USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1145 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 71 TYR OH : rot -51:sc= 1.46 USER MOD Set 1.2: A 83 CYS SG : rot 140:sc= -0.0434 USER MOD Set 2.1: A 29 THR OG1 : rot 54:sc= 1.87 USER MOD Set 2.2: A 75 THR OG1 : rot 140:sc= 1.16 USER MOD Set 3.1: A 8 SER OG : rot -147:sc= 0.321 USER MOD Set 3.2: A 51 TYR OH : rot -163:sc= 0.268 USER MOD Single : A 1 VAL N :NH3+ -179:sc= 0.903 (180deg=0.896) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 2.04 (180deg=1.83) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -1.79! USER MOD Single : A 17 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.022) USER MOD Single : A 18 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.3!) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.993) USER MOD Single : A 33 ASN : amide:sc=-0.00721 K(o=-0.0072,f=-0.95) USER MOD Single : A 34 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0029) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0505) USER MOD Single : A 39 HIS : no HD1:sc=-0.00546 X(o=-0.0055,f=-0.07) USER MOD Single : A 40 MET CE :methyl -170:sc= -0.218 (180deg=-0.44) USER MOD Single : A 43 MET CE :methyl 153:sc= 0 (180deg=-0.628) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= 0.922 K(o=0.92,f=-4.9!) USER MOD Single : A 54 SER OG : rot -32:sc= -1.48! USER MOD Single : A 55 ASN : amide:sc= 0.477 K(o=0.48,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0.552 (180deg=0.158) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0.472 (180deg=-0.5) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.117) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 102 LYS NZ :NH3+ -142:sc= -0.979 (180deg=-3.11!) USER MOD Single : A 110 MET CE :methyl -131:sc= 0 (180deg=-0.536) USER MOD Single : A 113 MET CE :methyl -168:sc= -1.25 (180deg=-1.6) USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= -0.0155 (180deg=-0.239) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 119 SER OG : rot -75:sc= 0.438 USER MOD Single : A 121 GLN : amide:sc= -6.58! C(o=-6.6!,f=-7.9!) USER MOD Single : A 124 THR OG1 : rot -160:sc= -1.71! USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 1.81 (180deg=1.71) USER MOD Single : A 132 CYS SG : rot 74:sc= 0.921 USER MOD Single : A 133 LYS NZ :NH3+ -160:sc= 1.33 (180deg=0.555) USER MOD Single : A 134 MET CE :methyl -105:sc= -0.246 (180deg=-2.47!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 141 HIS : no HE2:sc= 0.46 K(o=0.46,f=-1.6!) USER MOD Single : A 142 HIS : no HD1:sc= 1.04 K(o=1,f=-5.7!) USER MOD Single : A 143 HIS : no HE2:sc= 0.517 K(o=0.52,f=-3.8!) USER MOD Single : A 144 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.016) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 118.486 4.064 -13.090 1.00 0.00 N ATOM 2 CA VAL A 1 119.124 4.618 -11.878 1.00 0.00 C ATOM 3 C VAL A 1 118.205 5.626 -11.207 1.00 0.00 C ATOM 4 O VAL A 1 118.175 6.809 -11.558 1.00 0.00 O ATOM 5 CB VAL A 1 120.490 5.280 -12.178 1.00 0.00 C ATOM 6 CG1 VAL A 1 121.052 5.947 -10.929 1.00 0.00 C ATOM 7 CG2 VAL A 1 121.476 4.253 -12.704 1.00 0.00 C ATOM 0 H1 VAL A 1 119.120 3.365 -13.527 1.00 0.00 H new ATOM 0 H2 VAL A 1 117.589 3.605 -12.831 1.00 0.00 H new ATOM 0 H3 VAL A 1 118.299 4.832 -13.766 1.00 0.00 H new ATOM 0 HA VAL A 1 119.304 3.779 -11.206 1.00 0.00 H new ATOM 0 HB VAL A 1 120.335 6.043 -12.941 1.00 0.00 H new ATOM 0 HG11 VAL A 1 122.013 6.406 -11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 1 120.358 6.713 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 1 121.188 5.200 -10.147 1.00 0.00 H new ATOM 0 HG21 VAL A 1 122.431 4.737 -12.909 1.00 0.00 H new ATOM 0 HG22 VAL A 1 121.619 3.471 -11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 1 121.088 3.813 -13.622 1.00 0.00 H new ATOM 19 N ALA A 2 117.415 5.130 -10.280 1.00 0.00 N ATOM 20 CA ALA A 2 116.597 5.964 -9.430 1.00 0.00 C ATOM 21 C ALA A 2 116.690 5.443 -8.011 1.00 0.00 C ATOM 22 O ALA A 2 116.988 4.264 -7.799 1.00 0.00 O ATOM 23 CB ALA A 2 115.154 5.978 -9.911 1.00 0.00 C ATOM 0 H ALA A 2 117.322 4.131 -10.095 1.00 0.00 H new ATOM 0 HA ALA A 2 116.959 6.992 -9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.558 6.613 -9.255 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.113 6.368 -10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.755 4.964 -9.895 1.00 0.00 H new ATOM 29 N TYR A 3 116.466 6.309 -7.046 1.00 0.00 N ATOM 30 CA TYR A 3 116.579 5.922 -5.654 1.00 0.00 C ATOM 31 C TYR A 3 115.203 5.837 -5.018 1.00 0.00 C ATOM 32 O TYR A 3 114.420 6.786 -5.076 1.00 0.00 O ATOM 33 CB TYR A 3 117.473 6.905 -4.901 1.00 0.00 C ATOM 34 CG TYR A 3 118.876 6.987 -5.463 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.582 5.835 -5.798 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.493 8.213 -5.662 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.862 5.906 -6.315 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.773 8.292 -6.176 1.00 0.00 C ATOM 39 CZ TYR A 3 121.453 7.137 -6.501 1.00 0.00 C ATOM 40 OH TYR A 3 122.732 7.213 -7.008 1.00 0.00 O ATOM 0 H TYR A 3 116.205 7.283 -7.198 1.00 0.00 H new ATOM 0 HA TYR A 3 117.039 4.936 -5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.018 7.895 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.525 6.609 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.122 4.869 -5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.964 9.121 -5.411 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.395 5.003 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.239 9.255 -6.323 1.00 0.00 H new ATOM 0 HH TYR A 3 123.001 8.153 -7.078 1.00 0.00 H new ATOM 50 N TRP A 4 114.907 4.689 -4.435 1.00 0.00 N ATOM 51 CA TRP A 4 113.596 4.439 -3.860 1.00 0.00 C ATOM 52 C TRP A 4 113.718 4.057 -2.389 1.00 0.00 C ATOM 53 O TRP A 4 114.804 4.084 -1.810 1.00 0.00 O ATOM 54 CB TRP A 4 112.891 3.307 -4.619 1.00 0.00 C ATOM 55 CG TRP A 4 112.870 3.478 -6.110 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.704 2.882 -7.014 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.967 4.288 -6.873 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.375 3.271 -8.289 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.313 4.136 -8.230 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.899 5.129 -6.540 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.630 4.792 -9.251 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.222 5.778 -7.556 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.589 5.606 -8.896 1.00 0.00 C ATOM 0 H TRP A 4 115.560 3.911 -4.347 1.00 0.00 H new ATOM 0 HA TRP A 4 113.010 5.354 -3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.384 2.364 -4.381 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.865 3.230 -4.260 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.506 2.203 -6.762 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.844 2.966 -9.142 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.609 5.268 -5.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.912 4.663 -10.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.396 6.429 -7.312 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.039 6.127 -9.666 1.00 0.00 H new ATOM 74 N LEU A 5 112.595 3.698 -1.797 1.00 0.00 N ATOM 75 CA LEU A 5 112.559 3.189 -0.439 1.00 0.00 C ATOM 76 C LEU A 5 111.431 2.170 -0.340 1.00 0.00 C ATOM 77 O LEU A 5 110.351 2.392 -0.886 1.00 0.00 O ATOM 78 CB LEU A 5 112.354 4.345 0.554 1.00 0.00 C ATOM 79 CG LEU A 5 112.650 4.033 2.029 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.906 5.318 2.796 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.500 3.272 2.672 1.00 0.00 C ATOM 0 H LEU A 5 111.680 3.751 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 5 113.504 2.706 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.987 5.177 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.321 4.684 0.476 1.00 0.00 H new ATOM 0 HG LEU A 5 113.541 3.406 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.114 5.083 3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.762 5.836 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.026 5.958 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.739 3.066 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.592 3.872 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.345 2.332 2.143 1.00 0.00 H new ATOM 93 N VAL A 6 111.694 1.048 0.318 1.00 0.00 N ATOM 94 CA VAL A 6 110.694 0.002 0.482 1.00 0.00 C ATOM 95 C VAL A 6 110.434 -0.271 1.960 1.00 0.00 C ATOM 96 O VAL A 6 111.367 -0.377 2.763 1.00 0.00 O ATOM 97 CB VAL A 6 111.097 -1.311 -0.230 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.079 -1.129 -1.740 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.467 -1.788 0.229 1.00 0.00 C ATOM 0 H VAL A 6 112.595 0.839 0.748 1.00 0.00 H new ATOM 0 HA VAL A 6 109.779 0.367 0.015 1.00 0.00 H new ATOM 0 HB VAL A 6 110.366 -2.073 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.365 -2.063 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.076 -0.847 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.783 -0.345 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.723 -2.712 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.213 -1.026 0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.448 -1.967 1.304 1.00 0.00 H new ATOM 109 N LYS A 7 109.164 -0.356 2.313 1.00 0.00 N ATOM 110 CA LYS A 7 108.762 -0.619 3.684 1.00 0.00 C ATOM 111 C LYS A 7 108.372 -2.078 3.852 1.00 0.00 C ATOM 112 O LYS A 7 107.447 -2.562 3.195 1.00 0.00 O ATOM 113 CB LYS A 7 107.596 0.286 4.074 1.00 0.00 C ATOM 114 CG LYS A 7 107.980 1.749 4.209 1.00 0.00 C ATOM 115 CD LYS A 7 106.760 2.627 4.428 1.00 0.00 C ATOM 116 CE LYS A 7 107.152 4.070 4.689 1.00 0.00 C ATOM 117 NZ LYS A 7 105.991 4.986 4.568 1.00 0.00 N ATOM 0 H LYS A 7 108.386 -0.246 1.662 1.00 0.00 H new ATOM 0 HA LYS A 7 109.606 -0.407 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.809 0.193 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.179 -0.060 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.671 1.869 5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.506 2.073 3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.113 2.577 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.184 2.247 5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.580 4.156 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.927 4.370 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.256 5.930 4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.704 5.052 3.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.199 4.619 5.133 1.00 0.00 H new ATOM 131 N SER A 8 109.083 -2.771 4.727 1.00 0.00 N ATOM 132 CA SER A 8 108.844 -4.183 4.959 1.00 0.00 C ATOM 133 C SER A 8 108.727 -4.468 6.454 1.00 0.00 C ATOM 134 O SER A 8 109.332 -3.777 7.280 1.00 0.00 O ATOM 135 CB SER A 8 109.980 -5.010 4.345 1.00 0.00 C ATOM 136 OG SER A 8 109.770 -6.401 4.529 1.00 0.00 O ATOM 0 H SER A 8 109.835 -2.374 5.291 1.00 0.00 H new ATOM 0 HA SER A 8 107.904 -4.463 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.056 -4.790 3.280 1.00 0.00 H new ATOM 0 HB3 SER A 8 110.928 -4.721 4.799 1.00 0.00 H new ATOM 0 HG SER A 8 110.634 -6.850 4.640 1.00 0.00 H new ATOM 142 N GLU A 9 107.941 -5.478 6.796 1.00 0.00 N ATOM 143 CA GLU A 9 107.774 -5.887 8.182 1.00 0.00 C ATOM 144 C GLU A 9 108.671 -7.079 8.492 1.00 0.00 C ATOM 145 O GLU A 9 108.541 -8.140 7.875 1.00 0.00 O ATOM 146 CB GLU A 9 106.313 -6.238 8.467 1.00 0.00 C ATOM 147 CG GLU A 9 105.369 -5.052 8.347 1.00 0.00 C ATOM 148 CD GLU A 9 103.948 -5.397 8.733 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.688 -5.594 9.940 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.081 -5.474 7.834 1.00 0.00 O ATOM 0 H GLU A 9 107.406 -6.032 6.128 1.00 0.00 H new ATOM 0 HA GLU A 9 108.061 -5.054 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 9 105.994 -7.018 7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.237 -6.653 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 9 105.727 -4.242 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.383 -4.683 7.321 1.00 0.00 H new ATOM 157 N PRO A 10 109.578 -6.924 9.471 1.00 0.00 N ATOM 158 CA PRO A 10 110.583 -7.943 9.801 1.00 0.00 C ATOM 159 C PRO A 10 109.961 -9.211 10.375 1.00 0.00 C ATOM 160 O PRO A 10 110.579 -10.275 10.369 1.00 0.00 O ATOM 161 CB PRO A 10 111.464 -7.254 10.847 1.00 0.00 C ATOM 162 CG PRO A 10 110.598 -6.202 11.444 1.00 0.00 C ATOM 163 CD PRO A 10 109.681 -5.742 10.346 1.00 0.00 C ATOM 0 HA PRO A 10 111.130 -8.273 8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.805 -7.961 11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.354 -6.821 10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.030 -6.597 12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.197 -5.374 11.824 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.707 -5.443 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.090 -4.883 9.814 1.00 0.00 H new ATOM 171 N SER A 11 108.732 -9.086 10.859 1.00 0.00 N ATOM 172 CA SER A 11 107.994 -10.217 11.396 1.00 0.00 C ATOM 173 C SER A 11 107.695 -11.230 10.292 1.00 0.00 C ATOM 174 O SER A 11 107.473 -12.414 10.557 1.00 0.00 O ATOM 175 CB SER A 11 106.694 -9.725 12.032 1.00 0.00 C ATOM 176 OG SER A 11 106.944 -8.625 12.892 1.00 0.00 O ATOM 0 H SER A 11 108.223 -8.203 10.890 1.00 0.00 H new ATOM 0 HA SER A 11 108.600 -10.709 12.157 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.990 -9.432 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.229 -10.535 12.594 1.00 0.00 H new ATOM 0 HG SER A 11 106.101 -8.322 13.289 1.00 0.00 H new ATOM 182 N VAL A 12 107.700 -10.754 9.054 1.00 0.00 N ATOM 183 CA VAL A 12 107.468 -11.607 7.901 1.00 0.00 C ATOM 184 C VAL A 12 108.781 -11.859 7.169 1.00 0.00 C ATOM 185 O VAL A 12 109.249 -12.994 7.072 1.00 0.00 O ATOM 186 CB VAL A 12 106.453 -10.972 6.926 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.180 -11.891 5.746 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.160 -10.634 7.646 1.00 0.00 C ATOM 0 H VAL A 12 107.864 -9.774 8.824 1.00 0.00 H new ATOM 0 HA VAL A 12 107.056 -12.550 8.261 1.00 0.00 H new ATOM 0 HB VAL A 12 106.888 -10.049 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.462 -11.419 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.109 -12.079 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.773 -12.835 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.458 -10.188 6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.727 -11.543 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.365 -9.928 8.451 1.00 0.00 H new ATOM 198 N TRP A 13 109.384 -10.783 6.687 1.00 0.00 N ATOM 199 CA TRP A 13 110.628 -10.867 5.940 1.00 0.00 C ATOM 200 C TRP A 13 111.666 -9.946 6.570 1.00 0.00 C ATOM 201 O TRP A 13 111.413 -8.756 6.766 1.00 0.00 O ATOM 202 CB TRP A 13 110.380 -10.480 4.478 1.00 0.00 C ATOM 203 CG TRP A 13 111.527 -10.782 3.560 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.419 -9.889 3.041 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.896 -12.066 3.045 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.322 -10.540 2.236 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.022 -11.876 2.221 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.384 -13.357 3.200 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.643 -12.930 1.556 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.003 -14.402 2.539 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.120 -14.183 1.727 1.00 0.00 C ATOM 0 H TRP A 13 109.028 -9.834 6.802 1.00 0.00 H new ATOM 0 HA TRP A 13 111.004 -11.890 5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.494 -11.005 4.120 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.160 -9.414 4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.416 -8.827 3.235 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.091 -10.100 1.731 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.521 -13.535 3.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.506 -12.765 0.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.617 -15.404 2.652 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.580 -15.021 1.224 1.00 0.00 H new ATOM 222 N SER A 14 112.818 -10.497 6.907 1.00 0.00 N ATOM 223 CA SER A 14 113.866 -9.733 7.559 1.00 0.00 C ATOM 224 C SER A 14 115.032 -9.492 6.608 1.00 0.00 C ATOM 225 O SER A 14 115.051 -10.011 5.488 1.00 0.00 O ATOM 226 CB SER A 14 114.337 -10.471 8.813 1.00 0.00 C ATOM 227 OG SER A 14 114.753 -11.789 8.498 1.00 0.00 O ATOM 0 H SER A 14 113.052 -11.475 6.739 1.00 0.00 H new ATOM 0 HA SER A 14 113.465 -8.762 7.848 1.00 0.00 H new ATOM 0 HB2 SER A 14 115.161 -9.925 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.530 -10.505 9.545 1.00 0.00 H new ATOM 0 HG SER A 14 115.052 -12.242 9.314 1.00 0.00 H new ATOM 233 N TRP A 15 116.009 -8.713 7.057 1.00 0.00 N ATOM 234 CA TRP A 15 117.190 -8.428 6.256 1.00 0.00 C ATOM 235 C TRP A 15 118.061 -9.676 6.165 1.00 0.00 C ATOM 236 O TRP A 15 118.716 -9.917 5.151 1.00 0.00 O ATOM 237 CB TRP A 15 117.969 -7.257 6.869 1.00 0.00 C ATOM 238 CG TRP A 15 119.180 -6.840 6.088 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.483 -6.956 6.479 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.205 -6.233 4.789 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.313 -6.459 5.504 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.556 -6.009 4.459 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.218 -5.855 3.871 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.944 -5.429 3.253 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.606 -5.278 2.675 1.00 0.00 C ATOM 246 CH2 TRP A 15 119.957 -5.068 2.377 1.00 0.00 C ATOM 0 H TRP A 15 116.005 -8.267 7.974 1.00 0.00 H new ATOM 0 HA TRP A 15 116.887 -8.144 5.248 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.300 -6.401 6.963 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.279 -7.531 7.877 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.813 -7.377 7.417 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.331 -6.430 5.552 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.173 -6.011 4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 121.986 -5.270 3.