USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=38 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 33 ASN : amide:sc= 1.1 K(o=1.5,f=-6!) USER MOD Set 1.2: A 119 SER OG : rot -179:sc= 0.432 USER MOD Set 2.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 83 CYS SG : rot 73:sc= -3.86! USER MOD Set 3.1: A 51 TYR OH : rot -140:sc= 1.27 USER MOD Set 3.2: A 53 HIS : no HE2:sc= 0.214 K(o=1.5,f=-2.8) USER MOD Set 4.1: A 29 THR OG1 : rot -149:sc= -0.242 USER MOD Set 4.2: A 75 THR OG1 : rot 95:sc= 0.861 USER MOD Set 5.1: A 14 SER OG : rot 161:sc= 0.492 USER MOD Set 5.2: A 17 GLN : amide:sc= 0.53 K(o=1,f=0.0027) USER MOD Set 6.1: A 7 LYS NZ :NH3+ -165:sc= 2.15 (180deg=2) USER MOD Set 6.2: A 121 GLN : amide:sc= -3.78! C(o=-1.6!,f=-5.5!) USER MOD Single : A 1 VAL N :NH3+ -171:sc= -0.784! (180deg=-1.08) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.000135 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.698 K(o=0.7,f=-4.9!) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.21 (180deg=0.83) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.2) USER MOD Single : A 39 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.11) USER MOD Single : A 40 MET CE :methyl -158:sc= -0.247 (180deg=-1.06) USER MOD Single : A 43 MET CE :methyl 139:sc= -0.337 (180deg=-1.62!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -33:sc= 0.00704 USER MOD Single : A 55 ASN : amide:sc= 1.15 K(o=1.1,f=-1.4) 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+ 163:sc= -0.0258 (180deg=-0.27) USER MOD Single : A 87 LYS NZ :NH3+ -148:sc= 0.59 (180deg=0.184) USER MOD Single : A 90 LYS NZ :NH3+ -169:sc= 1.13 (180deg=0.899) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.953) USER MOD Single : A 110 MET CE :methyl -135:sc= -0.0798 (180deg=-0.687) USER MOD Single : A 113 MET CE :methyl -176:sc= -1.82 (180deg=-1.93) USER MOD Single : A 114 LYS NZ :NH3+ -176:sc= 1.14 (180deg=1.12) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -92:sc= 1.24 USER MOD Single : A 129 LYS NZ :NH3+ -166:sc= -0.0227 (180deg=-0.209) USER MOD Single : A 132 CYS SG : rot 77:sc= 1.17 USER MOD Single : A 133 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.104) USER MOD Single : A 134 MET CE :methyl -163:sc= -0.083 (180deg=-0.235) USER MOD Single : A 140 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD Single : A 144 HIS : no HE2:sc= 0.358 K(o=0.36,f=-1.6) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 119.791 3.730 -10.630 1.00 0.00 N ATOM 2 CA VAL A 1 119.956 5.190 -10.819 1.00 0.00 C ATOM 3 C VAL A 1 118.918 5.953 -10.020 1.00 0.00 C ATOM 4 O VAL A 1 119.240 6.902 -9.308 1.00 0.00 O ATOM 5 CB VAL A 1 119.870 5.575 -12.308 1.00 0.00 C ATOM 6 CG1 VAL A 1 120.004 7.080 -12.495 1.00 0.00 C ATOM 7 CG2 VAL A 1 120.948 4.841 -13.085 1.00 0.00 C ATOM 0 H1 VAL A 1 120.597 3.231 -11.058 1.00 0.00 H new ATOM 0 H2 VAL A 1 119.750 3.514 -9.614 1.00 0.00 H new ATOM 0 H3 VAL A 1 118.910 3.418 -11.086 1.00 0.00 H new ATOM 0 HA VAL A 1 120.948 5.460 -10.456 1.00 0.00 H new ATOM 0 HB VAL A 1 118.891 5.283 -12.688 1.00 0.00 H new ATOM 0 HG11 VAL A 1 119.940 7.322 -13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 1 119.202 7.586 -11.958 1.00 0.00 H new ATOM 0 HG13 VAL A 1 120.967 7.411 -12.105 1.00 0.00 H new ATOM 0 HG21 VAL A 1 120.887 5.114 -14.139 1.00 0.00 H new ATOM 0 HG22 VAL A 1 121.928 5.116 -12.695 1.00 0.00 H new ATOM 0 HG23 VAL A 1 120.804 3.766 -12.980 1.00 0.00 H new ATOM 19 N ALA A 2 117.682 5.524 -10.128 1.00 0.00 N ATOM 20 CA ALA A 2 116.619 6.073 -9.310 1.00 0.00 C ATOM 21 C ALA A 2 116.661 5.401 -7.950 1.00 0.00 C ATOM 22 O ALA A 2 117.080 4.247 -7.838 1.00 0.00 O ATOM 23 CB ALA A 2 115.264 5.881 -9.974 1.00 0.00 C ATOM 0 H ALA A 2 117.385 4.794 -10.776 1.00 0.00 H new ATOM 0 HA ALA A 2 116.766 7.147 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.485 6.302 -9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.257 6.386 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.078 4.817 -10.120 1.00 0.00 H new ATOM 29 N TYR A 3 116.274 6.117 -6.915 1.00 0.00 N ATOM 30 CA TYR A 3 116.365 5.582 -5.571 1.00 0.00 C ATOM 31 C TYR A 3 114.981 5.475 -4.956 1.00 0.00 C ATOM 32 O TYR A 3 114.123 6.323 -5.189 1.00 0.00 O ATOM 33 CB TYR A 3 117.305 6.443 -4.722 1.00 0.00 C ATOM 34 CG TYR A 3 118.685 6.588 -5.334 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.309 5.508 -5.949 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.360 7.802 -5.307 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.563 5.631 -6.514 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.617 7.931 -5.871 1.00 0.00 C ATOM 39 CZ TYR A 3 121.211 6.842 -6.473 1.00 0.00 C ATOM 40 OH TYR A 3 122.464 6.961 -7.030 1.00 0.00 O ATOM 0 H TYR A 3 115.897 7.063 -6.976 1.00 0.00 H new ATOM 0 HA TYR A 3 116.786 4.577 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.865 7.432 -4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.397 6.001 -3.730 1.00 0.00 H new ATOM 0 HD1 TYR A 3 118.803 4.555 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.897 8.658 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.032 4.780 -6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.131 8.881 -5.840 1.00 0.00 H new ATOM 0 HH TYR A 3 122.785 7.880 -6.920 1.00 0.00 H new ATOM 50 N TRP A 4 114.756 4.408 -4.204 1.00 0.00 N ATOM 51 CA TRP A 4 113.437 4.118 -3.666 1.00 0.00 C ATOM 52 C TRP A 4 113.535 3.679 -2.211 1.00 0.00 C ATOM 53 O TRP A 4 114.623 3.421 -1.699 1.00 0.00 O ATOM 54 CB TRP A 4 112.763 3.014 -4.493 1.00 0.00 C ATOM 55 CG TRP A 4 112.773 3.274 -5.973 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.682 2.805 -6.882 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.841 4.070 -6.715 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.373 3.262 -8.140 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.245 4.038 -8.065 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.703 4.804 -6.370 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.551 4.715 -9.064 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.017 5.474 -7.363 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.442 5.425 -8.696 1.00 0.00 C ATOM 0 H TRP A 4 115.473 3.727 -3.952 1.00 0.00 H new ATOM 0 HA TRP A 4 112.838 5.027 -3.718 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.266 2.067 -4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.731 2.902 -4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.521 2.168 -6.645 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.897 3.058 -8.991 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.366 4.846 -5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.877 4.681 -10.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.137 6.046 -7.107 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.882 5.959 -9.449 1.00 0.00 H new ATOM 74 N LEU A 5 112.396 3.597 -1.551 1.00 0.00 N ATOM 75 CA LEU A 5 112.333 3.113 -0.183 1.00 0.00 C ATOM 76 C LEU A 5 111.168 2.142 -0.053 1.00 0.00 C ATOM 77 O LEU A 5 110.029 2.489 -0.378 1.00 0.00 O ATOM 78 CB LEU A 5 112.183 4.293 0.794 1.00 0.00 C ATOM 79 CG LEU A 5 112.381 3.970 2.284 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.734 5.234 3.050 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.127 3.347 2.882 1.00 0.00 C ATOM 0 H LEU A 5 111.493 3.862 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 5 113.257 2.592 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.900 5.064 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.188 4.720 0.665 1.00 0.00 H new ATOM 0 HG LEU A 5 113.197 3.253 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.872 4.994 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.656 5.656 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.928 5.960 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.296 3.129 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.293 4.042 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.892 2.423 2.354 1.00 0.00 H new ATOM 93 N VAL A 6 111.458 0.931 0.401 1.00 0.00 N ATOM 94 CA VAL A 6 110.433 -0.093 0.548 1.00 0.00 C ATOM 95 C VAL A 6 110.180 -0.405 2.021 1.00 0.00 C ATOM 96 O VAL A 6 111.116 -0.510 2.820 1.00 0.00 O ATOM 97 CB VAL A 6 110.799 -1.392 -0.206 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.828 -1.150 -1.707 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.136 -1.951 0.264 1.00 0.00 C ATOM 0 H VAL A 6 112.395 0.633 0.674 1.00 0.00 H new ATOM 0 HA VAL A 6 109.521 0.309 0.106 1.00 0.00 H new ATOM 0 HB VAL A 6 110.029 -2.130 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.088 -2.076 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.846 -0.813 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.571 -0.387 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.362 -2.864 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.921 -1.216 0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.083 -2.174 1.330 1.00 0.00 H new ATOM 109 N LYS A 7 108.911 -0.532 2.373 1.00 0.00 N ATOM 110 CA LYS A 7 108.518 -0.824 3.745 1.00 0.00 C ATOM 111 C LYS A 7 108.161 -2.295 3.903 1.00 0.00 C ATOM 112 O LYS A 7 107.280 -2.810 3.211 1.00 0.00 O ATOM 113 CB LYS A 7 107.330 0.053 4.145 1.00 0.00 C ATOM 114 CG LYS A 7 107.660 1.536 4.172 1.00 0.00 C ATOM 115 CD LYS A 7 106.410 2.387 4.325 1.00 0.00 C ATOM 116 CE LYS A 7 106.751 3.867 4.354 1.00 0.00 C ATOM 117 NZ LYS A 7 105.550 4.719 4.142 1.00 0.00 N ATOM 0 H LYS A 7 108.130 -0.437 1.724 1.00 0.00 H new ATOM 0 HA LYS A 7 109.361 -0.605 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.510 -0.117 3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 7 106.978 -0.252 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.344 1.742 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.177 1.811 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.727 2.185 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.891 2.113 5.243 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.207 4.115 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 7 107.490 4.084 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.848 5.689 3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.988 4.337 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.973 4.727 5.007 1.00 0.00 H new ATOM 131 N SER A 8 108.852 -2.967 4.810 1.00 0.00 N ATOM 132 CA SER A 8 108.609 -4.374 5.073 1.00 0.00 C ATOM 133 C SER A 8 108.657 -4.641 6.575 1.00 0.00 C ATOM 134 O SER A 8 109.199 -3.838 7.337 1.00 0.00 O ATOM 135 CB SER A 8 109.653 -5.227 4.343 1.00 0.00 C ATOM 136 OG SER A 8 109.396 -6.613 4.501 1.00 0.00 O ATOM 0 H SER A 8 109.591 -2.555 5.380 1.00 0.00 H new ATOM 0 HA SER A 8 107.619 -4.642 4.705 1.00 0.00 H new ATOM 0 HB2 SER A 8 109.653 -4.975 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 8 110.647 -4.994 4.726 1.00 0.00 H new ATOM 0 HG SER A 8 110.078 -7.129 4.022 1.00 0.00 H