USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 65 ASN : amide:sc= -1.01 K(o=-2.7,f=-8.2!) USER MOD Set 1.2: A 88 MET CE :methyl -167:sc= -1.73 (180deg=-2.66) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.744 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -172:sc= -1.23 (180deg=-1.74!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.063) USER MOD Single : A 31 THR OG1 : rot 29:sc= 0.212 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.506 F(o=-1.4,f=-0.51) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 47 SER OG : rot -101:sc= 0.333 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HD1:sc= -0.709 F(o=-1.4,f=-0.71) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 160:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0745) USER MOD Single : A 104 HIS : no HE2:sc= -6.96! C(o=-7!,f=-9.1!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 30:sc= 0.855 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.204 19.816 -21.387 1.00 0.00 N ATOM 2 CA GLY A 1 5.732 18.848 -22.362 1.00 0.00 C ATOM 3 C GLY A 1 6.902 18.098 -23.002 1.00 0.00 C ATOM 4 O GLY A 1 8.062 18.395 -22.721 1.00 0.00 O ATOM 0 H1 GLY A 1 5.795 19.599 -20.456 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.241 19.772 -21.328 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.914 20.771 -21.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.061 18.138 -21.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.155 19.357 -23.135 1.00 0.00 H new ATOM 8 N SER A 2 6.557 17.140 -23.850 1.00 0.00 N ATOM 9 CA SER A 2 7.564 16.346 -24.531 1.00 0.00 C ATOM 10 C SER A 2 8.347 15.510 -23.516 1.00 0.00 C ATOM 11 O SER A 2 8.586 15.954 -22.394 1.00 0.00 O ATOM 12 CB SER A 2 8.517 17.234 -25.334 1.00 0.00 C ATOM 13 OG SER A 2 8.217 17.216 -26.727 1.00 0.00 O ATOM 0 H SER A 2 5.594 16.896 -24.081 1.00 0.00 H new ATOM 0 HA SER A 2 7.058 15.679 -25.229 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.458 18.257 -24.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.542 16.898 -25.180 1.00 0.00 H new ATOM 0 HG SER A 2 8.846 17.796 -27.205 1.00 0.00 H new ATOM 19 N SER A 3 8.724 14.315 -23.947 1.00 0.00 N ATOM 20 CA SER A 3 9.475 13.413 -23.089 1.00 0.00 C ATOM 21 C SER A 3 8.633 13.027 -21.872 1.00 0.00 C ATOM 22 O SER A 3 8.076 13.892 -21.197 1.00 0.00 O ATOM 23 CB SER A 3 10.793 14.048 -22.642 1.00 0.00 C ATOM 24 OG SER A 3 11.674 14.276 -23.739 1.00 0.00 O ATOM 0 H SER A 3 8.524 13.950 -24.878 1.00 0.00 H new ATOM 0 HA SER A 3 9.711 12.515 -23.660 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.588 14.993 -22.139 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.280 13.399 -21.915 1.00 0.00 H new ATOM 0 HG SER A 3 12.503 14.684 -23.413 1.00 0.00 H new ATOM 30 N GLY A 4 8.566 11.726 -21.628 1.00 0.00 N ATOM 31 CA GLY A 4 7.801 11.214 -20.503 1.00 0.00 C ATOM 32 C GLY A 4 8.177 9.763 -20.200 1.00 0.00 C ATOM 33 O GLY A 4 7.842 8.858 -20.963 1.00 0.00 O ATOM 0 H GLY A 4 9.029 11.011 -22.190 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.983 11.832 -19.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.735 11.279 -20.723 1.00 0.00 H new ATOM 37 N SER A 5 8.867 9.585 -19.083 1.00 0.00 N ATOM 38 CA SER A 5 9.292 8.259 -18.669 1.00 0.00 C ATOM 39 C SER A 5 8.508 7.821 -17.430 1.00 0.00 C ATOM 40 O SER A 5 7.828 8.631 -16.803 1.00 0.00 O ATOM 41 CB SER A 5 10.795 8.226 -18.384 1.00 0.00 C ATOM 42 OG SER A 5 11.442 7.147 -19.055 1.00 0.00 O ATOM 0 H SER A 5 9.142 10.337 -18.452 1.00 0.00 H new ATOM 0 HA SER A 5 9.089 7.565 -19.485 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.244 9.169 -18.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.959 8.135 -17.310 1.00 0.00 H new ATOM 0 HG SER A 5 12.400 7.161 -18.849 1.00 0.00 H new ATOM 48 N SER A 6 8.629 6.539 -17.115 1.00 0.00 N ATOM 49 CA SER A 6 7.940 5.984 -15.963 1.00 0.00 C ATOM 50 C SER A 6 8.500 4.598 -15.636 1.00 0.00 C ATOM 51 O SER A 6 9.271 4.037 -16.413 1.00 0.00 O ATOM 52 CB SER A 6 6.432 5.902 -16.210 1.00 0.00 C ATOM 53 OG SER A 6 6.119 5.098 -17.344 1.00 0.00 O ATOM 0 H SER A 6 9.194 5.870 -17.638 1.00 0.00 H new ATOM 0 HA SER A 6 8.106 6.646 -15.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.942 5.490 -15.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.034 6.906 -16.357 1.00 0.00 H new ATOM 0 HG SER A 6 5.147 5.070 -17.467 1.00 0.00 H new ATOM 59 N GLY A 7 8.091 4.086 -14.484 1.00 0.00 N ATOM 60 CA GLY A 7 8.542 2.777 -14.045 1.00 0.00 C ATOM 61 C GLY A 7 7.517 1.697 -14.395 1.00 0.00 C ATOM 62 O GLY A 7 6.846 1.783 -15.423 1.00 0.00 O ATOM 0 H GLY A 7 7.452 4.555 -13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.498 2.542 -14.514 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.710 2.789 -12.968 1.00 0.00 H new ATOM 66 N TYR A 8 7.427 0.706 -13.521 1.00 0.00 N ATOM 67 CA TYR A 8 6.494 -0.390 -13.725 1.00 0.00 C ATOM 68 C TYR A 8 5.566 -0.552 -12.519 1.00 0.00 C ATOM 69 O TYR A 8 5.992 -0.385 -11.377 1.00 0.00 O ATOM 70 CB TYR A 8 7.349 -1.650 -13.868 1.00 0.00 C ATOM 71 CG TYR A 8 8.372 -1.839 -12.747 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.960 -2.273 -11.503 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.707 -1.577 -12.979 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.923 -2.450 -10.447 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.670 -1.755 -11.923 1.00 0.00 C ATOM 76 CZ TYR A 8 10.231 -2.183 -10.709 1.00 0.00 C ATOM 77 OH TYR A 8 11.140 -2.351 -9.712 1.00 0.00 O ATOM 0 H TYR A 8 7.985 0.638 -12.670 1.00 0.00 H new ATOM 0 HA TYR A 8 5.871 -0.206 -14.600 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.693 -2.520 -13.898 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.874 -1.614 -14.823 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.916 -2.480 -11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.030 -1.238 -13.953 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.614 -2.787 -9.469 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.718 -1.553 -12.091 1.00 0.00 H new ATOM 0 HH TYR A 8 12.034 -2.124 -10.043 1.00 0.00 H new ATOM 87 N VAL A 9 4.316 -0.875 -12.814 1.00 0.00 N ATOM 88 CA VAL A 9 3.324 -1.061 -11.769 1.00 0.00 C ATOM 89 C VAL A 9 3.255 -2.544 -11.396 1.00 0.00 C ATOM 90 O VAL A 9 3.585 -3.408 -12.207 1.00 0.00 O ATOM 91 CB VAL A 9 1.976 -0.495 -12.219 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.929 -0.624 -11.111 1.00 0.00 C ATOM 93 CG2 VAL A 9 2.117 0.959 -12.673 1.00 0.00 C ATOM 0 H VAL A 9 3.967 -1.013 -13.762 1.00 0.00 H new ATOM 0 HA VAL A 9 3.608 -0.512 -10.871 1.00 0.00 H new ATOM 0 HB VAL A 9 1.634 -1.081 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.020 -0.214 -11.457 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.798 -1.675 -10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.262 -0.075 -10.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.145 1.338 -12.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.492 1.563 -11.847 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.815 1.013 -13.508 1.00 0.00 H new ATOM 103 N PHE A 10 2.825 -2.792 -10.168 1.00 0.00 N ATOM 104 CA PHE A 10 2.708 -4.155 -9.677 1.00 0.00 C ATOM 105 C PHE A 10 1.477 -4.313 -8.783 1.00 0.00 C ATOM 106 O PHE A 10 1.187 -3.445 -7.960 1.00 0.00 O ATOM 107 CB PHE A 10 3.964 -4.442 -8.851 1.00 0.00 C ATOM 108 CG PHE A 10 3.990 -3.736 -7.494 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.450 -2.460 -7.400 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.554 -4.386 -6.381 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.475 -1.805 -6.140 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.578 -3.731 -5.122 1.00 0.00 C ATOM 113 CZ PHE A 10 4.038 -2.454 -5.027 1.00 0.00 C ATOM 0 H PHE A 10 2.553 -2.072 -9.498 1.00 0.00 H new ATOM 0 HA PHE A 10 2.605 -4.844 -10.515 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.044 -5.517 -8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.840 -4.139 -9.424 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.796 -1.944 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.190 -5.400 -6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.841 -0.792 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.231 -4.247 -4.239 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.056 -1.956 -4.069 1.00 0.00 H new ATOM 123 N THR A 11 0.785 -5.426 -8.974 1.00 0.00 N ATOM 124 CA THR A 11 -0.409 -5.709 -8.195 1.00 0.00 C ATOM 125 C THR A 11 -0.034 -6.359 -6.862 1.00 0.00 C ATOM 126 O THR A 11 1.077 -6.863 -6.704 1.00 0.00 O ATOM 127 CB THR A 11 -1.339 -6.570 -9.052 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.783 -5.687 -10.079 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.623 -6.957 -8.314 1.00 0.00 C ATOM 0 H THR A 11 1.028 -6.143 -9.657 1.00 0.00 H new ATOM 0 HA THR A 11 -0.939 -4.793 -7.935 1.00 0.00 H new ATOM 0 HB THR A 11 -0.813 -7.472 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.390 -6.165 -10.682 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.248 -7.567 -8.966 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.371 -7.524 -7.418 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.166 -6.055 -8.031 1.00 0.00 H new ATOM 137 N VAL A 12 -0.983 -6.327 -5.938 1.00 0.00 N ATOM 138 CA VAL A 12 -0.766 -6.908 -4.623 1.00 0.00 C ATOM 139 C VAL A 12 -2.058 -7.573 -4.145 1.00 0.00 C ATOM 140 O VAL A 12 -3.043 -6.893 -3.863 1.00 0.00 O ATOM 141 CB VAL A 12 -0.252 -5.838 -3.658 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.735 -6.436 -2.653 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.380 -4.671 -4.418 1.00 0.00 C ATOM 0 H VAL A 12 -1.903 -5.908 -6.073 1.00 0.00 H new ATOM 0 HA VAL A 12 0.000 -7.682 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.106 -5.451 -3.101 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.086 -5.655 -1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.239 -7.217 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.584 -6.862 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.737 -3.925 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.217 -5.035 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.363 -4.220 -5.075 1.00 0.00 H new ATOM 153 N GLU A 13 -2.012 -8.895 -4.069 1.00 0.00 N ATOM 154 CA GLU A 13 -3.167 -9.660 -3.630 1.00 0.00 C ATOM 155 C GLU A 13 -2.980 -10.120 -2.183 1.00 0.00 C ATOM 156 O GLU A 13 -2.065 -10.886 -1.885 1.00 0.00 O ATOM 157 CB GLU A 13 -3.420 -10.851 -4.556 1.00 0.00 C ATOM 158 CG GLU A 13 -4.086 -10.403 -5.858 1.00 0.00 C ATOM 159 CD GLU A 13 -4.162 -11.555 -6.861 1.00 0.00 C ATOM 160 OE1 GLU A 13 -3.124 -11.812 -7.510 1.00 0.00 O ATOM 161 OE2 GLU A 13 -5.255 -12.154 -6.957 1.00 0.00 O ATOM 0 H GLU A 13 -1.193 -9.456 -4.304 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.044 -9.015 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.477 -11.349 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.054 -11.580 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.089 -10.032 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.525 -9.575 -6.292 1.00 0.00 H new ATOM 168 N LEU A 14 -3.862 -9.634 -1.322 1.00 0.00 N ATOM 169 CA LEU A 14 -3.806 -9.985 0.086 1.00 0.00 C ATOM 170 C LEU A 14 -5.184 -10.467 0.543 1.00 0.00 C ATOM 171 O LEU A 14 -6.162 -10.351 -0.195 1.00 0.00 O ATOM 172 CB LEU A 14 -3.260 -8.817 0.909 1.00 0.00 C ATOM 173 CG LEU A 14 -1.968 -8.179 0.393 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.039 -6.653 0.474 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.749 -8.736 1.131 1.00 0.00 C ATOM 0 H LEU A 14 -4.620 -8.999 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.111 -10.809 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.028 -8.045 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.088 -9.165 1.928 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.855 -8.440 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.108 -6.225 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.871 -6.295 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.188 -6.350 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.156 -8.266 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.841 -8.526 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.692 -9.814 0.978 1.00 0.00 H new ATOM 187 N GLU A 15 -5.218 -10.998 1.756 1.00 0.00 N ATOM 188 CA GLU A 15 -6.461 -11.498 2.320 1.00 0.00 C