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 117.853 -4.984 1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.226 -4.611 1.436 1.00 0.00 H new ATOM 257 N ASP A 16 118.027 -10.482 7.227 1.00 0.00 N ATOM 258 CA ASP A 16 118.777 -11.737 7.285 1.00 0.00 C ATOM 259 C ASP A 16 118.409 -12.626 6.106 1.00 0.00 C ATOM 260 O ASP A 16 119.271 -13.251 5.482 1.00 0.00 O ATOM 261 CB ASP A 16 118.470 -12.497 8.582 1.00 0.00 C ATOM 262 CG ASP A 16 118.659 -11.661 9.832 1.00 0.00 C ATOM 263 OD1 ASP A 16 119.807 -11.532 10.306 1.00 0.00 O ATOM 264 OD2 ASP A 16 117.650 -11.144 10.359 1.00 0.00 O ATOM 0 H ASP A 16 117.482 -10.285 8.066 1.00 0.00 H new ATOM 0 HA ASP A 16 119.838 -11.490 7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 16 117.442 -12.858 8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 16 119.114 -13.375 8.641 1.00 0.00 H new ATOM 269 N GLN A 17 117.117 -12.665 5.805 1.00 0.00 N ATOM 270 CA GLN A 17 116.590 -13.489 4.727 1.00 0.00 C ATOM 271 C GLN A 17 117.172 -13.055 3.383 1.00 0.00 C ATOM 272 O GLN A 17 117.502 -13.886 2.541 1.00 0.00 O ATOM 273 CB GLN A 17 115.062 -13.386 4.692 1.00 0.00 C ATOM 274 CG GLN A 17 114.394 -13.667 6.030 1.00 0.00 C ATOM 275 CD GLN A 17 114.514 -15.114 6.465 1.00 0.00 C ATOM 276 OE1 GLN A 17 114.621 -15.413 7.656 1.00 0.00 O ATOM 277 NE2 GLN A 17 114.460 -16.025 5.510 1.00 0.00 N ATOM 0 H GLN A 17 116.407 -12.127 6.301 1.00 0.00 H new ATOM 0 HA GLN A 17 116.877 -14.524 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 17 114.783 -12.386 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.677 -14.087 3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 17 114.839 -13.027 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 17 113.339 -13.400 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 17 114.371 -15.738 4.535 1.00 0.00 H new ATOM 0 HE22 GLN A 17 114.507 -17.016 5.747 1.00 0.00 H new ATOM 286 N GLN A 18 117.316 -11.748 3.200 1.00 0.00 N ATOM 287 CA GLN A 18 117.821 -11.203 1.947 1.00 0.00 C ATOM 288 C GLN A 18 119.332 -11.336 1.846 1.00 0.00 C ATOM 289 O GLN A 18 119.872 -11.422 0.751 1.00 0.00 O ATOM 290 CB GLN A 18 117.417 -9.737 1.788 1.00 0.00 C ATOM 291 CG GLN A 18 116.228 -9.530 0.866 1.00 0.00 C ATOM 292 CD GLN A 18 116.538 -9.900 -0.569 1.00 0.00 C ATOM 293 OE1 GLN A 18 116.987 -9.068 -1.346 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.297 -11.150 -0.934 1.00 0.00 N ATOM 0 H GLN A 18 117.090 -11.046 3.904 1.00 0.00 H new ATOM 0 HA GLN A 18 117.373 -11.784 1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 117.181 -9.325 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.267 -9.174 1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.389 -10.129 1.220 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.915 -8.487 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.922 -11.816 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 18 116.486 -11.447 -1.891 1.00 0.00 H new ATOM 303 N VAL A 19 120.016 -11.346 2.983 1.00 0.00 N ATOM 304 CA VAL A 19 121.458 -11.561 2.986 1.00 0.00 C ATOM 305 C VAL A 19 121.771 -12.965 2.481 1.00 0.00 C ATOM 306 O VAL A 19 122.690 -13.167 1.683 1.00 0.00 O ATOM 307 CB VAL A 19 122.070 -11.365 4.393 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.559 -11.684 4.389 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.839 -9.946 4.884 1.00 0.00 C ATOM 0 H VAL A 19 119.602 -11.210 3.905 1.00 0.00 H new ATOM 0 HA VAL A 19 121.904 -10.818 2.324 1.00 0.00 H new ATOM 0 HB VAL A 19 121.573 -12.056 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.965 -11.538 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.708 -12.720 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 19 124.071 -11.023 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.277 -9.828 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.306 -9.242 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.768 -9.748 4.934 1.00 0.00 H new ATOM 319 N ALA A 20 120.977 -13.929 2.931 1.00 0.00 N ATOM 320 CA ALA A 20 121.128 -15.313 2.503 1.00 0.00 C ATOM 321 C ALA A 20 120.661 -15.493 1.060 1.00 0.00 C ATOM 322 O ALA A 20 121.007 -16.473 0.400 1.00 0.00 O ATOM 323 CB ALA A 20 120.352 -16.234 3.434 1.00 0.00 C ATOM 0 H ALA A 20 120.219 -13.776 3.596 1.00 0.00 H new ATOM 0 HA ALA A 20 122.185 -15.574 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.471 -17.267 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.733 -16.130 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.296 -15.966 3.414 1.00 0.00 H new ATOM 329 N LYS A 21 119.872 -14.538 0.577 1.00 0.00 N ATOM 330 CA LYS A 21 119.355 -14.580 -0.786 1.00 0.00 C ATOM 331 C LYS A 21 119.919 -13.431 -1.612 1.00 0.00 C ATOM 332 O LYS A 21 119.289 -12.978 -2.563 1.00 0.00 O ATOM 333 CB LYS A 21 117.826 -14.508 -0.782 1.00 0.00 C ATOM 334 CG LYS A 21 117.172 -15.642 -0.013 1.00 0.00 C ATOM 335 CD LYS A 21 115.672 -15.709 -0.255 1.00 0.00 C ATOM 336 CE LYS A 21 115.352 -15.954 -1.721 1.00 0.00 C ATOM 337 NZ LYS A 21 113.905 -16.222 -1.942 1.00 0.00 N ATOM 0 H LYS A 21 119.576 -13.722 1.113 1.00 0.00 H new ATOM 0 HA LYS A 21 119.666 -15.523 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.515 -13.558 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.466 -14.521 -1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.628 -16.588 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.361 -15.513 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 21 115.240 -16.506 0.350 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.209 -14.777 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.653 -15.086 -2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.936 -16.800 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.672 -16.066 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 113.691 -17.207 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.339 -15.581 -1.351 1.00 0.00 H new ATOM 351 N GLY A 22 121.116 -12.983 -1.256 1.00 0.00 N ATOM 352 CA GLY A 22 121.716 -11.838 -1.917 1.00 0.00 C ATOM 353 C GLY A 22 122.073 -12.100 -3.370 1.00 0.00 C ATOM 354 O GLY A 22 122.256 -11.164 -4.148 1.00 0.00 O ATOM 0 H GLY A 22 121.686 -13.394 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.026 -10.996 -1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.616 -11.546 -1.376 1.00 0.00 H new ATOM 358 N ALA A 23 122.174 -13.371 -3.737 1.00 0.00 N ATOM 359 CA ALA A 23 122.542 -13.741 -5.094 1.00 0.00 C ATOM 360 C ALA A 23 121.306 -13.982 -5.954 1.00 0.00 C ATOM 361 O ALA A 23 121.242 -13.533 -7.099 1.00 0.00 O ATOM 362 CB ALA A 23 123.430 -14.975 -5.083 1.00 0.00 C ATOM 0 H ALA A 23 122.006 -14.161 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 23 123.098 -12.912 -5.531 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.697 -15.240 -6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.336 -14.766 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 23 122.894 -15.805 -4.621 1.00 0.00 H new ATOM 368 N ALA A 24 120.328 -14.686 -5.398 1.00 0.00 N ATOM 369 CA ALA A 24 119.124 -15.037 -6.141 1.00 0.00 C ATOM 370 C ALA A 24 118.103 -13.905 -6.112 1.00 0.00 C ATOM 371 O ALA A 24 117.367 -13.699 -7.078 1.00 0.00 O ATOM 372 CB ALA A 24 118.512 -16.314 -5.587 1.00 0.00 C ATOM 0 H ALA A 24 120.345 -15.025 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 24 119.410 -15.204 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 24 117.614 -16.562 -6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.231 -17.129 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.252 -16.168 -4.539 1.00 0.00 H new ATOM 378 N GLY A 25 118.060 -13.175 -5.009 1.00 0.00 N ATOM 379 CA GLY A 25 117.098 -12.104 -4.866 1.00 0.00 C ATOM 380 C GLY A 25 115.761 -12.603 -4.353 1.00 0.00 C ATOM 381 O GLY A 25 115.639 -13.761 -3.949 1.00 0.00 O ATOM 0 H GLY A 25 118.677 -13.306 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.491 -11.353 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.956 -11.614 -5.829 1.00 0.00 H new ATOM 385 N GLU A 26 114.766 -11.730 -4.352 1.00 0.00 N ATOM 386 CA GLU A 26 113.423 -12.096 -3.925 1.00 0.00 C ATOM 387 C GLU A 26 112.384 -11.410 -4.806 1.00 0.00 C ATOM 388 O GLU A 26 112.600 -10.289 -5.273 1.00 0.00 O ATOM 389 CB GLU A 26 113.209 -11.722 -2.454 1.00 0.00 C ATOM 390 CG GLU A 26 111.879 -12.200 -1.888 1.00 0.00 C ATOM 391 CD GLU A 26 111.679 -13.691 -2.065 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.121 -14.464 -1.193 1.00 0.00 O ATOM 393 OE2 GLU A 26 111.092 -14.102 -3.090 1.00 0.00 O ATOM 0 H GLU A 26 114.863 -10.757 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 26 113.307 -13.175 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.019 -12.144 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.269 -10.639 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.829 -11.953 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.065 -11.666 -2.379 1.00 0.00 H new ATOM 400 N ALA A 27 111.265 -12.088 -5.025 1.00 0.00 N ATOM 401 CA ALA A 27 110.203 -11.570 -5.871 1.00 0.00 C ATOM 402 C ALA A 27 109.237 -10.722 -5.055 1.00 0.00 C ATOM 403 O ALA A 27 108.561 -11.221 -4.157 1.00 0.00 O ATOM 404 CB ALA A 27 109.464 -12.713 -6.549 1.00 0.00 C ATOM 0 H ALA A 27 111.071 -13.005 -4.624 1.00 0.00 H new ATOM 0 HA ALA A 27 110.649 -10.939 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.671 -12.310 -7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.161 -13.284 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.029 -13.365 -5.792 1.00 0.00 H new ATOM 410 N TRP A 28 109.179 -9.440 -5.372 1.00 0.00 N ATOM 411 CA TRP A 28 108.336 -8.508 -4.640 1.00 0.00 C ATOM 412 C TRP A 28 106.924 -8.477 -5.232 1.00 0.00 C ATOM 413 O TRP A 28 106.573 -7.575 -5.992 1.00 0.00 O ATOM 414 CB TRP A 28 108.970 -7.113 -4.666 1.00 0.00 C ATOM 415 CG TRP A 28 108.689 -6.289 -3.442 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.068 -5.075 -3.394 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.032 -6.617 -2.087 1.00 0.00 C ATOM 418 NE1 TRP A 28 108.010 -4.623 -2.095 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.590 -5.554 -1.276 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.669 -7.705 -1.482 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.767 -5.549 0.108 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.842 -7.698 -0.110 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.393 -6.628 0.672 1.00 0.00 C ATOM 0 H TRP A 28 109.708 -9.018 -6.135 1.00 0.00 H new ATOM 0 HA TRP A 28 108.255 -8.839 -3.605 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.049 -7.218 -4.780 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.607 -6.577 -5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.678 -4.545 -4.251 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.602 -3.739 -1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.020 -8.536 -2.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.422 -4.723 0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.333 -8.534 0.367 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.543 -6.654 1.741 1.00 0.00 H new ATOM 434 N THR A 29 106.140 -9.498 -4.905 1.00 0.00 N ATOM 435 CA THR A 29 104.756 -9.597 -5.358 1.00 0.00 C ATOM 436 C THR A 29 103.798 -9.239 -4.225 1.00 0.00 C ATOM 437 O THR A 29 104.166 -9.292 -3.049 1.00 0.00 O ATOM 438 CB THR A 29 104.424 -11.018 -5.900 1.00 0.00 C ATOM 439 OG1 THR A 29 103.021 -11.281 -5.818 1.00 0.00 O ATOM 440 CG2 THR A 29 105.192 -12.096 -5.153 1.00 0.00 C ATOM 0 H THR A 29 106.443 -10.277 -4.321 1.00 0.00 H new ATOM 0 HA THR A 29 104.631 -8.888 -6.176 1.00 0.00 H new ATOM 0 HB THR A 29 104.730 -11.041 -6.946 1.00 0.00 H new ATOM 0 HG1 THR A 29 102.527 -10.563 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 29 104.934 -13.074 -5.559 1.00 0.00 H new ATOM 0 HG22 THR A 29 106.263 -11.926 -5.268 1.00 0.00 H new ATOM 0 HG23 THR A 29 104.931 -12.062 -4.095 1.00 0.00 H new ATOM 448 N GLY A 30 102.574 -8.868 -4.584 1.00 0.00 N ATOM 449 CA GLY A 30 101.583 -8.540 -3.583 1.00 0.00 C ATOM 450 C GLY A 30 101.352 -7.051 -3.456 1.00 0.00 C ATOM 451 O GLY A 30 100.854 -6.576 -2.432 1.00 0.00 O ATOM 0 H GLY A 30 102.253 -8.789 -5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.642 -9.029 -3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.901 -8.938 -2.619 1.00 0.00 H new ATOM 455 N VAL A 31 101.706 -6.303 -4.491 1.00 0.00 N ATOM 456 CA VAL A 31 101.505 -4.862 -4.488 1.00 0.00 C ATOM 457 C VAL A 31 100.031 -4.515 -4.707 1.00 0.00 C ATOM 458 O VAL A 31 99.565 -4.367 -5.834 1.00 0.00 O ATOM 459 CB VAL A 31 102.388 -4.146 -5.537 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.837 -4.117 -5.074 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.284 -4.823 -6.899 1.00 0.00 C ATOM 0 H VAL A 31 102.133 -6.669 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 31 101.809 -4.503 -3.505 1.00 0.00 H new ATOM 0 HB VAL A 31 102.027 -3.123 -5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.448 -3.610 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.906 -3.583 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.197 -5.137 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 31 102.915 -4.298 -7.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 102.613 -5.859 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.249 -4.797 -7.240 1.00 0.00 H new ATOM 471 N ARG A 32 99.301 -4.400 -3.608 1.00 0.00 N ATOM 472 CA ARG A 32 97.885 -4.064 -3.659 1.00 0.00 C ATOM 473 C ARG A 32 97.710 -2.560 -3.806 1.00 0.00 C ATOM 474 O ARG A 32 96.638 -2.077 -4.169 1.00 0.00 O ATOM 475 CB ARG A 32 97.173 -4.560 -2.400 1.00 0.00 C ATOM 476 CG ARG A 32 97.351 -6.049 -2.158 1.00 0.00 C ATOM 477 CD ARG A 32 96.627 -6.505 -0.904 1.00 0.00 C ATOM 478 NE ARG A 32 95.175 -6.429 -1.045 1.00 0.00 N ATOM 479 CZ ARG A 32 94.318 -7.004 -0.203 1.00 0.00 C ATOM 480 NH1 ARG A 32 94.766 -7.650 0.866 1.00 0.00 N ATOM 481 NH2 ARG A 32 93.013 -6.916 -0.427 1.00 0.00 N ATOM 0 H ARG A 32 99.667 -4.535 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 32 97.440 -4.556 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 32 97.550 -4.011 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.109 -4.336 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 32 96.976 -6.605 -3.017 1.00 0.00 H new ATOM 0 HG3 ARG A 32 98.413 -6.279 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 32 96.914 -7.531 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 32 96.941 -5.889 -0.061 1.00 0.00 H new ATOM 0 HE ARG A 32 94.796 -5.905 -1.834 1.00 0.00 H new ATOM 0 HH11 ARG A 32 95.769 -7.707 1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 32 94.108 -8.089 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 32 92.669 -6.409 -1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 92.354 -7.355 0.216 1.00 0.00 H new ATOM 495 N ASN A 33 98.776 -1.826 -3.522 1.00 0.00 N ATOM 496 CA ASN A 33 98.773 -0.382 -3.688 1.00 0.00 C ATOM 497 C ASN A 33 99.194 -0.034 -5.105 1.00 0.00 C ATOM 498 O ASN A 33 100.331 -0.287 -5.508 1.00 0.00 O ATOM 499 CB ASN A 33 99.706 0.291 -2.678 1.00 0.00 C ATOM 500 CG ASN A 33 99.216 0.156 -1.249 1.00 0.00 C ATOM 501 OD1 ASN A 33 98.017 0.061 -0.992 1.00 0.00 O ATOM 502 ND2 ASN A 33 100.143 0.154 -0.303 1.00 0.00 N ATOM 0 H ASN A 33 99.655 -2.209 -3.175 1.00 0.00 H new ATOM 0 HA ASN A 33 97.763 -0.013 -3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 33 100.701 -0.148 -2.760 1.00 0.00 H new ATOM 0 HB3 ASN A 33 99.802 1.348 -2.927 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.872 0.072 0.677 1.00 0.00 H new ATOM 0 HD22 ASN A 33 101.128 0.235 -0.554 1.00 0.00 H new ATOM 509 N HIS A 34 98.277 0.553 -5.855 1.00 0.00 N ATOM 510 CA HIS A 34 98.504 0.827 -7.268 1.00 0.00 C ATOM 511 C HIS A 34 99.488 1.975 -7.459 1.00 0.00 C ATOM 512 O HIS A 34 100.114 2.095 -8.513 1.00 0.00 O ATOM 513 CB HIS A 34 97.179 1.117 -7.982 1.00 0.00 C ATOM 514 CG HIS A 34 96.270 -0.076 -8.054 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.805 -0.603 -9.240 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.746 -0.852 -7.073 1.00 0.00 C ATOM 517 CE1 HIS A 34 95.040 -1.650 -8.985 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.990 -1.820 -7.680 1.00 0.00 N ATOM 0 H HIS A 34 97.365 0.851 -5.510 1.00 0.00 H new ATOM 0 HA HIS A 34 98.946 -0.063 -7.715 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.665 1.926 -7.464 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.388 1.467 -8.993 1.00 0.00 H new ATOM 0 HD2 HIS A 34 95.897 -0.730 -6.011 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.541 -2.262 -9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 34 94.472 -2.555 -7.198 1.00 0.00 H new ATOM 527 N SER A 35 99.642 2.803 -6.434 1.00 0.00 N ATOM 528 CA SER A 35 100.630 3.869 -6.465 1.00 0.00 C ATOM 529 C SER A 35 102.033 3.268 -6.444 1.00 0.00 C ATOM 530 O SER A 35 102.969 3.802 -7.048 1.00 0.00 O ATOM 531 CB SER A 35 100.430 4.804 -5.270 1.00 0.00 C ATOM 532 OG SER A 35 99.086 5.258 -5.202 1.00 0.00 O ATOM 0 H SER A 35 99.096 2.756 -5.574 1.00 0.00 H new ATOM 0 HA SER A 35 100.508 4.448 -7.380 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.689 4.283 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.103 5.657 -5.354 1.00 0.00 H new ATOM 0 HG SER A 35 98.980 5.853 -4.430 1.00 0.00 H new ATOM 538 N ALA A 36 102.164 2.134 -5.763 1.00 0.00 N ATOM 539 CA ALA A 36 103.427 1.417 -5.702 1.00 0.00 C ATOM 540 C ALA A 36 103.718 0.766 -7.047 1.00 0.00 C ATOM 541 O ALA A 36 104.867 0.713 -7.482 1.00 0.00 O ATOM 542 CB ALA A 36 103.400 0.375 -4.595 1.00 0.00 C ATOM 0 H ALA A 36 101.405 1.692 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 36 104.223 2.126 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.355 -0.150 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.227 0.866 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.599 -0.339 -4.787 1.00 0.00 H new ATOM 548 N LYS A 37 102.661 0.291 -7.701 1.00 0.00 N ATOM 549 CA LYS A 37 102.774 -0.295 -9.032 1.00 0.00 C ATOM 550 C LYS A 37 103.323 0.736 -10.010 1.00 0.00 C ATOM 551 O LYS A 37 104.236 0.448 -10.782 1.00 0.00 O ATOM 552 CB LYS A 37 101.409 -0.795 -9.519 1.00 0.00 C ATOM 553 CG LYS A 37 101.462 -1.485 -10.873 1.00 0.00 C ATOM 554 CD LYS A 37 100.077 -1.870 -11.365 1.00 0.00 C ATOM 555 CE LYS A 37 100.147 -2.719 -12.626 1.00 0.00 C ATOM 556 NZ LYS A 37 100.808 -2.012 -13.754 1.00 0.00 N ATOM 0 H LYS A 37 101.712 0.301 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 37 103.458 -1.142 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.001 -1.488 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.722 0.049 -9.577 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.935 -0.824 -11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.084 -2.378 -10.802 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.553 -2.420 -10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.497 -0.969 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.690 -3.639 -12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.138 -3.006 -12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 100.755 -2.599 -14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.327 -1.106 -13.