new ATOM 142 N GLU A 9 108.089 -5.761 7.001 1.00 0.00 N ATOM 143 CA GLU A 9 108.088 -6.132 8.408 1.00 0.00 C ATOM 144 C GLU A 9 108.871 -7.421 8.622 1.00 0.00 C ATOM 145 O GLU A 9 108.774 -8.352 7.820 1.00 0.00 O ATOM 146 CB GLU A 9 106.659 -6.306 8.923 1.00 0.00 C ATOM 147 CG GLU A 9 105.864 -5.015 8.972 1.00 0.00 C ATOM 148 CD GLU A 9 104.515 -5.205 9.626 1.00 0.00 C ATOM 149 OE1 GLU A 9 104.472 -5.408 10.854 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.488 -5.155 8.920 1.00 0.00 O ATOM 0 H GLU A 9 107.622 -6.430 6.389 1.00 0.00 H new ATOM 0 HA GLU A 9 108.567 -5.328 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.137 -7.019 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.693 -6.739 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.430 -4.262 9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.726 -4.636 7.959 1.00 0.00 H new ATOM 157 N PRO A 10 109.637 -7.498 9.725 1.00 0.00 N ATOM 158 CA PRO A 10 110.461 -8.673 10.046 1.00 0.00 C ATOM 159 C PRO A 10 109.608 -9.885 10.400 1.00 0.00 C ATOM 160 O PRO A 10 110.090 -11.018 10.433 1.00 0.00 O ATOM 161 CB PRO A 10 111.274 -8.217 11.259 1.00 0.00 C ATOM 162 CG PRO A 10 110.457 -7.143 11.886 1.00 0.00 C ATOM 163 CD PRO A 10 109.746 -6.449 10.758 1.00 0.00 C ATOM 0 HA PRO A 10 111.076 -8.988 9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 10 111.444 -9.040 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.254 -7.845 10.960 1.00 0.00 H new ATOM 0 HG2 PRO A 10 109.745 -7.560 12.598 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.087 -6.445 12.438 1.00 0.00 H new ATOM 0 HD2 PRO A 10 108.766 -6.084 11.065 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.309 -5.588 10.398 1.00 0.00 H new ATOM 171 N SER A 11 108.336 -9.627 10.669 1.00 0.00 N ATOM 172 CA SER A 11 107.377 -10.678 10.951 1.00 0.00 C ATOM 173 C SER A 11 107.117 -11.518 9.702 1.00 0.00 C ATOM 174 O SER A 11 106.873 -12.723 9.789 1.00 0.00 O ATOM 175 CB SER A 11 106.072 -10.052 11.446 1.00 0.00 C ATOM 176 OG SER A 11 106.319 -9.144 12.508 1.00 0.00 O ATOM 0 H SER A 11 107.944 -8.686 10.697 1.00 0.00 H new ATOM 0 HA SER A 11 107.783 -11.332 11.723 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.578 -9.532 10.625 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.392 -10.835 11.782 1.00 0.00 H new ATOM 0 HG SER A 11 105.472 -8.754 12.808 1.00 0.00 H new ATOM 182 N VAL A 12 107.185 -10.874 8.544 1.00 0.00 N ATOM 183 CA VAL A 12 106.912 -11.541 7.281 1.00 0.00 C ATOM 184 C VAL A 12 108.208 -11.984 6.612 1.00 0.00 C ATOM 185 O VAL A 12 108.377 -13.156 6.276 1.00 0.00 O ATOM 186 CB VAL A 12 106.130 -10.624 6.314 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.793 -11.361 5.025 1.00 0.00 C ATOM 188 CG2 VAL A 12 104.864 -10.098 6.975 1.00 0.00 C ATOM 0 H VAL A 12 107.428 -9.887 8.455 1.00 0.00 H new ATOM 0 HA VAL A 12 106.301 -12.415 7.506 1.00 0.00 H new ATOM 0 HB VAL A 12 106.765 -9.774 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.243 -10.696 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.714 -11.682 4.538 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.181 -12.233 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.329 -9.455 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.226 -10.936 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.129 -9.527 7.865 1.00 0.00 H new ATOM 198 N TRP A 13 109.126 -11.044 6.432 1.00 0.00 N ATOM 199 CA TRP A 13 110.387 -11.332 5.769 1.00 0.00 C ATOM 200 C TRP A 13 111.540 -10.704 6.541 1.00 0.00 C ATOM 201 O TRP A 13 111.439 -9.570 7.019 1.00 0.00 O ATOM 202 CB TRP A 13 110.353 -10.817 4.328 1.00 0.00 C ATOM 203 CG TRP A 13 111.525 -11.258 3.506 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.452 -10.457 2.904 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.900 -12.608 3.199 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.373 -11.225 2.236 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.058 -12.545 2.403 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.369 -13.863 3.517 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.695 -13.684 1.921 1.00 0.00 C ATOM 210 CZ3 TRP A 13 112.003 -14.995 3.039 1.00 0.00 C ATOM 211 CH2 TRP A 13 113.154 -14.898 2.248 1.00 0.00 C ATOM 0 H TRP A 13 109.020 -10.076 6.736 1.00 0.00 H new ATOM 0 HA TRP A 13 110.538 -12.411 5.744 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.435 -11.160 3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.318 -9.728 4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.460 -9.378 2.947 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.165 -10.868 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.480 -13.946 4.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.584 -13.613 1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 111.604 -15.969 3.280 1.00 0.00 H new ATOM 0 HH2 TRP A 13 113.625 -15.801 1.888 1.00 0.00 H new ATOM 222 N SER A 14 112.628 -11.442 6.666 1.00 0.00 N ATOM 223 CA SER A 14 113.761 -10.996 7.452 1.00 0.00 C ATOM 224 C SER A 14 114.922 -10.562 6.561 1.00 0.00 C ATOM 225 O SER A 14 115.029 -10.980 5.407 1.00 0.00 O ATOM 226 CB SER A 14 114.193 -12.110 8.402 1.00 0.00 C ATOM 227 OG SER A 14 114.264 -13.354 7.724 1.00 0.00 O ATOM 0 H SER A 14 112.750 -12.356 6.231 1.00 0.00 H new ATOM 0 HA SER A 14 113.458 -10.126 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 14 115.165 -11.870 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.487 -12.182 9.229 1.00 0.00 H new ATOM 0 HG SER A 14 114.818 -13.977 8.240 1.00 0.00 H new ATOM 233 N TRP A 15 115.790 -9.723 7.112 1.00 0.00 N ATOM 234 CA TRP A 15 116.920 -9.175 6.370 1.00 0.00 C ATOM 235 C TRP A 15 117.989 -10.239 6.133 1.00 0.00 C ATOM 236 O TRP A 15 118.611 -10.274 5.073 1.00 0.00 O ATOM 237 CB TRP A 15 117.500 -7.977 7.135 1.00 0.00 C ATOM 238 CG TRP A 15 118.737 -7.382 6.518 1.00 0.00 C ATOM 239 CD1 TRP A 15 119.952 -7.229 7.123 1.00 0.00 C ATOM 240 CD2 TRP A 15 118.883 -6.862 5.189 1.00 0.00 C ATOM 241 NE1 TRP A 15 120.841 -6.642 6.257 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.211 -6.408 5.063 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.024 -6.734 4.094 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.697 -5.840 3.887 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.508 -6.170 2.928 1.00 0.00 C ATOM 246 CH2 TRP A 15 119.833 -5.729 2.833 1.00 0.00 C ATOM 0 H TRP A 15 115.732 -9.404 8.079 1.00 0.00 H new ATOM 0 HA TRP A 15 116.572 -8.840 5.393 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.736 -7.203 7.205 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.732 -8.290 8.153 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.180 -7.527 8.136 1.00 0.00 H new ATOM 0 HE1 TRP A 15 121.813 -6.417 6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.000 -7.070 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 121.719 -5.500 3.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 117.852 -6.068 2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.180 -5.292 1.908 1.00 0.00 H new ATOM 257 N ASP A 16 118.174 -11.122 7.113 1.00 0.00 N ATOM 258 CA ASP A 16 119.203 -12.163 7.036 1.00 0.00 C ATOM 259 C ASP A 16 119.020 -13.037 5.801 1.00 0.00 C ATOM 260 O ASP A 16 119.971 -13.285 5.055 1.00 0.00 O ATOM 261 CB ASP A 16 119.179 -13.037 8.293 1.00 0.00 C ATOM 262 CG ASP A 16 120.160 -14.192 8.215 1.00 0.00 C ATOM 263 OD1 ASP A 16 121.358 -13.984 8.508 1.00 0.00 O ATOM 264 OD2 ASP A 16 119.736 -15.314 7.869 1.00 0.00 O ATOM 0 H ASP A 16 117.625 -11.139 7.972 1.00 0.00 H new ATOM 0 HA ASP A 16 120.169 -11.663 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 16 119.413 -12.423 9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 16 118.172 -13.428 8.441 1.00 0.00 H new ATOM 269 N GLN A 17 117.794 -13.492 5.583 1.00 0.00 N ATOM 270 CA GLN A 17 117.484 -14.340 4.439 1.00 0.00 C ATOM 271 C GLN A 17 117.682 -13.591 3.129 1.00 0.00 C ATOM 272 O GLN A 17 118.073 -14.179 2.122 1.00 0.00 O ATOM 273 CB GLN A 17 116.054 -14.864 4.536 1.00 0.00 C ATOM 274 CG GLN A 17 115.893 -15.968 5.563 1.00 0.00 C ATOM 275 CD GLN A 17 114.493 -16.538 5.587 1.00 0.00 C ATOM 276 OE1 GLN A 17 114.184 -17.485 4.867 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.639 -15.970 6.417 1.00 0.00 N ATOM 0 H GLN A 17 116.996 -13.288 6.184 1.00 0.00 H new ATOM 0 HA GLN A 17 118.172 -15.186 4.453 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.388 -14.040 4.790 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.743 -15.236 3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 17 116.603 -16.766 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 17 116.140 -15.579 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 17 113.937 -15.186 6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 17 112.681 -16.315 6.478 1.00 0.00 H new ATOM 286 N GLN A 18 117.430 -12.291 3.151 1.00 0.00 N ATOM 287 CA GLN A 18 117.594 -11.469 1.962 1.00 0.00 C ATOM 288 C GLN A 18 119.077 -11.332 1.617 1.00 0.00 C ATOM 289 O GLN A 18 119.447 -11.327 0.445 1.00 0.00 O ATOM 290 CB GLN A 18 116.957 -10.093 2.172 1.00 0.00 C ATOM 291 CG GLN A 18 116.844 -9.268 0.898 1.00 0.00 C ATOM 292 CD GLN A 18 116.000 -9.944 -0.168 1.00 0.00 C ATOM 293 OE1 GLN A 18 115.082 -10.700 0.138 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.304 -9.673 -1.427 1.00 0.00 N ATOM 0 H GLN A 18 117.112 -11.784 3.977 1.00 0.00 H new ATOM 0 HA GLN A 18 117.089 -11.954 1.127 1.00 0.00 H new ATOM 0 HB2 GLN A 18 115.962 -10.225 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.546 -9.538 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 18 116.410 -8.297 1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 18 117.842 -9.082 0.501 1.00 0.00 H new ATOM 0 HE21 GLN A 18 117.074 -9.039 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.768 -10.098 -2.184 1.00 0.00 H new ATOM 303 N VAL A 19 119.921 -11.245 2.645 1.00 0.00 N ATOM 304 CA VAL A 19 121.370 -11.164 2.454 1.00 0.00 C ATOM 305 C VAL A 19 121.901 -12.438 1.803 1.00 0.00 C ATOM 306 O VAL A 19 122.769 -12.394 0.929 1.00 0.00 O ATOM 307 CB VAL A 19 122.111 -10.933 3.792 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.617 -10.865 3.576 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.616 -9.669 4.470 1.00 0.00 C ATOM 0 H VAL A 19 119.626 -11.229 3.621 1.00 0.00 H new ATOM 0 HA VAL A 19 121.557 -10.312 1.800 1.00 0.00 H new ATOM 0 HB VAL A 19 121.897 -11.780 4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.115 -10.702 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.965 -11.802 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.851 -10.042 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.151 -9.526 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.793 -8.813 3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.548 -9.758 4.671 1.00 0.00 H new ATOM 319 N ALA A 20 121.359 -13.577 2.222 