ATOM 189 C GLU A 15 -6.832 -10.704 3.574 1.00 0.00 C ATOM 190 O GLU A 15 -6.040 -10.610 4.510 1.00 0.00 O ATOM 191 CB GLU A 15 -6.361 -12.993 2.627 1.00 0.00 C ATOM 192 CG GLU A 15 -7.586 -13.476 3.407 1.00 0.00 C ATOM 193 CD GLU A 15 -8.370 -14.517 2.606 1.00 0.00 C ATOM 194 OE1 GLU A 15 -8.872 -14.141 1.524 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.451 -15.665 3.093 1.00 0.00 O ATOM 0 H GLU A 15 -4.405 -11.093 2.364 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.252 -11.364 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.274 -13.554 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.457 -13.190 3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.270 -13.906 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.231 -12.629 3.639 1.00 0.00 H new ATOM 202 N ARG A 16 -8.037 -10.154 3.553 1.00 0.00 N ATOM 203 CA ARG A 16 -8.523 -9.372 4.677 1.00 0.00 C ATOM 204 C ARG A 16 -8.515 -10.215 5.953 1.00 0.00 C ATOM 205 O ARG A 16 -9.341 -11.112 6.114 1.00 0.00 O ATOM 206 CB ARG A 16 -9.942 -8.861 4.420 1.00 0.00 C ATOM 207 CG ARG A 16 -10.323 -7.773 5.426 1.00 0.00 C ATOM 208 CD ARG A 16 -11.831 -7.513 5.407 1.00 0.00 C ATOM 209 NE ARG A 16 -12.375 -7.593 6.781 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.579 -7.126 7.141 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.371 -6.544 6.231 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.990 -7.242 8.411 1.00 0.00 N ATOM 0 H ARG A 16 -8.692 -10.234 2.775 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.858 -8.517 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.012 -8.465 3.407 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.648 -9.688 4.489 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.015 -8.074 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.789 -6.852 5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.034 -6.529 4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.326 -8.244 4.768 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.798 -8.031 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.058 -6.456 5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.287 -6.189 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.387 -7.686 9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.906 -6.887 8.685 1.00 0.00 H new ATOM 226 N GLY A 17 -7.572 -9.897 6.828 1.00 0.00 N ATOM 227 CA GLY A 17 -7.445 -10.615 8.086 1.00 0.00 C ATOM 228 C GLY A 17 -8.618 -10.301 9.017 1.00 0.00 C ATOM 229 O GLY A 17 -9.538 -9.576 8.640 1.00 0.00 O ATOM 0 H GLY A 17 -6.889 -9.152 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.405 -11.687 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.508 -10.343 8.571 1.00 0.00 H new ATOM 233 N PRO A 18 -8.546 -10.877 10.246 1.00 0.00 N ATOM 234 CA PRO A 18 -9.591 -10.666 11.234 1.00 0.00 C ATOM 235 C PRO A 18 -9.493 -9.267 11.845 1.00 0.00 C ATOM 236 O PRO A 18 -10.376 -8.849 12.593 1.00 0.00 O ATOM 237 CB PRO A 18 -9.397 -11.775 12.255 1.00 0.00 C ATOM 238 CG PRO A 18 -7.978 -12.282 12.055 1.00 0.00 C ATOM 239 CD PRO A 18 -7.472 -11.741 10.728 1.00 0.00 C ATOM 0 HA PRO A 18 -10.592 -10.710 10.804 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.539 -11.401 13.269 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.122 -12.575 12.105 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.336 -11.952 12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.959 -13.372 12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.543 -11.185 10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.266 -12.547 10.024 1.00 0.00 H new ATOM 247 N SER A 19 -8.411 -8.581 11.505 1.00 0.00 N ATOM 248 CA SER A 19 -8.187 -7.238 12.011 1.00 0.00 C ATOM 249 C SER A 19 -8.517 -6.209 10.928 1.00 0.00 C ATOM 250 O SER A 19 -8.728 -5.034 11.227 1.00 0.00 O ATOM 251 CB SER A 19 -6.743 -7.063 12.486 1.00 0.00 C ATOM 252 OG SER A 19 -6.315 -8.148 13.303 1.00 0.00 O ATOM 0 H SER A 19 -7.680 -8.931 10.885 1.00 0.00 H new ATOM 0 HA SER A 19 -8.845 -7.080 12.866 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.085 -6.979 11.621 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.656 -6.132 13.045 1.00 0.00 H new ATOM 0 HG SER A 19 -5.388 -8.000 13.584 1.00 0.00 H new ATOM 258 N GLY A 20 -8.553 -6.687 9.693 1.00 0.00 N ATOM 259 CA GLY A 20 -8.854 -5.823 8.564 1.00 0.00 C ATOM 260 C GLY A 20 -7.572 -5.369 7.863 1.00 0.00 C ATOM 261 O GLY A 20 -7.415 -4.189 7.553 1.00 0.00 O ATOM 0 H GLY A 20 -8.379 -7.662 9.449 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.492 -6.353 7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.413 -4.952 8.907 1.00 0.00 H new ATOM 265 N LEU A 21 -6.688 -6.329 7.635 1.00 0.00 N ATOM 266 CA LEU A 21 -5.425 -6.043 6.977 1.00 0.00 C ATOM 267 C LEU A 21 -4.509 -5.292 7.945 1.00 0.00 C ATOM 268 O LEU A 21 -4.674 -5.387 9.161 1.00 0.00 O ATOM 269 CB LEU A 21 -5.664 -5.304 5.658 1.00 0.00 C ATOM 270 CG LEU A 21 -6.712 -5.916 4.727 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.657 -4.842 4.185 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.047 -6.714 3.603 1.00 0.00 C ATOM 0 H LEU A 21 -6.822 -7.306 7.895 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.916 -6.969 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.963 -4.281 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.718 -5.247 5.120 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.316 -6.615 5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.392 -5.303 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.169 -4.355 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.084 -4.101 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.814 -7.139 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.404 -6.055 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.449 -7.518 4.032 1.00 0.00 H new ATOM 284 N GLY A 22 -3.563 -4.564 7.371 1.00 0.00 N ATOM 285 CA GLY A 22 -2.621 -3.797 8.168 1.00 0.00 C ATOM 286 C GLY A 22 -1.883 -2.770 7.307 1.00 0.00 C ATOM 287 O GLY A 22 -0.654 -2.750 7.274 1.00 0.00 O ATOM 0 H GLY A 22 -3.428 -4.489 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.150 -3.288 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.902 -4.470 8.635 1.00 0.00 H new ATOM 291 N MET A 23 -2.665 -1.941 6.632 1.00 0.00 N ATOM 292 CA MET A 23 -2.102 -0.912 5.774 1.00 0.00 C ATOM 293 C MET A 23 -2.472 0.485 6.276 1.00 0.00 C ATOM 294 O MET A 23 -3.588 0.952 6.054 1.00 0.00 O ATOM 295 CB MET A 23 -2.622 -1.097 4.346 1.00 0.00 C ATOM 296 CG MET A 23 -1.467 -1.153 3.345 1.00 0.00 C ATOM 297 SD MET A 23 -2.104 -1.146 1.677 1.00 0.00 S ATOM 298 CE MET A 23 -3.645 -2.012 1.931 1.00 0.00 C ATOM 0 H MET A 23 -3.684 -1.961 6.662 1.00 0.00 H new ATOM 0 HA MET A 23 -1.016 -1.006 5.790 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.206 -2.015 4.284 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.291 -0.275 4.089 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.804 -0.300 3.494 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.873 -2.051 3.512 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.107 -2.222 0.967 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.454 -2.949 2.454 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.316 -1.394 2.528 1.00 0.00 H new ATOM 308 N GLY A 24 -1.514 1.112 6.943 1.00 0.00 N ATOM 309 CA GLY A 24 -1.726 2.446 7.478 1.00 0.00 C ATOM 310 C GLY A 24 -1.733 3.491 6.360 1.00 0.00 C ATOM 311 O GLY A 24 -0.811 4.297 6.254 1.00 0.00 O ATOM 0 H GLY A 24 -0.590 0.721 7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.673 2.479 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.941 2.682 8.197 1.00 0.00 H new ATOM 315 N LEU A 25 -2.784 3.442 5.555 1.00 0.00 N ATOM 316 CA LEU A 25 -2.923 4.374 4.449 1.00 0.00 C ATOM 317 C LEU A 25 -3.325 5.747 4.992 1.00 0.00 C ATOM 318 O LEU A 25 -3.912 5.845 6.068 1.00 0.00 O ATOM 319 CB LEU A 25 -3.890 3.820 3.400 1.00 0.00 C ATOM 320 CG LEU A 25 -3.733 2.337 3.060 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.929 1.831 2.250 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.406 2.075 2.347 1.00 0.00 C ATOM 0 H LEU A 25 -3.547 2.772 5.647 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.970 4.501 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.909 3.986 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.770 4.397 2.483 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.713 1.773 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.793 0.774 2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.843 1.962 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.005 2.396 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.320 1.013 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.370 2.651 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.581 2.374 2.993 1.00 0.00 H new ATOM 334 N ILE A 26 -2.992 6.772 4.222 1.00 0.00 N ATOM 335 CA ILE A 26 -3.311 8.135 4.612 1.00 0.00 C ATOM 336 C ILE A 26 -3.528 8.983 3.357 1.00 0.00 C ATOM 337 O ILE A 26 -2.999 8.669 2.292 1.00 0.00 O ATOM 338 CB ILE A 26 -2.236 8.689 5.550 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.624 10.075 6.071 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.865 8.695 4.871 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.122 10.283 7.501 1.00 0.00 C ATOM 0 H ILE A 26 -2.505 6.686 3.330 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.241 8.161 5.179 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.164 8.029 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.206 10.842 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.708 10.188 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.120 9.093 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.593 7.677 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.904 9.319 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.411 11.275 7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.561 9.529 8.154 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.036 10.193 7.522 1.00 0.00 H new ATOM 353 N ASP A 27 -4.307 10.041 3.525 1.00 0.00 N ATOM 354 CA ASP A 27 -4.601 10.937 2.419 1.00 0.00 C ATOM 355 C ASP A 27 -3.368 11.791 2.118 1.00 0.00 C ATOM 356 O ASP A 27 -2.892 12.526 2.982 1.00 0.00 O ATOM 357 CB ASP A 27 -5.756 11.879 2.765 1.00 0.00 C ATOM 358 CG ASP A 27 -6.440 12.532 1.562 1.00 0.00 C ATOM 359 OD1 ASP A 27 -6.189 12.051 0.436 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.200 13.497 1.796 1.00 0.00 O ATOM 0 H ASP A 27 -4.744 10.298 4.410 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.877 10.329 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.503 11.322 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.381 12.664 3.421 1.00 0.00 H new ATOM 365 N GLY A 28 -2.885 11.665 0.890 1.00 0.00 N ATOM 366 CA GLY A 28 -1.717 12.416 0.465 1.00 0.00 C ATOM 367 C GLY A 28 -1.727 13.828 1.055 1.00 0.00 C ATOM 368 O GLY A 28 -0.672 14.413 1.293 1.00 0.00 O ATOM 0 H GLY A 28 -3.282 11.054 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.812 11.894 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.693 12.473 -0.623 1.00 0.00 H new ATOM 372 N MET A 29 -2.932 14.334 1.274 1.00 0.00 N ATOM 373 CA MET A 29 -3.094 15.666 1.832 1.00 0.00 C ATOM 374 C MET A 29 -2.520 15.741 3.248 1.00 0.00 C ATOM 375 O MET A 29 -1.753 16.649 3.563 1.00 0.00 O ATOM 376 CB MET A 29 -4.580 16.029 1.864 1.00 0.00 C ATOM 377 CG MET A 29 -5.234 15.782 0.503 1.00 0.00 C ATOM 378 SD MET A 29 -4.222 16.473 -0.795 1.00 0.00 S ATOM 379 CE MET A 29 -5.030 18.050 -1.011 1.00 0.00 C ATOM 0 H MET A 29 -3.805 13.846 1.075 1.00 0.00 H new ATOM 0 HA MET A 29 -2.552 16.371 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.086 15.438 2.627 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.696 17.076 2.143 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.365 14.712 0.342 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.227 16.232 0.480 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.521 18.616 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.069 17.890 -1.297 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.993 18.609 -0.076 1.00 0.00 H new ATOM 389 N HIS A 30 -2.913 14.774 4.064 1.00 0.00 N ATOM 390 CA HIS A 30 -2.447 14.719 5.439 1.00 0.00 C ATOM 391 C HIS A 30 -0.917 14.694 5.462 1.00 0.00 C ATOM 392 O HIS A 30 -0.298 15.232 6.378 1.00 0.00 O ATOM 393 CB