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 101.805 -1.836 -13.517 1.00 0.00 H new ATOM 570 N LEU A 38 102.762 1.940 -9.956 1.00 0.00 N ATOM 571 CA LEU A 38 103.195 3.040 -10.811 1.00 0.00 C ATOM 572 C LEU A 38 104.689 3.298 -10.630 1.00 0.00 C ATOM 573 O LEU A 38 105.426 3.459 -11.603 1.00 0.00 O ATOM 574 CB LEU A 38 102.373 4.301 -10.492 1.00 0.00 C ATOM 575 CG LEU A 38 102.588 5.510 -11.417 1.00 0.00 C ATOM 576 CD1 LEU A 38 101.352 6.397 -11.410 1.00 0.00 C ATOM 577 CD2 LEU A 38 103.802 6.323 -10.987 1.00 0.00 C ATOM 0 H LEU A 38 101.999 2.180 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 38 103.026 2.772 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.316 4.035 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.600 4.608 -9.471 1.00 0.00 H new ATOM 0 HG LEU A 38 102.764 5.135 -12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 38 101.513 7.251 -12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.492 5.826 -11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.164 6.751 -10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 103.929 7.171 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 38 103.655 6.686 -9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.692 5.695 -11.024 1.00 0.00 H new ATOM 589 N HIS A 39 105.137 3.314 -9.379 1.00 0.00 N ATOM 590 CA HIS A 39 106.544 3.559 -9.085 1.00 0.00 C ATOM 591 C HIS A 39 107.420 2.394 -9.542 1.00 0.00 C ATOM 592 O HIS A 39 108.545 2.601 -9.990 1.00 0.00 O ATOM 593 CB HIS A 39 106.765 3.822 -7.592 1.00 0.00 C ATOM 594 CG HIS A 39 106.214 5.132 -7.110 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.491 6.340 -7.718 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.400 5.418 -6.067 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.874 7.309 -7.068 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.204 6.777 -6.063 1.00 0.00 N ATOM 0 H HIS A 39 104.551 3.161 -8.558 1.00 0.00 H new ATOM 0 HA HIS A 39 106.834 4.450 -9.641 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.306 3.015 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.834 3.792 -7.384 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.982 4.709 -5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.911 8.359 -7.316 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.633 7.292 -5.392 1.00 0.00 H new ATOM 607 N MET A 40 106.900 1.173 -9.443 1.00 0.00 N ATOM 608 CA MET A 40 107.669 -0.013 -9.815 1.00 0.00 C ATOM 609 C MET A 40 107.823 -0.114 -11.331 1.00 0.00 C ATOM 610 O MET A 40 108.847 -0.575 -11.827 1.00 0.00 O ATOM 611 CB MET A 40 107.018 -1.286 -9.271 1.00 0.00 C ATOM 612 CG MET A 40 107.846 -2.538 -9.529 1.00 0.00 C ATOM 613 SD MET A 40 107.057 -4.049 -8.944 1.00 0.00 S ATOM 614 CE MET A 40 106.973 -3.744 -7.184 1.00 0.00 C ATOM 0 H MET A 40 105.955 0.979 -9.111 1.00 0.00 H new ATOM 0 HA MET A 40 108.659 0.088 -9.370 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.861 -1.176 -8.198 1.00 0.00 H new ATOM 0 HB3 MET A 40 106.035 -1.407 -9.726 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.035 -2.626 -10.599 1.00 0.00 H new ATOM 0 HG3 MET A 40 108.815 -2.431 -9.042 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.674 -4.658 -6.670 1.00 0.00 H new ATOM 0 HE2 MET A 40 107.952 -3.428 -6.822 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.242 -2.960 -6.985 1.00 0.00 H new ATOM 624 N VAL A 41 106.808 0.323 -12.066 1.00 0.00 N ATOM 625 CA VAL A 41 106.879 0.340 -13.525 1.00 0.00 C ATOM 626 C VAL A 41 107.962 1.311 -13.990 1.00 0.00 C ATOM 627 O VAL A 41 108.593 1.114 -15.032 1.00 0.00 O ATOM 628 CB VAL A 41 105.518 0.729 -14.155 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.623 0.839 -15.670 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.441 -0.277 -13.775 1.00 0.00 C ATOM 0 H VAL A 41 105.930 0.669 -11.680 1.00 0.00 H new ATOM 0 HA VAL A 41 107.130 -0.668 -13.856 1.00 0.00 H new ATOM 0 HB VAL A 41 105.239 1.706 -13.761 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.652 1.113 -16.083 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.356 1.602 -15.929 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.936 -0.120 -16.084 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.494 0.016 -14.228 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.725 -1.266 -14.134 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.332 -0.302 -12.691 1.00 0.00 H new ATOM 640 N ALA A 42 108.192 2.346 -13.189 1.00 0.00 N ATOM 641 CA ALA A 42 109.211 3.341 -13.490 1.00 0.00 C ATOM 642 C ALA A 42 110.595 2.847 -13.076 1.00 0.00 C ATOM 643 O ALA A 42 111.612 3.452 -13.422 1.00 0.00 O ATOM 644 CB ALA A 42 108.883 4.652 -12.792 1.00 0.00 C ATOM 0 H ALA A 42 107.682 2.517 -12.322 1.00 0.00 H new ATOM 0 HA ALA A 42 109.222 3.508 -14.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.651 5.390 -13.024 1.00 0.00 H new ATOM 0 HB2 ALA A 42 107.915 5.016 -13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 108.847 4.491 -11.714 1.00 0.00 H new ATOM 650 N MET A 43 110.629 1.740 -12.340 1.00 0.00 N ATOM 651 CA MET A 43 111.888 1.164 -11.881 1.00 0.00 C ATOM 652 C MET A 43 112.604 0.461 -13.020 1.00 0.00 C ATOM 653 O MET A 43 111.981 0.017 -13.990 1.00 0.00 O ATOM 654 CB MET A 43 111.660 0.167 -10.740 1.00 0.00 C ATOM 655 CG MET A 43 111.215 0.806 -9.437 1.00 0.00 C ATOM 656 SD MET A 43 110.905 -0.417 -8.146 1.00 0.00 S ATOM 657 CE MET A 43 110.528 0.648 -6.760 1.00 0.00 C ATOM 0 H MET A 43 109.799 1.224 -12.049 1.00 0.00 H new ATOM 0 HA MET A 43 112.505 1.985 -11.515 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.909 -0.559 -11.051 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.583 -0.385 -10.565 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.980 1.504 -9.097 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.309 1.386 -9.610 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.876 0.121 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.452 0.926 -6.253 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.025 1.547 -7.118 1.00 0.00 H new ATOM 667 N ARG A 44 113.916 0.377 -12.902 1.00 0.00 N ATOM 668 CA ARG A 44 114.736 -0.310 -13.881 1.00 0.00 C ATOM 669 C ARG A 44 115.970 -0.890 -13.200 1.00 0.00 C ATOM 670 O ARG A 44 116.354 -0.438 -12.122 1.00 0.00 O ATOM 671 CB ARG A 44 115.127 0.652 -15.008 1.00 0.00 C ATOM 672 CG ARG A 44 115.971 0.020 -16.101 1.00 0.00 C ATOM 673 CD ARG A 44 115.848 0.779 -17.409 1.00 0.00 C ATOM 674 NE ARG A 44 114.488 0.711 -17.947 1.00 0.00 N ATOM 675 CZ ARG A 44 114.201 0.392 -19.207 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.174 0.091 -20.059 1.00 0.00 N ATOM 677 NH2 ARG A 44 112.935 0.354 -19.604 1.00 0.00 N ATOM 0 H ARG A 44 114.442 0.782 -12.127 1.00 0.00 H new ATOM 0 HA ARG A 44 114.168 -1.130 -14.321 1.00 0.00 H new ATOM 0 HB2 ARG A 44 114.220 1.059 -15.455 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.676 1.491 -14.580 1.00 0.00 H new ATOM 0 HG2 ARG A 44 117.015 -0.002 -15.789 1.00 0.00 H new ATOM 0 HG3 ARG A 44 115.661 -1.014 -16.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 116.126 1.821 -17.253 1.00 0.00 H new ATOM 0 HD3 ARG A 44 116.548 0.368 -18.136 1.00 0.00 H new ATOM 0 HE ARG A 44 113.713 0.921 -17.318 1.00 0.00 H new ATOM 0 HH11 ARG A 44 116.146 0.104 -19.749 1.00 0.00 H new ATOM 0 HH12 ARG A 44 114.950 -0.153 -21.024 1.00 0.00 H new ATOM 0 HH21 ARG A 44 112.187 0.569 -18.945 1.00 0.00 H new ATOM 0 HH22 ARG A 44 112.710 0.110 -20.569 1.00 0.00 H new ATOM 691 N ARG A 45 116.560 -1.906 -13.809 1.00 0.00 N ATOM 692 CA ARG A 45 117.760 -2.537 -13.274 1.00 0.00 C ATOM 693 C ARG A 45 118.837 -1.494 -12.992 1.00 0.00 C ATOM 694 O ARG A 45 119.246 -0.756 -13.889 1.00 0.00 O ATOM 695 CB ARG A 45 118.281 -3.559 -14.274 1.00 0.00 C ATOM 696 CG ARG A 45 119.128 -4.650 -13.655 1.00 0.00 C ATOM 697 CD ARG A 45 119.586 -5.642 -14.707 1.00 0.00 C ATOM 698 NE ARG A 45 118.515 -5.992 -15.640 1.00 0.00 N ATOM 699 CZ ARG A 45 118.376 -7.196 -16.187 1.00 0.00 C ATOM 700 NH1 ARG A 45 119.224 -8.170 -15.884 1.00 0.00 N ATOM 701 NH2 ARG A 45 117.388 -7.425 -17.040 1.00 0.00 N ATOM 0 H ARG A 45 116.225 -2.315 -14.681 1.00 0.00 H new ATOM 0 HA ARG A 45 117.509 -3.034 -12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.434 -4.017 -14.785 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.869 -3.043 -15.032 1.00 0.00 H new ATOM 0 HG2 ARG A 45 119.995 -4.208 -13.164 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.555 -5.168 -12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 45 120.425 -5.220 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.949 -6.546 -14.218 1.00 0.00 H new ATOM 0 HE ARG A 45 117.836 -5.271 -15.885 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.987 -7.997 -15.229 1.00 0.00 H new ATOM 0 HH12 ARG A 45 119.114 -9.092 -16.306 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.735 -6.678 -17.276 1.00 0.00 H new ATOM 0 HH22 ARG A 45 117.281 -8.348 -17.460 1.00 0.00 H new ATOM 715 N GLY A 46 119.294 -1.440 -11.748 1.00 0.00 N ATOM 716 CA GLY A 46 120.258 -0.430 -11.356 1.00 0.00 C ATOM 717 C GLY A 46 119.677 0.527 -10.340 1.00 0.00 C ATOM 718 O GLY A 46 120.412 1.212 -9.621 1.00 0.00 O ATOM 0 H GLY A 46 119.014 -2.078 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.142 -0.912 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.583 0.125 -12.236 1.00 0.00 H new ATOM 722 N ASP A 47 118.350 0.582 -10.295 1.00 0.00 N ATOM 723 CA ASP A 47 117.645 1.353 -9.283 1.00 0.00 C ATOM 724 C ASP A 47 117.861 0.717 -7.924 1.00 0.00 C ATOM 725 O ASP A 47 117.925 -0.510 -7.812 1.00 0.00 O ATOM 726 CB ASP A 47 116.146 1.418 -9.584 1.00 0.00 C ATOM 727 CG ASP A 47 115.801 2.347 -10.732 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.714 2.743 -11.491 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.613 2.697 -10.871 1.00 0.00 O ATOM 0 H ASP A 47 117.740 0.098 -10.953 1.00 0.00 H new ATOM 0 HA ASP A 47 118.040 2.369 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.786 0.416 -9.817 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.617 1.747 -8.689 1.00 0.00 H new ATOM 734 N ARG A 48 117.978 1.535 -6.894 1.00 0.00 N ATOM 735 CA ARG A 48 118.269 1.028 -5.565 1.00 0.00 C ATOM 736 C ARG A 48 117.389 1.703 -4.529 1.00 0.00 C ATOM 737 O ARG A 48 117.124 2.903 -4.605 1.00 0.00 O ATOM 738 CB ARG A 48 119.756 1.213 -5.243 1.00 0.00 C ATOM 739 CG ARG A 48 120.649 0.381 -6.148 1.00 0.00 C ATOM 740 CD ARG A 48 122.125 0.605 -5.886 1.00 0.00 C ATOM 741 NE ARG A 48 122.940 -0.249 -6.750 1.00 0.00 N ATOM 742 CZ ARG A 48 124.263 -0.352 -6.690 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.961 0.353 -5.809 1.00 0.00 N ATOM 744 NH2 ARG A 48 124.888 -1.172 -7.523 1.00 0.00 N ATOM 0 H ARG A 48 117.877 2.548 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 48 118.047 -0.039 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.019 2.266 -5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.938 0.938 -4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.416 -0.675 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.429 0.621 -7.188 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.375 1.651 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.350 0.393 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 48 122.455 -0.808 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.482 0.984 -5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.977 0.264 -5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.353 -1.715 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.904 -1.259 -7.486 1.00 0.00 H new ATOM 758 N ALA A 49 116.925 0.919 -3.571 1.00 0.00 N ATOM 759 CA ALA A 49 116.001 1.406 -2.567 1.00 0.00 C ATOM 760 C ALA A 49 116.531 1.164 -1.162 1.00 0.00 C ATOM 761 O ALA A 49 117.409 0.323 -0.958 1.00 0.00 O ATOM 762 CB ALA A 49 114.649 0.726 -2.737 1.00 0.00 C ATOM 0 H ALA A 49 117.177 -0.064 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 49 115.889 2.482 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.958 1.096 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.253 0.947 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.767 -0.352 -2.625 1.00 0.00 H new ATOM 768 N PHE A 50 115.982 1.889 -0.200 1.00 0.00 N ATOM 769 CA PHE A 50 116.318 1.676 1.199 1.00 0.00 C ATOM 770 C PHE A 50 115.377 0.652 1.805 1.00 0.00 C ATOM 771 O PHE A 50 114.157 0.777 1.700 1.00 0.00 O ATOM 772 CB PHE A 50 116.213 2.977 2.005 1.00 0.00 C ATOM 773 CG PHE A 50 117.382 3.911 1.856 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.681 3.428 1.855 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.180 5.279 1.746 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.754 4.290 1.745 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.252 6.144 1.634 1.00 0.00 C ATOM 778 CZ PHE A 50 119.540 5.649 1.633 1.00 0.00 C ATOM 0 H PHE A 50 115.301 2.631 -0.363 1.00 0.00 H new ATOM 0 HA PHE A 50 117.347 1.319 1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.307 3.502 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.100 2.726 3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.856 2.366 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.174 5.672 1.748 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.761 3.901 1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 50 118.082 7.207 1.547 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.379 6.323 1.545 1.00 0.00 H new ATOM 788 N TYR A 51 115.947 -0.366 2.421 1.00 0.00 N ATOM 789 CA TYR A 51 115.155 -1.388 3.082 1.00 0.00 C ATOM 790 C TYR A 51 114.816 -0.929 4.494 1.00 0.00 C ATOM 791 O TYR A 51 115.658 -0.969 5.398 1.00 0.00 O ATOM 792 CB TYR A 51 115.911 -2.718 3.108 1.00 0.00 C ATOM 793 CG TYR A 51 115.059 -3.888 3.546 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.218 -4.529 2.645 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.092 -4.348 4.854 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.436 -5.596 3.037 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.313 -5.416 5.253 1.00 0.00 C ATOM 798 CZ TYR A 51 113.487 -6.035 4.342 1.00 0.00 C ATOM 799 OH TYR A 51 112.708 -7.093 4.740 1.00 0.00 O ATOM 0 H TYR A 51 116.955 -0.508 2.478 1.00 0.00 H new ATOM 0 HA TYR A 51 114.229 -1.542 2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.308 -2.920 2.113 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.764 -2.629 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.176 -4.187 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.737 -3.863 5.572 1.00 0.00 H new ATOM 0 HE1 TYR A 51 112.787 -6.084 2.325 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.351 -5.764 6.275 1.00 0.00 H new ATOM 0 HH TYR A 51 112.650 -7.107 5.718 1.00 0.00 H new ATOM 809 N TYR A 52 113.587 -0.476 4.669 1.00 0.00 N ATOM 810 CA TYR A 52 113.146 0.095 5.929 1.00 0.00 C ATOM 811 C TYR A 52 112.182 -0.843 6.648 1.00 0.00 C ATOM 812 O TYR A 52 111.187 -1.292 6.077 1.00 0.00 O ATOM 813 CB TYR A 52 112.495 1.456 5.664 1.00 0.00 C ATOM 814 CG TYR A 52 111.816 2.087 6.864 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.545 2.789 7.812 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.441 1.984 7.039 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.925 3.371 8.902 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.814 2.563 8.123 1.00 0.00 C ATOM 819 CZ TYR A 52 110.559 3.253 9.052 1.00 0.00 C ATOM 820 OH TYR A 52 109.936 3.827 10.134 1.00 0.00 O ATOM 0 H TYR A 52 112.869 -0.493 3.945 1.00 0.00 H new ATOM 0 HA TYR A 52 114.009 0.232 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.258 2.141 5.296 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.759 1.341 4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.615 2.883 7.697 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.853 1.441 6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.507 3.915 9.632 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.744 2.475 8.242 1.00 0.00 H new ATOM 0 HH TYR A 52 108.973 3.651 10.088 1.00 0.00 H new ATOM 830 N HIS A 53 112.490 -1.148 7.901 1.00 0.00 N ATOM 831 CA HIS A 53 111.614 -1.971 8.726 1.00 0.00 C ATOM 832 C HIS A 53 110.452 -1.137 9.240 1.00 0.00 C ATOM 833 O HIS A 53 110.659 -0.112 9.879 1.00 0.00 O ATOM 834 CB HIS A 53 112.375 -2.575 9.913 1.00 0.00 C ATOM 835 CG HIS A 53 113.322 -3.670 9.536 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.526 -3.883 10.173 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.224 -4.633 8.591 1.00 0.00 C ATOM 838 CE1 HIS A 53 115.126 -4.923 9.634 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.359 -5.400 8.673 1.00 0.00 N ATOM 0 H HIS A 53 113.341 -0.838 8.370 1.00 0.00 H new ATOM 0 HA HIS A 53 111.238 -2.786 8.108 1.00 0.00 H new ATOM 0 HB2 HIS A 53 112.932 -1.784 10.415 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.655 -2.964 10.633 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.894 -3.322 10.942 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.405 -4.772 7.901 1.00 0.00 H new ATOM 0 HE1 HIS A 53 116.086 -5.320 9.929 1.00 0.00 H new ATOM 848 N SER A 54 109.240 -1.568 8.948 1.00 0.00 N ATOM 849 CA SER A 54 108.056 -0.855 9.397 1.00 0.00 C ATOM 850 C SER A 54 107.438 -1.554 10.599 1.00 0.00 C ATOM 851 O SER A 54 107.562 -2.774 10.738 1.00 0.00 O ATOM 852 CB SER A 54 107.045 -0.766 8.260 1.00 0.00 C ATOM 853 OG SER A 54 107.647 -0.209 7.107 1.00 0.00 O ATOM 0 H SER A 54 109.048 -2.408 8.402 1.00 0.00 H new ATOM 0 HA SER A 54 108.344 0.153 9.697 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.657 -1.759 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.196 -0.154 8.566 1.00 0.00 H new ATOM 0 HG SER A 54 108.335 0.435 7.376 1.00 0.00 H new ATOM 859 N ASN A 55 106.796 -0.766 11.465 1.00 0.00 N ATOM 860 CA ASN A 55 106.116 -1.267 12.663 1.00 0.00 C ATOM 861 C ASN A 55 107.117 -1.719 13.716 1.00 0.00 C ATOM 862 O ASN A 55 107.217 -1.117 14.786 1.00 0.00 O ATOM 863 CB ASN A 55 105.132 -2.399 12.324 1.00 0.00 C ATOM 864 CG ASN A 55 103.956 -1.912 11.496 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.560 -0.748 11.583 1.00 0.00 O ATOM 866 ND2 ASN A 55 103.382 -2.796 10.695 1.00 0.00 N ATOM 0 H ASN A 55 106.733 0.246 11.354 1.00 0.00 H new ATOM 0 HA ASN A 55 105.539 -0.440 13.077 1.00 0.00 H new ATOM 0 HB2 ASN A 55 105.658 -3.183 11.779 1.00 0.00 H new ATOM 0 HB3 ASN A 55 104.763 -2.845 13.247 1.00 0.00 H new ATOM 0 HD21 ASN A 55 102.583 -2.522 10.