOM 1339 C ASP A 87 0.244 4.418 7.498 1.00 0.00 C ATOM 1340 O ASP A 87 1.360 4.401 8.019 1.00 0.00 O ATOM 1341 CB ASP A 87 -1.144 3.544 9.368 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.226 3.817 10.396 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.381 4.063 9.992 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -1.915 3.786 11.605 1.00 0.00 O ATOM 0 H ASP A 87 -2.829 3.906 7.648 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.900 5.633 8.837 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.366 2.611 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.190 3.407 9.877 1.00 0.00 H new ATOM 1349 N ALA A 88 0.053 4.227 6.199 1.00 0.00 N ATOM 1350 CA ALA A 88 1.146 3.924 5.285 1.00 0.00 C ATOM 1351 C ALA A 88 2.101 5.099 5.067 1.00 0.00 C ATOM 1352 O ALA A 88 3.256 4.895 4.697 1.00 0.00 O ATOM 1353 CB ALA A 88 0.571 3.460 3.966 1.00 0.00 C ATOM 0 H ALA A 88 -0.862 4.278 5.750 1.00 0.00 H new ATOM 0 HA ALA A 88 1.743 3.135 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.383 3.231 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.032 2.566 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.053 4.248 3.544 1.00 0.00 H new ATOM 1359 N ALA A 89 1.634 6.327 5.282 1.00 0.00 N ATOM 1360 CA ALA A 89 2.496 7.490 5.076 1.00 0.00 C ATOM 1361 C ALA A 89 1.962 8.756 5.749 1.00 0.00 C ATOM 1362 O ALA A 89 2.296 9.045 6.898 1.00 0.00 O ATOM 1363 CB ALA A 89 2.705 7.725 3.586 1.00 0.00 C ATOM 0 H ALA A 89 0.686 6.541 5.592 1.00 0.00 H new ATOM 0 HA ALA A 89 3.452 7.268 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.348 8.593 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.174 6.847 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.742 7.903 3.107 1.00 0.00 H new ATOM 1369 N ASP A 90 1.131 9.508 5.028 1.00 0.00 N ATOM 1370 CA ASP A 90 0.578 10.750 5.561 1.00 0.00 C ATOM 1371 C ASP A 90 -0.671 10.452 6.379 1.00 0.00 C ATOM 1372 O ASP A 90 -1.795 10.644 5.919 1.00 0.00 O ATOM 1373 CB ASP A 90 0.276 11.743 4.436 1.00 0.00 C ATOM 1374 CG ASP A 90 0.979 13.072 4.639 1.00 0.00 C ATOM 1375 OD1 ASP A 90 2.218 13.069 4.800 1.00 0.00 O ATOM 1376 OD2 ASP A 90 0.295 14.114 4.630 1.00 0.00 O ATOM 0 H ASP A 90 0.828 9.280 4.081 1.00 0.00 H new ATOM 0 HA ASP A 90 1.319 11.211 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.584 11.313 3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.800 11.908 4.379 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.449 9.981 7.595 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.536 9.615 8.499 1.00 0.00 C ATOM 1383 C ASN A 91 -1.693 10.626 9.618 1.00 0.00 C ATOM 1384 O ASN A 91 -2.811 10.941 10.026 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.316 8.216 9.092 1.00 0.00 C ATOM 1386 CG ASN A 91 0.135 7.773 9.038 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.513 7.119 7.944 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.907 8.016 9.967 1.00 0.00 N flip ATOM 0 H ASN A 91 0.483 9.841 7.985 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.452 9.608 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.655 8.209 10.128 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.931 7.497 8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.574 8.521 10.788 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.879 7.712 9.915 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.576 11.137 10.118 1.00 0.00 N ATOM 1396 CA ASP A 92 -0.629 12.106 11.190 1.00 0.00 C ATOM 1397 C ASP A 92 -1.216 13.407 10.677 1.00 0.00 C ATOM 1398 O ASP A 92 -1.673 14.242 11.456 1.00 0.00 O ATOM 1399 CB ASP A 92 0.770 12.342 11.754 1.00 0.00 C ATOM 1400 CG ASP A 92 1.708 12.963 10.738 1.00 0.00 C ATOM 1401 OD1 ASP A 92 1.742 14.209 10.645 1.00 0.00 O ATOM 1402 OD2 ASP A 92 2.412 12.205 10.038 1.00 0.00 O ATOM 0 H ASP A 92 0.363 10.897 9.800 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.265 11.722 11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.702 12.992 12.626 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.185 11.394 12.095 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.203 13.580 9.358 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.791 14.756 8.765 1.00 0.00 C ATOM 1409 C GLY A 93 -2.036 14.564 7.279 1.00 0.00 C ATOM 1410 O GLY A 93 -1.168 14.074 6.559 1.00 0.00 O ATOM 0 H GLY A 93 -0.794 12.923 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.733 14.985 