HIS A 30 -3.070 13.533 6.177 1.00 0.00 C ATOM 394 CG HIS A 30 -4.278 13.893 7.009 1.00 0.00 C ATOM 395 ND1 HIS A 30 -4.789 13.060 7.989 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.069 15.004 6.997 1.00 0.00 C ATOM 397 CE1 HIS A 30 -5.841 13.653 8.535 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.013 14.857 7.919 1.00 0.00 N ATOM 0 H HIS A 30 -3.549 14.022 3.799 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.769 15.614 5.972 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.356 12.775 5.448 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.316 13.085 6.824 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -4.948 15.858 6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.454 13.253 9.329 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.746 15.534 8.131 1.00 0.00 H new ATOM 406 N THR A 31 -0.353 14.064 4.442 1.00 0.00 N ATOM 407 CA THR A 31 1.093 13.962 4.334 1.00 0.00 C ATOM 408 C THR A 31 1.664 15.200 3.640 1.00 0.00 C ATOM 409 O THR A 31 0.915 16.030 3.127 1.00 0.00 O ATOM 410 CB THR A 31 1.421 12.654 3.611 1.00 0.00 C ATOM 411 OG1 THR A 31 0.575 12.670 2.464 1.00 0.00 O ATOM 412 CG2 THR A 31 0.965 11.421 4.393 1.00 0.00 C ATOM 0 H THR A 31 -0.870 13.619 3.684 1.00 0.00 H new ATOM 0 HA THR A 31 1.563 13.934 5.317 1.00 0.00 H new ATOM 0 HB THR A 31 2.495 12.596 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.397 13.597 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.222 10.521 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.462 11.401 5.363 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.114 11.461 4.539 1.00 0.00 H new ATOM 420 N HIS A 32 2.987 15.285 3.647 1.00 0.00 N ATOM 421 CA HIS A 32 3.667 16.408 3.025 1.00 0.00 C ATOM 422 C HIS A 32 3.409 16.393 1.517 1.00 0.00 C ATOM 423 O HIS A 32 3.626 17.395 0.837 1.00 0.00 O ATOM 424 CB HIS A 32 5.158 16.400 3.371 1.00 0.00 C ATOM 425 CG HIS A 32 5.602 17.579 4.202 1.00 0.00 C ATOM 426 ND1 HIS A 32 5.378 17.663 5.566 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.259 18.721 3.849 1.00 0.00 C ATOM 428 CE1 HIS A 32 5.882 18.808 6.003 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.426 19.463 4.937 1.00 0.00 N ATOM 0 H HIS A 32 3.605 14.595 4.073 1.00 0.00 H new ATOM 0 HA HIS A 32 3.267 17.343 3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.391 15.481 3.909 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.735 16.383 2.446 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.588 18.978 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.865 19.161 7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.885 20.373 4.970 1.00 0.00 H new ATOM 437 N LEU A 33 2.949 15.246 1.039 1.00 0.00 N ATOM 438 CA LEU A 33 2.659 15.088 -0.376 1.00 0.00 C ATOM 439 C LEU A 33 1.781 16.250 -0.845 1.00 0.00 C ATOM 440 O LEU A 33 1.839 16.647 -2.008 1.00 0.00 O ATOM 441 CB LEU A 33 2.052 13.710 -0.647 1.00 0.00 C ATOM 442 CG LEU A 33 2.325 13.118 -2.031 1.00 0.00 C ATOM 443 CD1 LEU A 33 3.646 12.347 -2.047 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.152 12.254 -2.499 1.00 0.00 C ATOM 0 H LEU A 33 2.770 14.417 1.606 1.00 0.00 H new ATOM 0 HA LEU A 33 3.578 15.127 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.428 13.015 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.973 13.776 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 33 2.423 13.940 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.816 11.937 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.463 13.020 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.602 11.534 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.372 11.845 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.998 11.437 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.250 12.863 -2.552 1.00 0.00 H new ATOM 456 N GLY A 34 0.988 16.764 0.084 1.00 0.00 N ATOM 457 CA GLY A 34 0.099 17.872 -0.220 1.00 0.00 C ATOM 458 C GLY A 34 -0.649 17.631 -1.533 1.00 0.00 C ATOM 459 O GLY A 34 -1.063 18.579 -2.198 1.00 0.00 O ATOM 0 H GLY A 34 0.943 16.433 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.617 18.002 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.674 18.796 -0.289 1.00 0.00 H new ATOM 463 N ALA A 35 -0.798 16.358 -1.867 1.00 0.00 N ATOM 464 CA ALA A 35 -1.489 15.980 -3.088 1.00 0.00 C ATOM 465 C ALA A 35 -2.581 14.961 -2.757 1.00 0.00 C ATOM 466 O ALA A 35 -2.417 14.141 -1.855 1.00 0.00 O ATOM 467 CB ALA A 35 -0.477 15.442 -4.101 1.00 0.00 C ATOM 0 H ALA A 35 -0.452 15.575 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.973 16.846 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.995 15.158 -5.017 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.259 16.214 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.027 14.570 -3.684 1.00 0.00 H new ATOM 473 N PRO A 36 -3.701 15.049 -3.524 1.00 0.00 N ATOM 474 CA PRO A 36 -4.820 14.144 -3.321 1.00 0.00 C ATOM 475 C PRO A 36 -4.507 12.752 -3.875 1.00 0.00 C ATOM 476 O PRO A 36 -3.988 12.624 -4.983 1.00 0.00 O ATOM 477 CB PRO A 36 -5.995 14.810 -4.018 1.00 0.00 C ATOM 478 CG PRO A 36 -5.392 15.825 -4.975 1.00 0.00 C ATOM 479 CD PRO A 36 -3.930 16.008 -4.601 1.00 0.00 C ATOM 0 HA PRO A 36 -5.041 13.978 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.597 14.077 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.652 15.296 -3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.482 15.479 -6.005 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.924 16.774 -4.910 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.276 15.813 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.730 17.028 -4.273 1.00 0.00 H new ATOM 487 N GLY A 37 -4.836 11.746 -3.079 1.00 0.00 N ATOM 488 CA GLY A 37 -4.597 10.369 -3.476 1.00 0.00 C ATOM 489 C GLY A 37 -4.432 9.466 -2.251 1.00 0.00 C ATOM 490 O GLY A 37 -4.464 9.941 -1.117 1.00 0.00 O ATOM 0 H GLY A 37 -5.266 11.857 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.428 10.013 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.701 10.315 -4.095 1.00 0.00 H new ATOM 494 N LEU A 38 -4.259 8.181 -2.522 1.00 0.00 N ATOM 495 CA LEU A 38 -4.089 7.208 -1.457 1.00 0.00 C ATOM 496 C LEU A 38 -2.688 6.600 -1.546 1.00 0.00 C ATOM 497 O LEU A 38 -2.192 6.331 -2.639 1.00 0.00 O ATOM 498 CB LEU A 38 -5.213 6.170 -1.495 1.00 0.00 C ATOM 499 CG LEU A 38 -6.006 5.992 -0.199 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.290 5.035 0.756 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.296 7.344 0.456 1.00 0.00 C ATOM 0 H LEU A 38 -4.233 7.791 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.166 7.692 -0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.908 6.445 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.782 5.207 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.967 5.541 -0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.875 4.927 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.178 4.061 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.306 5.434 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.861 7.189 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.356 7.845 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.878 7.962 -0.228 1.00 0.00 H new ATOM 513 N TYR A 39 -2.089 6.401 -0.381 1.00 0.00 N ATOM 514 CA TYR A 39 -0.755 5.830 -0.313 1.00 0.00 C ATOM 515 C TYR A 39 -0.556 5.053 0.990 1.00 0.00 C ATOM 516 O TYR A 39 -1.385 5.131 1.895 1.00 0.00 O ATOM 517 CB TYR A 39 0.213 7.015 -0.339 1.00 0.00 C ATOM 518 CG TYR A 39 -0.079 8.033 -1.444 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.974 9.059 -1.218 1.00 0.00 C ATOM 520 CD2 TYR A 39 0.553 7.924 -2.666 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.248 10.017 -2.258 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.278 8.882 -3.706 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.609 9.881 -3.451 1.00 0.00 C ATOM 524 OH TYR A 39 -0.868 10.785 -4.433 1.00 0.00 O ATOM 0 H TYR A 39 -2.503 6.625 0.524 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.592 5.138 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.178 7.521 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.228 6.639 -0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.469 9.143 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.253 7.121 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.945 10.825 -2.094 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.765 8.809 -4.667 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.340 10.564 -5.228 1.00 0.00 H new ATOM 534 N ILE A 40 0.548 4.322 1.043 1.00 0.00 N ATOM 535 CA ILE A 40 0.866 3.532 2.220 1.00 0.00 C ATOM 536 C ILE A 40 1.760 4.352 3.153 1.00 0.00 C ATOM 537 O ILE A 40 2.756 4.927 2.717 1.00 0.00 O ATOM 538 CB ILE A 40 1.470 2.186 1.815 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.555 1.447 0.837 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.798 1.339 3.046 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.176 0.118 0.402 1.00 0.00 C ATOM 0 H ILE A 40 1.233 4.260 0.290 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.041 3.294 2.775 1.00 0.00 H new ATOM 0 HB ILE A 40 2.410 2.375 1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.412 1.264 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.373 2.071 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.226 0.388 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.516 1.869 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.886 1.156 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.505 -0.387 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.131 0.306 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.335 -0.513 1.276 1.00 0.00 H new ATOM 553 N GLN A 41 1.373 4.378 4.420 1.00 0.00 N ATOM 554 CA GLN A 41 2.127 5.117 5.418 1.00 0.00 C ATOM 555 C GLN A 41 2.860 4.152 6.351 1.00 0.00 C ATOM 556 O GLN A 41 3.989 4.418 6.762 1.00 0.00 O ATOM 557 CB GLN A 41 1.215 6.058 6.208 1.00 0.00 C ATOM 558 CG GLN A 41 1.983 7.291 6.689 1.00 0.00 C ATOM 559 CD GLN A 41 1.478 7.752 8.058 1.00 0.00 C ATOM 560 OE1 GLN A 41 0.933 8.965 8.052 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 1.577 7.053 9.053 1.00 0.00 N flip ATOM 0 H GLN A 41 0.547 3.899 4.778 1.00 0.00 H new ATOM 0 HA GLN A 41 2.869 5.729 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.377 6.368 5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.796 5.530 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.047 7.061 6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.871 8.099 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.007 6.130 8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.230 7.391 9.951 1.00 0.00 H new ATOM 570 N THR A 42 2.190 3.052 6.658 1.00 0.00 N ATOM 571 CA THR A 42 2.764 2.046 7.536 1.00 0.00 C ATOM 572 C THR A 42 2.270 0.652 7.144 1.00 0.00 C ATOM 573 O THR A 42 1.431 0.514 6.254 1.00 0.00 O ATOM 574 CB THR A 42 2.425 2.427 8.978 1.00 0.00 C ATOM 575 OG1 THR A 42 1.126 3.007 8.888 1.00 0.00 O ATOM 576 CG2 THR A 42 3.304 3.563 9.506 1.00 0.00 C ATOM 0 H THR A 42 1.255 2.835 6.315 1.00 0.00 H new ATOM 0 HA THR A 42 3.849 2.011 7.441 1.00 0.00 H new ATOM 0 HB THR A 42 2.537 1.553 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.828 3.281 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.022 3.794 10.533 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.350 3.257 9.477 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.167 4.448 8.884 1.00 0.00 H new ATOM 584 N LEU A 43 2.810 -0.346 7.827 1.00 0.00 N ATOM 585 CA LEU A 43 2.435 -1.725 7.562 1.00 0.00 C ATOM 586 C LEU A 43 2.342 -2.487 8.885 1.00 0.00 C ATOM 587 O LEU A 43 3.354 -2.936 9.419 1.00 0.00 O ATOM 588 CB LEU A 43 3.397 -2.357 6.554 1.00 0.00 C ATOM 589 CG LEU A 43 3.395 -1.746 5.151 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.709 -2.039 4.424 1.00 0.00 C ATOM 591 CD2 LEU A 43 2.180 -2.216 4.349 1.00 0.00 C ATOM 0 H LEU A 43 3.505 -0.227 8.564 1.00 0.00 H new ATOM 0 HA LEU A 43 1.449 -1.770 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.408 -2.291 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.157 -3.417 6.468 1.00 0.00 H new ATOM 0 HG LEU A 43 3.316 -0.663 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.682 -1.594 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.540 -1.615 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.843 -3.117 