1.00 0.00 N ATOM 320 CA ALA A 20 121.743 -14.864 1.652 1.00 0.00 C ATOM 321 C ALA A 20 121.260 -14.972 0.209 1.00 0.00 C ATOM 322 O ALA A 20 121.730 -15.809 -0.565 1.00 0.00 O ATOM 323 CB ALA A 20 121.184 -16.000 2.494 1.00 0.00 C ATOM 0 H ALA A 20 120.652 -13.635 2.955 1.00 0.00 H new ATOM 0 HA ALA A 20 122.831 -14.938 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 20 121.478 -16.955 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 20 121.577 -15.928 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 120.096 -15.932 2.520 1.00 0.00 H new ATOM 329 N LYS A 21 120.319 -14.110 -0.141 1.00 0.00 N ATOM 330 CA LYS A 21 119.784 -14.046 -1.490 1.00 0.00 C ATOM 331 C LYS A 21 120.333 -12.824 -2.218 1.00 0.00 C ATOM 332 O LYS A 21 119.760 -12.375 -3.210 1.00 0.00 O ATOM 333 CB LYS A 21 118.257 -13.984 -1.439 1.00 0.00 C ATOM 334 CG LYS A 21 117.615 -15.266 -0.941 1.00 0.00 C ATOM 335 CD LYS A 21 116.141 -15.068 -0.633 1.00 0.00 C ATOM 336 CE LYS A 21 115.431 -16.392 -0.408 1.00 0.00 C ATOM 337 NZ LYS A 21 115.341 -17.189 -1.660 1.00 0.00 N ATOM 0 H LYS A 21 119.905 -13.435 0.502 1.00 0.00 H new ATOM 0 HA LYS A 21 120.087 -14.941 -2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.956 -13.161 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.877 -13.760 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.729 -16.047 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 118.132 -15.609 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 21 116.035 -14.443 0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.665 -14.535 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.963 -16.966 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 21 114.429 -16.206 -0.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 114.644 -17.951 -1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 115.045 -16.572 -2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 116.271 -17.602 -1.876 1.00 0.00 H new ATOM 351 N GLY A 22 121.453 -12.302 -1.722 1.00 0.00 N ATOM 352 CA GLY A 22 122.059 -11.117 -2.304 1.00 0.00 C ATOM 353 C GLY A 22 122.401 -11.288 -3.771 1.00 0.00 C ATOM 354 O GLY A 22 122.178 -10.386 -4.574 1.00 0.00 O ATOM 0 H GLY A 22 121.955 -12.683 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.377 -10.274 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.966 -10.870 -1.751 1.00 0.00 H new ATOM 358 N ALA A 23 122.934 -12.446 -4.122 1.00 0.00 N ATOM 359 CA ALA A 23 123.292 -12.733 -5.504 1.00 0.00 C ATOM 360 C ALA A 23 122.172 -13.476 -6.227 1.00 0.00 C ATOM 361 O ALA A 23 122.345 -13.921 -7.358 1.00 0.00 O ATOM 362 CB ALA A 23 124.579 -13.541 -5.557 1.00 0.00 C ATOM 0 H ALA A 23 123.129 -13.205 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 23 123.446 -11.782 -6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.836 -13.749 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.384 -12.973 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 23 124.441 -14.481 -5.022 1.00 0.00 H new ATOM 368 N ALA A 24 121.028 -13.609 -5.571 1.00 0.00 N ATOM 369 CA ALA A 24 119.905 -14.339 -6.146 1.00 0.00 C ATOM 370 C ALA A 24 118.767 -13.394 -6.516 1.00 0.00 C ATOM 371 O ALA A 24 118.397 -13.280 -7.686 1.00 0.00 O ATOM 372 CB ALA A 24 119.417 -15.408 -5.176 1.00 0.00 C ATOM 0 H ALA A 24 120.852 -13.223 -4.643 1.00 0.00 H new ATOM 0 HA ALA A 24 120.248 -14.825 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.578 -15.945 -5.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 120.227 -16.107 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 24 119.097 -14.937 -4.247 1.00 0.00 H new ATOM 378 N GLY A 25 118.223 -12.713 -5.517 1.00 0.00 N ATOM 379 CA GLY A 25 117.116 -11.807 -5.745 1.00 0.00 C ATOM 380 C GLY A 25 115.771 -12.467 -5.525 1.00 0.00 C ATOM 381 O GLY A 25 115.614 -13.671 -5.750 1.00 0.00 O ATOM 0 H GLY A 25 118.531 -12.773 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.210 -10.949 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 25 117.167 -11.425 -6.765 1.00 0.00 H new ATOM 385 N GLU A 26 114.806 -11.677 -5.086 1.00 0.00 N ATOM 386 CA GLU A 26 113.454 -12.163 -4.830 1.00 0.00 C ATOM 387 C GLU A 26 112.432 -11.265 -5.518 1.00 0.00 C ATOM 388 O GLU A 26 112.666 -10.064 -5.681 1.00 0.00 O ATOM 389 CB GLU A 26 113.165 -12.206 -3.325 1.00 0.00 C ATOM 390 CG GLU A 26 113.893 -13.312 -2.577 1.00 0.00 C ATOM 391 CD GLU A 26 113.391 -14.700 -2.932 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.195 -14.982 -2.706 1.00 0.00 O ATOM 393 OE2 GLU A 26 114.193 -15.520 -3.428 1.00 0.00 O ATOM 0 H GLU A 26 114.933 -10.683 -4.896 1.00 0.00 H new ATOM 0 HA GLU A 26 113.378 -13.174 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.439 -11.246 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 26 112.092 -12.329 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 26 114.959 -13.250 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 26 113.779 -13.154 -1.505 1.00 0.00 H new ATOM 400 N ALA A 27 111.305 -11.846 -5.903 1.00 0.00 N ATOM 401 CA ALA A 27 110.250 -11.101 -6.573 1.00 0.00 C ATOM 402 C ALA A 27 109.372 -10.377 -5.560 1.00 0.00 C ATOM 403 O ALA A 27 108.623 -11.001 -4.808 1.00 0.00 O ATOM 404 CB ALA A 27 109.412 -12.032 -7.436 1.00 0.00 C ATOM 0 H ALA A 27 111.098 -12.835 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 27 110.714 -10.353 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.627 -11.461 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.047 -12.502 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.961 -12.801 -6.809 1.00 0.00 H new ATOM 410 N TRP A 28 109.475 -9.058 -5.538 1.00 0.00 N ATOM 411 CA TRP A 28 108.726 -8.254 -4.590 1.00 0.00 C ATOM 412 C TRP A 28 107.329 -7.967 -5.128 1.00 0.00 C ATOM 413 O TRP A 28 107.096 -6.950 -5.784 1.00 0.00 O ATOM 414 CB TRP A 28 109.471 -6.948 -4.292 1.00 0.00 C ATOM 415 CG TRP A 28 108.911 -6.184 -3.127 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.175 -5.034 -3.172 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.043 -6.521 -1.739 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.846 -4.634 -1.898 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.366 -5.532 -1.003 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.668 -7.566 -1.051 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.297 -5.556 0.388 1.00 0.00 C ATOM 422 CZ3 TRP A 28 109.601 -7.586 0.330 1.00 0.00 C ATOM 423 CH2 TRP A 28 108.919 -6.588 1.036 1.00 0.00 C ATOM 0 H TRP A 28 110.072 -8.522 -6.168 1.00 0.00 H new ATOM 0 HA TRP A 28 108.628 -8.812 -3.659 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.519 -7.175 -4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 28 109.442 -6.314 -5.178 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.893 -4.515 -4.076 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.303 -3.804 -1.658 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.193 -8.342 -1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 107.771 -4.788 0.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.083 -8.385 0.873 1.00 0.00 H new ATOM 0 HH2 TRP A 28 108.883 -6.634 2.114 1.00 0.00 H new ATOM 434 N THR A 29 106.419 -8.897 -4.889 1.00 0.00 N ATOM 435 CA THR A 29 105.030 -8.727 -5.270 1.00 0.00 C ATOM 436 C THR A 29 104.193 -8.413 -4.028 1.00 0.00 C ATOM 437 O THR A 29 104.738 -8.221 -2.937 1.00 0.00 O ATOM 438 CB THR A 29 104.482 -9.983 -6.004 1.00 0.00 C ATOM 439 OG1 THR A 29 103.104 -9.813 -6.352 1.00 0.00 O ATOM 440 CG2 THR A 29 104.645 -11.238 -5.163 1.00 0.00 C ATOM 0 H THR A 29 106.622 -9.784 -4.429 1.00 0.00 H new ATOM 0 HA THR A 29 104.962 -7.892 -5.968 1.00 0.00 H new ATOM 0 HB THR A 29 105.068 -10.100 -6.916 1.00 0.00 H new ATOM 0 HG1 THR A 29 102.654 -10.684 -6.342 1.00 0.00 H new ATOM 0 HG21 THR A 29 104.251 -12.095 -5.709 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.702 -11.398 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 29 104.099 -11.122 -4.227 1.00 0.00 H new ATOM 448 N GLY A 30 102.882 -8.357 -4.188 1.00 0.00 N ATOM 449 CA GLY A 30 102.016 -8.005 -3.087 1.00 0.00 C ATOM 450 C GLY A 30 101.757 -6.517 -3.026 1.00 0.00 C ATOM 451 O GLY A 30 101.537 -5.960 -1.949 1.00 0.00 O ATOM 0 H GLY A 30 102.400 -8.550 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 30 101.068 -8.534 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 30 102.467 -8.333 -2.151 1.00 0.00 H new ATOM 455 N VAL A 31 101.815 -5.863 -4.179 1.00 0.00 N ATOM 456 CA VAL A 31 101.486 -4.447 -4.267 1.00 0.00 C ATOM 457 C VAL A 31 99.980 -4.256 -4.144 1.00 0.00 C ATOM 458 O VAL A 31 99.219 -4.535 -5.069 1.00 0.00 O ATOM 459 CB VAL A 31 102.009 -3.803 -5.573 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.510 -3.585 -5.490 1.00 0.00 C ATOM 461 CG2 VAL A 31 101.674 -4.657 -6.788 1.00 0.00 C ATOM 0 H VAL A 31 102.086 -6.290 -5.065 1.00 0.00 H new ATOM 0 HA VAL A 31 101.985 -3.941 -3.441 1.00 0.00 H new ATOM 0 HB VAL A 31 101.512 -2.840 -5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 31 103.864 -3.131 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.736 -2.924 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.009 -4.543 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 31 102.056 -4.175 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 31 102.133 -5.640 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 31 100.593 -4.769 -6.867 1.00 0.00 H new ATOM 471 N ARG A 32 99.556 -3.795 -2.982 1.00 0.00 N ATOM 472 CA ARG A 32 98.141 -3.719 -2.666 1.00 0.00 C ATOM 473 C ARG A 32 97.615 -2.300 -2.839 1.00 0.00 C ATOM 474 O ARG A 32 96.457 -2.008 -2.536 1.00 0.00 O ATOM 475 CB ARG A 32 97.908 -4.254 -1.251 1.00 0.00 C ATOM 476 CG ARG A 32 98.219 -5.740 -1.147 1.00 0.00 C ATOM 477 CD ARG A 32 98.339 -6.219 0.290 1.00 0.00 C ATOM 478 NE ARG A 32 98.659 -7.650 0.350 1.00 0.00 N ATOM 479 CZ ARG A 32 99.885 -8.138 0.571 1.00 0.00 C ATOM 480 NH1 ARG A 32 100.902 -7.321 0.806 1.00 0.00 N ATOM 481 NH2 ARG A 32 100.089 -9.449 0.568 1.00 0.00 N ATOM 0 H ARG A 32 100.173 -3.467 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 32 97.580 -4.342 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 32 98.532 -3.703 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.871 -4.079 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 32 97.435 -6.306 -1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 32 99.150 -5.949 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 32 99.114 -5.649 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 32 97.404 -6.031 0.818 1.00 0.00 H new ATOM 0 HE ARG A 32 97.898 -8.315 0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 32 100.753 -6.312 0.819 1.00 0.00 H new ATOM 0 HH12 ARG A 32 101.834 -7.701 0.974 1.00 0.00 H new ATOM 0 HH21 ARG A 32 99.311 -10.086 0.397 1.00 0.00 H new ATOM 0 HH22 ARG A 32 101.024 -9.820 0.737 1.00 0.00 H new ATOM 495 N ASN A 33 98.478 -1.418 -3.317 