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 103.738 -3.751 10.650 1.00 0.00 H new ATOM 873 N GLU A 56 107.867 -2.763 13.412 1.00 0.00 N ATOM 874 CA GLU A 56 108.856 -3.277 14.338 1.00 0.00 C ATOM 875 C GLU A 56 110.252 -2.822 13.931 1.00 0.00 C ATOM 876 O GLU A 56 110.714 -3.104 12.822 1.00 0.00 O ATOM 877 CB GLU A 56 108.799 -4.803 14.388 1.00 0.00 C ATOM 878 CG GLU A 56 109.654 -5.404 15.493 1.00 0.00 C ATOM 879 CD GLU A 56 109.164 -5.022 16.875 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.425 -3.882 17.316 1.00 0.00 O ATOM 881 OE2 GLU A 56 108.519 -5.866 17.531 1.00 0.00 O ATOM 0 H GLU A 56 107.809 -3.271 12.529 1.00 0.00 H new ATOM 0 HA GLU A 56 108.633 -2.885 15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 56 107.764 -5.116 14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.125 -5.203 13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 56 109.655 -6.490 15.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 110.685 -5.073 15.372 1.00 0.00 H new ATOM 888 N GLY A 57 110.904 -2.082 14.814 1.00 0.00 N ATOM 889 CA GLY A 57 112.269 -1.667 14.572 1.00 0.00 C ATOM 890 C GLY A 57 112.337 -0.265 14.018 1.00 0.00 C ATOM 891 O GLY A 57 112.970 0.610 14.609 1.00 0.00 O ATOM 0 H GLY A 57 110.510 -1.760 15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.835 -1.718 15.502 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.741 -2.358 13.873 1.00 0.00 H new ATOM 895 N LYS A 58 111.664 -0.063 12.887 1.00 0.00 N ATOM 896 CA LYS A 58 111.594 1.241 12.230 1.00 0.00 C ATOM 897 C LYS A 58 112.990 1.785 11.970 1.00 0.00 C ATOM 898 O LYS A 58 113.464 2.692 12.654 1.00 0.00 O ATOM 899 CB LYS A 58 110.752 2.210 13.059 1.00 0.00 C ATOM 900 CG LYS A 58 109.335 1.706 13.271 1.00 0.00 C ATOM 901 CD LYS A 58 108.523 2.636 14.153 1.00 0.00 C ATOM 902 CE LYS A 58 109.015 2.588 15.586 1.00 0.00 C ATOM 903 NZ LYS A 58 108.071 3.252 16.522 1.00 0.00 N ATOM 0 H LYS A 58 111.152 -0.799 12.400 1.00 0.00 H new ATOM 0 HA LYS A 58 111.105 1.123 11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.229 2.366 14.027 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.720 3.179 12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.841 1.600 12.305 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.367 0.715 13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 108.592 3.656 13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 58 107.471 2.353 14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 109.153 1.550 15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 58 109.990 3.071 15.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 108.446 3.196 17.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.958 4.250 16.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 107.148 2.775 16.480 1.00 0.00 H new ATOM 917 N GLU A 59 113.638 1.203 10.975 1.00 0.00 N ATOM 918 CA GLU A 59 115.042 1.464 10.713 1.00 0.00 C ATOM 919 C GLU A 59 115.379 1.154 9.257 1.00 0.00 C ATOM 920 O GLU A 59 114.771 0.272 8.642 1.00 0.00 O ATOM 921 CB GLU A 59 115.893 0.580 11.627 1.00 0.00 C ATOM 922 CG GLU A 59 115.748 -0.896 11.294 1.00 0.00 C ATOM 923 CD GLU A 59 116.315 -1.824 12.341 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.068 -1.365 13.222 1.00 0.00 O ATOM 925 OE2 GLU A 59 116.001 -3.031 12.276 1.00 0.00 O ATOM 0 H GLU A 59 113.208 0.540 10.330 1.00 0.00 H new ATOM 0 HA GLU A 59 115.250 2.516 10.906 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.940 0.870 11.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.603 0.747 12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.691 -1.124 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.243 -1.093 10.343 1.00 0.00 H new ATOM 932 N ILE A 60 116.333 1.886 8.714 1.00 0.00 N ATOM 933 CA ILE A 60 116.895 1.582 7.410 1.00 0.00 C ATOM 934 C ILE A 60 118.180 0.786 7.598 1.00 0.00 C ATOM 935 O ILE A 60 119.158 1.299 8.145 1.00 0.00 O ATOM 936 CB ILE A 60 117.193 2.864 6.605 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.915 3.688 6.425 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.801 2.514 5.253 1.00 0.00 C ATOM 939 CD1 ILE A 60 116.134 5.011 5.722 1.00 0.00 C ATOM 0 H ILE A 60 116.740 2.707 9.163 1.00 0.00 H new ATOM 0 HA ILE A 60 116.164 1.000 6.848 1.00 0.00 H new ATOM 0 HB ILE A 60 117.914 3.464 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.193 3.101 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.474 3.876 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 60 118.005 3.430 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.731 1.966 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 60 117.103 1.896 4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.183 5.537 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.831 5.618 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.545 4.831 4.729 1.00 0.00 H new ATOM 951 N VAL A 61 118.174 -0.466 7.168 1.00 0.00 N ATOM 952 CA VAL A 61 119.298 -1.358 7.441 1.00 0.00 C ATOM 953 C VAL A 61 120.185 -1.591 6.221 1.00 0.00 C ATOM 954 O VAL A 61 121.386 -1.820 6.361 1.00 0.00 O ATOM 955 CB VAL A 61 118.820 -2.723 7.984 1.00 0.00 C ATOM 956 CG1 VAL A 61 118.245 -2.569 9.380 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.790 -3.348 7.055 1.00 0.00 C ATOM 0 H VAL A 61 117.414 -0.887 6.634 1.00 0.00 H new ATOM 0 HA VAL A 61 119.893 -0.849 8.200 1.00 0.00 H new ATOM 0 HB VAL A 61 119.683 -3.387 8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.913 -3.541 9.746 1.00 0.00 H new ATOM 0 HG12 VAL A 61 119.010 -2.172 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.398 -1.884 9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.470 -4.308 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.929 -2.685 6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.232 -3.499 6.070 1.00 0.00 H new ATOM 967 N GLY A 62 119.613 -1.534 5.030 1.00 0.00 N ATOM 968 CA GLY A 62 120.393 -1.842 3.853 1.00 0.00 C ATOM 969 C GLY A 62 119.793 -1.302 2.580 1.00 0.00 C ATOM 970 O GLY A 62 118.691 -0.752 2.584 1.00 0.00 O ATOM 0 H GLY A 62 118.639 -1.284 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.397 -1.435 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.496 -2.924 3.767 1.00 0.00 H new ATOM 974 N ILE A 63 120.529 -1.467 1.494 1.00 0.00 N ATOM 975 CA ILE A 63 120.110 -0.997 0.186 1.00 0.00 C ATOM 976 C ILE A 63 119.842 -2.179 -0.741 1.00 0.00 C ATOM 977 O ILE A 63 120.704 -3.042 -0.935 1.00 0.00 O ATOM 978 CB ILE A 63 121.193 -0.091 -0.437 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.475 1.098 0.486 1.00 0.00 C ATOM 980 CG2 ILE A 63 120.764 0.391 -1.817 1.00 0.00 C ATOM 981 CD1 ILE A 63 122.716 1.878 0.114 1.00 0.00 C ATOM 0 H ILE A 63 121.437 -1.932 1.495 1.00 0.00 H new ATOM 0 HA ILE A 63 119.193 -0.421 0.310 1.00 0.00 H new ATOM 0 HB ILE A 63 122.109 -0.671 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.617 1.770 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.578 0.736 1.509 1.00 0.00 H new ATOM 0 HG21 ILE A 63 121.542 1.028 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 63 120.606 -0.468 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 63 119.837 0.958 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A 63 122.850 2.704 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.585 1.222 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 63 122.609 2.272 -0.897 1.00 0.00 H new ATOM 993 N ALA A 64 118.647 -2.214 -1.306 1.00 0.00 N ATOM 994 CA ALA A 64 118.263 -3.279 -2.218 1.00 0.00 C ATOM 995 C ALA A 64 118.291 -2.779 -3.654 1.00 0.00 C ATOM 996 O ALA A 64 117.773 -1.702 -3.950 1.00 0.00 O ATOM 997 CB ALA A 64 116.881 -3.810 -1.865 1.00 0.00 C ATOM 0 H ALA A 64 117.923 -1.514 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 64 118.979 -4.095 -2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.609 -4.607 -2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.891 -4.201 -0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.152 -3.003 -1.936 1.00 0.00 H new ATOM 1003 N GLU A 65 118.902 -3.552 -4.540 1.00 0.00 N ATOM 1004 CA GLU A 65 119.017 -3.159 -5.937 1.00 0.00 C ATOM 1005 C GLU A 65 118.044 -3.944 -6.803 1.00 0.00 C ATOM 1006 O GLU A 65 117.848 -5.147 -6.603 1.00 0.00 O ATOM 1007 CB GLU A 65 120.446 -3.371 -6.451 1.00 0.00 C ATOM 1008 CG GLU A 65 120.623 -3.018 -7.921 1.00 0.00 C ATOM 1009 CD GLU A 65 122.012 -3.319 -8.440 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.355 -4.514 -8.573 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.767 -2.366 -8.723 1.00 0.00 O ATOM 0 H GLU A 65 119.325 -4.453 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 65 118.772 -2.099 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.131 -2.767 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.727 -4.413 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 65 119.893 -3.571 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.410 -1.958 -8.062 1.00 0.00 H new ATOM 1018 N ILE A 66 117.437 -3.250 -7.754 1.00 0.00 N ATOM 1019 CA ILE A 66 116.586 -3.879 -8.749 1.00 0.00 C ATOM 1020 C ILE A 66 117.460 -4.571 -9.790 1.00 0.00 C ATOM 1021 O ILE A 66 118.116 -3.907 -10.594 1.00 0.00 O ATOM 1022 CB ILE A 66 115.696 -2.835 -9.462 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.948 -1.958 -8.450 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.714 -3.519 -10.400 1.00 0.00 C ATOM 1025 CD1 ILE A 66 113.971 -2.714 -7.576 1.00 0.00 C ATOM 0 H ILE A 66 117.521 -2.239 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 66 115.943 -4.600 -8.244 1.00 0.00 H new ATOM 0 HB ILE A 66 116.347 -2.189 -10.051 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.676 -1.457 -7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.408 -1.180 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.097 -2.767 -10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.263 -4.086 -11.152 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.077 -4.195 -9.830 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.485 -2.021 -6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.218 -3.193 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.505 -3.474 -7.006 1.00 0.00 H new ATOM 1037 N ILE A 67 117.496 -5.897 -9.761 1.00 0.00 N ATOM 1038 CA ILE A 67 118.304 -6.650 -10.716 1.00 0.00 C ATOM 1039 C ILE A 67 117.436 -7.300 -11.786 1.00 0.00 C ATOM 1040 O ILE A 67 117.930 -8.023 -12.649 1.00 0.00 O ATOM 1041 CB ILE A 67 119.169 -7.729 -10.031 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.330 -8.571 -9.063 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.337 -7.078 -9.311 1.00 0.00 C ATOM 1044 CD1 ILE A 67 119.059 -9.780 -8.514 1.00 0.00 C ATOM 0 H ILE A 67 116.981 -6.471 -9.093 1.00 0.00 H new ATOM 0 HA ILE A 67 118.971 -5.927 -11.185 1.00 0.00 H new ATOM 0 HB ILE A 67 119.561 -8.398 -10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 67 118.011 -7.942 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.427 -8.904 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.942 -7.847 -8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.948 -6.531 -10.029 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.960 -6.388 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 67 118.401 -10.325 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.354 -10.431 -9.337 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.947 -9.454 -7.973 1.00 0.00 H new ATOM 1056 N ARG A 68 116.144 -7.028 -11.730 1.00 0.00 N ATOM 1057 CA ARG A 68 115.212 -7.528 -12.725 1.00 0.00 C ATOM 1058 C ARG A 68 114.223 -6.434 -13.087 1.00 0.00 C ATOM 1059 O ARG A 68 113.638 -5.816 -12.202 1.00 0.00 O ATOM 1060 CB ARG A 68 114.453 -8.746 -12.197 1.00 0.00 C ATOM 1061 CG ARG A 68 113.494 -9.351 -13.211 1.00 0.00 C ATOM 1062 CD ARG A 68 114.117 -10.529 -13.943 1.00 0.00 C ATOM 1063 NE ARG A 68 114.232 -11.700 -13.077 1.00 0.00 N ATOM 1064 CZ ARG A 68 114.705 -12.884 -13.472 1.00 0.00 C ATOM 1065 NH1 ARG A 68 115.091 -13.067 -14.729 1.00 0.00 N ATOM 1066 NH2 ARG A 68 114.787 -13.890 -12.613 1.00 0.00 N ATOM 0 H ARG A 68 115.714 -6.459 -11.000 1.00 0.00 H new ATOM 0 HA ARG A 68 115.776 -7.827 -13.608 1.00 0.00 H new ATOM 0 HB2 ARG A 68 115.171 -9.506 -11.890 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.894 -8.458 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.586 -9.677 -12.703 1.00 0.00 H new ATOM 0 HG3 ARG A 68 113.199 -8.589 -13.933 1.00 0.00 H new ATOM 0 HD2 ARG A 68 113.511 -10.778 -14.814 1.00 0.00 H new ATOM 0 HD3 ARG A 68 115.104 -10.249 -14.310 1.00 0.00 H new ATOM 0 HE ARG A 68 113.931 -11.607 -12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 68 115.027 -12.300 -15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 68 115.452 -13.974 -15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 68 114.488 -13.761 -11.646 1.00 0.00 H new ATOM 0 HH22 ARG A 68 115.149 -14.793 -12.919 1.00 0.00 H new ATOM 1080 N GLU A 69 114.057 -6.188 -14.382 1.00 0.00 N ATOM 1081 CA GLU A 69 113.089 -5.199 -14.859 1.00 0.00 C ATOM 1082 C GLU A 69 111.680 -5.553 -14.374 1.00 0.00 C ATOM 1083 O GLU A 69 111.414 -6.704 -14.020 1.00 0.00 O ATOM 1084 CB GLU A 69 113.093 -5.141 -16.388 1.00 0.00 C ATOM 1085 CG GLU A 69 114.479 -5.200 -17.017 1.00 0.00 C ATOM 1086 CD GLU A 69 115.419 -4.106 -16.543 1.00 0.00 C ATOM 1087 OE1 GLU A 69 114.943 -3.059 -16.059 1.00 0.00 O ATOM 1088 OE2 GLU A 69 116.646 -4.293 -16.671 1.00 0.00 O ATOM 0 H GLU A 69 114.578 -6.658 -15.122 1.00 0.00 H new ATOM 0 HA GLU A 69 113.376 -4.226 -14.460 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.498 -5.969 -16.772 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.602 -4.221 -16.