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.203 -1.767 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.203 -3.302 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.267 -1.915 4.862 1.00 0.00 H new ATOM 603 N LEU A 44 1.117 -2.610 9.375 1.00 0.00 N ATOM 604 CA LEU A 44 0.878 -3.311 10.626 1.00 0.00 C ATOM 605 C LEU A 44 1.691 -4.607 10.642 1.00 0.00 C ATOM 606 O LEU A 44 1.822 -5.275 9.617 1.00 0.00 O ATOM 607 CB LEU A 44 -0.621 -3.522 10.843 1.00 0.00 C ATOM 608 CG LEU A 44 -1.089 -3.559 12.300 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.455 -2.887 12.454 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.089 -4.990 12.840 1.00 0.00 C ATOM 0 H LEU A 44 0.279 -2.236 8.929 1.00 0.00 H new ATOM 0 HA LEU A 44 1.217 -2.711 11.471 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.158 -2.724 10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.909 -4.459 10.366 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.381 -2.989 12.901 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.764 -2.927 13.498 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.387 -1.847 12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.188 -3.408 11.838 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.425 -4.988 13.877 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.761 -5.605 12.242 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.080 -5.399 12.787 1.00 0.00 H new ATOM 622 N PRO A 45 2.229 -4.932 11.848 1.00 0.00 N ATOM 623 CA PRO A 45 3.025 -6.137 12.011 1.00 0.00 C ATOM 624 C PRO A 45 2.137 -7.383 12.032 1.00 0.00 C ATOM 625 O PRO A 45 0.996 -7.328 12.487 1.00 0.00 O ATOM 626 CB PRO A 45 3.790 -5.930 13.309 1.00 0.00 C ATOM 627 CG PRO A 45 3.050 -4.834 14.058 1.00 0.00 C ATOM 628 CD PRO A 45 2.095 -4.165 13.083 1.00 0.00 C ATOM 0 HA PRO A 45 3.712 -6.303 11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.823 -6.849 13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.822 -5.640 13.112 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.502 -5.252 14.903 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.754 -4.107 14.463 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.070 -4.187 13.454 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.355 -3.118 12.929 1.00 0.00 H new ATOM 636 N GLY A 46 2.695 -8.476 11.535 1.00 0.00 N ATOM 637 CA GLY A 46 1.968 -9.734 11.491 1.00 0.00 C ATOM 638 C GLY A 46 0.715 -9.613 10.620 1.00 0.00 C ATOM 639 O GLY A 46 -0.149 -10.488 10.644 1.00 0.00 O ATOM 0 H GLY A 46 3.642 -8.517 11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.615 -10.518 11.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.686 -10.031 12.501 1.00 0.00 H new ATOM 643 N SER A 47 0.657 -8.521 9.872 1.00 0.00 N ATOM 644 CA SER A 47 -0.476 -8.274 8.996 1.00 0.00 C ATOM 645 C SER A 47 -0.180 -8.812 7.595 1.00 0.00 C ATOM 646 O SER A 47 0.950 -9.198 7.300 1.00 0.00 O ATOM 647 CB SER A 47 -0.807 -6.781 8.932 1.00 0.00 C ATOM 648 OG SER A 47 -0.256 -6.161 7.774 1.00 0.00 O ATOM 0 H SER A 47 1.376 -7.798 9.854 1.00 0.00 H new ATOM 0 HA SER A 47 -1.343 -8.794 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.889 -6.649 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.424 -6.286 9.825 1.00 0.00 H new ATOM 0 HG SER A 47 0.561 -5.679 8.019 1.00 0.00 H new ATOM 654 N PRO A 48 -1.243 -8.822 6.747 1.00 0.00 N ATOM 655 CA PRO A 48 -1.109 -9.307 5.383 1.00 0.00 C ATOM 656 C PRO A 48 -0.376 -8.288 4.509 1.00 0.00 C ATOM 657 O PRO A 48 0.436 -8.660 3.663 1.00 0.00 O ATOM 658 CB PRO A 48 -2.531 -9.574 4.919 1.00 0.00 C ATOM 659 CG PRO A 48 -3.432 -8.795 5.864 1.00 0.00 C ATOM 660 CD PRO A 48 -2.596 -8.373 7.061 1.00 0.00 C ATOM 0 HA PRO A 48 -0.506 -10.212 5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.673 -9.249 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.759 -10.639 4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.848 -7.922 5.362 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.273 -9.410 6.183 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.631 -7.293 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.962 -8.831 7.980 1.00 0.00 H new ATOM 668 N ALA A 49 -0.689 -7.022 4.742 1.00 0.00 N ATOM 669 CA ALA A 49 -0.070 -5.946 3.986 1.00 0.00 C ATOM 670 C ALA A 49 1.441 -5.966 4.224 1.00 0.00 C ATOM 671 O ALA A 49 2.201 -5.370 3.461 1.00 0.00 O ATOM 672 CB ALA A 49 -0.705 -4.612 4.382 1.00 0.00 C ATOM 0 H ALA A 49 -1.363 -6.717 5.444 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.238 -6.082 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.241 -3.805 3.815 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.773 -4.639 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.555 -4.440 5.448 1.00 0.00 H new ATOM 678 N ALA A 50 1.833 -6.657 5.284 1.00 0.00 N ATOM 679 CA ALA A 50 3.240 -6.762 5.631 1.00 0.00 C ATOM 680 C ALA A 50 3.766 -8.133 5.202 1.00 0.00 C ATOM 681 O ALA A 50 4.857 -8.236 4.644 1.00 0.00 O ATOM 682 CB ALA A 50 3.415 -6.513 7.131 1.00 0.00 C ATOM 0 H ALA A 50 1.200 -7.150 5.914 1.00 0.00 H new ATOM 0 HA ALA A 50 3.823 -6.006 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.470 -6.592 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.053 -5.515 7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.846 -7.255 7.692 1.00 0.00 H new ATOM 688 N ALA A 51 2.965 -9.151 5.479 1.00 0.00 N ATOM 689 CA ALA A 51 3.336 -10.512 5.128 1.00 0.00 C ATOM 690 C ALA A 51 3.852 -10.540 3.688 1.00 0.00 C ATOM 691 O ALA A 51 4.786 -11.276 3.374 1.00 0.00 O ATOM 692 CB ALA A 51 2.137 -11.438 5.336 1.00 0.00 C ATOM 0 H ALA A 51 2.061 -9.061 5.942 1.00 0.00 H new ATOM 0 HA ALA A 51 4.139 -10.869 5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.415 -12.458 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.828 -11.404 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.312 -11.112 4.703 1.00 0.00 H new ATOM 698 N ASP A 52 3.221 -9.730 2.851 1.00 0.00 N ATOM 699 CA ASP A 52 3.604 -9.653 1.452 1.00 0.00 C ATOM 700 C ASP A 52 5.061 -9.196 1.351 1.00 0.00 C ATOM 701 O ASP A 52 5.893 -9.887 0.767 1.00 0.00 O ATOM 702 CB ASP A 52 2.738 -8.642 0.698 1.00 0.00 C ATOM 703 CG ASP A 52 2.892 -8.666 -0.824 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.921 -8.140 -1.299 1.00 0.00 O ATOM 705 OD2 ASP A 52 1.976 -9.210 -1.478 1.00 0.00 O ATOM 0 H ASP A 52 2.447 -9.121 3.115 1.00 0.00 H new ATOM 0 HA ASP A 52 3.471 -10.641 1.011 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.693 -8.826 0.945 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.979 -7.641 1.057 1.00 0.00 H new ATOM 710 N GLY A 53 5.324 -8.033 1.930 1.00 0.00 N ATOM 711 CA GLY A 53 6.666 -7.475 1.912 1.00 0.00 C ATOM 712 C GLY A 53 6.764 -6.315 0.920 1.00 0.00 C ATOM 713 O GLY A 53 7.090 -5.192 1.303 1.00 0.00 O ATOM 0 H GLY A 53 4.631 -7.462 2.414 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.933 -7.128 2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.383 -8.251 1.642 1.00 0.00 H new ATOM 717 N ARG A 54 6.476 -6.625 -0.335 1.00 0.00 N ATOM 718 CA ARG A 54 6.528 -5.622 -1.385 1.00 0.00 C ATOM 719 C ARG A 54 5.944 -4.300 -0.885 1.00 0.00 C ATOM 720 O ARG A 54 6.610 -3.266 -0.930 1.00 0.00 O ATOM 721 CB ARG A 54 5.752 -6.079 -2.622 1.00 0.00 C ATOM 722 CG ARG A 54 6.452 -5.628 -3.906 1.00 0.00 C ATOM 723 CD ARG A 54 6.593 -4.105 -3.948 1.00 0.00 C ATOM 724 NE ARG A 54 7.106 -3.680 -5.269 1.00 0.00 N ATOM 725 CZ ARG A 54 8.406 -3.635 -5.591 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.332 -3.989 -4.689 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.780 -3.237 -6.814 1.00 0.00 N ATOM 0 H ARG A 54 6.206 -7.557 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 54 7.574 -5.481 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.659 -7.165 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.741 -5.672 -2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.437 -6.090 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.885 -5.968 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.628 -3.637 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.271 -3.773 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 54 6.428 -3.404 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.047 -4.293 -3.758 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.322 -3.955 -4.934 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.075 -2.968 -7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.770 -3.203 -7.059 1.00 0.00 H new ATOM 741 N LEU A 55 4.705 -4.375 -0.420 1.00 0.00 N ATOM 742 CA LEU A 55 4.024 -3.196 0.088 1.00 0.00 C ATOM 743 C LEU A 55 5.009 -2.354 0.901 1.00 0.00 C ATOM 744 O LEU A 55 5.484 -2.788 1.949 1.00 0.00 O ATOM 745 CB LEU A 55 2.769 -3.596 0.866 1.00 0.00 C ATOM 746 CG LEU A 55 1.448 -3.507 0.099 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.615 -3.997 -1.340 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.335 -4.257 0.835 1.00 0.00 C ATOM 0 H LEU A 55 4.155 -5.234 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 55 3.676 -2.573 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.894 -4.620 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.696 -2.963 1.750 1.00 0.00 H new ATOM 0 HG LEU A 55 1.152 -2.459 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.661 -3.923 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.357 -3.382 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.946 -5.035 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.593 -4.178 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.610 -5.307 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.195 -3.821 1.824 1.00 0.00 H new ATOM 760 N SER A 56 5.286 -1.164 0.387 1.00 0.00 N ATOM 761 CA SER A 56 6.206 -0.257 1.052 1.00 0.00 C ATOM 762 C SER A 56 5.475 1.024 1.459 1.00 0.00 C ATOM 763 O SER A 56 4.279 1.167 1.208 1.00 0.00 O ATOM 764 CB SER A 56 7.399 0.075 0.154 1.00 0.00 C ATOM 765 OG SER A 56 7.002 0.772 -1.024 1.00 0.00 O ATOM 0 H SER A 56 4.889 -0.807 -0.482 1.00 0.00 H new ATOM 0 HA SER A 56 6.586 -0.751 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.114 0.681 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.911 -0.846 -0.125 1.00 0.00 H new ATOM 0 HG SER A 56 7.792 0.967 -1.570 1.00 0.00 H new ATOM 771 N LEU A 57 6.224 1.923 2.080 1.00 0.00 N ATOM 772 CA LEU A 57 5.662 3.187 2.524 1.00 0.00 C ATOM 773 C LEU A 57 5.787 4.218 1.400 1.00 0.00 C ATOM 774 O LEU A 57 6.861 4.387 0.824 1.00 0.00 O ATOM 775 CB LEU A 57 6.309 3.629 3.838 1.00 0.00 C ATOM 776 CG LEU A 57 6.371 2.573 4.943 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.633 3.220 6.305 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.106 1.713 4.951 1.00 0.00 C ATOM 0 H LEU A 57 7.215 1.801 2.286 1.00 0.00 H new ATOM 0 HA LEU A 57 4.599 3.077 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.324 3.964 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.762 4.492 4.217 1.00 0.00 H new ATOM 0 HG LEU A 57 7.210 1.909 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.672 2.448 7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.583 3.753 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.830 3.920 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.176 0.970 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.236 2.347 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.003 1.208 3.991 1.00 0.00 H new ATOM 790 N GLY A 58 4.674 4.880 1.121 1.00 0.00 N ATOM 791 CA GLY A 58 4.645 5.890 0.077 1.00 0.00 C ATOM 792 C GLY A 58 3.937 5.365 -1.174 1.00 0.00 C ATOM 793 O GLY A 58 3.517 6.145 -2.028 1.00 0.00 O ATOM 0 H GLY A 58 3.785 4.737 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.134 6.781 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.663 6.187 -0.175 1.00 0.00 H new ATOM 797 N ASP A 59 3.825 4.046 -1.242 1.00 0.00 N ATOM 798 CA ASP A 59 3.175 3.408 -2.374 1.00 0.00 C ATOM 799 C ASP A 59 1.888 4.164 -2.710 1.00 0.00 C ATOM 800 O ASP A 59 1.411 4.970 -1.913 1.00 0.00 O ATOM 801 CB ASP A 59 2.802 1.960 -2.050 1.00 0.00 C ATOM 802 CG ASP A 59 3.918 0.938 -2.279 1.00 0.00 C ATOM 803 OD1 ASP A 59 4.870 1.291 -3.009 1.00 0.00 O ATOM 804 OD2 ASP A 59 3.794 -0.173 -1.719 1.00 0.00 O ATOM 0 H ASP A 59 4.173 3.402 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 59 3.869 3.422 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.489 1.906 -1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.941 