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.133 15.611 8.919 1.00 0.00 H new ATOM 1414 N ASP A 94 -3.228 14.946 6.827 1.00 0.00 N ATOM 1415 CA ASP A 94 -3.630 14.846 5.428 1.00 0.00 C ATOM 1416 C ASP A 94 -4.226 13.482 5.098 1.00 0.00 C ATOM 1417 O ASP A 94 -4.952 13.342 4.115 1.00 0.00 O ATOM 1418 CB ASP A 94 -2.465 15.154 4.495 1.00 0.00 C ATOM 1419 CG ASP A 94 -2.926 15.577 3.115 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -3.925 15.012 2.623 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -2.292 16.479 2.528 1.00 0.00 O ATOM 0 H ASP A 94 -3.950 15.339 7.431 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.408 15.594 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.855 15.946 4.930 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.830 14.273 4.408 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.920 12.473 5.913 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.449 11.145 5.667 1.00 0.00 C ATOM 1428 C GLY A 95 -4.298 10.722 4.220 1.00 0.00 C ATOM 1429 O GLY A 95 -5.053 9.881 3.732 1.00 0.00 O ATOM 0 H GLY A 95 -3.319 12.553 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.936 10.428 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.504 11.120 5.942 1.00 0.00 H new ATOM 1433 N LYS A 96 -3.317 11.299 3.531 1.00 0.00 N ATOM 1434 CA LYS A 96 -3.089 10.960 2.128 1.00 0.00 C ATOM 1435 C LYS A 96 -1.839 10.095 1.984 1.00 0.00 C ATOM 1436 O LYS A 96 -1.019 10.019 2.892 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.991 12.243 1.253 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.620 12.543 0.639 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.536 12.679 1.693 1.00 0.00 C ATOM 1440 CE LYS A 96 0.357 13.880 1.418 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.383 15.168 1.522 1.00 0.00 N ATOM 0 H LYS A 96 -2.675 11.994 3.914 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.942 10.384 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.718 12.162 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.287 13.097 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.352 11.746 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.678 13.464 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.994 12.782 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.068 11.772 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.187 13.882 2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.787 13.790 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.139 15.910 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.328 15.060 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.477 15.434 2.523 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.713 9.444 0.838 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.550 8.621 0.562 1.00 0.00 C ATOM 1457 C ILE A 97 -0.015 8.895 -0.829 1.00 0.00 C ATOM 1458 O ILE A 97 -0.627 8.503 -1.806 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.849 7.117 0.648 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.613 6.786 1.925 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.452 6.336 0.597 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.807 6.991 3.189 1.00 0.00 C ATOM 0 H ILE A 97 -2.402 9.471 0.086 1.00 0.00 H new ATOM 0 HA ILE A 97 0.181 8.884 1.326 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.473 6.836 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.509 7.405 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.944 5.749 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.238 5.269 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.968 6.550 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.085 6.628 1.435 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.417 6.735 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.076 6.352 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.498 8.034 3.258 1.00 0.00 H new ATOM 1474 N GLY A 98 1.066 9.649 -0.916 1.00 0.00 N ATOM 1475 CA GLY A 98 1.708 9.901 -2.193 1.00 0.00 C ATOM 1476 C GLY A 98 3.059 9.213 -2.276 1.00 0.00 C ATOM 1477 O GLY A 98 3.553 8.709 -1.280 1.00 0.00 O ATOM 0 H GLY A 98 1.517 10.097 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.067 9.548 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.835 10.974 -2.333 1.00 0.00 H new ATOM 1481 N ALA A 99 3.650 9.176 -3.460 1.00 0.00 N ATOM 1482 CA ALA A 99 4.948 8.529 -3.625 1.00 0.00 C ATOM 1483 C ALA A 99 5.955 9.085 -2.621 1.00 