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.926 -6.169 -16.797 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.378 -5.134 -18.100 1.00 0.00 H new ATOM 1095 N ALA A 70 110.782 -4.574 -14.372 1.00 0.00 N ATOM 1096 CA ALA A 70 109.411 -4.799 -13.928 1.00 0.00 C ATOM 1097 C ALA A 70 108.698 -5.800 -14.835 1.00 0.00 C ATOM 1098 O ALA A 70 108.483 -5.539 -16.022 1.00 0.00 O ATOM 1099 CB ALA A 70 108.647 -3.483 -13.884 1.00 0.00 C ATOM 0 H ALA A 70 110.978 -3.619 -14.672 1.00 0.00 H new ATOM 0 HA ALA A 70 109.444 -5.219 -12.923 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.625 -3.666 -13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 70 109.138 -2.800 -13.190 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.630 -3.039 -14.879 1.00 0.00 H new ATOM 1105 N TYR A 71 108.350 -6.948 -14.274 1.00 0.00 N ATOM 1106 CA TYR A 71 107.640 -7.981 -15.015 1.00 0.00 C ATOM 1107 C TYR A 71 106.271 -8.218 -14.385 1.00 0.00 C ATOM 1108 O TYR A 71 106.032 -7.801 -13.251 1.00 0.00 O ATOM 1109 CB TYR A 71 108.464 -9.281 -15.056 1.00 0.00 C ATOM 1110 CG TYR A 71 108.804 -9.863 -13.700 1.00 0.00 C ATOM 1111 CD1 TYR A 71 107.916 -10.702 -13.036 1.00 0.00 C ATOM 1112 CD2 TYR A 71 110.020 -9.587 -13.091 1.00 0.00 C ATOM 1113 CE1 TYR A 71 108.230 -11.243 -11.806 1.00 0.00 C ATOM 1114 CE2 TYR A 71 110.340 -10.123 -11.858 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.442 -10.950 -11.221 1.00 0.00 C ATOM 1116 OH TYR A 71 109.760 -11.491 -9.995 1.00 0.00 O ATOM 0 H TYR A 71 108.549 -7.189 -13.303 1.00 0.00 H new ATOM 0 HA TYR A 71 107.496 -7.648 -16.043 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.911 -10.027 -15.627 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.391 -9.089 -15.596 1.00 0.00 H new ATOM 0 HD1 TYR A 71 106.964 -10.934 -13.491 1.00 0.00 H new ATOM 0 HD2 TYR A 71 110.729 -8.942 -13.589 1.00 0.00 H new ATOM 0 HE1 TYR A 71 107.529 -11.893 -11.304 1.00 0.00 H new ATOM 0 HE2 TYR A 71 111.289 -9.894 -11.397 1.00 0.00 H new ATOM 0 HH TYR A 71 109.031 -11.319 -9.363 1.00 0.00 H new ATOM 1126 N PRO A 72 105.343 -8.866 -15.109 1.00 0.00 N ATOM 1127 CA PRO A 72 104.015 -9.172 -14.579 1.00 0.00 C ATOM 1128 C PRO A 72 104.096 -10.081 -13.362 1.00 0.00 C ATOM 1129 O PRO A 72 104.817 -11.083 -13.376 1.00 0.00 O ATOM 1130 CB PRO A 72 103.308 -9.889 -15.735 1.00 0.00 C ATOM 1131 CG PRO A 72 104.090 -9.530 -16.951 1.00 0.00 C ATOM 1132 CD PRO A 72 105.505 -9.341 -16.491 1.00 0.00 C ATOM 0 HA PRO A 72 103.491 -8.275 -14.248 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.294 -10.968 -15.580 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.271 -9.566 -15.824 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.026 -10.317 -17.703 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.704 -8.619 -17.409 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.071 -10.271 -16.534 1.00 0.00 H new ATOM 0 HD3 PRO A 72 106.036 -8.616 -17.107 1.00 0.00 H new ATOM 1140 N ASP A 73 103.373 -9.712 -12.314 1.00 0.00 N ATOM 1141 CA ASP A 73 103.327 -10.495 -11.083 1.00 0.00 C ATOM 1142 C ASP A 73 102.906 -11.929 -11.399 1.00 0.00 C ATOM 1143 O ASP A 73 101.840 -12.151 -11.972 1.00 0.00 O ATOM 1144 CB ASP A 73 102.330 -9.855 -10.107 1.00 0.00 C ATOM 1145 CG ASP A 73 102.405 -10.432 -8.706 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.722 -11.626 -8.563 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.136 -9.692 -7.736 1.00 0.00 O ATOM 0 H ASP A 73 102.804 -8.866 -12.291 1.00 0.00 H new ATOM 0 HA ASP A 73 104.316 -10.511 -10.624 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.516 -8.782 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.319 -9.987 -10.493 1.00 0.00 H new ATOM 1152 N PRO A 74 103.744 -12.921 -11.044 1.00 0.00 N ATOM 1153 CA PRO A 74 103.444 -14.340 -11.284 1.00 0.00 C ATOM 1154 C PRO A 74 102.208 -14.800 -10.514 1.00 0.00 C ATOM 1155 O PRO A 74 101.649 -15.870 -10.772 1.00 0.00 O ATOM 1156 CB PRO A 74 104.695 -15.068 -10.780 1.00 0.00 C ATOM 1157 CG PRO A 74 105.350 -14.110 -9.844 1.00 0.00 C ATOM 1158 CD PRO A 74 105.044 -12.739 -10.378 1.00 0.00 C ATOM 0 HA PRO A 74 103.222 -14.539 -12.332 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.434 -15.997 -10.274 1.00 0.00 H new ATOM 0 HB3 PRO A 74 105.358 -15.330 -11.605 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.966 -14.229 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 74 106.426 -14.281 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.988 -11.999 -9.580 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.810 -12.398 -11.075 1.00 0.00 H new ATOM 1166 N THR A 75 101.796 -13.978 -9.568 1.00 0.00 N ATOM 1167 CA THR A 75 100.621 -14.235 -8.765 1.00 0.00 C ATOM 1168 C THR A 75 99.347 -13.893 -9.546 1.00 0.00 C ATOM 1169 O THR A 75 98.273 -14.434 -9.276 1.00 0.00 O ATOM 1170 CB THR A 75 100.707 -13.412 -7.465 1.00 0.00 C ATOM 1171 OG1 THR A 75 101.983 -13.637 -6.852 1.00 0.00 O ATOM 1172 CG2 THR A 75 99.618 -13.777 -6.478 1.00 0.00 C ATOM 0 H THR A 75 102.273 -13.107 -9.335 1.00 0.00 H new ATOM 0 HA THR A 75 100.579 -15.295 -8.514 1.00 0.00 H new ATOM 0 HB THR A 75 100.577 -12.363 -7.730 1.00 0.00 H new ATOM 0 HG1 THR A 75 102.329 -12.792 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 75 99.723 -13.169 -5.579 1.00 0.00 H new ATOM 0 HG22 THR A 75 98.642 -13.594 -6.928 1.00 0.00 H new ATOM 0 HG23 THR A 75 99.704 -14.831 -6.215 1.00 0.00 H new ATOM 1180 N ASP A 76 99.482 -13.031 -10.552 1.00 0.00 N ATOM 1181 CA ASP A 76 98.343 -12.639 -11.382 1.00 0.00 C ATOM 1182 C ASP A 76 98.510 -13.149 -12.814 1.00 0.00 C ATOM 1183 O ASP A 76 99.627 -13.334 -13.290 1.00 0.00 O ATOM 1184 CB ASP A 76 98.169 -11.116 -11.384 1.00 0.00 C ATOM 1185 CG ASP A 76 97.051 -10.671 -12.309 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.951 -11.254 -12.242 1.00 0.00 O ATOM 1187 OD2 ASP A 76 97.276 -9.751 -13.119 1.00 0.00 O ATOM 0 H ASP A 76 100.365 -12.592 -10.812 1.00 0.00 H new ATOM 0 HA ASP A 76 97.449 -13.092 -10.954 1.00 0.00 H new ATOM 0 HB2 ASP A 76 97.958 -10.774 -10.371 1.00 0.00 H new ATOM 0 HB3 ASP A 76 99.103 -10.645 -11.692 1.00 0.00 H new ATOM 1192 N ALA A 77 97.393 -13.397 -13.484 1.00 0.00 N ATOM 1193 CA ALA A 77 97.412 -13.934 -14.839 1.00 0.00 C ATOM 1194 C ALA A 77 97.399 -12.831 -15.892 1.00 0.00 C ATOM 1195 O ALA A 77 97.991 -12.976 -16.962 1.00 0.00 O ATOM 1196 CB ALA A 77 96.236 -14.871 -15.046 1.00 0.00 C ATOM 0 H ALA A 77 96.458 -13.234 -13.110 1.00 0.00 H new ATOM 0 HA ALA A 77 98.343 -14.488 -14.959 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.260 -15.266 -16.062 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.297 -15.694 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 77 95.305 -14.326 -14.891 1.00 0.00 H new ATOM 1202 N SER A 78 96.727 -11.730 -15.586 1.00 0.00 N ATOM 1203 CA SER A 78 96.528 -10.661 -16.557 1.00 0.00 C ATOM 1204 C SER A 78 97.753 -9.753 -16.644 1.00 0.00 C ATOM 1205 O SER A 78 98.204 -9.398 -17.739 1.00 0.00 O ATOM 1206 CB SER A 78 95.285 -9.843 -16.180 1.00 0.00 C ATOM 1207 OG SER A 78 95.078 -8.762 -17.076 1.00 0.00 O ATOM 0 H SER A 78 96.310 -11.553 -14.672 1.00 0.00 H new ATOM 0 HA SER A 78 96.380 -11.113 -17.538 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.408 -10.491 -16.182 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.395 -9.459 -15.166 1.00 0.00 H new ATOM 0 HG SER A 78 94.278 -8.263 -16.808 1.00 0.00 H new ATOM 1213 N GLY A 79 98.300 -9.403 -15.495 1.00 0.00 N ATOM 1214 CA GLY A 79 99.369 -8.432 -15.444 1.00 0.00 C ATOM 1215 C GLY A 79 98.898 -7.153 -14.791 1.00 0.00 C ATOM 1216 O GLY A 79 99.453 -6.076 -15.017 1.00 0.00 O ATOM 0 H GLY A 79 98.020 -9.777 -14.588 1.00 0.00 H new ATOM 0 HA2 GLY A 79 100.212 -8.841 -14.888 1.00 0.00 H new ATOM 0 HA3 GLY A 79 99.724 -8.222 -16.453 1.00 0.00 H new ATOM 1220 N LYS A 80 97.861 -7.286 -13.967 1.00 0.00 N ATOM 1221 CA LYS A 80 97.260 -6.153 -13.281 1.00 0.00 C ATOM 1222 C LYS A 80 98.158 -5.726 -12.130 1.00 0.00 C ATOM 1223 O LYS A 80 98.015 -4.639 -11.572 1.00 0.00 O ATOM 1224 CB LYS A 80 95.867 -6.532 -12.761 1.00 0.00 C ATOM 1225 CG LYS A 80 94.978 -5.347 -12.392 1.00 0.00 C ATOM 1226 CD LYS A 80 94.322 -4.712 -13.616 1.00 0.00 C ATOM 1227 CE LYS A 80 95.323 -3.972 -14.492 1.00 0.00 C ATOM 1228 NZ LYS A 80 94.701 -3.478 -15.748 1.00 0.00 N ATOM 0 H LYS A 80 97.418 -8.181 -13.759 1.00 0.00 H new ATOM 0 HA LYS A 80 97.153 -5.321 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.360 -7.126 -13.521 1.00 0.00 H new ATOM 0 HB3 LYS A 80 95.983 -7.169 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 80 94.205 -5.678 -11.699 1.00 0.00 H new ATOM 0 HG3 LYS A 80 95.573 -4.597 -11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 80 93.831 -5.487 -14.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 93.546 -4.019 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 80 95.739 -3.131 -13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 80 96.153 -4.635 -14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 95.415 -2.980 -16.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 94.327 -4.283 -16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 93.925 -2.825 -15.518 1.00 0.00 H new ATOM 1242 N PHE A 81 99.084 -6.607 -11.784 1.00 0.00 N ATOM 1243 CA PHE A 81 100.086 -6.322 -10.779 1.00 0.00 C ATOM 1244 C PHE A 81 101.464 -6.601 -11.360 1.00 0.00 C ATOM 1245 O PHE A 81 101.600 -7.388 -12.302 1.00 0.00 O ATOM 1246 CB PHE A 81 99.859 -7.173 -9.525 1.00 0.00 C ATOM 1247 CG PHE A 81 98.495 -6.997 -8.918 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.172 -5.840 -8.230 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.532 -7.988 -9.043 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.917 -5.673 -7.675 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.276 -7.826 -8.491 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.968 -6.668 -7.806 1.00 0.00 C ATOM 0 H PHE A 81 99.159 -7.538 -12.194 1.00 0.00 H new ATOM 0 HA PHE A 81 100.013 -5.274 -10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.002 -8.224 -9.778 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.614 -6.918 -8.781 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.910 -5.058 -8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.767 -8.896 -9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.679 -4.766 -7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.535 -8.605 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.987 -6.540 -7.373 1.00 0.00 H new ATOM 1262 N VAL A 82 102.479 -5.950 -10.821 1.00 0.00 N ATOM 1263 CA VAL A 82 103.838 -6.137 -11.302 1.00 0.00 C ATOM 1264 C VAL A 82 104.737 -6.622 -10.176 1.00 0.00 C ATOM 1265 O VAL A 82 104.435 -6.425 -9.001 1.00 0.00 O ATOM 1266 CB VAL A 82 104.425 -4.846 -11.915 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.688 -4.473 -13.191 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.374 -3.703 -10.917 1.00 0.00 C ATOM 0 H VAL A 82 102.389 -5.288 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 82 103.796 -6.890 -12.089 1.00 0.00 H new ATOM 0 HB VAL A 82 105.469 -5.035 -12.164 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.117 -3.561 -13.606 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.783 -5.281 -13.916 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.634 -4.309 -12.968 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.793 -2.805 -11.371 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.339 -3.516 -10.630 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.954 -3.966 -10.032 1.00 0.00 H new ATOM 1278 N CYS A 83 105.829 -7.259 -10.548 1.00 0.00 N ATOM 1279 CA CYS A 83 106.758 -7.812 -9.587 1.00 0.00 C ATOM 1280 C CYS A 83 108.182 -7.606 -10.078 1.00 0.00 C ATOM 1281 O CYS A 83 108.433 -7.572 -11.285 1.00 0.00 O ATOM 1282 CB CYS A 83 106.468 -9.305 -9.383 1.00 0.00 C ATOM 1283 SG CYS A 83 107.603 -10.150 -8.254 1.00 0.00 S ATOM 0 H CYS A 83 106.096 -7.407 -11.521 1.00 0.00 H new ATOM 0 HA CYS A 83 106.640 -7.303 -8.631 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.452 -9.415 -9.004 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.503 -9.803 -10.352 1.00 0.00 H new ATOM 0 HG CYS A 83 106.936 -10.980 -7.509 1.00 0.00 H new ATOM 1289 N VAL A 84 109.103 -7.438 -9.145 1.00 0.00 N ATOM 1290 CA VAL A 84 110.515 -7.297 -9.471 1.00 0.00 C ATOM 1291 C VAL A 84 111.356 -8.167 -8.549 1.00 0.00 C ATOM 1292 O VAL A 84 110.912 -8.543 -7.461 1.00 0.00 O ATOM 1293 CB VAL A 84 111.004 -5.834 -9.361 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.387 -4.972 -10.450 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.694 -5.265 -7.983 1.00 0.00 C ATOM 0 H VAL A 84 108.897 -7.395 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 84 110.631 -7.616 -10.507 1.00 0.00 H new ATOM 0 HB VAL A 84 112.085 -5.828 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.747 -3.948 -10.351 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.670 -5.363 -11.427 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.301 -4.986 -10.354 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.046 -4.235 -7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.618 -5.290 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.196 -5.862 -7.222 1.00 0.00 H new ATOM 1305 N ASP A 85 112.558 -8.501 -8.992 1.00 0.00 N ATOM 1306 CA ASP A 85 113.491 -9.250 -8.165 1.00 0.00 C ATOM 1307 C ASP A 85 114.483 -8.296 -7.526 1.00 0.00 C ATOM 1308 O ASP A 85 115.286 -7.663 -8.217 1.00 0.00 O ATOM 1309 CB ASP A 85 114.245 -10.309 -8.977 1.00 0.00 C ATOM 1310 CG ASP A 85 113.346 -11.412 -9.498 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.967 -12.305 -8.714 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.026 -11.399 -10.705 1.00 0.00 O ATOM 0 H ASP A 85 112.910 -8.265 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 85 112.917 -9.765 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.743 -9.827 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.025 -10.748 -8.355 1.00 0.00 H new ATOM 1317 N ILE A 86 114.403 -8.171 -6.214 1.00 0.00 N ATOM 1318 CA ILE A 86 115.306 -7.303 -5.477 1.00 0.00 C ATOM 1319 C ILE A 86 116.358 -8.136 -4.765 1.00 0.00 C ATOM 1320 O ILE A 86 116.102 -9.283 -4.405 1.00 0.00 O ATOM 1321 CB ILE A 86 114.553 -6.439 -4.441 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.800 -7.328 -3.443 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.595 -5.488 -5.145 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.110 -6.557 -2.335 1.00 0.00 C ATOM 0 H ILE A 86 113.721 -8.660 -5.635 1.00 0.00 H new ATOM 0 HA ILE A 86 115.780 -6.635 -6.197 1.00 0.00 H new ATOM 0 HB ILE A 86 115.281 -5.847 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.056 -7.914 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.501 -8.034 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.071 -4.885 -4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.156 -4.835 -5.813 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.871 -6.063 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.600 -7.254 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.851 -5.992 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.383 -5.870 -2.768 1.00 0.00 H new ATOM 1336 N LYS A 87 117.537 -7.570 -4.575 1.00 0.00 N ATOM 1337 CA LYS A 87 118.596 -8.272 -3.867 1.00 0.00 C ATOM 1338 C LYS A 87 119.251 -7.346 -2.854 1.00 0.00 C ATOM 1339 O LYS A 87 119.354 -6.134 -3.085 1.00 0.00 O ATOM 1340 CB LYS A 87 119.657 -8.801 -4.846 1.00 0.00 C ATOM 1341 CG LYS A 87 120.701 -7.766 -5.243 1.00 0.00 C ATOM 1342 CD LYS A 87 121.737 -8.339 -6.193 1.00 0.00 C ATOM 1343 CE LYS A 87 122.979 -7.458 -6.263 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.645 -6.025 -6.482 1.00 0.00 N ATOM 0 H LYS A 87 117.785 -6.635 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 87 118.150 -9.120 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.160 -9.656 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.159 -9.164 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.208 -6.916 -5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 87 121.198 -7.391 -4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.018 -9.340 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 87 121.304 -8.439 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.546 -7.559 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 87 123.623 -7.806 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.512 -5.453 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.218 -5.908 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 121.971 -5.711 -5.755 1.00 0.00 H new ATOM 1358 N ALA A 88 119.665 -7.907 -1.726 1.00 0.00 N ATOM 1359 CA ALA A 88 120.476 -7.175 -0.770 1.00 0.00 C ATOM 1360 C ALA A 88 121.821 -6.834 -1.396 1.00 0.00 C ATOM 1361 O ALA A 88 122.713 -7.678 -1.472 1.00 0.00 O ATOM 1362 CB ALA A 88 120.668 -7.989 0.501 1.00 0.00 C ATOM 0 H ALA A 88 119.451 -8.866 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 88 119.964 -6.250 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.278 -7.424 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.697 -8.199 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.167 -8.928 0.260 1.00 0.00 H new ATOM 1368 N ASP A 89 121.952 -5.607 -1.877 1.00 0.00 N ATOM 1369 CA ASP A 89 123.157 -5.199 -2.587 1.00 0.00 C ATOM 1370 C ASP A 89 124.254 -4.828 -1.605 1.00 0.00 C ATOM 1371 O ASP A 89 125.358 -5.377 -1.650 1.00 0.00 O ATOM 1372 CB ASP A 89 122.869 -4.018 -3.515 1.00 0.00 C ATOM 1373 CG ASP A 89 124.080 -3.637 -4.344 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.885 -2.804 -3.885 1.00 0.00 O ATOM 1375 OD2 ASP A 89 124.237 -4.185 -5.454 1.00 0.00 O ATOM 0 H ASP A 89 121.243 -4.879 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 89 123.492 -6.042 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.041 -4.271 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.551 -3.160 -2.922 1.00 0.00 H new ATOM 1380 N LYS A 90 123.944 -3.893 -0.722 1.00 0.00 N ATOM 1381 CA LYS A 90 124.883 -3.464 0.298 1.00 0.00 C ATOM 1382 C LYS A 90 124.128 -2.969 1.525 1.00 0.00 C ATOM 1383 O LYS A 90 123.171 -2.205 1.409 1.00 0.00 O ATOM 1384 CB LYS A 90 125.812 -2.363 -0.239 1.00 0.00 C ATOM 1385 CG LYS A 90 125.095 -1.071 -0.614 1.00 0.00 C ATOM 1386 CD LYS A 90 126.072 0.012 -1.053 1.00 0.00 C ATOM 1387 CE LYS A 90 126.324 -0.007 -2.555 1.00 0.00 C ATOM 1388 NZ LYS A 90 126.838 -1.314 -3.035 1.00 0.00 N ATOM 0 H LYS A 90 123.043 -3.415 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 90 125.499 -4.317 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.568 -2.141 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.338 -2.742 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 90 124.387 -1.269 -1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 90 124.517 -0.715 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 90 125.681 0.988 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 90 127.017 -0.121 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 90 125.397 0.228 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 90 127.040 0.775 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 127.228 -1.203 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 127.584 -1.650 -2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 126.062 -2.006 -3.056 1.00 0.00 H new ATOM 1402 N PRO A 91 124.514 -3.432 2.714 1.00 0.00 N ATOM 1403 CA PRO A 91 123.916 -2.974 3.956 1.00 0.00 C ATOM 1404 C PRO A 91 124.627 -1.748 4.518 1.00 0.00 C ATOM 1405 O PRO A 91 125.770 -1.456 4.153 1.00 0.00 O ATOM 1406 CB PRO A 91 124.098 -4.178 4.873 1.00 0.00 C ATOM 1407 CG PRO A 91 125.365 -4.825 4.409 1.00 0.00 C ATOM 1408 CD PRO A 91 125.542 -4.460 2.950 1.00 0.00 C ATOM 0 HA PRO A 91 122.879 -2.661 3.836 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.169 -3.873 5.917 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.254 -4.863 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 91 126.213 -4.478 