1.678 -2.657 1.00 0.00 H new ATOM 809 N ARG A 60 1.362 3.875 -3.891 1.00 0.00 N ATOM 810 CA ARG A 60 0.139 4.517 -4.343 1.00 0.00 C ATOM 811 C ARG A 60 -0.815 3.482 -4.941 1.00 0.00 C ATOM 812 O ARG A 60 -0.476 2.809 -5.913 1.00 0.00 O ATOM 813 CB ARG A 60 0.436 5.592 -5.390 1.00 0.00 C ATOM 814 CG ARG A 60 -0.835 6.358 -5.765 1.00 0.00 C ATOM 815 CD ARG A 60 -0.674 7.058 -7.116 1.00 0.00 C ATOM 816 NE ARG A 60 -1.539 8.258 -7.171 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.683 9.031 -8.255 1.00 0.00 C ATOM 818 NH1 ARG A 60 -1.020 8.736 -9.382 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.490 10.100 -8.213 1.00 0.00 N ATOM 0 H ARG A 60 1.760 3.205 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.327 4.988 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.182 6.286 -5.003 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.862 5.130 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.680 5.670 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.061 7.095 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.367 7.343 -7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.936 6.374 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.058 8.512 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.406 7.922 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.130 9.325 -10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.994 10.325 -7.355 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.600 10.689 -9.039 1.00 0.00 H new ATOM 833 N ILE A 61 -1.990 3.386 -4.335 1.00 0.00 N ATOM 834 CA ILE A 61 -2.995 2.444 -4.796 1.00 0.00 C ATOM 835 C ILE A 61 -3.666 2.996 -6.056 1.00 0.00 C ATOM 836 O ILE A 61 -4.113 4.141 -6.074 1.00 0.00 O ATOM 837 CB ILE A 61 -3.977 2.115 -3.670 1.00 0.00 C ATOM 838 CG1 ILE A 61 -3.239 1.866 -2.354 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.877 0.939 -4.054 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.151 0.804 -2.528 1.00 0.00 C ATOM 0 H ILE A 61 -2.268 3.945 -3.529 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.532 1.496 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.624 2.979 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.792 2.796 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.948 1.544 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.566 0.726 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.444 1.192 -4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.263 0.060 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.642 0.646 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.605 -0.131 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.431 1.140 -3.274 1.00 0.00 H new ATOM 852 N LEU A 62 -3.715 2.155 -7.078 1.00 0.00 N ATOM 853 CA LEU A 62 -4.323 2.544 -8.339 1.00 0.00 C ATOM 854 C LEU A 62 -5.666 1.827 -8.495 1.00 0.00 C ATOM 855 O LEU A 62 -6.622 2.399 -9.016 1.00 0.00 O ATOM 856 CB LEU A 62 -3.357 2.299 -9.499 1.00 0.00 C ATOM 857 CG LEU A 62 -1.992 2.982 -9.391 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.176 2.783 -10.670 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.146 4.461 -9.034 1.00 0.00 C ATOM 0 H LEU A 62 -3.343 1.205 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.529 3.614 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.197 1.225 -9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.835 2.631 -10.420 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.438 2.511 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.211 3.278 -10.566 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.021 1.718 -10.840 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.715 3.211 -11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.161 4.923 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.728 4.963 -9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.659 4.553 -8.077 1.00 0.00 H new ATOM 871 N GLU A 63 -5.694 0.585 -8.034 1.00 0.00 N ATOM 872 CA GLU A 63 -6.904 -0.216 -8.115 1.00 0.00 C ATOM 873 C GLU A 63 -7.139 -0.958 -6.798 1.00 0.00 C ATOM 874 O GLU A 63 -6.219 -1.114 -5.997 1.00 0.00 O ATOM 875 CB GLU A 63 -6.836 -1.193 -9.291 1.00 0.00 C ATOM 876 CG GLU A 63 -7.273 -0.517 -10.592 1.00 0.00 C ATOM 877 CD GLU A 63 -6.745 -1.278 -11.810 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.974 -2.506 -11.854 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.125 -0.615 -12.668 1.00 0.00 O ATOM 0 H GLU A 63 -4.898 0.114 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.748 0.452 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.819 -1.570 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.475 -2.053 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.361 -0.468 -10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.907 0.509 -10.613 1.00 0.00 H new ATOM 886 N VAL A 64 -8.376 -1.396 -6.616 1.00 0.00 N ATOM 887 CA VAL A 64 -8.744 -2.118 -5.410 1.00 0.00 C ATOM 888 C VAL A 64 -9.779 -3.190 -5.758 1.00 0.00 C ATOM 889 O VAL A 64 -10.901 -2.871 -6.146 1.00 0.00 O ATOM 890 CB VAL A 64 -9.234 -1.138 -4.342 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.381 -1.742 -3.529 1.00 0.00 C ATOM 892 CG2 VAL A 64 -8.086 -0.701 -3.430 1.00 0.00 C ATOM 0 H VAL A 64 -9.136 -1.265 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.877 -2.628 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.614 -0.251 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.711 -1.025 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.212 -1.979 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.038 -2.652 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.462 -0.005 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.662 -1.574 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.315 -0.212 -4.025 1.00 0.00 H new ATOM 902 N ASN A 65 -9.363 -4.439 -5.606 1.00 0.00 N ATOM 903 CA ASN A 65 -10.240 -5.560 -5.900 1.00 0.00 C ATOM 904 C ASN A 65 -10.728 -5.455 -7.346 1.00 0.00 C ATOM 905 O ASN A 65 -11.851 -5.850 -7.656 1.00 0.00 O ATOM 906 CB ASN A 65 -11.466 -5.554 -4.985 1.00 0.00 C ATOM 907 CG ASN A 65 -11.211 -6.376 -3.720 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.296 -7.180 -3.645 1.00 0.00 O ATOM 909 ND2 ASN A 65 -12.068 -6.130 -2.733 1.00 0.00 N ATOM 0 H ASN A 65 -8.431 -4.699 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.677 -6.480 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.716 -4.529 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.325 -5.960 -5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.982 -6.627 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.812 -5.444 -2.862 1.00 0.00 H new ATOM 916 N GLY A 66 -9.861 -4.921 -8.192 1.00 0.00 N ATOM 917 CA GLY A 66 -10.190 -4.759 -9.598 1.00 0.00 C ATOM 918 C GLY A 66 -11.177 -3.608 -9.802 1.00 0.00 C ATOM 919 O GLY A 66 -11.940 -3.603 -10.767 1.00 0.00 O ATOM 0 H GLY A 66 -8.930 -4.595 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.281 -4.568 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.620 -5.684 -9.983 1.00 0.00 H new ATOM 923 N SER A 67 -11.131 -2.661 -8.876 1.00 0.00 N ATOM 924 CA SER A 67 -12.012 -1.507 -8.941 1.00 0.00 C ATOM 925 C SER A 67 -11.187 -0.223 -9.035 1.00 0.00 C ATOM 926 O SER A 67 -10.614 0.225 -8.042 1.00 0.00 O ATOM 927 CB SER A 67 -12.941 -1.454 -7.727 1.00 0.00 C ATOM 928 OG SER A 67 -14.199 -0.863 -8.042 1.00 0.00 O ATOM 0 H SER A 67 -10.497 -2.669 -8.077 1.00 0.00 H new ATOM 0 HA SER A 67 -12.631 -1.599 -9.834 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.100 -2.464 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.463 -0.885 -6.929 1.00 0.00 H new ATOM 0 HG SER A 67 -14.764 -0.849 -7.241 1.00 0.00 H new ATOM 934 N SER A 68 -11.152 0.334 -10.236 1.00 0.00 N ATOM 935 CA SER A 68 -10.405 1.559 -10.472 1.00 0.00 C ATOM 936 C SER A 68 -10.548 2.498 -9.273 1.00 0.00 C ATOM 937 O SER A 68 -11.654 2.919 -8.937 1.00 0.00 O ATOM 938 CB SER A 68 -10.879 2.255 -11.750 1.00 0.00 C ATOM 939 OG SER A 68 -10.487 1.544 -12.921 1.00 0.00 O ATOM 0 H SER A 68 -11.629 -0.040 -11.057 1.00 0.00 H new ATOM 0 HA SER A 68 -9.354 1.300 -10.599 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.965 2.350 -11.730 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.471 3.265 -11.785 1.00 0.00 H new ATOM 0 HG SER A 68 -10.810 2.019 -13.715 1.00 0.00 H new ATOM 945 N LEU A 69 -9.413 2.798 -8.659 1.00 0.00 N ATOM 946 CA LEU A 69 -9.398 3.680 -7.504 1.00 0.00 C ATOM 947 C LEU A 69 -9.117 5.112 -7.964 1.00 0.00 C ATOM 948 O LEU A 69 -8.316 5.818 -7.354 1.00 0.00 O ATOM 949 CB LEU A 69 -8.412 3.168 -6.452 1.00 0.00 C ATOM 950 CG LEU A 69 -8.895 3.212 -5.001 1.00 0.00 C ATOM 951 CD1 LEU A 69 -7.760 2.870 -4.034 1.00 0.00 C ATOM 952 CD2 LEU A 69 -9.535 4.563 -4.678 1.00 0.00 C ATOM 0 H LEU A 69 -8.498 2.446 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.373 3.687 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.153 2.138 -6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.496 3.753 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.665 2.451 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.131 2.909 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.389 1.868 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.950 3.590 -4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.870 4.568 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.803 5.357 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.388 4.728 -5.336 1.00 0.00 H new ATOM 964 N LEU A 70 -9.793 5.497 -9.036 1.00 0.00 N ATOM 965 CA LEU A 70 -9.627 6.832 -9.585 1.00 0.00 C ATOM 966 C LEU A 70 -10.820 7.699 -9.178 1.00 0.00 C ATOM 967 O LEU A 70 -11.952 7.428 -9.574 1.00 0.00 O ATOM 968 CB LEU A 70 -9.403 6.766 -11.097 1.00 0.00 C ATOM 969 CG LEU A 70 -8.127 6.057 -11.556 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.112 5.884 -13.076 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.882 6.789 -11.051 1.00 0.00 C ATOM 0 H LEU A 70 -10.457 4.908 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.735 7.304 -9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.257 6.262 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.390 7.784 -11.487 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.115 5.059 -11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.194 5.378 -13.376 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.972 5.289 -13.383 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.159 6.862 -13.554 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.989 6.265 -11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.876 7.807 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.893 6.817 -9.961 1.00 0.00 H new ATOM 983 N GLY A 71 -10.525 8.724 -8.391 1.00 0.00 N ATOM 984 CA GLY A 71 -11.559 9.632 -7.925 1.00 0.00 C ATOM 985 C GLY A 71 -11.892 9.375 -6.454 1.00 0.00 C ATOM 986 O GLY A 71 -11.799 10.279 -5.626 1.00 0.00 O ATOM 0 H GLY A 71 -9.584 8.945 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -11.227 10.662 -8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.456 9.509 -8.532 1.00 0.00 H new ATOM 990 N LEU A 72 -12.275 8.138 -6.175 1.00 0.00 N ATOM 991 CA LEU A 72 -12.623 7.751 -4.818 1.00 0.00 C ATOM 992 C LEU A 72 -11.662 8.426 -3.837 1.00 0.00 C ATOM 993 O LEU A 72 -10.465 8.142 -3.841 1.00 0.00 O ATOM 994 CB LEU A 72 -12.663 6.226 -4.690 1.00 0.00 C ATOM 995 CG LEU A 72 -13.819 5.523 -5.403 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.786 6.539 -6.013 1.00 0.00 C ATOM 997 CD2 LEU A 72 -13.298 4.531 -6.445 1.00 0.00 C ATOM 0 H LEU A 72 -12.352 7.391 -6.865 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.627 8.095 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.726 5.824 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.707 5.971 -3.631 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.378 4.950 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.599 6.013 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -15.195 7.171 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.255 7.158 -6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.140 4.045 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.701 5.062 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.681 3.778 -5.954 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.223 9.307 -3.022 1.00 0.00 N ATOM 1010 CA GLY A 73 -11.430 10.024 -2.037 