0.00 C ATOM 1484 O ALA A 99 6.651 8.330 -1.944 1.00 0.00 O ATOM 1485 CB ALA A 99 5.454 8.707 -5.046 1.00 0.00 C ATOM 0 H ALA A 99 3.261 9.580 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 99 4.829 7.462 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.423 8.218 -5.151 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.745 8.261 -5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.558 9.770 -5.265 1.00 0.00 H new ATOM 1491 N ASP A 100 6.018 10.408 -2.526 1.00 0.00 N ATOM 1492 CA ASP A 100 6.922 11.064 -1.586 1.00 0.00 C ATOM 1493 C ASP A 100 6.587 10.644 -0.161 1.00 0.00 C ATOM 1494 O ASP A 100 7.465 10.253 0.606 1.00 0.00 O ATOM 1495 CB ASP A 100 6.840 12.587 -1.730 1.00 0.00 C ATOM 1496 CG ASP A 100 5.531 13.161 -1.223 1.00 0.00 C ATOM 1497 OD1 ASP A 100 4.535 13.122 -1.975 1.00 0.00 O ATOM 1498 OD2 ASP A 100 5.503 13.651 -0.075 1.00 0.00 O ATOM 0 H ASP A 100 5.455 11.048 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 100 7.943 10.756 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.666 13.043 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.965 12.854 -2.779 1.00 0.00 H new ATOM 1503 N GLU A 101 5.307 10.719 0.178 1.00 0.00 N ATOM 1504 CA GLU A 101 4.826 10.334 1.496 1.00 0.00 C ATOM 1505 C GLU A 101 5.146 8.867 1.746 1.00 0.00 C ATOM 1506 O GLU A 101 5.752 8.509 2.754 1.00 0.00 O ATOM 1507 CB GLU A 101 3.313 10.573 1.561 1.00 0.00 C ATOM 1508 CG GLU A 101 2.884 11.783 2.381 1.00 0.00 C ATOM 1509 CD GLU A 101 3.882 12.928 2.343 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.852 12.898 3.128 1.00 0.00 O ATOM 1511 OE2 GLU A 101 3.690 13.854 1.527 1.00 0.00 O ATOM 0 H GLU A 101 4.575 11.048 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 101 5.316 10.931 2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.935 10.690 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.838 9.685 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.922 12.138 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.735 11.476 3.416 1.00 0.00 H new ATOM 1518 N PHE A 102 4.727 8.024 0.813 1.00 0.00 N ATOM 1519 CA PHE A 102 4.993 6.599 0.889 1.00 0.00 C ATOM 1520 C PHE A 102 6.490 6.365 1.088 1.00 0.00 C ATOM 1521 O PHE A 102 6.897 5.561 1.927 1.00 0.00 O ATOM 1522 CB PHE A 102 4.507 5.897 -0.384 1.00 0.00 C ATOM 1523 CG PHE A 102 4.685 4.409 -0.317 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.953 3.854 -0.303 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.587 3.567 -0.237 1.00 0.00 C ATOM 1526 CE1 PHE A 102 6.124 2.490 -0.214 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.753 2.198 -0.153 1.00 0.00 C ATOM 1528 CZ PHE A 102 5.025 1.658 -0.140 1.00 0.00 C ATOM 0 H PHE A 102 4.197 8.308 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 102 4.452 6.181 1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.454 6.128 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.053 6.288 -1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.818 4.498 -0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.591 3.985 -0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.119 2.071 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.890 1.551 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.159 0.588 -0.072 1.00 0.00 H new ATOM 1538 N GLN A 103 7.306 7.076 0.307 1.00 0.00 N ATOM 1539 CA GLN A 103 8.763 6.954 0.402 1.00 0.00 C ATOM 1540 C GLN A 103 9.253 7.260 1.815 1.00 0.00 C ATOM 1541 O GLN A 103 10.275 6.734 2.254 1.00 0.00 O ATOM 1542 CB GLN A 103 9.442 7.892 -0.594 1.00 0.00 C ATOM 1543 CG GLN A 103 9.189 7.519 -2.035 1.00 0.00 C ATOM 1544 CD GLN A 103 10.399 6.901 -2.703 1.00 0.00 C ATOM 1545 OE1 GLN A 103 11.223 6.259 -2.052 1.00 0.00 O ATOM 1546 NE2 GLN A 103 10.509 7.093 -4.010 1.00 0.00 N ATOM 0 H GLN A 103 6.984 7.741 -0.397 1.00 0.00 H new ATOM 0 HA GLN A 103 9.026 5.924 0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.090 8.909 -0.422 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.516 7.891 -0.409 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.356 6.818 -2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.889 8.409 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.801 7.632 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.302 6.701 -4.518 1.00 0.00 H new ATOM 1555 N GLU A 104 8.519 8.117 2.523 1.00 0.00 N ATOM 1556 CA GLU A 104 8.898 8.494 3.885 1.00 0.00 C ATOM 1557 C GLU A 104 8.812 7.300 4.832 