1.00 0.00 N ATOM 496 CA ASN A 33 98.056 -0.099 -3.761 1.00 0.00 C ATOM 497 C ASN A 33 98.621 0.189 -5.142 1.00 0.00 C ATOM 498 O ASN A 33 99.727 -0.239 -5.474 1.00 0.00 O ATOM 499 CB ASN A 33 98.451 1.004 -2.772 1.00 0.00 C ATOM 500 CG ASN A 33 99.930 1.044 -2.457 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.690 1.747 -3.115 1.00 0.00 O ATOM 502 ND2 ASN A 33 100.342 0.310 -1.434 1.00 0.00 N ATOM 0 H ASN A 33 99.479 -1.593 -3.408 1.00 0.00 H new ATOM 0 HA ASN A 33 96.967 -0.101 -3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.150 1.969 -3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 33 97.896 0.863 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 33 101.326 0.315 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.675 -0.260 -0.914 1.00 0.00 H new ATOM 509 N HIS A 34 97.857 0.911 -5.948 1.00 0.00 N ATOM 510 CA HIS A 34 98.243 1.189 -7.326 1.00 0.00 C ATOM 511 C HIS A 34 99.326 2.258 -7.392 1.00 0.00 C ATOM 512 O HIS A 34 100.053 2.352 -8.377 1.00 0.00 O ATOM 513 CB HIS A 34 97.029 1.614 -8.158 1.00 0.00 C ATOM 514 CG HIS A 34 96.056 0.502 -8.419 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.932 -0.115 -9.644 1.00 0.00 N ATOM 516 CD2 HIS A 34 95.161 -0.106 -7.605 1.00 0.00 C ATOM 517 CE1 HIS A 34 95.008 -1.053 -9.571 1.00 0.00 C ATOM 518 NE2 HIS A 34 94.524 -1.069 -8.346 1.00 0.00 N ATOM 0 H HIS A 34 96.963 1.317 -5.672 1.00 0.00 H new ATOM 0 HA HIS A 34 98.648 0.268 -7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.512 2.423 -7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.375 2.013 -9.111 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.982 0.124 -6.565 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.700 -1.699 -10.380 1.00 0.00 H new ATOM 0 HE2 HIS A 34 93.795 -1.695 -8.004 1.00 0.00 H new ATOM 527 N SER A 35 99.440 3.053 -6.336 1.00 0.00 N ATOM 528 CA SER A 35 100.463 4.087 -6.282 1.00 0.00 C ATOM 529 C SER A 35 101.849 3.444 -6.252 1.00 0.00 C ATOM 530 O SER A 35 102.761 3.871 -6.966 1.00 0.00 O ATOM 531 CB SER A 35 100.256 4.986 -5.059 1.00 0.00 C ATOM 532 OG SER A 35 101.115 6.114 -5.096 1.00 0.00 O ATOM 0 H SER A 35 98.841 3.002 -5.512 1.00 0.00 H new ATOM 0 HA SER A 35 100.384 4.709 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 35 99.218 5.318 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 35 100.442 4.415 -4.150 1.00 0.00 H new ATOM 0 HG SER A 35 100.959 6.670 -4.304 1.00 0.00 H new ATOM 538 N ALA A 36 101.997 2.401 -5.438 1.00 0.00 N ATOM 539 CA ALA A 36 103.242 1.649 -5.374 1.00 0.00 C ATOM 540 C ALA A 36 103.537 0.997 -6.713 1.00 0.00 C ATOM 541 O ALA A 36 104.690 0.935 -7.135 1.00 0.00 O ATOM 542 CB ALA A 36 103.185 0.595 -4.279 1.00 0.00 C ATOM 0 H ALA A 36 101.267 2.059 -4.813 1.00 0.00 H new ATOM 0 HA ALA A 36 104.046 2.346 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.127 0.047 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.019 1.079 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.368 -0.098 -4.483 1.00 0.00 H new ATOM 548 N LYS A 37 102.488 0.525 -7.386 1.00 0.00 N ATOM 549 CA LYS A 37 102.650 -0.083 -8.706 1.00 0.00 C ATOM 550 C LYS A 37 103.282 0.912 -9.678 1.00 0.00 C ATOM 551 O LYS A 37 104.250 0.592 -10.364 1.00 0.00 O ATOM 552 CB LYS A 37 101.309 -0.570 -9.275 1.00 0.00 C ATOM 553 CG LYS A 37 101.457 -1.243 -10.633 1.00 0.00 C ATOM 554 CD LYS A 37 100.118 -1.575 -11.274 1.00 0.00 C ATOM 555 CE LYS A 37 100.316 -2.163 -12.665 1.00 0.00 C ATOM 556 NZ LYS A 37 99.032 -2.452 -13.362 1.00 0.00 N ATOM 0 H LYS A 37 101.527 0.551 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 37 103.306 -0.945 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.855 -1.271 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.628 0.277 -9.366 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.021 -0.589 -11.298 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.037 -2.159 -10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.576 -2.284 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 37 99.507 -0.675 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.902 -1.468 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 37 100.895 -3.083 -12.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.219 -2.655 -14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 98.576 -3.276 -12.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.403 -1.627 -13.287 1.00 0.00 H new ATOM 570 N LEU A 38 102.739 2.125 -9.713 1.00 0.00 N ATOM 571 CA LEU A 38 103.228 3.165 -10.618 1.00 0.00 C ATOM 572 C LEU A 38 104.682 3.529 -10.318 1.00 0.00 C ATOM 573 O LEU A 38 105.452 3.841 -11.227 1.00 0.00 O ATOM 574 CB LEU A 38 102.341 4.412 -10.540 1.00 0.00 C ATOM 575 CG LEU A 38 101.168 4.453 -11.530 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.301 3.207 -11.418 1.00 0.00 C ATOM 577 CD2 LEU A 38 100.330 5.703 -11.301 1.00 0.00 C ATOM 0 H LEU A 38 101.958 2.414 -9.124 1.00 0.00 H new ATOM 0 HA LEU A 38 103.183 2.766 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.943 4.490 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.964 5.291 -10.706 1.00 0.00 H new ATOM 0 HG LEU A 38 101.581 4.481 -12.538 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.480 3.269 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.903 2.324 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 38 99.898 3.134 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.502 5.720 -12.009 1.00 0.00 H new ATOM 0 HD22 LEU A 38 99.938 5.697 -10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 38 100.950 6.588 -11.446 1.00 0.00 H new ATOM 589 N HIS A 39 105.059 3.479 -9.045 1.00 0.00 N ATOM 590 CA HIS A 39 106.441 3.749 -8.655 1.00 0.00 C ATOM 591 C HIS A 39 107.338 2.577 -9.029 1.00 0.00 C ATOM 592 O HIS A 39 108.497 2.759 -9.389 1.00 0.00 O ATOM 593 CB HIS A 39 106.553 4.029 -7.149 1.00 0.00 C ATOM 594 CG HIS A 39 105.883 5.295 -6.702 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.113 6.519 -7.289 1.00 0.00 N ATOM 596 CD2 HIS A 39 104.987 5.521 -5.711 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.394 7.441 -6.681 1.00 0.00 C ATOM 598 NE2 HIS A 39 104.702 6.863 -5.720 1.00 0.00 N ATOM 0 H HIS A 39 104.434 3.256 -8.270 1.00 0.00 H new ATOM 0 HA HIS A 39 106.768 4.638 -9.194 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.120 3.191 -6.603 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.608 4.075 -6.878 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.574 4.783 -5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.375 8.492 -6.928 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.059 7.337 -5.086 1.00 0.00 H new ATOM 607 N MET A 40 106.788 1.375 -8.955 1.00 0.00 N ATOM 608 CA MET A 40 107.532 0.171 -9.291 1.00 0.00 C ATOM 609 C MET A 40 107.796 0.091 -10.793 1.00 0.00 C ATOM 610 O MET A 40 108.850 -0.372 -11.222 1.00 0.00 O ATOM 611 CB MET A 40 106.773 -1.065 -8.815 1.00 0.00 C ATOM 612 CG MET A 40 107.436 -2.373 -9.203 1.00 0.00 C ATOM 613 SD MET A 40 106.589 -3.807 -8.522 1.00 0.00 S ATOM 614 CE MET A 40 106.923 -3.612 -6.775 1.00 0.00 C ATOM 0 H MET A 40 105.825 1.207 -8.664 1.00 0.00 H new ATOM 0 HA MET A 40 108.496 0.211 -8.783 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.675 -1.025 -7.730 1.00 0.00 H new ATOM 0 HB3 MET A 40 105.764 -1.043 -9.227 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.463 -2.454 -10.290 1.00 0.00 H new ATOM 0 HG3 MET A 40 108.470 -2.368 -8.858 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.820 -4.575 -6.275 1.00 0.00 H new ATOM 0 HE2 MET A 40 107.938 -3.239 -6.638 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.215 -2.903 -6.346 1.00 0.00 H new ATOM 624 N VAL A 41 106.840 0.557 -11.590 1.00 0.00 N ATOM 625 CA VAL A 41 107.000 0.583 -13.042 1.00 0.00 C ATOM 626 C VAL A 41 108.070 1.604 -13.446 1.00 0.00 C ATOM 627 O VAL A 41 108.648 1.530 -14.532 1.00 0.00 O ATOM 628 CB VAL A 41 105.660 0.906 -13.754 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.827 0.908 -15.270 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.581 -0.087 -13.343 1.00 0.00 C ATOM 0 H VAL A 41 105.947 0.921 -11.257 1.00 0.00 H new ATOM 0 HA VAL A 41 107.319 -0.410 -13.357 1.00 0.00 H new ATOM 0 HB VAL A 41 105.352 1.905 -13.446 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.871 1.137 -15.741 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.562 1.661 -15.554 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.168 -0.073 -15.600 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.649 0.157 -13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.891 -1.095 -13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.429 -0.034 -12.265 1.00 0.00 H new ATOM 640 N ALA A 42 108.346 2.546 -12.551 1.00 0.00 N ATOM 641 CA ALA A 42 109.357 3.567 -12.800 1.00 0.00 C ATOM 642 C ALA A 42 110.749 3.049 -12.451 1.00 0.00 C ATOM 643 O ALA A 42 111.758 3.657 -12.815 1.00 0.00 O ATOM 644 CB ALA A 42 109.041 4.827 -12.009 1.00 0.00 C ATOM 0 H ALA A 42 107.883 2.624 -11.645 1.00 0.00 H new ATOM 0 HA ALA A 42 109.344 3.811 -13.862 1.00 0.00 H new ATOM 0 HB1 ALA A 42 109.804 5.580 -12.205 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.066 5.211 -12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.026 4.594 -10.944 1.00 0.00 H new ATOM 650 N MET A 43 110.791 1.923 -11.747 1.00 0.00 N ATOM 651 CA MET A 43 112.053 1.308 -11.349 1.00 0.00 C ATOM 652 C MET A 43 112.812 0.768 -12.553 1.00 0.00 C ATOM 653 O MET A 43 112.224 0.196 -13.477 1.00 0.00 O ATOM 654 CB MET A 43 111.816 0.170 -10.357 1.00 0.00 C ATOM 655 CG MET A 43 111.298 0.626 -9.007 1.00 0.00 C ATOM 656 SD MET A 43 110.982 -0.754 -7.892 1.00 0.00 S ATOM 657 CE MET A 43 110.581 0.118 -6.385 1.00 0.00 C ATOM 0 H MET A 43 109.962 1.415 -11.439 1.00 0.00 H new ATOM 0 HA MET A 43 112.651 2.086 -10.874 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.104 -0.533 -10.789 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.750 -0.372 -10.212 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.024 1.300 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.379 1.195 -9.147 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.744 -0.375 -5.891 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.446 0.115 -5.722 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.308 1.147 -6.621 1.00 0.00 H new ATOM 667 N ARG A 44 114.120 0.957 -12.532 1.00 0.00 N ATOM 668 CA ARG A 44 114.999 0.456 -13.575 1.00 0.00 C ATOM 669 C ARG A 44 116.092 -0.411 -12.947 1.00 0.00 C ATOM 670 O ARG A 44 116.340 -0.331 -11.746 1.00 0.00 O ATOM 671 CB ARG A 44 115.604 1.641 -14.337 1.00 0.00 C ATOM 672 CG ARG A 44 116.473 1.260 -15.526 1.00 0.00 C ATOM 673 CD ARG A 44 116.999 2.496 -16.244 1.00 0.00 C ATOM 674 NE ARG A 44 115.979 3.148 -17.073 1.00 0.00 N ATOM 675 CZ ARG A 44 115.220 4.176 -16.675 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.291 4.624 -15.425 