1.00 0.00 C ATOM 1011 C GLY A 73 -10.758 9.056 -1.062 1.00 0.00 C ATOM 1012 O GLY A 73 -10.326 7.974 -1.456 1.00 0.00 O ATOM 0 H GLY A 73 -13.216 9.541 -3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.671 10.622 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.067 10.716 -1.486 1.00 0.00 H new ATOM 1016 N TYR A 74 -10.692 9.480 0.191 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.080 8.663 1.226 1.00 0.00 C ATOM 1018 C TYR A 74 -11.132 7.828 1.959 1.00 0.00 C ATOM 1019 O TYR A 74 -10.799 6.842 2.615 1.00 0.00 O ATOM 1020 CB TYR A 74 -9.444 9.642 2.215 1.00 0.00 C ATOM 1021 CG TYR A 74 -8.931 8.986 3.498 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -7.673 8.421 3.529 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -9.728 8.958 4.625 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -7.190 7.803 4.737 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -9.245 8.340 5.833 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.000 7.793 5.829 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.545 7.210 6.970 1.00 0.00 O ATOM 0 H TYR A 74 -11.052 10.378 0.514 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.354 7.975 0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.615 10.152 1.724 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.177 10.405 2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.050 8.442 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.713 9.399 4.601 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.207 7.358 4.775 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.858 8.312 6.722 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.230 7.278 7.668 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.379 8.253 1.823 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.481 7.557 2.463 1.00 0.00 C ATOM 1039 C LEU A 75 -14.005 6.468 1.525 1.00 0.00 C ATOM 1040 O LEU A 75 -14.386 5.388 1.974 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.555 8.550 2.912 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.489 8.993 4.375 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.767 9.729 4.783 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.193 7.806 5.294 1.00 0.00 C ATOM 0 H LEU A 75 -12.651 9.072 1.278 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.140 7.060 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.489 9.436 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.533 8.103 2.732 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.664 9.697 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.694 10.033 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.894 10.612 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.624 9.067 4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.151 8.148 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.981 7.060 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.236 7.363 5.019 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.008 6.789 0.240 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.478 5.852 -0.765 1.00 0.00 C ATOM 1058 C ARG A 76 -13.465 4.721 -0.953 1.00 0.00 C ATOM 1059 O ARG A 76 -13.797 3.550 -0.779 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.706 6.551 -2.107 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.141 7.070 -2.218 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.115 5.929 -2.516 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.342 6.084 -1.702 1.00 0.00 N ATOM 1064 CZ ARG A 76 -19.255 5.120 -1.527 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.086 3.924 -2.108 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -20.337 5.350 -0.771 1.00 0.00 N ATOM 0 H ARG A 76 -13.692 7.686 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.426 5.441 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.006 7.380 -2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.503 5.856 -2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.426 7.563 -1.289 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -16.201 7.819 -3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.370 5.925 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.643 4.971 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.502 6.982 -1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.262 3.748 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.781 3.190 -1.975 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -20.466 6.260 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.032 4.615 -0.638 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.249 5.112 -1.306 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.185 4.146 -1.520 1.00 0.00 C ATOM 1082 C ALA A 77 -11.063 3.248 -0.287 1.00 0.00 C ATOM 1083 O ALA A 77 -11.037 2.024 -0.406 1.00 0.00 O ATOM 1084 CB ALA A 77 -9.882 4.883 -1.835 1.00 0.00 C ATOM 0 H ALA A 77 -11.977 6.085 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.412 3.507 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.084 4.158 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.012 5.484 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.620 5.532 -1.000 1.00 0.00 H new ATOM 1090 N VAL A 78 -10.991 3.891 0.869 1.00 0.00 N ATOM 1091 CA VAL A 78 -10.872 3.165 2.123 1.00 0.00 C ATOM 1092 C VAL A 78 -12.097 2.267 2.305 1.00 0.00 C ATOM 1093 O VAL A 78 -11.971 1.116 2.720 1.00 0.00 O ATOM 1094 CB VAL A 78 -10.673 4.148 3.279 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.987 4.842 3.640 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.071 3.445 4.497 1.00 0.00 C ATOM 0 H VAL A 78 -11.013 4.906 0.964 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.995 2.518 2.109 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.969 4.913 2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.818 5.535 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.358 5.391 2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.723 4.095 3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.939 4.165 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.740 2.650 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.104 3.019 4.230 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.254 2.828 1.987 1.00 0.00 N ATOM 1107 CA ASP A 79 -14.501 2.092 2.111 1.00 0.00 C ATOM 1108 C ASP A 79 -14.426 0.822 1.261 1.00 0.00 C ATOM 1109 O ASP A 79 -14.901 -0.235 1.674 1.00 0.00 O ATOM 1110 CB ASP A 79 -15.684 2.925 1.612 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.011 2.169 1.514 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.664 2.030 2.570 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -17.341 1.748 0.384 1.00 0.00 O ATOM 0 H ASP A 79 -13.355 3.783 1.644 1.00 0.00 H new ATOM 0 HA ASP A 79 -14.647 1.852 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.817 3.777 2.279 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.438 3.326 0.629 1.00 0.00 H new ATOM 1118 N LEU A 80 -13.825 0.968 0.089 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.681 -0.155 -0.822 1.00 0.00 C ATOM 1120 C LEU A 80 -12.894 -1.270 -0.131 1.00 0.00 C ATOM 1121 O LEU A 80 -13.379 -2.395 -0.012 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.063 0.305 -2.145 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.033 0.896 -3.169 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.312 1.238 -4.474 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.224 -0.037 -3.399 1.00 0.00 C ATOM 0 H LEU A 80 -13.432 1.846 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.658 -0.566 -1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.298 1.050 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.557 -0.546 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.428 1.829 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.025 1.656 -5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.527 1.967 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.870 0.334 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.898 0.407 -4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.867 -0.998 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.756 -0.186 -2.460 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.694 -0.920 0.307 1.00 0.00 N ATOM 1138 CA ILE A 81 -10.836 -1.878 0.984 1.00 0.00 C ATOM 1139 C ILE A 81 -11.488 -2.299 2.302 1.00 0.00 C ATOM 1140 O ILE A 81 -11.385 -3.455 2.708 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.425 -1.309 1.150 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.692 -1.261 -0.192 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -8.640 -2.091 2.205 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.617 0.171 -0.725 1.00 0.00 C ATOM 0 H ILE A 81 -11.295 0.013 0.206 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.723 -2.780 0.382 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.510 -0.283 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.685 -1.662 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.206 -1.895 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.641 -1.667 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.157 -2.029 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.562 -3.135 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.091 0.177 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.625 0.561 -0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.081 0.797 -0.012 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.146 -1.337 2.934 1.00 0.00 N ATOM 1157 CA ARG A 82 -12.815 -1.594 4.198 1.00 0.00 C ATOM 1158 C ARG A 82 -13.940 -2.612 4.005 1.00 0.00 C ATOM 1159 O ARG A 82 -14.015 -3.604 4.729 1.00 0.00 O ATOM 1160 CB ARG A 82 -13.397 -0.306 4.784 1.00 0.00 C ATOM 1161 CG ARG A 82 -14.667 -0.594 5.587 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.901 0.483 6.648 1.00 0.00 C ATOM 1163 NE ARG A 82 -15.113 -0.147 7.970 1.00 0.00 N ATOM 1164 CZ ARG A 82 -14.123 -0.503 8.800 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -12.847 -0.294 8.449 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -14.409 -1.069 9.981 1.00 0.00 N ATOM 0 H ARG A 82 -12.230 -0.379 2.594 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.074 -1.993 4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.657 0.172 5.426 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.622 0.395 3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.524 -0.640 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.585 -1.570 6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.045 1.156 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.768 1.087 6.380 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.073 -0.321 8.268 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.629 0.136 7.550 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -12.093 -0.565 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.380 -1.229 10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.655 -1.340 10.613 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.788 -2.332 3.026 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.906 -3.211 2.729 1.00 0.00 C ATOM 1182 C HIS A 83 -15.483 -4.244 1.683 1.00 0.00 C ATOM 1183 O HIS A 83 -16.282 -4.636 0.834 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.134 -2.404 2.303 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.814 -1.674 3.437 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.707 -1.830 4.787 1.00 0.00 N flip ATOM 1187 CD2 HIS A 83 -18.724 -0.652 3.231 1.00 0.00 C flip ATOM 1188 CE1 HIS A 83 -18.508 -0.950 5.376 1.00 0.00 C flip ATOM 1189 NE2 HIS A 83 -19.139 -0.219 4.413 1.00 0.00 N flip ATOM 0 H HIS A 83 -14.723 -1.508 2.428 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.195 -3.754 3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -16.835 -1.679 1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.853 -3.076 1.834 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.042 -0.272 2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.638 -0.833 6.442 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -19.812 0.530 4.574 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.227 -4.656 1.779 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.688 -5.636 0.852 1.00 0.00 C ATOM 1199 C GLY A 84 -14.462 -6.954 0.936 1.00 0.00 C ATOM 1200 O GLY A 84 -15.673 -6.954 1.150 1.00 0.00 O ATOM 0 H GLY A 84 -13.567 -4.329 