4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 91 125.313 -5.907 4.532 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.543 -4.076 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.399 -5.324 2.302 1.00 0.00 H new ATOM 1416 N LEU A 92 123.948 -1.031 5.397 1.00 0.00 N ATOM 1417 CA LEU A 92 124.539 0.129 6.040 1.00 0.00 C ATOM 1418 C LEU A 92 125.426 -0.315 7.192 1.00 0.00 C ATOM 1419 O LEU A 92 125.319 -1.448 7.665 1.00 0.00 O ATOM 1420 CB LEU A 92 123.449 1.082 6.539 1.00 0.00 C ATOM 1421 CG LEU A 92 122.594 1.722 5.443 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.592 2.685 6.052 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.470 2.441 4.428 1.00 0.00 C ATOM 0 H LEU A 92 122.989 -1.231 5.681 1.00 0.00 H new ATOM 0 HA LEU A 92 125.148 0.663 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.793 0.536 7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.920 1.875 7.120 1.00 0.00 H new ATOM 0 HG LEU A 92 122.050 0.931 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.991 3.133 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.942 2.146 6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 92 122.123 3.469 6.592 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.842 2.889 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 92 124.042 3.222 4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.155 1.728 3.969 1.00 0.00 H new ATOM 1435 N LYS A 93 126.309 0.564 7.636 1.00 0.00 N ATOM 1436 CA LYS A 93 127.219 0.230 8.719 1.00 0.00 C ATOM 1437 C LYS A 93 126.533 0.474 10.058 1.00 0.00 C ATOM 1438 O LYS A 93 126.855 -0.157 11.066 1.00 0.00 O ATOM 1439 CB LYS A 93 128.502 1.057 8.611 1.00 0.00 C ATOM 1440 CG LYS A 93 129.686 0.431 9.326 1.00 0.00 C ATOM 1441 CD LYS A 93 130.933 1.292 9.217 1.00 0.00 C ATOM 1442 CE LYS A 93 132.157 0.572 9.761 1.00 0.00 C ATOM 1443 NZ LYS A 93 131.970 0.129 11.169 1.00 0.00 N ATOM 0 H LYS A 93 126.415 1.509 7.266 1.00 0.00 H new ATOM 0 HA LYS A 93 127.488 -0.824 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.752 1.190 7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.321 2.050 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.438 0.282 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.886 -0.553 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 93 131.101 1.560 8.174 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.783 2.222 9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 93 132.375 -0.294 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 93 133.021 1.233 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 132.867 -0.249 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 131.672 0.938 11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 131.241 -0.612 11.206 1.00 0.00 H new ATOM 1457 N THR A 94 125.598 1.408 10.058 1.00 0.00 N ATOM 1458 CA THR A 94 124.776 1.694 11.219 1.00 0.00 C ATOM 1459 C THR A 94 123.328 1.912 10.784 1.00 0.00 C ATOM 1460 O THR A 94 123.042 2.835 10.017 1.00 0.00 O ATOM 1461 CB THR A 94 125.288 2.944 11.963 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.693 2.815 12.222 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.546 3.146 13.277 1.00 0.00 C ATOM 0 H THR A 94 125.387 1.992 9.248 1.00 0.00 H new ATOM 0 HA THR A 94 124.832 0.843 11.897 1.00 0.00 H new ATOM 0 HB THR A 94 125.107 3.812 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 94 127.013 3.612 12.693 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.929 4.035 13.778 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.482 3.272 13.078 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.695 2.276 13.917 1.00 0.00 H new ATOM 1471 N PRO A 95 122.403 1.049 11.235 1.00 0.00 N ATOM 1472 CA PRO A 95 120.982 1.147 10.882 1.00 0.00 C ATOM 1473 C PRO A 95 120.378 2.497 11.260 1.00 0.00 C ATOM 1474 O PRO A 95 120.471 2.935 12.409 1.00 0.00 O ATOM 1475 CB PRO A 95 120.329 0.022 11.689 1.00 0.00 C ATOM 1476 CG PRO A 95 121.434 -0.936 11.968 1.00 0.00 C ATOM 1477 CD PRO A 95 122.669 -0.096 12.125 1.00 0.00 C ATOM 0 HA PRO A 95 120.827 1.059 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.891 0.400 12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.526 -0.454 11.126 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.234 -1.512 12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.548 -1.651 11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.814 0.220 13.158 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.567 -0.638 11.829 1.00 0.00 H new ATOM 1485 N VAL A 96 119.758 3.145 10.285 1.00 0.00 N ATOM 1486 CA VAL A 96 119.179 4.465 10.485 1.00 0.00 C ATOM 1487 C VAL A 96 117.726 4.349 10.921 1.00 0.00 C ATOM 1488 O VAL A 96 116.845 4.079 10.107 1.00 0.00 O ATOM 1489 CB VAL A 96 119.256 5.315 9.198 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.678 6.703 9.424 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.690 5.412 8.705 1.00 0.00 C ATOM 0 H VAL A 96 119.643 2.775 9.341 1.00 0.00 H new ATOM 0 HA VAL A 96 119.758 4.959 11.266 1.00 0.00 H new ATOM 0 HB VAL A 96 118.658 4.819 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.745 7.280 8.502 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.633 6.618 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.241 7.208 10.209 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.723 6.015 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.308 5.878 9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.069 4.413 8.491 1.00 0.00 H new ATOM 1501 N THR A 97 117.482 4.536 12.206 1.00 0.00 N ATOM 1502 CA THR A 97 116.137 4.440 12.751 1.00 0.00 C ATOM 1503 C THR A 97 115.284 5.632 12.323 1.00 0.00 C ATOM 1504 O THR A 97 115.809 6.640 11.840 1.00 0.00 O ATOM 1505 CB THR A 97 116.174 4.360 14.288 1.00 0.00 C ATOM 1506 OG1 THR A 97 117.007 5.405 14.812 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.698 3.008 14.751 1.00 0.00 C ATOM 0 H THR A 97 118.201 4.756 12.895 1.00 0.00 H new ATOM 0 HA THR A 97 115.689 3.528 12.357 1.00 0.00 H new ATOM 0 HB THR A 97 115.157 4.482 14.660 1.00 0.00 H new ATOM 0 HG1 THR A 97 117.025 5.350 15.790 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.714 2.978 15.840 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.048 2.218 14.376 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.708 2.859 14.369 1.00 0.00 H new ATOM 1515 N LEU A 98 113.973 5.512 12.498 1.00 0.00 N ATOM 1516 CA LEU A 98 113.055 6.598 12.176 1.00 0.00 C ATOM 1517 C LEU A 98 113.410 7.840 12.988 1.00 0.00 C ATOM 1518 O LEU A 98 113.336 8.964 12.492 1.00 0.00 O ATOM 1519 CB LEU A 98 111.609 6.175 12.454 1.00 0.00 C ATOM 1520 CG LEU A 98 110.545 7.219 12.107 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.549 7.515 10.615 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.171 6.746 12.557 1.00 0.00 C ATOM 0 H LEU A 98 113.522 4.673 12.861 1.00 0.00 H new ATOM 0 HA LEU A 98 113.148 6.833 11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.399 5.265 11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.518 5.924 13.511 1.00 0.00 H new ATOM 0 HG LEU A 98 110.782 8.142 12.637 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.785 8.259 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.527 7.898 10.323 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.338 6.600 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.426 7.500 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.926 5.810 12.055 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.175 6.589 13.636 1.00 0.00 H new ATOM 1534 N ALA A 99 113.823 7.625 14.233 1.00 0.00 N ATOM 1535 CA ALA A 99 114.239 8.714 15.107 1.00 0.00 C ATOM 1536 C ALA A 99 115.447 9.448 14.531 1.00 0.00 C ATOM 1537 O ALA A 99 115.584 10.659 14.697 1.00 0.00 O ATOM 1538 CB ALA A 99 114.556 8.185 16.495 1.00 0.00 C ATOM 0 H ALA A 99 113.878 6.700 14.660 1.00 0.00 H new ATOM 0 HA ALA A 99 113.415 9.423 15.180 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.865 9.010 17.137 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.669 7.711 16.915 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.362 7.454 16.430 1.00 0.00 H new ATOM 1544 N ALA A 100 116.315 8.710 13.849 1.00 0.00 N ATOM 1545 CA ALA A 100 117.487 9.301 13.214 1.00 0.00 C ATOM 1546 C ALA A 100 117.072 10.150 12.018 1.00 0.00 C ATOM 1547 O ALA A 100 117.657 11.197 11.754 1.00 0.00 O ATOM 1548 CB ALA A 100 118.477 8.222 12.792 1.00 0.00 C ATOM 0 H ALA A 100 116.229 7.702 13.722 1.00 0.00 H new ATOM 0 HA ALA A 100 117.982 9.946 13.940 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.343 8.687 12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.799 7.661 13.669 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.998 7.546 12.084 1.00 0.00 H new ATOM 1554 N VAL A 101 116.046 9.698 11.306 1.00 0.00 N ATOM 1555 CA VAL A 101 115.482 10.462 10.199 1.00 0.00 C ATOM 1556 C VAL A 101 114.883 11.768 10.721 1.00 0.00 C ATOM 1557 O VAL A 101 114.985 12.818 10.088 1.00 0.00 O ATOM 1558 CB VAL A 101 114.392 9.656 9.458 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.825 10.446 8.288 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.949 8.322 8.981 1.00 0.00 C ATOM 0 H VAL A 101 115.586 8.803 11.476 1.00 0.00 H new ATOM 0 HA VAL A 101 116.287 10.678 9.496 1.00 0.00 H new ATOM 0 HB VAL A 101 113.579 9.465 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.060 9.854 7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.384 11.373 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.624 10.678 7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.168 7.767 8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.783 8.498 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.295 7.745 9.838 1.00 0.00 H new ATOM 1570 N LYS A 102 114.295 11.689 11.907 1.00 0.00 N ATOM 1571 CA LYS A 102 113.677 12.842 12.552 1.00 0.00 C ATOM 1572 C LYS A 102 114.731 13.781 13.146 1.00 0.00 C ATOM 1573 O LYS A 102 114.397 14.830 13.698 1.00 0.00 O ATOM 1574 CB LYS A 102 112.724 12.368 13.655 1.00 0.00 C ATOM 1575 CG LYS A 102 111.603 11.468 13.152 1.00 0.00 C ATOM 1576 CD LYS A 102 110.881 10.750 14.291 1.00 0.00 C ATOM 1577 CE LYS A 102 109.914 11.658 15.048 1.00 0.00 C ATOM 1578 NZ LYS A 102 110.609 12.713 15.836 1.00 0.00 N ATOM 0 H LYS A 102 114.232 10.827 12.449 1.00 0.00 H new ATOM 0 HA LYS A 102 113.120 13.395 11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.297 11.831 14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.287 13.239 14.144 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.886 12.065 12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 102 112.014 10.730 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.332 9.899 13.887 1.00 0.00 H new ATOM 0 HD3 LYS A 102 111.618 10.352 14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.235 12.130 14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 102 109.304 11.053 15.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 110.113 12.856 16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 111.589 12.418 16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 110.612 13.603 15.298 1.00 0.00 H new ATOM 1592 N ALA A 103 115.999 13.402 13.038 1.00 0.00 N ATOM 1593 CA ALA A 103 117.087 14.213 13.575 1.00 0.00 C ATOM 1594 C ALA A 103 117.631 15.169 12.518 1.00 0.00 C ATOM 1595 O ALA A 103 118.415 16.069 12.822 1.00 0.00 O ATOM 1596 CB ALA A 103 118.202 13.322 14.105 1.00 0.00 C ATOM 0 H ALA A 103 116.300 12.539 12.584 1.00 0.00 H new ATOM 0 HA ALA A 103 116.690 14.807 14.398 1.00 0.00 H new ATOM 0 HB1 ALA A 103 119.006 13.942 14.502 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.812 12.683 14.897 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.588 12.702 13.296 1.00 0.00 H new ATOM 1602 N GLU A 104 117.198 14.981 11.282 1.00 0.00 N ATOM 1603 CA GLU A 104 117.677 15.794 10.176 1.00 0.00 C ATOM 1604 C GLU A 104 116.517 16.523 9.500 1.00 0.00 C ATOM 1605 O GLU A 104 115.670 15.902 8.858 1.00 0.00 O ATOM 1606 CB GLU A 104 118.433 14.915 9.171 1.00 0.00 C ATOM 1607 CG GLU A 104 118.924 15.652 7.932 1.00 0.00 C ATOM 1608 CD GLU A 104 119.780 16.859 8.255 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.966 16.681 8.603 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.271 17.994 8.144 1.00 0.00 O ATOM 0 H GLU A 104 116.514 14.271 11.019 1.00 0.00 H new ATOM 0 HA GLU A 104 118.363 16.547 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.289 14.464 9.673 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.781 14.099 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.498 14.964 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 104 118.064 15.972 7.343 1.00 0.00 H new ATOM 1617 N PRO A 105 116.458 17.857 9.655 1.00 0.00 N ATOM 1618 CA PRO A 105 115.427 18.697 9.027 1.00 0.00 C ATOM 1619 C PRO A 105 115.408 18.579 7.501 1.00 0.00 C ATOM 1620 O PRO A 105 114.409 18.906 6.862 1.00 0.00 O ATOM 1621 CB PRO A 105 115.810 20.118 9.449 1.00 0.00 C ATOM 1622 CG PRO A 105 116.634 19.940 10.676 1.00 0.00 C ATOM 1623 CD PRO A 105 117.380 18.652 10.482 1.00 0.00 C ATOM 0 HA PRO A 105 114.427 18.399 9.341 1.00 0.00 H new ATOM 0 HB2 PRO A 105 116.372 20.626 8.665 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.926 20.723 9.650 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.322 20.775 10.810 1.00 0.00 H new ATOM 0 HG3 PRO A 105 116.006 19.899 11.566 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.336 18.810 9.982 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.594 18.163 11.432 1.00 0.00 H new ATOM 1631 N ARG A 106 116.510 18.115 6.920 1.00 0.00 N ATOM 1632 CA ARG A 106 116.567 17.877 5.477 1.00 0.00 C ATOM 1633 C ARG A 106 115.620 16.751 5.074 1.00 0.00 C ATOM 1634 O ARG A 106 115.165 16.685 3.934 1.00 0.00 O ATOM 1635 CB ARG A 106 117.988 17.524 5.038 1.00 0.00 C ATOM 1636 CG ARG A 106 118.939 18.705 4.988 1.00 0.00 C ATOM 1637 CD ARG A 106 120.310 18.285 4.484 1.00 0.00 C ATOM 1638 NE ARG A 106 120.228 17.595 3.193 1.00 0.00 N ATOM 1639 CZ ARG A 106 121.261 17.421 2.368 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.473 17.842 2.703 1.00 0.00 N ATOM 1641 NH2 ARG A 106 121.085 16.807 1.209 1.00 0.00 N ATOM 0 H ARG A 106 117.372 17.897 7.420 1.00 0.00 H new ATOM 0 HA ARG A 106 116.259 18.797 4.981 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.391 16.777 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.947 17.064 4.051 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.530 19.477 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 106 119.032 19.143 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.946 19.165 4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.782 17.630 5.217 1.00 0.00 H new ATOM 0 HE ARG A 106 119.322 17.224 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 106 122.622 18.304 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.256 17.703 2.064 1.00 0.00 H new ATOM 0 HH21 ARG A 106 120.160 16.467 0.947 1.00 0.00 H new ATOM 0 HH22 ARG A 106 121.875 16.674 0.577 1.00 0.00 H new ATOM 1655 N LEU A 107 115.318 15.874 6.020 1.00 0.00 N ATOM 1656 CA LEU A 107 114.473 14.722 5.751 1.00 0.00 C ATOM 1657 C LEU A 107 113.055 14.959 6.265 1.00 0.00 C ATOM 1658 O LEU A 107 112.221 14.053 6.262 1.00 0.00 O ATOM 1659 CB LEU A 107 115.071 13.476 6.411 1.00 0.00 C ATOM 1660 CG LEU A 107 116.532 13.178 6.053 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.035 11.982 6.846 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.688 12.930 4.557 1.00 0.00 C ATOM 0 H LEU A 107 115.647 15.939 6.983 1.00 0.00 H new ATOM 0 HA LEU A 107 114.424 14.570 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 107 114.995 13.587 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.464 12.613 6.136 1.00 0.00 H new ATOM 0 HG LEU A 107 117.132 14.050 6.314 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.073 11.781 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 107 116.967 12.198 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.426 11.109 6.613 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.733 12.721 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.076 12.077 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.367 13.814 4.006 1.00 0.00 H new ATOM 1674 N ALA A 108 112.779 16.189 6.686 1.00 0.00 N ATOM 1675 CA ALA A 108 111.478 16.530 7.255 1.00 0.00 C ATOM 1676 C ALA A 108 110.384 16.541 6.189 1.00 0.00 C ATOM 1677 O ALA A 108 109.258 16.115 6.439 1.00 0.00 O ATOM 1678 CB ALA A 108 111.544 17.877 7.958 1.00 0.00 C ATOM 0 H ALA A 108 113.438 16.967 6.644 1.00 0.00 H new ATOM 0 HA ALA A 108 111.224 15.761 7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.567 18.117 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.281 17.833 8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.831 18.647 7.242 1.00 0.00 H new ATOM 1684 N ASP A 109 110.722 17.014 4.996 1.00 0.00 N ATOM 1685 CA ASP A 109 109.752 17.103 3.909 1.00 0.00 C ATOM 1686 C ASP A 109 109.757 15.820 3.084 1.00 0.00 C ATOM 1687 O ASP A 109 109.136 15.744 2.022 1.00 0.00 O ATOM 1688 CB ASP A 109 110.043 18.314 3.014 1.00 0.00 C ATOM 1689 CG ASP A 109 111.335 18.182 2.232 1.00 0.00 C ATOM 1690 OD1 ASP A 109 112.415 18.166 2.855 1.00 0.00 O ATOM 1691 OD2 ASP A 109 111.278 18.111 0.986 1.00 0.00 O ATOM 0 H ASP A 109 111.658 17.341 4.756 1.00 0.00 H new ATOM 0 HA ASP A 109 108.762 17.233 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 109 109.216 18.449 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 109 110.090 19.211 3.631 1.00 0.00 H new ATOM 1696 N MET A 110 110.448 14.808 3.594 1.00 0.00 N ATOM 1697 CA MET A 110 110.511 13.511 2.939 1.00 0.00 C ATOM 1698 C MET A 110 109.207 12.751 3.165 1.00 0.00 C ATOM 1699 O MET A 110 108.590 12.860 4.226 1.00 0.00 O ATOM 1700 CB MET A 110 111.700 12.705 3.475 1.00 0.00 C ATOM 1701 CG MET A 110 111.935 11.387 2.754 1.00 0.00 C ATOM 1702 SD MET A 110 113.320 10.464 3.445 1.00 0.00 S