1.00 0.00 C ATOM 1558 O GLU A 104 9.673 7.113 5.691 1.00 0.00 O ATOM 1559 CB GLU A 104 8.017 9.631 4.407 1.00 0.00 C ATOM 1560 CG GLU A 104 8.212 10.944 3.667 1.00 0.00 C ATOM 1561 CD GLU A 104 9.577 11.555 3.914 1.00 0.00 C ATOM 1562 OE1 GLU A 104 9.722 12.307 4.900 1.00 0.00 O ATOM 1563 OE2 GLU A 104 10.502 11.282 3.119 1.00 0.00 O ATOM 0 H GLU A 104 7.666 8.560 2.181 1.00 0.00 H new ATOM 0 HA GLU A 104 9.932 8.838 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.971 9.333 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.228 9.786 5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 104 8.081 10.777 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.441 11.649 3.977 1.00 0.00 H new ATOM 1570 N MET A 105 7.767 6.497 4.667 1.00 0.00 N ATOM 1571 CA MET A 105 7.556 5.326 5.514 1.00 0.00 C ATOM 1572 C MET A 105 8.725 4.348 5.418 1.00 0.00 C ATOM 1573 O MET A 105 9.268 3.917 6.435 1.00 0.00 O ATOM 1574 CB MET A 105 6.252 4.631 5.129 1.00 0.00 C ATOM 1575 CG MET A 105 5.517 4.026 6.312 1.00 0.00 C ATOM 1576 SD MET A 105 6.386 2.621 7.031 1.00 0.00 S ATOM 1577 CE MET A 105 5.307 2.224 8.405 1.00 0.00 C ATOM 0 H MET A 105 7.051 6.635 3.954 1.00 0.00 H new ATOM 0 HA MET A 105 7.491 5.665 6.548 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.599 5.350 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.468 3.845 4.405 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.377 4.790 7.076 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.524 3.709 5.993 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.894 1.794 9.216 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.815 3.131 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.555 1.505 8.081 1.00 0.00 H new ATOM 1587 N VAL A 106 9.110 4.000 4.193 1.00 0.00 N ATOM 1588 CA VAL A 106 10.220 3.080 3.981 1.00 0.00 C ATOM 1589 C VAL A 106 11.509 3.651 4.565 1.00 0.00 C ATOM 1590 O VAL A 106 12.342 2.920 5.100 1.00 0.00 O ATOM 1591 CB VAL A 106 10.430 2.767 2.484 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.578 4.047 1.686 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.638 1.857 2.283 1.00 0.00 C ATOM 0 H VAL A 106 8.671 4.340 3.337 1.00 0.00 H new ATOM 0 HA VAL A 106 9.967 2.151 4.492 1.00 0.00 H new ATOM 0 HB VAL A 106 9.549 2.239 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.725 3.805 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.677 4.651 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.438 4.607 2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.765 1.651 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.532 2.349 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.481 0.920 2.818 1.00 0.00 H new ATOM 1603 N HIS A 107 11.661 4.966 4.457 1.00 0.00 N ATOM 1604 CA HIS A 107 12.842 5.647 4.976 1.00 0.00 C ATOM 1605 C HIS A 107 12.724 5.880 6.480 1.00 0.00 C ATOM 1606 O HIS A 107 13.728 6.021 7.177 1.00 0.00 O ATOM 1607 CB HIS A 107 13.042 6.982 4.256 1.00 0.00 C ATOM 1608 CG HIS A 107 14.361 7.628 4.548 1.00 0.00 C ATOM 1609 ND1 HIS A 107 15.503 7.373 3.816 1.00 0.00 N ATOM 1610 CD2 HIS A 107 14.718 8.526 5.498 1.00 0.00 C ATOM 1611 CE1 HIS A 107 16.504 8.084 4.304 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.055 8.792 5.323 1.00 0.00 N ATOM 0 H HIS A 107 10.980 5.583 4.014 1.00 0.00 H new ATOM 0 HA HIS A 107 13.707 5.009 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.955 6.822 3.181 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.241 7.664 4.543 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.073 8.953 6.252 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.518 8.085 3.932 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.610 9.433 5.889 1.00 0.00 H new ATOM 1621 N SER A 108 11.490 5.918 6.974 1.00 0.00 N ATOM 1622 CA SER A 108 11.242 6.135 8.395 1.00 0.00 C ATOM 1623 C SER A 108 11.872 5.029 9.236 1.00 0.00 C ATOM 1624 O SER A 108 13.064 5.158 9.585 1.00 0.00 O ATOM 1625 CB SER A 108 9.739 6.205 8.664 1.00 0.00 C ATOM 1626 OG SER A 108 9.474 6.357 10.048 1.00 0.00 O ATOM 1627 OXT SER A 108 11.167 4.044 9.541 1.00 0.00 O ATOM 0 H SER A 108 10.647 5.801 6.412 1.00 0.00 H new ATOM 0 HA SER A 108 11.700 7.083 8.678 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.307 7.041 8.114 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.258 5.299 8.296 1.00 0.00 H new ATOM 0 HG SER A 108 8.506 6.401 10.193 1.00 0.00 H new TER 1633 SER A 108