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.737 -5.246 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.636 -5.813 1.075 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.730 -8.045 0.762 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.332 -9.366 0.816 1.00 0.00 C ATOM 1206 C GLY A 85 -13.259 -10.456 0.860 1.00 0.00 C ATOM 1207 O GLY A 85 -13.176 -11.287 -0.043 1.00 0.00 O ATOM 0 H GLY A 85 -12.726 -8.041 0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.970 -9.443 1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.971 -9.514 -0.055 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.465 -10.417 1.920 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.401 -11.392 2.094 1.00 0.00 C ATOM 1213 C LYS A 86 -10.298 -11.124 1.068 1.00 0.00 C ATOM 1214 O LYS A 86 -9.263 -10.549 1.400 1.00 0.00 O ATOM 1215 CB LYS A 86 -11.963 -12.814 2.037 1.00 0.00 C ATOM 1216 CG LYS A 86 -11.743 -13.543 3.364 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.595 -14.812 3.440 1.00 0.00 C ATOM 1218 CE LYS A 86 -12.064 -15.765 4.513 1.00 0.00 C ATOM 1219 NZ LYS A 86 -11.756 -17.088 3.924 1.00 0.00 N ATOM 0 H LYS A 86 -12.537 -9.726 2.667 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.950 -11.292 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.028 -12.779 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.482 -13.367 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.689 -13.801 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.995 -12.881 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.629 -14.548 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.595 -15.313 2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.167 -15.346 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.803 -15.877 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.397 -17.723 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.620 -17.493 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.035 -16.979 3.183 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.558 -11.555 -0.158 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.600 -11.369 -1.235 1.00 0.00 C ATOM 1235 C LYS A 87 -9.473 -9.877 -1.547 1.00 0.00 C ATOM 1236 O LYS A 87 -10.381 -9.280 -2.123 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.985 -12.220 -2.447 1.00 0.00 C ATOM 1238 CG LYS A 87 -9.597 -13.685 -2.234 1.00 0.00 C ATOM 1239 CD LYS A 87 -10.486 -14.614 -3.063 1.00 0.00 C ATOM 1240 CE LYS A 87 -11.278 -15.563 -2.161 1.00 0.00 C ATOM 1241 NZ LYS A 87 -12.732 -15.334 -2.318 1.00 0.00 N ATOM 0 H LYS A 87 -11.418 -12.032 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.613 -11.716 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.058 -12.146 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.490 -11.835 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.553 -13.832 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.685 -13.938 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.174 -14.022 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.871 -15.191 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.038 -16.597 -2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.990 -15.411 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.255 -15.986 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.959 -14.353 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.005 -15.502 -3.307 1.00 0.00 H new ATOM 1255 N MET A 88 -8.339 -9.317 -1.152 1.00 0.00 N ATOM 1256 CA MET A 88 -8.081 -7.905 -1.383 1.00 0.00 C ATOM 1257 C MET A 88 -6.917 -7.712 -2.356 1.00 0.00 C ATOM 1258 O MET A 88 -5.800 -8.155 -2.090 1.00 0.00 O ATOM 1259 CB MET A 88 -7.754 -7.222 -0.053 1.00 0.00 C ATOM 1260 CG MET A 88 -8.940 -7.302 0.910 1.00 0.00 C ATOM 1261 SD MET A 88 -10.403 -6.635 0.135 1.00 0.00 S ATOM 1262 CE MET A 88 -9.755 -5.084 -0.466 1.00 0.00 C ATOM 0 H MET A 88 -7.588 -9.815 -0.674 1.00 0.00 H new ATOM 0 HA MET A 88 -8.974 -7.459 -1.821 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.882 -7.695 0.398 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.494 -6.178 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.113 -8.338 1.201 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.717 -6.748 1.822 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.579 -4.439 -0.771 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.187 -4.596 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.103 -5.268 -1.320 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.217 -7.051 -3.464 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.209 -6.794 -4.479 1.00 0.00 C ATOM 1274 C ARG A 89 -5.992 -5.289 -4.641 1.00 0.00 C ATOM 1275 O ARG A 89 -6.938 -4.508 -4.550 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.619 -7.392 -5.826 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.586 -7.067 -6.907 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.063 -5.915 -7.793 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.610 -6.126 -9.186 1.00 0.00 N ATOM 1280 CZ ARG A 89 -6.000 -5.375 -10.225 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.852 -4.359 -10.034 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -5.537 -5.640 -11.454 1.00 0.00 N ATOM 0 H ARG A 89 -8.144 -6.685 -3.682 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.282 -7.265 -4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -6.724 -8.473 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.593 -7.002 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.637 -6.803 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.405 -7.950 -7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.150 -5.848 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.674 -4.970 -7.415 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.960 -6.891 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -7.204 -4.157 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.149 -3.787 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.888 -6.413 -11.599 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.834 -5.068 -12.245 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.740 -4.926 -4.880 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.386 -3.528 -5.056 1.00 0.00 C ATOM 1298 C PHE A 90 -3.314 -3.366 -6.135 1.00 0.00 C ATOM 1299 O PHE A 90 -2.372 -4.154 -6.203 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.826 -3.037 -3.719 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.658 -3.454 -2.505 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.977 -3.130 -2.441 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.078 -4.149 -1.490 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.749 -3.518 -1.313 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.850 -4.537 -0.363 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.169 -4.213 -0.298 1.00 0.00 C ATOM 0 H PHE A 90 -3.958 -5.577 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.262 -2.958 -5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.812 -3.418 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.757 -1.949 -3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.438 -2.578 -3.247 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.030 -4.406 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.797 -3.261 -1.262 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.389 -5.090 0.443 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.756 -4.507 0.559 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.492 -2.338 -6.952 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.552 -2.062 -8.025 1.00 0.00 C ATOM 1318 C LEU A 91 -1.572 -0.978 -7.571 1.00 0.00 C ATOM 1319 O LEU A 91 -1.822 0.210 -7.764 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.298 -1.716 -9.315 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.432 -1.551 -10.566 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.633 -2.823 -10.852 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.280 -1.124 -11.766 1.00 0.00 C ATOM 0 H LEU A 91 -4.274 -1.686 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.963 -2.950 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.034 -2.497 -9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.851 -0.790 -9.155 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.711 -0.754 -10.380 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.026 -2.678 -11.746 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.984 -3.043 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.319 -3.656 -11.010 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.641 -1.014 -12.642 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.039 -1.881 -11.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.765 -0.172 -11.549 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.476 -1.427 -6.977 1.00 0.00 N ATOM 1336 CA VAL A 92 0.543 -0.511 -6.495 1.00 0.00 C ATOM 1337 C VAL A 92 1.532 -0.214 -7.624 1.00 0.00 C ATOM 1338 O VAL A 92 1.753 -1.053 -8.497 1.00 0.00 O ATOM 1339 CB VAL A 92 1.216 -1.086 -5.247 1.00 0.00 C ATOM 1340 CG1 VAL A 92 2.161 -0.063 -4.613 1.00 0.00 C ATOM 1341 CG2 VAL A 92 0.174 -1.570 -4.236 1.00 0.00 C ATOM 0 H VAL A 92 -0.272 -2.414 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 92 0.094 0.437 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 92 1.811 -1.947 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.626 -0.497 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.934 0.212 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.597 0.825 -4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.679 -1.974 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.459 -0.734 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.441 -2.347 -4.691 1.00 0.00 H new ATOM 1351 N ALA A 93 2.100 0.981 -7.572 1.00 0.00 N ATOM 1352 CA ALA A 93 3.060 1.399 -8.579 1.00 0.00 C ATOM 1353 C ALA A 93 4.394 1.723 -7.904 1.00 0.00 C ATOM 1354 O ALA A 93 4.419 2.235 -6.785 1.00 0.00 O ATOM 1355 CB ALA A 93 2.497 2.589 -9.359 1.00 0.00 C ATOM 0 H ALA A 93 1.914 1.674 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 93 3.239 0.596 -9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.217 2.903 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.566 2.298 -9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.306 3.415 -8.674 1.00 0.00 H new ATOM 1361 N LYS A 94 5.470 1.412 -8.611 1.00 0.00 N ATOM 1362 CA LYS A 94 6.804 1.664 -8.093 1.00 0.00 C ATOM 1363 C LYS A 94 7.047 3.173 -8.033 1.00 0.00 C ATOM 1364 O LYS A 94 7.413 3.788 -9.033 1.00 0.00 O ATOM 1365 CB LYS A 94 7.849 0.906 -8.914 1.00 0.00 C ATOM 1366 CG LYS A 94 8.783 0.103 -8.006 1.00 0.00 C ATOM 1367 CD LYS A 94 9.704 1.029 -7.210 1.00 0.00 C ATOM 1368 CE LYS A 94 10.858 1.534 -8.080 1.00 0.00 C ATOM 1369 NZ LYS A 94 12.145 0.979 -7.606 1.00 0.00 N ATOM 0 H LYS A 94 5.445 0.988 -9.538 1.00 0.00 H new ATOM 0 HA LYS A 94 6.895 1.285 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.350 0.235 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.431 1.611 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.194 -0.507 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.381 -0.581 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.133 1.876 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.101 0.497 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.691 1.247 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.893 2.623 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.917 1.331 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.309 1.274 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.114 -0.059 -7.655 1.00 0.00 H new ATOM 1383 N SER A 95 6.832 3.728 -6.849 1.00 0.00 N ATOM 1384 CA SER A 95 7.022 5.154 -6.644 1.00 0.00 C ATOM 1385 C SER A 95 8.467 5.434 -6.227 1.00 0.00 C ATOM 1386 O SER A 95 9.243 4.507 -6.000 1.00 0.00 O ATOM 1387 CB SER A 95 6.052 5.694 -5.592 1.00 0.00 C ATOM 1388 OG SER A 95 5.095 6.587 -6.157 1.00 0.00 O ATOM 0 H SER A 95 6.528 3.215 -6.021 1.00 0.00 H new ATOM 0 HA SER A 95 6.816 5.665 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.534 4.862 -5.115 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.613 6.209 -4.812 1.00 0.00 H new ATOM 0 HG SER A 95 4.322 6.659 -5.559 1.00 0.00 H new ATOM 1394 N ASP A 96 8.786 6.717 -6.139 1.00 0.00 N ATOM 1395 CA ASP A 96 10.124 7.132 -5.753 1.00 0.00 C ATOM 1396 C ASP