ATOM 1703 CE MET A 110 113.388 9.063 2.332 1.00 0.00 C ATOM 0 H MET A 110 110.975 14.863 4.465 1.00 0.00 H new ATOM 0 HA MET A 110 110.649 13.660 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 110 112.601 13.314 3.399 1.00 0.00 H new ATOM 0 HB3 MET A 110 111.540 12.503 4.534 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.032 10.779 2.811 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.122 11.582 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 110 113.436 8.141 2.911 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.496 9.052 1.706 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.273 9.142 1.701 1.00 0.00 H new ATOM 1713 N ALA A 111 108.800 11.977 2.164 1.00 0.00 N ATOM 1714 CA ALA A 111 107.534 11.245 2.211 1.00 0.00 C ATOM 1715 C ALA A 111 107.476 10.265 3.383 1.00 0.00 C ATOM 1716 O ALA A 111 106.392 9.910 3.840 1.00 0.00 O ATOM 1717 CB ALA A 111 107.306 10.510 0.898 1.00 0.00 C ATOM 0 H ALA A 111 109.331 11.838 1.304 1.00 0.00 H new ATOM 0 HA ALA A 111 106.740 11.976 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 111 106.361 9.968 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 111 107.273 11.229 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.120 9.805 0.729 1.00 0.00 H new ATOM 1723 N LEU A 112 108.642 9.852 3.875 1.00 0.00 N ATOM 1724 CA LEU A 112 108.726 8.874 4.960 1.00 0.00 C ATOM 1725 C LEU A 112 108.028 9.380 6.223 1.00 0.00 C ATOM 1726 O LEU A 112 107.375 8.613 6.931 1.00 0.00 O ATOM 1727 CB LEU A 112 110.194 8.552 5.263 1.00 0.00 C ATOM 1728 CG LEU A 112 110.423 7.499 6.353 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.814 6.168 5.948 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.908 7.338 6.639 1.00 0.00 C ATOM 0 H LEU A 112 109.547 10.181 3.538 1.00 0.00 H new ATOM 0 HA LEU A 112 108.216 7.967 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.671 8.210 4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.697 9.473 5.559 1.00 0.00 H new ATOM 0 HG LEU A 112 109.931 7.840 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.987 5.434 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.742 6.290 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.275 5.823 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.050 6.586 7.415 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.421 7.023 5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.319 8.290 6.976 1.00 0.00 H new ATOM 1742 N MET A 113 108.153 10.675 6.479 1.00 0.00 N ATOM 1743 CA MET A 113 107.603 11.285 7.686 1.00 0.00 C ATOM 1744 C MET A 113 106.131 11.641 7.512 1.00 0.00 C ATOM 1745 O MET A 113 105.437 11.950 8.485 1.00 0.00 O ATOM 1746 CB MET A 113 108.395 12.545 8.048 1.00 0.00 C ATOM 1747 CG MET A 113 109.769 12.260 8.627 1.00 0.00 C ATOM 1748 SD MET A 113 109.683 11.389 10.205 1.00 0.00 S ATOM 1749 CE MET A 113 108.725 12.551 11.175 1.00 0.00 C ATOM 0 H MET A 113 108.634 11.330 5.862 1.00 0.00 H new ATOM 0 HA MET A 113 107.685 10.555 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 113 108.508 13.161 7.156 1.00 0.00 H new ATOM 0 HB3 MET A 113 107.822 13.129 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.343 11.664 7.917 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.305 13.199 8.762 1.00 0.00 H new ATOM 0 HE1 MET A 113 108.764 12.266 12.226 1.00 0.00 H new ATOM 0 HE2 MET A 113 109.138 13.553 11.055 1.00 0.00 H new ATOM 0 HE3 MET A 113 107.690 12.542 10.835 1.00 0.00 H new ATOM 1759 N LYS A 114 105.652 11.587 6.275 1.00 0.00 N ATOM 1760 CA LYS A 114 104.311 12.067 5.962 1.00 0.00 C ATOM 1761 C LYS A 114 103.383 10.932 5.539 1.00 0.00 C ATOM 1762 O LYS A 114 102.318 10.737 6.129 1.00 0.00 O ATOM 1763 CB LYS A 114 104.376 13.139 4.871 1.00 0.00 C ATOM 1764 CG LYS A 114 105.214 14.347 5.264 1.00 0.00 C ATOM 1765 CD LYS A 114 105.228 15.402 4.174 1.00 0.00 C ATOM 1766 CE LYS A 114 105.996 16.643 4.608 1.00 0.00 C ATOM 1767 NZ LYS A 114 105.353 17.325 5.764 1.00 0.00 N ATOM 0 H LYS A 114 106.168 11.218 5.476 1.00 0.00 H new ATOM 0 HA LYS A 114 103.896 12.504 6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 114 104.789 12.699 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 114 103.364 13.469 4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 114 104.819 14.780 6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.235 14.028 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 114 105.681 14.989 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 114 104.204 15.677 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 114 107.015 16.363 4.874 1.00 0.00 H new ATOM 0 HE3 LYS A 114 106.065 17.337 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 105.760 18.276 5.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 104.330 17.404 5.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 105.520 16.773 6.629 1.00 0.00 H new ATOM 1781 N TYR A 115 103.785 10.179 4.527 1.00 0.00 N ATOM 1782 CA TYR A 115 102.951 9.110 4.001 1.00 0.00 C ATOM 1783 C TYR A 115 103.320 7.779 4.639 1.00 0.00 C ATOM 1784 O TYR A 115 104.249 7.097 4.204 1.00 0.00 O ATOM 1785 CB TYR A 115 103.073 9.025 2.479 1.00 0.00 C ATOM 1786 CG TYR A 115 102.581 10.265 1.765 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.226 10.565 1.714 1.00 0.00 C ATOM 1788 CD2 TYR A 115 103.469 11.136 1.145 1.00 0.00 C ATOM 1789 CE1 TYR A 115 100.769 11.697 1.067 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.020 12.270 0.495 1.00 0.00 C ATOM 1791 CZ TYR A 115 101.669 12.546 0.459 1.00 0.00 C ATOM 1792 OH TYR A 115 101.216 13.674 -0.186 1.00 0.00 O ATOM 0 H TYR A 115 104.682 10.288 4.054 1.00 0.00 H new ATOM 0 HA TYR A 115 101.914 9.336 4.249 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.116 8.853 2.215 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.508 8.163 2.125 1.00 0.00 H new ATOM 0 HD1 TYR A 115 100.517 9.902 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 115 104.527 10.923 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 115 99.712 11.916 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 115 103.723 12.937 0.018 1.00 0.00 H new ATOM 0 HH TYR A 115 101.977 14.165 -0.560 1.00 0.00 H new ATOM 1802 N SER A 116 102.586 7.426 5.680 1.00 0.00 N ATOM 1803 CA SER A 116 102.854 6.225 6.450 1.00 0.00 C ATOM 1804 C SER A 116 102.668 4.958 5.611 1.00 0.00 C ATOM 1805 O SER A 116 103.558 4.106 5.557 1.00 0.00 O ATOM 1806 CB SER A 116 101.918 6.199 7.654 1.00 0.00 C ATOM 1807 OG SER A 116 101.668 7.519 8.109 1.00 0.00 O ATOM 0 H SER A 116 101.787 7.965 6.015 1.00 0.00 H new ATOM 0 HA SER A 116 103.894 6.245 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 116 100.979 5.716 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 116 102.361 5.608 8.456 1.00 0.00 H new ATOM 0 HG SER A 116 101.065 7.490 8.881 1.00 0.00 H new ATOM 1813 N ARG A 117 101.527 4.858 4.931 1.00 0.00 N ATOM 1814 CA ARG A 117 101.162 3.633 4.217 1.00 0.00 C ATOM 1815 C ARG A 117 101.876 3.515 2.872 1.00 0.00 C ATOM 1816 O ARG A 117 101.876 2.449 2.255 1.00 0.00 O ATOM 1817 CB ARG A 117 99.648 3.566 4.004 1.00 0.00 C ATOM 1818 CG ARG A 117 98.848 3.560 5.296 1.00 0.00 C ATOM 1819 CD ARG A 117 97.370 3.339 5.029 1.00 0.00 C ATOM 1820 NE ARG A 117 96.570 3.430 6.248 1.00 0.00 N ATOM 1821 CZ ARG A 117 95.500 2.678 6.496 1.00 0.00 C ATOM 1822 NH1 ARG A 117 95.147 1.716 5.652 1.00 0.00 N ATOM 1823 NH2 ARG A 117 94.801 2.874 7.604 1.00 0.00 N ATOM 0 H ARG A 117 100.840 5.608 4.859 1.00 0.00 H new ATOM 0 HA ARG A 117 101.481 2.796 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.337 4.418 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 117 99.410 2.667 3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.222 2.776 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.988 4.507 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.018 4.078 4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.227 2.358 4.575 1.00 0.00 H new ATOM 0 HE ARG A 117 96.849 4.112 6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.697 1.550 4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.326 1.143 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 117 95.083 3.599 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 117 93.980 2.300 7.798 1.00 0.00 H new ATOM 1837 N LEU A 118 102.482 4.600 2.411 1.00 0.00 N ATOM 1838 CA LEU A 118 103.214 4.567 1.155 1.00 0.00 C ATOM 1839 C LEU A 118 104.532 3.831 1.348 1.00 0.00 C ATOM 1840 O LEU A 118 105.469 4.365 1.940 1.00 0.00 O ATOM 1841 CB LEU A 118 103.473 5.980 0.628 1.00 0.00 C ATOM 1842 CG LEU A 118 104.140 6.049 -0.750 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.248 5.427 -1.813 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.468 7.487 -1.108 1.00 0.00 C ATOM 0 H LEU A 118 102.481 5.504 2.883 1.00 0.00 H new ATOM 0 HA LEU A 118 102.608 4.040 0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.523 6.513 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.101 6.509 1.345 1.00 0.00 H new ATOM 0 HG LEU A 118 105.069 5.480 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.742 5.487 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.061 4.382 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.301 5.965 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 118 104.941 7.519 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.551 8.075 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.148 7.901 -0.364 1.00 0.00 H new ATOM 1856 N SER A 119 104.577 2.591 0.885 1.00 0.00 N ATOM 1857 CA SER A 119 105.767 1.768 1.022 1.00 0.00 C ATOM 1858 C SER A 119 106.848 2.223 0.048 1.00 0.00 C ATOM 1859 O SER A 119 107.952 2.576 0.459 1.00 0.00 O ATOM 1860 CB SER A 119 105.421 0.291 0.788 1.00 0.00 C ATOM 1861 OG SER A 119 106.550 -0.546 0.990 1.00 0.00 O ATOM 0 H SER A 119 103.800 2.132 0.410 1.00 0.00 H new ATOM 0 HA SER A 119 106.151 1.880 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.620 -0.008 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 119 105.047 0.160 -0.227 1.00 0.00 H new ATOM 0 HG SER A 119 107.159 -0.463 0.227 1.00 0.00 H new ATOM 1867 N VAL A 120 106.511 2.245 -1.237 1.00 0.00 N ATOM 1868 CA VAL A 120 107.474 2.588 -2.275 1.00 0.00 C ATOM 1869 C VAL A 120 107.543 4.099 -2.465 1.00 0.00 C ATOM 1870 O VAL A 120 106.636 4.710 -3.038 1.00 0.00 O ATOM 1871 CB VAL A 120 107.122 1.914 -3.619 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.155 2.258 -4.680 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.015 0.406 -3.449 1.00 0.00 C ATOM 0 H VAL A 120 105.577 2.029 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 120 108.447 2.220 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 120 106.154 2.294 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.888 1.773 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.182 3.338 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.137 1.910 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.766 -0.051 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.967 0.011 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.235 0.176 -2.724 1.00 0.00 H new ATOM 1883 N GLN A 121 108.619 4.688 -1.973 1.00 0.00 N ATOM 1884 CA GLN A 121 108.784 6.134 -1.993 1.00 0.00 C ATOM 1885 C GLN A 121 110.015 6.520 -2.808 1.00 0.00 C ATOM 1886 O GLN A 121 110.992 5.779 -2.845 1.00 0.00 O ATOM 1887 CB GLN A 121 108.935 6.647 -0.563 1.00 0.00 C ATOM 1888 CG GLN A 121 107.902 6.081 0.395 1.00 0.00 C ATOM 1889 CD GLN A 121 108.266 6.321 1.841 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.870 7.315 2.438 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.034 5.410 2.415 1.00 0.00 N ATOM 0 H GLN A 121 109.399 4.183 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 121 107.905 6.583 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.932 6.397 -0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.860 7.734 -0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.932 6.533 0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.798 5.010 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 121 109.343 4.596 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 121 109.317 5.522 3.389 1.00 0.00 H new ATOM 1900 N PRO A 122 109.974 7.673 -3.489 1.00 0.00 N ATOM 1901 CA PRO A 122 111.115 8.198 -4.237 1.00 0.00 C ATOM 1902 C PRO A 122 112.055 9.020 -3.353 1.00 0.00 C ATOM 1903 O PRO A 122 111.604 9.817 -2.526 1.00 0.00 O ATOM 1904 CB PRO A 122 110.463 9.096 -5.302 1.00 0.00 C ATOM 1905 CG PRO A 122 108.993 9.130 -4.991 1.00 0.00 C ATOM 1906 CD PRO A 122 108.816 8.554 -3.613 1.00 0.00 C ATOM 0 HA PRO A 122 111.732 7.401 -4.652 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.888 10.099 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.639 8.701 -6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.615 10.151 -5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.431 8.552 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.811 9.329 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.878 8.007 -3.519 1.00 0.00 H new ATOM 1914 N VAL A 123 113.355 8.823 -3.526 1.00 0.00 N ATOM 1915 CA VAL A 123 114.352 9.553 -2.755 1.00 0.00 C ATOM 1916 C VAL A 123 115.249 10.364 -3.684 1.00 0.00 C ATOM 1917 O VAL A 123 115.638 9.890 -4.752 1.00 0.00 O ATOM 1918 CB VAL A 123 115.233 8.601 -1.910 1.00 0.00 C ATOM 1919 CG1 VAL A 123 116.180 9.387 -1.017 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.380 7.666 -1.071 1.00 0.00 C ATOM 0 H VAL A 123 113.745 8.161 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 123 113.814 10.218 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 123 115.824 8.000 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.788 8.696 -0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.829 10.009 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.603 10.020 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 123 115.026 7.009 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.754 8.251 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.747 7.066 -1.725 1.00 0.00 H new ATOM 1930 N THR A 124 115.565 11.586 -3.282 1.00 0.00 N ATOM 1931 CA THR A 124 116.472 12.422 -4.044 1.00 0.00 C ATOM 1932 C THR A 124 117.918 12.048 -3.734 1.00 0.00 C ATOM 1933 O THR A 124 118.233 11.671 -2.606 1.00 0.00 O ATOM 1934 CB THR A 124 116.231 13.915 -3.743 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.116 14.118 -2.328 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.970 14.410 -4.436 1.00 0.00 C ATOM 0 H THR A 124 115.205 12.018 -2.431 1.00 0.00 H new ATOM 0 HA THR A 124 116.281 12.254 -5.104 1.00 0.00 H new ATOM 0 HB THR A 124 117.081 14.481 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.660 14.968 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.821 15.466 -4.209 1.00 0.00 H new ATOM 0 HG22 THR A 124 115.073 14.281 -5.514 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.112 13.838 -4.083 1.00 0.00 H new ATOM 1944 N ALA A 125 118.784 12.146 -4.738 1.00 0.00 N ATOM 1945 CA ALA A 125 120.184 11.736 -4.612 1.00 0.00 C ATOM 1946 C ALA A 125 120.888 12.393 -3.428 1.00 0.00 C ATOM 1947 O ALA A 125 121.757 11.782 -2.809 1.00 0.00 O ATOM 1948 CB ALA A 125 120.933 12.034 -5.901 1.00 0.00 C ATOM 0 H ALA A 125 118.539 12.510 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 125 120.187 10.662 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.973 11.725 -5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.473 11.487 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.891 13.103 -6.107 1.00 0.00 H new ATOM 1954 N GLU A 126 120.527 13.626 -3.109 1.00 0.00 N ATOM 1955 CA GLU A 126 121.163 14.327 -2.001 1.00 0.00 C ATOM 1956 C GLU A 126 120.770 13.730 -0.658 1.00 0.00 C ATOM 1957 O GLU A 126 121.634 13.440 0.169 1.00 0.00 O ATOM 1958 CB GLU A 126 120.836 15.817 -2.039 1.00 0.00 C ATOM 1959 CG GLU A 126 121.879 16.636 -2.776 1.00 0.00 C ATOM 1960 CD GLU A 126 122.187 16.084 -4.148 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.507 16.480 -5.117 1.00 0.00 O ATOM 1962 OE2 GLU A 126 123.113 15.254 -4.269 1.00 0.00 O ATOM 0 H GLU A 126 119.805 14.159 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 126 122.240 14.205 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.867 15.958 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 126 120.745 16.189 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 126 121.528 17.663 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 126 122.795 16.666 -2.186 1.00 0.00 H new ATOM 1969 N GLU A 127 119.478 13.531 -0.444 1.00 0.00 N ATOM 1970 CA GLU A 127 119.006 13.001 0.827 1.00 0.00 C ATOM 1971 C GLU A 127 119.367 11.520 0.937 1.00 0.00 C ATOM 1972 O GLU A 127 119.729 11.037 2.009 1.00 0.00 O ATOM 1973 CB GLU A 127 117.494 13.199 0.982 1.00 0.00 C ATOM 1974 CG GLU A 127 117.002 14.604 0.645 1.00 0.00 C ATOM 1975 CD GLU A 127 117.929 15.713 1.117 1.00 0.00 C ATOM 1976 OE1 GLU A 127 117.962 16.008 2.324 1.00 0.00 O ATOM 1977 OE2 GLU A 127 118.619 16.313 0.265 1.00 0.00 O ATOM 0 H GLU A 127 118.744 13.726 -1.125 1.00 0.00 H new ATOM 0 HA GLU A 127 119.496 13.548 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.979 12.484 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 127 117.213 12.966 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 127 116.876 14.685 -0.435 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.019 14.751 1.093 1.00 0.00 H new ATOM 1984 N TRP A 128 119.273 10.813 -0.192 1.00 0.00 N ATOM 1985 CA TRP A 128 119.730 9.429 -0.292 1.00 0.00 C ATOM 1986 C TRP A 128 121.153 9.295 0.234 1.00 0.00 C ATOM 1987 O TRP A 128 121.417 8.516 1.152 1.00 0.00 O ATOM 1988 CB TRP A 128 119.670 8.967 -1.757 1.00 0.00 C ATOM 1989 CG TRP A 128 120.317 7.634 -2.013 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.626 7.405 -2.331 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.683 6.350 -1.987 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.846 6.061 -2.493 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.670 5.392 -2.287 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.379 5.916 -1.736 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.392 4.030 -2.343 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.107 4.563 -1.792 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.108 3.635 -2.093 1.00 0.00 C ATOM 0 H TRP A 128 118.880 11.183 -1.057 1.00 0.00 H new ATOM 0 HA TRP A 128 119.076 8.801 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.626 8.917 -2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.153 9.718 -2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.379 8.172 -2.439 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.740 5.630 -2.729 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.598 6.625 -1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.163 3.311 -2.