1.00 0.00 N ATOM 677 NH2 ARG A 44 114.381 4.749 -17.528 1.00 0.00 N ATOM 0 H ARG A 44 114.604 1.463 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 44 114.437 -0.158 -14.279 1.00 0.00 H new ATOM 0 HB2 ARG A 44 114.794 2.281 -14.687 1.00 0.00 H new ATOM 0 HB3 ARG A 44 116.201 2.234 -13.644 1.00 0.00 H new ATOM 0 HG2 ARG A 44 117.310 0.650 -15.187 1.00 0.00 H new ATOM 0 HG3 ARG A 44 115.895 0.651 -16.221 1.00 0.00 H new ATOM 0 HD2 ARG A 44 117.372 3.208 -15.507 1.00 0.00 H new ATOM 0 HD3 ARG A 44 117.845 2.214 -16.871 1.00 0.00 H new ATOM 0 HE ARG A 44 115.839 2.793 -18.019 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.928 4.184 -14.761 1.00 0.00 H new ATOM 0 HH12 ARG A 44 114.709 5.408 -15.130 1.00 0.00 H new ATOM 0 HH21 ARG A 44 114.315 4.406 -18.486 1.00 0.00 H new ATOM 0 HH22 ARG A 44 113.802 5.532 -17.226 1.00 0.00 H new ATOM 691 N ARG A 45 116.727 -1.253 -13.747 1.00 0.00 N ATOM 692 CA ARG A 45 117.783 -2.122 -13.247 1.00 0.00 C ATOM 693 C ARG A 45 118.988 -1.291 -12.807 1.00 0.00 C ATOM 694 O ARG A 45 119.470 -0.441 -13.561 1.00 0.00 O ATOM 695 CB ARG A 45 118.186 -3.125 -14.328 1.00 0.00 C ATOM 696 CG ARG A 45 119.034 -4.271 -13.812 1.00 0.00 C ATOM 697 CD ARG A 45 119.238 -5.332 -14.880 1.00 0.00 C ATOM 698 NE ARG A 45 117.968 -5.793 -15.448 1.00 0.00 N ATOM 699 CZ ARG A 45 117.842 -6.866 -16.226 1.00 0.00 C ATOM 700 NH1 ARG A 45 118.916 -7.558 -16.593 1.00 0.00 N ATOM 701 NH2 ARG A 45 116.638 -7.223 -16.658 1.00 0.00 N ATOM 0 H ARG A 45 116.531 -1.354 -14.743 1.00 0.00 H new ATOM 0 HA ARG A 45 117.412 -2.672 -12.382 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.285 -3.530 -14.789 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.736 -2.601 -15.110 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.002 -3.891 -13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.555 -4.717 -12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.866 -4.930 -15.675 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.772 -6.180 -14.451 1.00 0.00 H new ATOM 0 HE ARG A 45 117.127 -5.257 -15.234 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.842 -7.268 -16.278 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.814 -8.379 -17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 45 115.818 -6.676 -16.393 1.00 0.00 H new ATOM 0 HH22 ARG A 45 116.533 -8.044 -17.254 1.00 0.00 H new ATOM 715 N GLY A 46 119.463 -1.520 -11.587 1.00 0.00 N ATOM 716 CA GLY A 46 120.540 -0.716 -11.056 1.00 0.00 C ATOM 717 C GLY A 46 120.021 0.387 -10.160 1.00 0.00 C ATOM 718 O GLY A 46 120.782 1.228 -9.681 1.00 0.00 O ATOM 0 H GLY A 46 119.120 -2.248 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.225 -1.350 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 46 121.109 -0.281 -11.877 1.00 0.00 H new ATOM 722 N ASP A 47 118.710 0.400 -9.957 1.00 0.00 N ATOM 723 CA ASP A 47 118.095 1.334 -9.028 1.00 0.00 C ATOM 724 C ASP A 47 118.300 0.856 -7.607 1.00 0.00 C ATOM 725 O ASP A 47 118.407 -0.344 -7.355 1.00 0.00 O ATOM 726 CB ASP A 47 116.604 1.511 -9.314 1.00 0.00 C ATOM 727 CG ASP A 47 116.338 2.463 -10.464 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.314 2.991 -11.055 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.154 2.697 -10.772 1.00 0.00 O ATOM 0 H ASP A 47 118.054 -0.226 -10.424 1.00 0.00 H new ATOM 0 HA ASP A 47 118.575 2.304 -9.158 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.164 0.540 -9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.108 1.883 -8.418 1.00 0.00 H new ATOM 734 N ARG A 48 118.348 1.789 -6.682 1.00 0.00 N ATOM 735 CA ARG A 48 118.727 1.482 -5.317 1.00 0.00 C ATOM 736 C ARG A 48 117.579 1.787 -4.366 1.00 0.00 C ATOM 737 O ARG A 48 116.977 2.852 -4.438 1.00 0.00 O ATOM 738 CB ARG A 48 119.956 2.303 -4.943 1.00 0.00 C ATOM 739 CG ARG A 48 121.118 2.145 -5.918 1.00 0.00 C ATOM 740 CD ARG A 48 121.797 0.796 -5.767 1.00 0.00 C ATOM 741 NE ARG A 48 122.446 0.673 -4.466 1.00 0.00 N ATOM 742 CZ ARG A 48 123.331 -0.269 -4.155 1.00 0.00 C ATOM 743 NH1 ARG A 48 123.677 -1.191 -5.047 1.00 0.00 N ATOM 744 NH2 ARG A 48 123.879 -0.287 -2.948 1.00 0.00 N ATOM 0 H ARG A 48 118.129 2.771 -6.849 1.00 0.00 H new ATOM 0 HA ARG A 48 118.961 0.420 -5.237 1.00 0.00 H new ATOM 0 HB2 ARG A 48 119.677 3.355 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.287 2.012 -3.946 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.754 2.257 -6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 48 121.845 2.939 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 48 121.061 0.001 -5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.536 0.667 -6.558 1.00 0.00 H new ATOM 0 HE ARG A 48 122.205 1.355 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 48 123.263 -1.180 -5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 48 124.357 -1.910 -4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 48 123.621 0.421 -2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 48 124.558 -1.009 -2.707 1.00 0.00 H new ATOM 758 N ALA A 49 117.285 0.856 -3.476 1.00 0.00 N ATOM 759 CA ALA A 49 116.182 1.019 -2.546 1.00 0.00 C ATOM 760 C ALA A 49 116.639 0.808 -1.107 1.00 0.00 C ATOM 761 O ALA A 49 117.561 0.037 -0.847 1.00 0.00 O ATOM 762 CB ALA A 49 115.057 0.054 -2.890 1.00 0.00 C ATOM 0 H ALA A 49 117.795 -0.022 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 49 115.812 2.041 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.236 0.186 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.703 0.254 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.425 -0.970 -2.830 1.00 0.00 H new ATOM 768 N PHE A 50 115.989 1.500 -0.180 1.00 0.00 N ATOM 769 CA PHE A 50 116.275 1.335 1.239 1.00 0.00 C ATOM 770 C PHE A 50 115.397 0.246 1.831 1.00 0.00 C ATOM 771 O PHE A 50 114.186 0.226 1.612 1.00 0.00 O ATOM 772 CB PHE A 50 116.032 2.638 2.009 1.00 0.00 C ATOM 773 CG PHE A 50 117.151 3.636 1.923 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.461 3.249 2.158 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.890 4.967 1.633 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.490 4.169 2.102 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.917 5.891 1.573 1.00 0.00 C ATOM 778 CZ PHE A 50 119.218 5.491 1.808 1.00 0.00 C ATOM 0 H PHE A 50 115.259 2.182 -0.386 1.00 0.00 H new ATOM 0 HA PHE A 50 117.325 1.058 1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.120 3.102 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.858 2.397 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.680 2.217 2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.874 5.285 1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.506 3.855 2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.702 6.924 1.343 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.022 6.211 1.762 1.00 0.00 H new ATOM 788 N TYR A 51 116.016 -0.658 2.572 1.00 0.00 N ATOM 789 CA TYR A 51 115.287 -1.720 3.241 1.00 0.00 C ATOM 790 C TYR A 51 114.894 -1.266 4.645 1.00 0.00 C ATOM 791 O TYR A 51 115.713 -1.268 5.568 1.00 0.00 O ATOM 792 CB TYR A 51 116.139 -2.992 3.299 1.00 0.00 C ATOM 793 CG TYR A 51 115.406 -4.198 3.835 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.660 -5.012 2.993 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.463 -4.526 5.182 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.990 -6.117 3.479 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.798 -5.627 5.676 1.00 0.00 C ATOM 798 CZ TYR A 51 114.063 -6.422 4.823 1.00 0.00 C ATOM 799 OH TYR A 51 113.395 -7.518 5.322 1.00 0.00 O ATOM 0 H TYR A 51 117.024 -0.677 2.725 1.00 0.00 H new ATOM 0 HA TYR A 51 114.380 -1.945 2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.505 -3.218 2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.013 -2.804 3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.603 -4.777 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 51 116.039 -3.908 5.855 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.412 -6.739 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.852 -5.866 6.728 1.00 0.00 H new ATOM 0 HH TYR A 51 113.003 -7.294 6.192 1.00 0.00 H new ATOM 809 N TYR A 52 113.644 -0.857 4.786 1.00 0.00 N ATOM 810 CA TYR A 52 113.146 -0.309 6.037 1.00 0.00 C ATOM 811 C TYR A 52 112.161 -1.271 6.697 1.00 0.00 C ATOM 812 O TYR A 52 111.235 -1.771 6.052 1.00 0.00 O ATOM 813 CB TYR A 52 112.482 1.044 5.757 1.00 0.00 C ATOM 814 CG TYR A 52 111.836 1.704 6.957 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.577 2.501 7.819 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.481 1.543 7.215 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.985 3.118 8.905 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.883 2.154 8.300 1.00 0.00 C ATOM 819 CZ TYR A 52 110.639 2.939 9.143 1.00 0.00 C ATOM 820 OH TYR A 52 110.046 3.552 10.223 1.00 0.00 O ATOM 0 H TYR A 52 112.949 -0.895 4.041 1.00 0.00 H new ATOM 0 HA TYR A 52 113.978 -0.168 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.232 1.722 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.724 0.906 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.633 2.641 7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.884 0.930 6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.575 3.738 9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.828 2.017 8.487 1.00 0.00 H new ATOM 0 HH TYR A 52 109.093 3.324 10.246 1.00 0.00 H new ATOM 830 N HIS A 53 112.371 -1.537 7.980 1.00 0.00 N ATOM 831 CA HIS A 53 111.472 -2.401 8.736 1.00 0.00 C ATOM 832 C HIS A 53 110.452 -1.579 9.503 1.00 0.00 C ATOM 833 O HIS A 53 110.805 -0.772 10.357 1.00 0.00 O ATOM 834 CB HIS A 53 112.244 -3.313 9.694 1.00 0.00 C ATOM 835 CG HIS A 53 112.579 -4.649 9.100 1.00 0.00 C ATOM 836 ND1 HIS A 53 113.572 -5.470 9.589 1.00 0.00 N ATOM 837 CD2 HIS A 53 112.025 -5.316 8.059 1.00 0.00 C ATOM 838 CE1 HIS A 53 113.614 -6.582 8.878 1.00 0.00 C ATOM 839 NE2 HIS A 53 112.685 -6.515 7.942 1.00 0.00 N ATOM 0 H HIS A 53 113.155 -1.168 8.519 1.00 0.00 H new ATOM 0 HA HIS A 53 110.947 -3.032 8.019 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.166 -2.815 9.995 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.653 -3.463 10.598 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.180 -5.252 10.378 1.00 0.00 H new ATOM 0 HD2 HIS A 53 111.214 -4.969 7.436 1.00 0.00 H new ATOM 0 HE1 HIS A 53 114.293 -7.407 9.035 1.00 0.00 H new ATOM 848 N SER A 54 109.187 -1.789 9.182 1.00 0.00 N ATOM 849 CA SER A 54 108.101 -1.079 9.836 1.00 0.00 C ATOM 850 C SER A 54 107.689 -1.802 11.116 1.00 0.00 C ATOM 851 O SER A 54 107.899 -3.012 11.241 1.00 0.00 O ATOM 852 CB SER A 54 106.913 -0.962 8.883 1.00 0.00 C ATOM 853 OG SER A 54 107.316 -0.384 7.650 1.00 0.00 O ATOM 0 H SER A 54 108.885 -2.451 8.467 1.00 0.00 H new ATOM 0 HA SER A 54 108.440 -0.078 10.102 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.484 -1.948 8.705 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.133 -0.352 9.339 1.00 0.00 H new ATOM 0 HG SER A 54 108.035 0.262 7.811 1.00 0.00 H new ATOM 859 N ASN A 55 107.109 -1.046 12.051 1.00 0.00 N ATOM 860 CA ASN A 55 106.683 -1.567 13.353 1.00 0.00 C ATOM 861 C ASN A 55 107.880 -1.992 14.195 1.00 0.00 C ATOM 862 O ASN A 55 108.330 -1.249 15.069 1.00 0.00 O ATOM 863 CB ASN A 55 105.697 -2.734 13.200 1.00 0.00 C ATOM 864 CG ASN A 55 104.329 -2.277 12.730 1.00 0.00 C ATOM 865 OD1 ASN A 55 103.894 -1.167 13.038 1.00 0.00 O ATOM 866 ND2 ASN A 55 103.644 -3.124 11.983 1.00 0.00 N ATOM 0 H ASN A 55 106.921 -0.051 11.926 1.00 0.00 H new ATOM 0 HA ASN A 55 106.168 -0.757 13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.100 -3.456 12.490 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.597 -3.249 14.155 1.00 0.00 H new ATOM 0 HD21 ASN A 55 102.719 -2.867 11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 55 104.040 -4.035 11.750 1.00 0.00 H new ATOM 873 N GLU A 56 108.403 -3.176 13.920 1.00 0.00 N ATOM 874 CA GLU A 56 109.570 -3.673 14.624 1.00 0.00 C ATOM 875 C GLU A 56 110.839 -3.093 14.016 1.00 0.00 C ATOM 876 O GLU A 56 111.174 -3.361 12.860 1.00 0.00 O ATOM 877 CB GLU A 56 109.611 -5.201 14.591 1.00 0.00 C ATOM 878 CG GLU A 56 108.560 -5.858 15.470 1.00 0.00 C ATOM 879 CD GLU A 56 108.772 -5.553 16.939 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.655 -6.188 17.559 1.00 0.00 O ATOM 881 OE2 GLU A 56 108.074 -4.671 17.480 1.00 0.00 O ATOM 0 H GLU A 56 108.035 -3.811 13.212 1.00 0.00 H new ATOM 0 HA GLU A 56 109.506 -3.356 15.