A 96 10.182 7.303 -4.234 1.00 0.00 C ATOM 1397 O ASP A 96 9.147 7.341 -3.570 1.00 0.00 O ATOM 1398 CB ASP A 96 10.492 8.471 -6.394 1.00 0.00 C ATOM 1399 CG ASP A 96 10.062 8.630 -7.853 1.00 0.00 C ATOM 1400 OD1 ASP A 96 8.835 8.703 -8.079 1.00 0.00 O ATOM 1401 OD2 ASP A 96 10.971 8.674 -8.711 1.00 0.00 O ATOM 0 H ASP A 96 8.140 7.483 -6.329 1.00 0.00 H new ATOM 0 HA ASP A 96 10.824 6.367 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.041 9.273 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.573 8.601 -6.333 1.00 0.00 H new ATOM 1406 N VAL A 97 11.402 7.400 -3.727 1.00 0.00 N ATOM 1407 CA VAL A 97 11.609 7.566 -2.299 1.00 0.00 C ATOM 1408 C VAL A 97 10.960 8.874 -1.842 1.00 0.00 C ATOM 1409 O VAL A 97 10.195 8.889 -0.880 1.00 0.00 O ATOM 1410 CB VAL A 97 13.102 7.494 -1.974 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.677 6.123 -2.335 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.871 8.613 -2.679 1.00 0.00 C ATOM 0 H VAL A 97 12.258 7.367 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 97 11.131 6.756 -1.748 1.00 0.00 H new ATOM 0 HB VAL A 97 13.217 7.633 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.740 6.099 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.159 5.350 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.543 5.942 -3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.930 8.539 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.743 8.519 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.488 9.580 -2.351 1.00 0.00 H new ATOM 1422 N GLU A 98 11.290 9.941 -2.555 1.00 0.00 N ATOM 1423 CA GLU A 98 10.749 11.251 -2.236 1.00 0.00 C ATOM 1424 C GLU A 98 9.267 11.139 -1.871 1.00 0.00 C ATOM 1425 O GLU A 98 8.864 11.522 -0.774 1.00 0.00 O ATOM 1426 CB GLU A 98 10.956 12.228 -3.395 1.00 0.00 C ATOM 1427 CG GLU A 98 12.412 12.691 -3.469 1.00 0.00 C ATOM 1428 CD GLU A 98 12.707 13.745 -2.400 1.00 0.00 C ATOM 1429 OE1 GLU A 98 11.969 14.754 -2.379 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.663 13.518 -1.628 1.00 0.00 O ATOM 0 H GLU A 98 11.925 9.925 -3.353 1.00 0.00 H new ATOM 0 HA GLU A 98 11.287 11.644 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.675 11.750 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.302 13.091 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.076 11.837 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.617 13.103 -4.457 1.00 0.00 H new ATOM 1437 N THR A 99 8.497 10.612 -2.811 1.00 0.00 N ATOM 1438 CA THR A 99 7.069 10.445 -2.602 1.00 0.00 C ATOM 1439 C THR A 99 6.792 9.956 -1.179 1.00 0.00 C ATOM 1440 O THR A 99 5.885 10.454 -0.514 1.00 0.00 O ATOM 1441 CB THR A 99 6.541 9.499 -3.683 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.325 10.345 -4.809 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.150 8.954 -3.355 1.00 0.00 C ATOM 0 H THR A 99 8.835 10.295 -3.720 1.00 0.00 H new ATOM 0 HA THR A 99 6.542 11.395 -2.694 1.00 0.00 H new ATOM 0 HB THR A 99 7.236 8.669 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.984 9.813 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.822 8.289 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.188 8.402 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.447 9.782 -3.262 1.00 0.00 H new ATOM 1451 N ALA A 100 7.590 8.988 -0.754 1.00 0.00 N ATOM 1452 CA ALA A 100 7.442 8.427 0.578 1.00 0.00 C ATOM 1453 C ALA A 100 7.963 9.429 1.610 1.00 0.00 C ATOM 1454 O ALA A 100 7.369 9.594 2.674 1.00 0.00 O ATOM 1455 CB ALA A 100 8.172 7.084 0.650 1.00 0.00 C ATOM 0 H ALA A 100 8.341 8.578 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 100 6.392 8.240 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.061 6.663 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.746 6.398 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.230 7.233 0.434 1.00 0.00 H new ATOM 1461 N LYS A 101 9.066 10.073 1.258 1.00 0.00 N ATOM 1462 CA LYS A 101 9.673 11.055 2.140 1.00 0.00 C ATOM 1463 C LYS A 101 8.594 12.014 2.648 1.00 0.00 C ATOM 1464 O LYS A 101 8.619 12.424 3.807 1.00 0.00 O ATOM 1465 CB LYS A 101 10.839 11.756 1.440 1.00 0.00 C ATOM 1466 CG LYS A 101 11.961 10.766 1.120 1.00 0.00 C ATOM 1467 CD LYS A 101 13.332 11.437 1.230 1.00 0.00 C ATOM 1468 CE LYS A 101 14.458 10.415 1.059 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.716 10.927 1.648 1.00 0.00 N ATOM 0 H LYS A 101 9.555 9.934 0.374 1.00 0.00 H new ATOM 0 HA LYS A 101 10.104 10.567 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.488 12.223 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.223 12.554 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.910 9.920 1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.826 10.370 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.423 12.214 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.425 11.927 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.181 9.476 1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.606 10.201 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.470 10.222 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.987 11.811 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.576 11.108 2.662 1.00 0.00 H new ATOM 1483 N LYS A 102 7.673 12.344 1.755 1.00 0.00 N ATOM 1484 CA LYS A 102 6.588 13.247 2.097 1.00 0.00 C ATOM 1485 C LYS A 102 5.580 12.513 2.984 1.00 0.00 C ATOM 1486 O LYS A 102 4.964 13.116 3.861 1.00 0.00 O ATOM 1487 CB LYS A 102 5.971 13.848 0.833 1.00 0.00 C ATOM 1488 CG LYS A 102 6.988 14.711 0.084 1.00 0.00 C ATOM 1489 CD LYS A 102 6.626 14.823 -1.399 1.00 0.00 C ATOM 1490 CE LYS A 102 7.871 14.694 -2.278 1.00 0.00 C ATOM 1491 NZ LYS A 102 7.511 14.162 -3.611 1.00 0.00 N ATOM 0 H LYS A 102 7.656 12.002 0.794 1.00 0.00 H new ATOM 0 HA LYS A 102 6.964 14.093 2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.617 13.049 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.103 14.451 1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.024 15.705 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.983 14.279 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.909 14.045 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.141 15.781 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.350 15.667 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.594 14.034 -1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.203 14.491 -4.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.514 13.122 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.563 14.498 -3.875 1.00 0.00 H new ATOM 1505 N ILE A 103 5.444 11.220 2.726 1.00 0.00 N ATOM 1506 CA ILE A 103 4.521 10.398 3.489 1.00 0.00 C ATOM 1507 C ILE A 103 5.104 10.143 4.881 1.00 0.00 C ATOM 1508 O ILE A 103 4.363 10.002 5.852 1.00 0.00 O ATOM 1509 CB ILE A 103 4.182 9.119 2.721 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.556 9.444 1.363 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.291 8.197 3.556 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.030 9.353 1.426 1.00 0.00 C ATOM 0 H ILE A 103 5.958 10.722 1.999 1.00 0.00 H new ATOM 0 HA ILE A 103 3.574 10.919 3.629 1.00 0.00 H new ATOM 0 HB ILE A 103 5.110 8.581 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.851 10.446 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.934 8.753 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.065 7.296 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.809 7.925 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.363 8.713 3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.611 9.589 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.737 8.343 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.653 10.063 2.163 1.00 0.00 H new ATOM 1524 N HIS A 104 6.427 10.090 4.933 1.00 0.00 N ATOM 1525 CA HIS A 104 7.118 9.855 6.189 1.00 0.00 C ATOM 1526 C HIS A 104 8.416 10.665 6.221 1.00 0.00 C ATOM 1527 O HIS A 104 9.393 10.304 5.567 1.00 0.00 O ATOM 1528 CB HIS A 104 7.347 8.359 6.411 1.00 0.00 C ATOM 1529 CG HIS A 104 8.145 7.691 5.316 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.462 7.297 5.482 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.799 7.351 4.041 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.879 6.747 4.351 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.848 6.782 3.459 1.00 0.00 N ATOM 0 H HIS A 104 7.039 10.206 4.125 1.00 0.00 H new ATOM 0 HA HIS A 104 6.498 10.196 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 104 7.863 8.218 7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 104 6.380 7.863 6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.017 7.411 6.330 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.835 7.517 3.583 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.863 6.342 4.168 1.00 0.00 H new ATOM 1541 N SER A 105 8.383 11.745 6.988 1.00 0.00 N ATOM 1542 CA SER A 105 9.544 12.609 7.113 1.00 0.00 C ATOM 1543 C SER A 105 9.942 12.740 8.585 1.00 0.00 C ATOM 1544 O SER A 105 9.210 12.302 9.471 1.00 0.00 O ATOM 1545 CB SER A 105 9.272 13.989 6.512 1.00 0.00 C ATOM 1546 OG SER A 105 8.150 14.624 7.119 1.00 0.00 O ATOM 0 H SER A 105 7.571 12.041 7.529 1.00 0.00 H new ATOM 0 HA SER A 105 10.367 12.158 6.559 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.154 14.618 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.097 13.890 5.441 1.00 0.00 H new ATOM 0 HG SER A 105 8.010 15.503 6.709 1.00 0.00 H new ATOM 1552 N GLY A 106 11.101 13.346 8.800 1.00 0.00 N ATOM 1553 CA GLY A 106 11.605 13.541 10.148 1.00 0.00 C ATOM 1554 C GLY A 106 11.292 12.330 11.030 1.00 0.00 C ATOM 1555 O GLY A 106 10.311 12.335 11.773 1.00 0.00 O ATOM 0 H GLY A 106 11.705 13.708 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.682 13.705 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 106 11.159 14.436 10.581 1.00 0.00 H new ATOM 1559 N PRO A 107 12.167 11.295 10.917 1.00 0.00 N ATOM 1560 CA PRO A 107 11.994 10.080 11.695 1.00 0.00 C ATOM 1561 C PRO A 107 12.394 10.303 13.155 1.00 0.00 C ATOM 1562 O PRO A 107 13.500 10.761 13.437 1.00 0.00 O ATOM 1563 CB PRO A 107 12.853 9.039 10.996 1.00 0.00 C ATOM 1564 CG PRO A 107 13.833 9.819 10.134 1.00 0.00 C ATOM 1565 CD PRO A 107 13.339 11.254 10.048 1.00 0.00 C ATOM 0 HA PRO A 107 10.955 9.754 11.740 1.00 0.00 H new ATOM 0 HB2 PRO A 107 13.379 8.417 11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 107 12.242 8.373 10.387 1.00 0.00 H new ATOM 0 HG2 PRO A 107 14.833 9.785 10.567 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.901 9.378 9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.103 11.956 10.380 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.082 11.524 9.024 1.00 0.00 H new ATOM 1573 N SER A 108 11.471 9.968 14.045 1.00 0.00 N ATOM 1574 CA SER A 108 11.713 10.126 15.469 1.00 0.00 C ATOM 1575 C SER A 108 11.901 8.756 16.123 1.00 0.00 C ATOM 1576 O SER A 108 11.604 7.728 15.516 1.00 0.00 O ATOM 1577 CB SER A 108 10.567 10.883 16.143 1.00 0.00 C ATOM 1578 OG SER A 108 11.036 11.787 17.139 1.00 0.00 O ATOM 0 H SER A 108 10.555 9.588 13.807 1.00 0.00 H new ATOM 0 HA SER A 108 12.624 10.711 15.598 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.004 11.434 15.390 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.879 10.170 16.596 1.00 0.00 H new ATOM 0 HG SER A 108 10.274 12.252 17.544 1.00 0.00 H new ATOM 1584 N SER A 109 12.392 8.785 17.353 1.00 0.00 N ATOM 1585 CA SER A 109 12.623 7.557 18.096 1.00 0.00 C ATOM 1586 C SER A 109 11.595 7.426 19.222 1.00 0.00 C ATOM 1587 O SER A 109 11.659 8.152 20.213 1.00 0.00 O ATOM 1588 CB SER A 109 14.042 7.516 18.665 1.00 0.00 C ATOM 1589 OG SER A 109 14.251 8.524 19.651 1.00 0.00 O ATOM 0 H SER A 109 12.636 9.639 17.854 1.00 0.00 H new ATOM 0 HA SER A 109 12.511 6.716 17.411 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.229 6.536 19.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.761 7.645 17.856 1.00 0.00 H new ATOM 0 HG SER A 109 13.406 8.713 20.110 1.00 0.00 H new ATOM 1595 N GLY A 110 10.671 6.496 19.032 1.00 0.00 N ATOM 1596 CA GLY A 110 9.632 6.260 20.019 1.00 0.00 C ATOM 1597 C GLY A 110 9.191 4.795 20.013 1.00 0.00 C ATOM 1598 O GLY A 110 7.997 4.502 19.986 1.00 0.00 O ATOM 0 H GLY A 110 10.620 5.897 18.208 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.999 6.529 21.010 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.776 6.902 19.811 1.00 0.00 H new TER 1602 GLY A 110