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.103 4.216 -1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 128 118.862 2.584 -2.129 1.00 0.00 H new ATOM 2008 N LYS A 129 122.061 10.071 -0.344 1.00 0.00 N ATOM 2009 CA LYS A 129 123.467 9.999 0.023 1.00 0.00 C ATOM 2010 C LYS A 129 123.692 10.480 1.453 1.00 0.00 C ATOM 2011 O LYS A 129 124.622 10.031 2.125 1.00 0.00 O ATOM 2012 CB LYS A 129 124.324 10.815 -0.952 1.00 0.00 C ATOM 2013 CG LYS A 129 124.344 10.260 -2.369 1.00 0.00 C ATOM 2014 CD LYS A 129 125.460 10.884 -3.199 1.00 0.00 C ATOM 2015 CE LYS A 129 125.295 12.391 -3.339 1.00 0.00 C ATOM 2016 NZ LYS A 129 124.081 12.752 -4.117 1.00 0.00 N ATOM 0 H LYS A 129 121.848 10.757 -1.068 1.00 0.00 H new ATOM 0 HA LYS A 129 123.770 8.954 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.951 11.839 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.346 10.857 -0.574 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.476 9.179 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.384 10.449 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 129 126.422 10.667 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 129 125.474 10.428 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 129 125.237 12.842 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 129 126.175 12.807 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 123.981 13.787 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 124.169 12.387 -5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 123.242 12.335 -3.665 1.00 0.00 H new ATOM 2030 N LEU A 130 122.832 11.376 1.925 1.00 0.00 N ATOM 2031 CA LEU A 130 122.952 11.896 3.278 1.00 0.00 C ATOM 2032 C LEU A 130 122.663 10.800 4.296 1.00 0.00 C ATOM 2033 O LEU A 130 123.439 10.588 5.223 1.00 0.00 O ATOM 2034 CB LEU A 130 122.001 13.075 3.494 1.00 0.00 C ATOM 2035 CG LEU A 130 122.098 13.736 4.869 1.00 0.00 C ATOM 2036 CD1 LEU A 130 123.465 14.376 5.061 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.995 14.764 5.035 1.00 0.00 C ATOM 0 H LEU A 130 122.049 11.754 1.392 1.00 0.00 H new ATOM 0 HA LEU A 130 123.975 12.247 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 130 122.199 13.827 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.978 12.730 3.344 1.00 0.00 H new ATOM 0 HG LEU A 130 121.974 12.969 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 130 123.514 14.841 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 130 124.239 13.612 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.623 15.134 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 130 121.075 15.228 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 130 121.091 15.529 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 130 120.025 14.275 4.942 1.00 0.00 H new ATOM 2049 N VAL A 131 121.552 10.095 4.103 1.00 0.00 N ATOM 2050 CA VAL A 131 121.156 9.017 5.006 1.00 0.00 C ATOM 2051 C VAL A 131 122.198 7.900 5.010 1.00 0.00 C ATOM 2052 O VAL A 131 122.492 7.321 6.056 1.00 0.00 O ATOM 2053 CB VAL A 131 119.777 8.434 4.619 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.376 7.308 5.560 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.718 9.525 4.615 1.00 0.00 C ATOM 0 H VAL A 131 120.908 10.251 3.328 1.00 0.00 H new ATOM 0 HA VAL A 131 121.085 9.445 6.006 1.00 0.00 H new ATOM 0 HB VAL A 131 119.856 8.022 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.403 6.916 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.118 6.511 5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.320 7.689 6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.754 9.096 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.648 9.968 5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.991 10.295 3.893 1.00 0.00 H new ATOM 2065 N CYS A 132 122.764 7.613 3.842 1.00 0.00 N ATOM 2066 CA CYS A 132 123.822 6.615 3.726 1.00 0.00 C ATOM 2067 C CYS A 132 125.014 7.004 4.596 1.00 0.00 C ATOM 2068 O CYS A 132 125.408 6.267 5.500 1.00 0.00 O ATOM 2069 CB CYS A 132 124.266 6.477 2.268 1.00 0.00 C ATOM 2070 SG CYS A 132 122.953 5.959 1.138 1.00 0.00 S ATOM 0 H CYS A 132 122.507 8.058 2.961 1.00 0.00 H new ATOM 0 HA CYS A 132 123.431 5.657 4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.665 7.433 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.081 5.755 2.215 1.00 0.00 H new ATOM 0 HG CYS A 132 122.137 6.951 0.938 1.00 0.00 H new ATOM 2076 N LYS A 133 125.553 8.189 4.334 1.00 0.00 N ATOM 2077 CA LYS A 133 126.709 8.705 5.062 1.00 0.00 C ATOM 2078 C LYS A 133 126.393 8.866 6.550 1.00 0.00 C ATOM 2079 O LYS A 133 127.266 8.705 7.404 1.00 0.00 O ATOM 2080 CB LYS A 133 127.132 10.035 4.433 1.00 0.00 C ATOM 2081 CG LYS A 133 128.212 10.792 5.192 1.00 0.00 C ATOM 2082 CD LYS A 133 128.702 11.991 4.392 1.00 0.00 C ATOM 2083 CE LYS A 133 127.549 12.879 3.941 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.995 13.917 2.974 1.00 0.00 N ATOM 0 H LYS A 133 125.203 8.819 3.612 1.00 0.00 H new ATOM 0 HA LYS A 133 127.534 7.996 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.487 9.844 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 133 126.254 10.675 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.820 11.127 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 133 129.048 10.125 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 133 129.394 12.574 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 133 129.256 11.644 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.775 12.264 3.482 1.00 0.00 H new ATOM 0 HE3 LYS A 133 127.100 13.361 4.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 127.299 14.690 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 128.919 14.292 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 128.079 13.496 2.027 1.00 0.00 H new ATOM 2098 N MET A 134 125.136 9.165 6.848 1.00 0.00 N ATOM 2099 CA MET A 134 124.671 9.282 8.225 1.00 0.00 C ATOM 2100 C MET A 134 124.628 7.907 8.892 1.00 0.00 C ATOM 2101 O MET A 134 124.869 7.776 10.092 1.00 0.00 O ATOM 2102 CB MET A 134 123.283 9.935 8.250 1.00 0.00 C ATOM 2103 CG MET A 134 122.749 10.216 9.645 1.00 0.00 C ATOM 2104 SD MET A 134 121.203 11.150 9.625 1.00 0.00 S ATOM 2105 CE MET A 134 120.131 10.030 8.729 1.00 0.00 C ATOM 0 H MET A 134 124.413 9.332 6.148 1.00 0.00 H new ATOM 0 HA MET A 134 125.367 9.910 8.782 1.00 0.00 H new ATOM 0 HB2 MET A 134 123.325 10.872 7.694 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.580 9.286 7.728 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.591 9.272 10.166 1.00 0.00 H new ATOM 0 HG3 MET A 134 123.497 10.771 10.211 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.982 10.402 7.715 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.589 9.042 8.689 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.169 9.963 9.237 1.00 0.00 H new ATOM 2115 N GLY A 135 124.348 6.884 8.093 1.00 0.00 N ATOM 2116 CA GLY A 135 124.273 5.527 8.602 1.00 0.00 C ATOM 2117 C GLY A 135 125.603 4.802 8.529 1.00 0.00 C ATOM 2118 O GLY A 135 125.648 3.581 8.358 1.00 0.00 O ATOM 0 H GLY A 135 124.170 6.972 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.932 5.550 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.528 4.970 8.033 1.00 0.00 H new ATOM 2122 N GLY A 136 126.688 5.557 8.632 1.00 0.00 N ATOM 2123 CA GLY A 136 128.010 4.963 8.698 1.00 0.00 C ATOM 2124 C GLY A 136 128.581 4.615 7.337 1.00 0.00 C ATOM 2125 O GLY A 136 129.699 4.111 7.242 1.00 0.00 O ATOM 0 H GLY A 136 126.676 6.576 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.686 5.654 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.965 4.060 9.307 1.00 0.00 H new ATOM 2129 N LEU A 137 127.823 4.875 6.283 1.00 0.00 N ATOM 2130 CA LEU A 137 128.276 4.578 4.935 1.00 0.00 C ATOM 2131 C LEU A 137 129.014 5.785 4.369 1.00 0.00 C ATOM 2132 O LEU A 137 128.415 6.649 3.732 1.00 0.00 O ATOM 2133 CB LEU A 137 127.092 4.212 4.038 1.00 0.00 C ATOM 2134 CG LEU A 137 127.454 3.553 2.708 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.862 2.107 2.932 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.287 3.641 1.739 1.00 0.00 C ATOM 0 H LEU A 137 126.893 5.290 6.336 1.00 0.00 H new ATOM 0 HA LEU A 137 128.954 3.725 4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.435 3.540 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.521 5.117 3.832 1.00 0.00 H new ATOM 0 HG LEU A 137 128.300 4.084 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.117 1.649 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.727 2.071 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.035 1.562 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.560 3.167 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.422 3.131 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.040 4.688 1.561 1.00 0.00 H new ATOM 2148 N LEU A 138 130.308 5.853 4.641 1.00 0.00 N ATOM 2149 CA LEU A 138 131.118 6.992 4.235 1.00 0.00 C ATOM 2150 C LEU A 138 131.231 7.069 2.716 1.00 0.00 C ATOM 2151 O LEU A 138 131.201 6.049 2.026 1.00 0.00 O ATOM 2152 CB LEU A 138 132.509 6.901 4.868 1.00 0.00 C ATOM 2153 CG LEU A 138 132.949 8.122 5.687 1.00 0.00 C ATOM 2154 CD1 LEU A 138 133.030 9.364 4.814 1.00 0.00 C ATOM 2155 CD2 LEU A 138 131.997 8.353 6.850 1.00 0.00 C ATOM 0 H LEU A 138 130.822 5.129 5.144 1.00 0.00 H new ATOM 0 HA LEU A 138 130.628 7.901 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 138 132.537 6.024 5.514 1.00 0.00 H new ATOM 0 HB3 LEU A 138 133.239 6.736 4.075 1.00 0.00 H new ATOM 0 HG LEU A 138 133.944 7.921 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 138 133.344 10.214 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 138 133.753 9.201 4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 138 132.051 9.569 4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 138 132.324 9.223 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 138 130.991 8.527 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 138 131.993 7.476 7.497 1.00 0.00 H new ATOM 2167 N GLU A 139 131.361 8.288 2.213 1.00 0.00 N ATOM 2168 CA GLU A 139 131.436 8.537 0.781 1.00 0.00 C ATOM 2169 C GLU A 139 132.771 8.064 0.217 1.00 0.00 C ATOM 2170 O GLU A 139 133.739 8.828 0.172 1.00 0.00 O ATOM 2171 CB GLU A 139 131.258 10.029 0.508 1.00 0.00 C ATOM 2172 CG GLU A 139 130.055 10.627 1.214 1.00 0.00 C ATOM 2173 CD GLU A 139 130.023 12.137 1.133 1.00 0.00 C ATOM 2174 OE1 GLU A 139 131.049 12.775 1.442 1.00 0.00 O ATOM 2175 OE2 GLU A 139 128.969 12.695 0.772 1.00 0.00 O ATOM 0 H GLU A 139 131.417 9.131 2.785 1.00 0.00 H new ATOM 0 HA GLU A 139 130.639 7.979 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 139 132.157 10.559 0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 139 131.156 10.186 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 139 129.143 10.224 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 139 130.065 10.323 2.261 1.00 0.00 H new ATOM 2182 N HIS A 140 132.813 6.786 -0.168 1.00 0.00 N ATOM 2183 CA HIS A 140 133.991 6.158 -0.774 1.00 0.00 C ATOM 2184 C HIS A 140 135.119 6.004 0.249 1.00 0.00 C ATOM 2185 O HIS A 140 135.452 4.887 0.641 1.00 0.00 O ATOM 2186 CB HIS A 140 134.466 6.948 -2.005 1.00 0.00 C ATOM 2187 CG HIS A 140 135.539 6.263 -2.802 1.00 0.00 C ATOM 2188 ND1 HIS A 140 135.275 5.464 -3.893 1.00 0.00 N ATOM 2189 CD2 HIS A 140 136.886 6.280 -2.674 1.00 0.00 C ATOM 2190 CE1 HIS A 140 136.410 5.023 -4.399 1.00 0.00 C ATOM 2191 NE2 HIS A 140 137.406 5.502 -3.680 1.00 0.00 N ATOM 0 H HIS A 140 132.021 6.151 -0.067 1.00 0.00 H new ATOM 0 HA HIS A 140 133.704 5.161 -1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 140 133.611 7.135 -2.654 1.00 0.00 H new ATOM 0 HB3 HIS A 140 134.837 7.920 -1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 140 137.449 6.808 -1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 140 136.508 4.377 -5.259 1.00 0.00 H new ATOM 0 HE2 HIS A 140 138.397 5.325 -3.843 1.00 0.00 H new ATOM 2200 N HIS A 141 135.694 7.123 0.682 1.00 0.00 N ATOM 2201 CA HIS A 141 136.778 7.107 1.663 1.00 0.00 C ATOM 2202 C HIS A 141 137.173 8.525 2.056 1.00 0.00 C ATOM 2203 O HIS A 141 137.426 8.798 3.229 1.00 0.00 O ATOM 2204 CB HIS A 141 138.008 6.386 1.104 1.00 0.00 C ATOM 2205 CG HIS A 141 139.087 6.149 2.120 1.00 0.00 C ATOM 2206 ND1 HIS A 141 140.062 7.078 2.427 1.00 0.00 N ATOM 2207 CD2 HIS A 141 139.342 5.071 2.895 1.00 0.00 C ATOM 2208 CE1 HIS A 141 140.870 6.576 3.342 1.00 0.00 C ATOM 2209 NE2 HIS A 141 140.454 5.359 3.644 1.00 0.00 N ATOM 0 H HIS A 141 135.427 8.056 0.368 1.00 0.00 H new ATOM 0 HA HIS A 141 136.415 6.575 2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 141 137.697 5.428 0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 141 138.419 6.972 0.282 1.00 0.00 H new ATOM 0 HD1 HIS A 141 140.145 8.006 2.012 1.00 0.00 H new ATOM 0 HD2 HIS A 141 138.775 4.152 2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 141 141.726 7.075 3.771 1.00 0.00 H new ATOM 2218 N HIS A 142 137.219 9.411 1.059 1.00 0.00 N ATOM 2219 CA HIS A 142 137.739 10.771 1.218 1.00 0.00 C ATOM 2220 C HIS A 142 139.260 10.755 1.350 1.00 0.00 C ATOM 2221 O HIS A 142 139.814 10.005 2.149 1.00 0.00 O ATOM 2222 CB HIS A 142 137.098 11.512 2.401 1.00 0.00 C ATOM 2223 CG HIS A 142 135.773 12.128 2.077 1.00 0.00 C ATOM 2224 ND1 HIS A 142 135.615 13.474 1.830 1.00 0.00 N ATOM 2225 CD2 HIS A 142 134.538 11.582 1.965 1.00 0.00 C ATOM 2226 CE1 HIS A 142 134.344 13.729 1.580 1.00 0.00 C ATOM 2227 NE2 HIS A 142 133.670 12.601 1.657 1.00 0.00 N ATOM 0 H HIS A 142 136.895 9.204 0.114 1.00 0.00 H new ATOM 0 HA HIS A 142 137.469 11.321 0.317 1.00 0.00 H new ATOM 0 HB2 HIS A 142 136.972 10.815 3.230 1.00 0.00 H new ATOM 0 HB3 HIS A 142 137.778 12.293 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 142 134.284 10.540 2.094 1.00 0.00 H new ATOM 0 HE1 HIS A 142 133.928 14.699 1.351 1.00 0.00 H new ATOM 0 HE2 HIS A 142 132.666 12.500 1.511 1.00 0.00 H new ATOM 2236 N HIS A 143 139.899 11.598 0.540 1.00 0.00 N ATOM 2237 CA HIS A 143 141.361 11.719 0.425 1.00 0.00 C ATOM 2238 C HIS A 143 142.101 10.374 0.524 1.00 0.00 C ATOM 2239 O HIS A 143 142.370 9.857 1.607 1.00 0.00 O ATOM 2240 CB HIS A 143 141.934 12.768 1.418 1.00 0.00 C ATOM 2241 CG HIS A 143 142.154 12.305 2.834 1.00 0.00 C ATOM 2242 ND1 HIS A 143 143.409 12.045 3.352 1.00 0.00 N ATOM 2243 CD2 HIS A 143 141.283 12.066 3.842 1.00 0.00 C ATOM 2244 CE1 HIS A 143 143.294 11.663 4.609 1.00 0.00 C ATOM 2245 NE2 HIS A 143 142.016 11.667 4.934 1.00 0.00 N ATOM 0 H HIS A 143 139.401 12.239 -0.077 1.00 0.00 H new ATOM 0 HA HIS A 143 141.547 12.083 -0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 143 142.886 13.126 1.025 1.00 0.00 H new ATOM 0 HB3 HIS A 143 141.257 13.622 1.440 1.00 0.00 H new ATOM 0 HD1 HIS A 143 144.287 12.135 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 143 140.209 12.170 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 143 144.110 11.392 5.263 1.00 0.00 H new ATOM 2254 N HIS A 144 142.428 9.799 -0.618 1.00 0.00 N ATOM 2255 CA HIS A 144 143.321 8.652 -0.638 1.00 0.00 C ATOM 2256 C HIS A 144 144.754 9.169 -0.642 1.00 0.00 C ATOM 2257 O HIS A 144 145.496 9.020 -1.612 1.00 0.00 O ATOM 2258 CB HIS A 144 143.050 7.745 -1.845 1.00 0.00 C ATOM 2259 CG HIS A 144 143.883 6.494 -1.853 1.00 0.00 C ATOM 2260 ND1 HIS A 144 143.766 5.503 -0.903 1.00 0.00 N ATOM 2261 CD2 HIS A 144 144.862 6.088 -2.693 1.00 0.00 C ATOM 2262 CE1 HIS A 144 144.636 4.546 -1.159 1.00 0.00 C ATOM 2263 NE2 HIS A 144 145.314 4.875 -2.241 1.00 0.00 N ATOM 0 H HIS A 144 142.095 10.101 -1.534 1.00 0.00 H new ATOM 0 HA HIS A 144 143.150 8.039 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 144 141.995 7.470 -1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 144 143.241 8.305 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 144 145.222 6.621 -3.561 1.00 0.00 H new ATOM 0 HE1 HIS A 144 144.771 3.644 -0.580 1.00 0.00 H new ATOM 0 HE2 HIS A 144 146.053 4.319 -2.671 1.00 0.00 H new ATOM 2272 N HIS A 145 145.103 9.820 0.455 1.00 0.00 N ATOM 2273 CA HIS A 145 146.372 10.511 0.593 1.00 0.00 C ATOM 2274 C HIS A 145 146.513 10.982 2.032 1.00 0.00 C ATOM 2275 O HIS A 145 146.046 12.101 2.343 1.00 0.00 O ATOM 2276 CB HIS A 145 146.426 11.706 -0.368 1.00 0.00 C ATOM 2277 CG HIS A 145 147.767 12.372 -0.453 1.00 0.00 C ATOM 2278 ND1 HIS A 145 148.736 11.985 -1.349 1.00 0.00 N ATOM 2279 CD2 HIS A 145 148.289 13.420 0.232 1.00 0.00 C ATOM 2280 CE1 HIS A 145 149.794 12.762 -1.214 1.00 0.00 C ATOM 2281 NE2 HIS A 145 149.551 13.644 -0.261 1.00 0.00 N ATOM 2282 OXT HIS A 145 147.050 10.220 2.853 1.00 0.00 O ATOM 0 H HIS A 145 144.508 9.884 1.281 1.00 0.00 H new ATOM 0 HA HIS A 145 147.193 9.838 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 145 146.137 11.369 -1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 145 145.687 12.443 -0.054 1.00 0.00 H new ATOM 0 HD2 HIS A 145 147.802 13.976 1.020 1.00 0.00 H new ATOM 0 HE1 HIS A 145 150.706 12.689 -1.787 1.00 0.00 H new ATOM 0 HE2 HIS A 145 150.193 14.370 0.056 1.00 0.00 H new TER 2291 HIS A 145