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.475 -5.537 13.563 1.00 0.00 H new ATOM 0 HB3 GLU A 56 110.599 -5.536 14.908 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.570 -5.515 15.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 108.584 -6.937 15.317 1.00 0.00 H new ATOM 888 N GLY A 57 111.527 -2.283 14.800 1.00 0.00 N ATOM 889 CA GLY A 57 112.739 -1.641 14.347 1.00 0.00 C ATOM 890 C GLY A 57 112.507 -0.189 13.998 1.00 0.00 C ATOM 891 O GLY A 57 113.032 0.707 14.662 1.00 0.00 O ATOM 0 H GLY A 57 111.262 -2.056 15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.500 -1.711 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.125 -2.168 13.474 1.00 0.00 H new ATOM 895 N LYS A 58 111.688 0.037 12.970 1.00 0.00 N ATOM 896 CA LYS A 58 111.438 1.376 12.443 1.00 0.00 C ATOM 897 C LYS A 58 112.753 2.015 12.023 1.00 0.00 C ATOM 898 O LYS A 58 112.989 3.204 12.246 1.00 0.00 O ATOM 899 CB LYS A 58 110.712 2.256 13.465 1.00 0.00 C ATOM 900 CG LYS A 58 109.355 1.712 13.881 1.00 0.00 C ATOM 901 CD LYS A 58 108.517 2.778 14.566 1.00 0.00 C ATOM 902 CE LYS A 58 107.190 2.219 15.051 1.00 0.00 C ATOM 903 NZ LYS A 58 106.287 3.292 15.536 1.00 0.00 N ATOM 0 H LYS A 58 111.181 -0.701 12.482 1.00 0.00 H new ATOM 0 HA LYS A 58 110.788 1.286 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.339 2.362 14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.581 3.253 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.826 1.339 13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.491 0.866 14.554 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.070 3.189 15.411 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.335 3.600 13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.706 1.675 14.240 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.368 1.503 15.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.392 2.873 15.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 106.739 3.795 16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.097 3.961 14.763 1.00 0.00 H new ATOM 917 N GLU A 59 113.595 1.212 11.394 1.00 0.00 N ATOM 918 CA GLU A 59 114.922 1.644 11.004 1.00 0.00 C ATOM 919 C GLU A 59 115.298 1.062 9.647 1.00 0.00 C ATOM 920 O GLU A 59 114.774 0.021 9.233 1.00 0.00 O ATOM 921 CB GLU A 59 115.936 1.210 12.067 1.00 0.00 C ATOM 922 CG GLU A 59 115.951 -0.291 12.311 1.00 0.00 C ATOM 923 CD GLU A 59 116.711 -0.677 13.563 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.931 -0.919 13.477 1.00 0.00 O ATOM 925 OE2 GLU A 59 116.089 -0.750 14.639 1.00 0.00 O ATOM 0 H GLU A 59 113.377 0.248 11.142 1.00 0.00 H new ATOM 0 HA GLU A 59 114.930 2.731 10.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.932 1.531 11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.711 1.720 13.003 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.925 -0.652 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.400 -0.789 11.452 1.00 0.00 H new ATOM 932 N ILE A 60 116.184 1.755 8.949 1.00 0.00 N ATOM 933 CA ILE A 60 116.733 1.262 7.700 1.00 0.00 C ATOM 934 C ILE A 60 118.000 0.477 7.996 1.00 0.00 C ATOM 935 O ILE A 60 118.976 1.034 8.501 1.00 0.00 O ATOM 936 CB ILE A 60 117.054 2.413 6.724 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.805 3.265 6.480 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.588 1.860 5.409 1.00 0.00 C ATOM 939 CD1 ILE A 60 116.048 4.472 5.600 1.00 0.00 C ATOM 0 H ILE A 60 116.539 2.668 9.231 1.00 0.00 H new ATOM 0 HA ILE A 60 115.988 0.623 7.225 1.00 0.00 H new ATOM 0 HB ILE A 60 117.823 3.044 7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 60 115.036 2.643 6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.413 3.601 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.810 2.684 4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.498 1.290 5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.839 1.210 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.117 5.024 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.793 5.118 6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.410 4.145 4.625 1.00 0.00 H new ATOM 951 N VAL A 61 117.980 -0.812 7.706 1.00 0.00 N ATOM 952 CA VAL A 61 119.085 -1.684 8.090 1.00 0.00 C ATOM 953 C VAL A 61 119.977 -2.052 6.908 1.00 0.00 C ATOM 954 O VAL A 61 121.156 -2.362 7.089 1.00 0.00 O ATOM 955 CB VAL A 61 118.582 -2.977 8.771 1.00 0.00 C ATOM 956 CG1 VAL A 61 117.901 -2.657 10.091 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.635 -3.743 7.855 1.00 0.00 C ATOM 0 H VAL A 61 117.220 -1.278 7.211 1.00 0.00 H new ATOM 0 HA VAL A 61 119.679 -1.111 8.802 1.00 0.00 H new ATOM 0 HB VAL A 61 119.447 -3.610 8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.554 -3.580 10.555 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.609 -2.161 10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.051 -1.999 9.912 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.296 -4.649 8.358 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.775 -3.117 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.156 -4.012 6.936 1.00 0.00 H new ATOM 967 N GLY A 62 119.434 -2.010 5.702 1.00 0.00 N ATOM 968 CA GLY A 62 120.208 -2.433 4.557 1.00 0.00 C ATOM 969 C GLY A 62 119.787 -1.778 3.266 1.00 0.00 C ATOM 970 O GLY A 62 118.778 -1.070 3.213 1.00 0.00 O ATOM 0 H GLY A 62 118.486 -1.695 5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.260 -2.213 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.122 -3.514 4.451 1.00 0.00 H new ATOM 974 N ILE A 63 120.568 -2.022 2.224 1.00 0.00 N ATOM 975 CA ILE A 63 120.308 -1.461 0.912 1.00 0.00 C ATOM 976 C ILE A 63 119.990 -2.566 -0.090 1.00 0.00 C ATOM 977 O ILE A 63 120.706 -3.568 -0.174 1.00 0.00 O ATOM 978 CB ILE A 63 121.523 -0.652 0.408 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.823 0.508 1.362 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.276 -0.141 -1.002 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.070 1.283 1.001 1.00 0.00 C ATOM 0 H ILE A 63 121.398 -2.614 2.267 1.00 0.00 H new ATOM 0 HA ILE A 63 119.450 -0.795 1.001 1.00 0.00 H new ATOM 0 HB ILE A 63 122.392 -1.309 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.972 1.189 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.929 0.117 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.143 0.427 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.111 -0.985 -1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.396 0.503 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.219 2.088 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.932 0.616 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 63 122.960 1.705 0.002 1.00 0.00 H new ATOM 993 N ALA A 64 118.919 -2.379 -0.842 1.00 0.00 N ATOM 994 CA ALA A 64 118.535 -3.328 -1.873 1.00 0.00 C ATOM 995 C ALA A 64 118.716 -2.699 -3.250 1.00 0.00 C ATOM 996 O ALA A 64 118.791 -1.477 -3.373 1.00 0.00 O ATOM 997 CB ALA A 64 117.096 -3.786 -1.664 1.00 0.00 C ATOM 0 H ALA A 64 118.297 -1.575 -0.757 1.00 0.00 H new ATOM 0 HA ALA A 64 119.178 -4.206 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.823 -4.497 -2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.005 -4.265 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.430 -2.924 -1.709 1.00 0.00 H new ATOM 1003 N GLU A 65 118.804 -3.527 -4.278 1.00 0.00 N ATOM 1004 CA GLU A 65 118.975 -3.031 -5.639 1.00 0.00 C ATOM 1005 C GLU A 65 118.007 -3.733 -6.573 1.00 0.00 C ATOM 1006 O GLU A 65 117.736 -4.927 -6.415 1.00 0.00 O ATOM 1007 CB GLU A 65 120.408 -3.260 -6.125 1.00 0.00 C ATOM 1008 CG GLU A 65 120.763 -2.532 -7.409 1.00 0.00 C ATOM 1009 CD GLU A 65 122.230 -2.681 -7.760 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.632 -3.772 -8.218 1.00 0.00 O ATOM 1011 OE2 GLU A 65 122.992 -1.712 -7.563 1.00 0.00 O ATOM 0 H GLU A 65 118.760 -4.543 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 65 118.771 -1.960 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.098 -2.946 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.561 -4.329 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.154 -2.919 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.521 -1.474 -7.305 1.00 0.00 H new ATOM 1018 N ILE A 66 117.484 -2.987 -7.529 1.00 0.00 N ATOM 1019 CA ILE A 66 116.612 -3.548 -8.541 1.00 0.00 C ATOM 1020 C ILE A 66 117.459 -4.193 -9.630 1.00 0.00 C ATOM 1021 O ILE A 66 117.993 -3.506 -10.497 1.00 0.00 O ATOM 1022 CB ILE A 66 115.703 -2.468 -9.174 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.994 -1.649 -8.088 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.683 -3.103 -10.110 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.125 -2.474 -7.161 1.00 0.00 C ATOM 0 H ILE A 66 117.650 -1.985 -7.625 1.00 0.00 H new ATOM 0 HA ILE A 66 115.972 -4.290 -8.064 1.00 0.00 H new ATOM 0 HB ILE A 66 116.333 -1.795 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.744 -1.125 -7.495 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.377 -0.888 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.054 -2.326 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.202 -3.636 -10.906 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.061 -3.802 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.659 -1.822 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.351 -2.977 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.739 -3.218 -6.653 1.00 0.00 H new ATOM 1037 N ILE A 67 117.617 -5.506 -9.563 1.00 0.00 N ATOM 1038 CA ILE A 67 118.442 -6.218 -10.534 1.00 0.00 C ATOM 1039 C ILE A 67 117.604 -6.718 -11.703 1.00 0.00 C ATOM 1040 O ILE A 67 118.127 -7.305 -12.647 1.00 0.00 O ATOM 1041 CB ILE A 67 119.215 -7.390 -9.894 1.00 0.00 C ATOM 1042 CG1 ILE A 67 118.313 -8.184 -8.944 1.00 0.00 C ATOM 1043 CG2 ILE A 67 120.443 -6.869 -9.162 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.967 -9.426 -8.375 1.00 0.00 C ATOM 0 H ILE A 67 117.189 -6.099 -8.852 1.00 0.00 H new ATOM 0 HA ILE A 67 119.175 -5.502 -10.907 1.00 0.00 H new ATOM 0 HB ILE A 67 119.541 -8.064 -10.686 1.00 0.00 H new ATOM 0 HG12 ILE A 67 118.008 -7.537 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 67 117.406 -8.473 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.981 -7.704 -8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 67 121.095 -6.353 -9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 67 120.134 -6.176 -8.380 1.00 0.00 H new ATOM 0 HD11 ILE A 67 118.267 -9.935 -7.712 1.00 0.00 H new ATOM 0 HD12 ILE A 67 119.247 -10.095 -9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.858 -9.144 -7.814 1.00 0.00 H new ATOM 1056 N ARG A 68 116.305 -6.466 -11.620 1.00 0.00 N ATOM 1057 CA ARG A 68 115.362 -6.747 -12.698 1.00 0.00 C ATOM 1058 C ARG A 68 114.155 -5.837 -12.548 1.00 0.00 C ATOM 1059 O ARG A 68 113.505 -5.832 -11.501 1.00 0.00 O ATOM 1060 CB ARG A 68 114.925 -8.217 -12.693 1.00 0.00 C ATOM 1061 CG ARG A 68 115.900 -9.144 -13.401 1.00 0.00 C ATOM 1062 CD ARG A 68 115.669 -10.605 -13.047 1.00 0.00 C ATOM 1063 NE ARG A 68 116.048 -10.904 -11.665 1.00 0.00 N ATOM 1064 CZ ARG A 68 117.164 -11.548 -11.317 1.00 0.00 C ATOM 1065 NH1 ARG A 68 118.034 -11.928 -12.245 1.00 0.00 N ATOM 1066 NH2 ARG A 68 117.419 -11.792 -10.038 1.00 0.00 N ATOM 0 H ARG A 68 115.870 -6.056 -10.794 1.00 0.00 H new ATOM 0 HA ARG A 68 115.854 -6.558 -13.652 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.805 -8.548 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.948 -8.299 -13.169 1.00 0.00 H new ATOM 0 HG2 ARG A 68 115.804 -9.014 -14.479 1.00 0.00 H new ATOM 0 HG3 ARG A 68 116.920 -8.865 -13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 68 114.618 -10.852 -13.195 1.00 0.00 H new ATOM 0 HD3 ARG A 68 116.243 -11.237 -13.725 1.00 0.00 H new ATOM 0 HE ARG A 68 115.419 -10.601 -10.921 1.00 0.00 H new ATOM 0 HH11 ARG A 68 117.851 -11.728 -13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 68 118.886 -12.420 -11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 68 116.762 -11.487 -9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 68 118.272 -12.284 -9.773 1.00 0.00 H new ATOM 1080 N GLU A 69 113.880 -5.050 -13.585 1.00 0.00 N ATOM 1081 CA GLU A 69 112.819 -4.045 -13.543 1.00 0.00 C ATOM 1082 C GLU A 69 111.445 -4.686 -13.381 1.00 0.00 C ATOM 1083 O GLU A 69 111.307 -5.912 -13.397 1.00 0.00 O ATOM 1084 CB GLU A 69 112.814 -3.184 -14.813 1.00 0.00 C ATOM 1085 CG GLU A 69 114.182 -2.689 -15.247 1.00 0.00 C ATOM 1086 CD GLU A 69 114.907 -3.691 -16.118 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.580 -4.585 -15.573 1.00 0.00 O ATOM 1088 OE2 GLU A 69 114.791 -3.594 -17.355 1.00 0.00 O ATOM 0 H GLU A 69 114.382 -5.089 -14.472 1.00 0.00 H new ATOM 0 HA GLU A 69 113.025 -3.415 -12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 69 112.377 -3.763 -15.627 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.166 -2.323 -14.650 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.070 -1.752 -15.792 1.00 0.00 H new ATOM 0 HG3 GLU A 69 114.785 -2.475 -14.365 1.00 0.00 H new ATOM 1095 N ALA A 70 110.432 -3.838 -13.252 1.00 0.00 N ATOM 1096 CA ALA A 70 109.063 -4.289 -13.061 1.00 0.00 C ATOM 1097 C ALA A 70 108.603 -5.178 -14.207 1.00 0.00 C ATOM 1098 O ALA A 70 108.588 -4.766 -15.368 1.00 0.00 O ATOM 1099 CB ALA A 70 108.131 -3.096 -12.916 1.00 0.00 C ATOM 0 H ALA A 70 110.537 -2.824 -13.277 1.00 0.00 H new ATOM 0 HA ALA A 70 109.032 -4.881 -12.146 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.109 -3.448 -12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.433 -2.501 -12.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.182 -2.483 -13.816 1.00 0.00 H new ATOM 1105 N TYR A 71 108.260 -6.406 -13.877 1.00 0.00 N ATOM 1106 CA TYR A 71 107.684 -7.322 -14.840 1.00 0.00 C ATOM 1107 C TYR A 71 106.347 -7.819 -14.309 1.00 0.00 C ATOM 1108 O TYR A 71 106.111 -7.760 -13.099 1.00 0.00 O ATOM 1109 CB TYR A 71 108.645 -8.490 -15.131 1.00 0.00 C ATOM 1110 CG TYR A 71 108.992 -9.344 -13.931 1.00 0.00 C ATOM 1111 CD1 TYR A 71 110.086 -9.042 -13.131 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.229 -10.459 -13.607 1.00 0.00 C ATOM 1113 CE1 TYR A 71 110.409 -9.824 -12.040 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.546 -11.246 -12.519 1.00 0.00 C ATOM 1115 CZ TYR A 71 109.635 -10.925 -11.738 1.00 0.00 C ATOM 1116 OH TYR A 71 109.953 -11.706 -10.653 1.00 0.00 O ATOM 0 H TYR A 71 108.371 -6.795 -12.941 1.00 0.00 H new ATOM 0 HA TYR A 71 107.520 -6.804 -15.785 1.00 0.00 H new ATOM 0 HB2 TYR A 71 108.199 -9.127 -15.895 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.567 -8.087 -15.551 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.694 -8.181 -13.366 1.00 0.00 H new ATOM 0 HD2 TYR A 71 107.374 -10.714 -14.216 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.262 -9.575 -11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.943 -12.110 -12.280 1.00 0.00 H new ATOM 0 HH TYR A 71 109.308 -12.440 -10.578 1.00 0.00 H new ATOM 1126 N PRO A 72 105.445 -8.274 -15.197 1.00 0.00 N ATOM 1127 CA PRO A 72 104.120 -8.764 -14.804 1.00 0.00 C ATOM 1128 C PRO A 72 104.182 -9.766 -13.655 1.00 0.00 C ATOM 1129 O PRO A 72 104.828 -10.812 -13.765 1.00 0.00 O ATOM 1130 CB PRO A 72 103.602 -9.434 -16.076 1.00 0.00 C ATOM 1131 CG PRO A 72 104.279 -8.703 -17.180 1.00 0.00 C ATOM 1132 CD PRO A 72 105.642 -8.339 -16.659 1.00 0.00 C ATOM 0 HA PRO A 72 103.481 -7.961 -14.437 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.847 -10.496 -16.094 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.518 -9.355 -16.153 1.00 0.00 H new ATOM 0 HG2 PRO A 72 104.355 -9.326 -18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.717 -7.812 -17.460 1.00 0.00 H new ATOM 0 HD2 PRO A 72 106.388 -9.085 -16.931 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.984 -7.385 -17.061 1.00 0.00 H new ATOM 1140 N ASP A 73 103.513 -9.421 -12.560 1.00 0.00 N ATOM 1141 CA ASP A 73 103.469 -10.253 -11.359 1.00 0.00 C ATOM 1142 C ASP A 73 103.003 -11.666 -11.687 1.00 0.00 C ATOM 1143 O ASP A 73 101.921 -11.852 -12.239 1.00 0.00 O ATOM 1144 CB ASP A 73 102.529 -9.613 -10.333 1.00 0.00 C ATOM 1145 CG ASP A 73 102.226 -10.519 -9.162 1.00 0.00 C ATOM 1146 OD1 ASP A 73 103.162 -11.144 -8.625 1.00 0.00 O ATOM 1147 OD2 ASP A 73 101.049 -10.600 -8.758 1.00 0.00 O ATOM 0 H ASP A 73 102.983 -8.553 -12.478 1.00 0.00 H new ATOM 0 HA ASP A 73 104.475 -10.320 -10.944 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.977 -8.690 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.595 -9.340 -10.825 1.00 0.00 H new ATOM 1152 N PRO A 74 103.821 -12.683 -11.363 1.00 0.00 N ATOM 1153 CA PRO A 74 103.488 -14.086 -11.620 1.00 0.00 C ATOM 1154 C PRO A 74 102.421 -14.594 -10.658 1.00 0.00 C ATOM 1155 O PRO A 74 101.897 -15.696 -10.812 1.00 0.00 O ATOM 1156 CB PRO A 74 104.815 -14.832 -11.390 1.00 0.00 C ATOM 1157 CG PRO A 74 105.855 -13.771 -11.224 1.00 0.00 C ATOM 1158 CD PRO A 74 105.134 -12.556 -10.722 1.00 0.00 C ATOM 0 HA PRO A 74 103.081 -14.232 -12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 74 104.759 -15.466 -10.505 1.00 0.00 H new ATOM 0 HB3 PRO A 74 105.050 -15.481 -12.233 1.00 0.00 H new ATOM 0 HG2 PRO A 74 106.624 -14.086 -10.519 1.00 0.00 H new ATOM 0 HG3 PRO A 74 106.355 -13.564 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 74 105.057 -12.550 -9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.640 -11.635 -11.011 1.00 0.00 H new ATOM 1166 N THR A 75 102.117 -13.782 -9.661 1.00 0.00 N ATOM 1167 CA THR A 75 101.098 -14.105 -8.683 1.00 0.00 C ATOM 1168 C THR A 75 99.710 -13.818 -9.264 1.00 0.00 C ATOM 1169 O THR A 75 98.747 -14.555 -9.025 1.00 0.00 O ATOM 1170 CB THR A 75 101.327 -13.277 -7.405 1.00 0.00 C ATOM 1171 OG1 THR A 75 102.727 -13.250 -7.100 1.00 0.00 O ATOM 1172 CG2 THR A 75 100.576 -13.844 -6.217 1.00 0.00 C ATOM 0 H THR A 75 102.570 -12.881 -9.508 1.00 0.00 H new ATOM 0 HA THR A 75 101.158 -15.164 -8.432 1.00 0.00 H new ATOM 0 HB THR A 75 100.952 -12.271 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 75 103.127 -12.437 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.767 -13.228 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 99.507 -13.849 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.913 -14.863 -6.026 1.00 0.00 H new ATOM 1180 N ASP A 76 99.622 -12.749 -10.046 1.00 0.00 N ATOM 1181 CA ASP A 76 98.376 -12.367 -10.700 1.00 0.00 C ATOM 1182 C ASP A 76 98.309 -12.959 -12.107 1.00 0.00 C ATOM 1183 O ASP A 76 99.269 -12.880 -12.871 1.00 0.00 O ATOM 1184 CB ASP A 76 98.257 -10.844 -10.758 1.00 0.00 C ATOM 1185 CG ASP A 76 96.953 -10.390 -11.377 1.00 0.00 C ATOM 1186 OD1 ASP A 76 96.901 -10.242 -12.615 1.00 0.00 O ATOM 1187 OD2 ASP A 76 95.978 -10.177 -10.629 1.00 0.00 O ATOM 0 H ASP A 76 100.406 -12.127 -10.244 1.00 0.00 H new ATOM 0 HA ASP A 76 97.542 -12.762 -10.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 98.338 -10.437 -9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 76 99.089 -10.439 -11.333 1.00 0.00 H new ATOM 1192 N ALA A 77 97.168 -13.542 -12.450 1.00 0.00 N ATOM 1193 CA ALA A 77 97.030 -14.274 -13.706 1.00 0.00 C ATOM 1194 C ALA A 77 96.569 -13.384 -14.862 1.00 0.00 C ATOM 1195 O ALA A 77 96.333 -13.870 -15.968 1.00 0.00 O ATOM 1196 CB ALA A 77 96.068 -15.436 -13.524 1.00 0.00 C ATOM 0 H ALA A 77 96.324 -13.523 -11.878 1.00 0.00 H new ATOM 0 HA ALA A 77 98.019 -14.649 -13.970 1.00 0.00 H new ATOM 0 HB1 ALA A 77 95.970 -15.978 -14.465 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.451 -16.108 -12.756 1.00 0.00 H new ATOM 0 HB3 ALA A 77 95.092 -15.057 -13.220 1.00 0.00 H new ATOM 1202 N SER A 78 96.436 -12.091 -14.617 1.00 0.00 N ATOM 1203 CA SER A 78 96.020 -11.170 -15.665 1.00 0.00 C ATOM 1204 C SER A 78 97.122 -10.164 -15.983 1.00 0.00 C ATOM 1205 O SER A 78 97.084 -9.492 -17.017 1.00 0.00 O ATOM 1206 CB SER A 78 94.744 -10.435 -15.248 1.00 0.00 C ATOM 1207 OG SER A 78 93.720 -11.352 -14.888 1.00 0.00 O ATOM 0 H SER A 78 96.608 -11.657 -13.710 1.00 0.00 H new ATOM 0 HA SER A 78 95.820 -11.752 -16.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.959 -9.776 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.400 -9.804 -16.067 1.00 0.00 H new ATOM 0 HG SER A 78 92.916 -10.858 -14.624 1.00 0.00 H new ATOM 1213 N GLY A 79 98.106 -10.073 -15.099 1.00 0.00 N ATOM 1214 CA GLY A 79 99.136 -9.065 -15.242 1.00 0.00 C ATOM 1215 C GLY A 79 98.665 -7.743 -14.676 1.00 0.00 C ATOM 1216 O GLY A 79 99.148 -6.675 -15.060 1.00 0.00 O ATOM 0 H GLY A 79 98.209 -10.680 -14.285 1.00 0.00 H new ATOM 0 HA2 GLY A 79 100.041 -9.386 -14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 79 99.393 -8.946 -16.295 1.00 0.00 H new ATOM 1220 N LYS A 80 97.709 -7.834 -13.757 1.00 0.00 N ATOM 1221 CA LYS A 80 97.101 -6.667 -13.135 1.00 0.00 C ATOM 1222 C LYS A 80 98.120 -5.955 -12.256 1.00 0.00 C ATOM 1223 O LYS A 80 98.110 -4.729 -12.123 1.00 0.00 O ATOM 1224 CB LYS A 80 95.905 -7.113 -12.293 1.00 0.00 C ATOM 1225 CG LYS A 80 94.984 -5.991 -11.856 1.00 0.00 C ATOM 1226 CD LYS A 80 93.961 -6.500 -10.855 1.00 0.00 C ATOM 1227 CE LYS A 80 92.821 -5.518 -10.661 1.00 0.00 C ATOM 1228 NZ LYS A 80 91.970 -5.411 -11.873 1.00 0.00 N ATOM 0 H LYS A 80 97.334 -8.722 -13.423 1.00 0.00 H new ATOM 0 HA LYS A 80 96.765 -5.976 -13.908 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.326 -7.838 -12.865 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.274 -7.628 -11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 95.568 -5.186 -11.410 1.00 0.00 H new ATOM 0 HG3 LYS A 80 94.475 -5.572 -12.724 1.00 0.00 H new ATOM 0 HD2 LYS A 80 93.563 -7.455 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 80 94.450 -6.683 -9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 80 92.210 -5.833 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.225 -4.537 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 91.062 -4.971 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 92.452 -4.827 -12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 91.799 -6.360 -12.262 1.00 0.00 H new ATOM 1242 N PHE A 81 99.008 -6.739 -11.668 1.00 0.00 N ATOM 1243 CA PHE A 81 100.056 -6.209 -10.818 1.00 0.00 C ATOM 1244 C PHE A 81 101.417 -6.473 -11.445 1.00 0.00 C ATOM 1245 O PHE A 81 101.541 -7.276 -12.372 1.00 0.00 O ATOM 1246 CB PHE A 81 99.994 -6.846 -9.428 1.00 0.00 C ATOM 1247 CG PHE A 81 98.672 -6.668 -8.736 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.313 -5.440 -8.205 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.791 -7.730 -8.614 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.099 -5.274 -7.566 1.00 0.00 C ATOM 1251 CE2 PHE A 81 96.575 -7.570 -7.976 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.230 -6.341 -7.451 1.00 0.00 C ATOM 0 H PHE A 81 99.022 -7.754 -11.767 1.00 0.00 H new ATOM 0 HA PHE A 81 99.908 -5.134 -10.717 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.206 -7.911 -9.517 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.779 -6.416 -8.806 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.990 -4.603 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 81 98.057 -8.694 -9.022 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.830 -4.311 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.896 -8.405 -7.889 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.281 -6.214 -6.951 1.00 0.00 H new ATOM 1262 N VAL A 82 102.430 -5.793 -10.941 1.00 0.00 N ATOM 1263 CA VAL A 82 103.794 -6.007 -11.394 1.00 0.00 C ATOM 1264 C VAL A 82 104.695 -6.236 -10.195 1.00 0.00 C ATOM 1265 O VAL A 82 104.281 -6.013 -9.055 1.00 0.00 O ATOM 1266 CB VAL A 82 104.331 -4.825 -12.232 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.557 -4.691 -13.536 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.278 -3.527 -11.438 1.00 0.00 C ATOM 0 H VAL A 82 102.334 -5.084 -10.214 1.00 0.00 H new ATOM 0 HA VAL A 82 103.791 -6.885 -12.040 1.00 0.00 H new ATOM 0 HB VAL A 82 105.374 -5.031 -12.475 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.952 -3.853 -14.109 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.660 -5.608 -14.116 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.504 -4.516 -13.317 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.661 -2.710 -12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.247 -3.315 -11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.888 -3.625 -10.540 1.00 0.00 H new ATOM 1278 N CYS A 83 105.912 -6.685 -10.447 1.00 0.00 N ATOM 1279 CA CYS A 83 106.861 -6.942 -9.381 1.00 0.00 C ATOM 1280 C CYS A 83 108.288 -6.762 -9.880 1.00 0.00 C ATOM 1281 O CYS A 83 108.577 -6.994 -11.057 1.00 0.00 O ATOM 1282 CB CYS A 83 106.665 -8.357 -8.833 1.00 0.00 C ATOM 1283 SG CYS A 83 106.747 -9.647 -10.093 1.00 0.00 S ATOM 0 H CYS A 83 106.266 -6.879 -11.384 1.00 0.00 H new ATOM 0 HA CYS A 83 106.685 -6.225 -8.579 1.00 0.00 H new ATOM 0 HB2 CYS A 83 107.426 -8.552 -8.077 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.698 -8.412 -8.333 1.00 0.00 H new ATOM 0 HG CYS A 83 107.979 -9.800 -10.478 1.00 0.00 H new ATOM 1289 N VAL A 84 109.163 -6.322 -8.991 1.00 0.00 N ATOM 1290 CA VAL A 84 110.577 -6.196 -9.301 1.00 0.00 C ATOM 1291 C VAL A 84 111.369 -7.247 -8.543 1.00 0.00 C ATOM 1292 O VAL A 84 110.903 -7.772 -7.532 1.00 0.00 O ATOM 1293 CB VAL A 84 111.128 -4.799 -8.942 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.552 -3.737 -9.862 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.833 -4.459 -7.486 1.00 0.00 C ATOM 0 H VAL A 84 108.916 -6.044 -8.041 1.00 0.00 H new ATOM 0 HA VAL A 84 110.685 -6.339 -10.376 1.00 0.00 H new ATOM 0 HB VAL A 84 112.209 -4.820 -9.078 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.955 -2.762 -9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.820 -3.965 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.466 -3.721 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 84 111.230 -3.470 -7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.755 -4.464 -7.322 1.00 0.00 H new ATOM 0 HG23 VAL A 84 111.302 -5.199 -6.837 1.00 0.00 H new ATOM 1305 N ASP A 85 112.557 -7.555 -9.027 1.00 0.00 N ATOM 1306 CA ASP A 85 113.413 -8.520 -8.358 1.00 0.00 C ATOM 1307 C ASP A 85 114.507 -7.780 -7.603 1.00 0.00 C ATOM 1308 O ASP A 85 115.359 -7.124 -8.210 1.00 0.00 O ATOM 1309 CB ASP A 85 114.022 -9.483 -9.371 1.00 0.00 C ATOM 1310 CG ASP A 85 114.586 -10.734 -8.733 1.00 0.00 C ATOM 1311 OD1 ASP A 85 115.751 -10.708 -8.301 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.877 -11.761 -8.707 1.00 0.00 O ATOM 0 H ASP A 85 112.952 -7.154 -9.878 1.00 0.00 H new ATOM 0 HA ASP A 85 112.819 -9.102 -7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 85 113.261 -9.765 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.814 -8.972 -9.919 1.00 0.00 H new ATOM 1317 N ILE A 86 114.461 -7.857 -6.282 1.00 0.00 N ATOM 1318 CA ILE A 86 115.377 -7.096 -5.447 1.00 0.00 C ATOM 1319 C ILE A 86 116.459 -7.981 -4.847 1.00 0.00 C ATOM 1320 O ILE A 86 116.197 -9.111 -4.427 1.00 0.00 O ATOM 1321 CB ILE A 86 114.635 -6.360 -4.309 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.844 -7.349 -3.444 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.713 -5.294 -4.883 1.00 0.00 C ATOM 1324 CD1 ILE A 86 113.184 -6.716 -2.237 1.00 0.00 C ATOM 0 H ILE A 86 113.800 -8.438 -5.766 1.00 0.00 H new ATOM 0 HA ILE A 86 115.844 -6.359 -6.100 1.00 0.00 H new ATOM 0 HB ILE A 86 115.376 -5.874 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 86 113.078 -7.822 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.515 -8.139 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 86 113.197 -4.783 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.300 -4.572 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.981 -5.762 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.644 -7.479 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.946 -6.267 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.486 -5.946 -2.566 1.00 0.00 H new ATOM 1336 N LYS A 87 117.674 -7.461 -4.810 1.00 0.00 N ATOM 1337 CA LYS A 87 118.792 -8.158 -4.194 1.00 0.00 C ATOM 1338 C LYS A 87 119.200 -7.441 -2.914 1.00 0.00 C ATOM 1339 O LYS A 87 118.862 -6.275 -2.716 1.00 0.00 O ATOM 1340 CB LYS A 87 120.001 -8.190 -5.134 1.00 0.00 C ATOM 1341 CG LYS A 87 120.684 -6.837 -5.250 1.00 0.00 C ATOM 1342 CD LYS A 87 122.079 -6.924 -5.844 1.00 0.00 C ATOM 1343 CE LYS A 87 122.836 -5.633 -5.580 1.00 0.00 C ATOM 1344 NZ LYS A 87 124.159 -5.581 -6.251 1.00 0.00 N ATOM 0 H LYS A 87 117.913 -6.551 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 87 118.475 -9.178 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 87 120.719 -8.926 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 87 119.680 -8.517 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 87 120.073 -6.180 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.744 -6.381 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 87 122.617 -7.766 -5.409 1.00 0.00 H new ATOM 0 HD3 LYS A 87 122.016 -7.106 -6.917 1.00 0.00 H new ATOM 0 HE2 LYS A 87 122.232 -4.790 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 87 122.976 -5.515 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 124.821 -5.027 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 124.526 -6.547 -6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 124.058 -5.132 -7.184 1.00 0.00 H new ATOM 1358 N ALA A 88 119.921 -8.135 -2.051 1.00 0.00 N ATOM 1359 CA ALA A 88 120.567 -7.493 -0.919 1.00 0.00 C ATOM 1360 C ALA A 88 121.981 -7.095 -1.310 1.00 0.00 C ATOM 1361 O ALA A 88 122.839 -7.954 -1.526 1.00 0.00 O ATOM 1362 CB ALA A 88 120.590 -8.408 0.294 1.00 0.00 C ATOM 0 H ALA A 88 120.074 -9.142 -2.112 1.00 0.00 H new ATOM 0 HA ALA A 88 119.998 -6.604 -0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.080 -7.899 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.569 -8.663 0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.138 -9.319 0.052 1.00 0.00 H new ATOM 1368 N ASP A 89 122.213 -5.800 -1.431 1.00 0.00 N ATOM 1369 CA ASP A 89 123.515 -5.298 -1.848 1.00 0.00 C ATOM 1370 C ASP A 89 124.479 -5.321 -0.669 1.00 0.00 C ATOM 1371 O ASP A 89 125.367 -6.171 -0.594 1.00 0.00 O ATOM 1372 CB ASP A 89 123.375 -3.880 -2.405 1.00 0.00 C ATOM 1373 CG ASP A 89 124.664 -3.344 -2.996 1.00 0.00 C ATOM 1374 OD1 ASP A 89 125.033 -3.765 -4.115 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.287 -2.459 -2.372 1.00 0.00 O ATOM 0 H ASP A 89 121.519 -5.075 -1.247 1.00 0.00 H new ATOM 0 HA ASP A 89 123.913 -5.939 -2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.600 -3.872 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.043 -3.214 -1.608 1.00 0.00 H new ATOM 1380 N LYS A 90 124.292 -4.385 0.246 1.00 0.00 N ATOM 1381 CA LYS A 90 125.057 -4.340 1.481 1.00 0.00 C ATOM 1382 C LYS A 90 124.240 -3.662 2.568 1.00 0.00 C ATOM 1383 O LYS A 90 123.439 -2.768 2.279 1.00 0.00 O ATOM 1384 CB LYS A 90 126.395 -3.618 1.274 1.00 0.00 C ATOM 1385 CG LYS A 90 126.266 -2.270 0.583 1.00 0.00 C ATOM 1386 CD LYS A 90 127.612 -1.581 0.450 1.00 0.00 C ATOM 1387 CE LYS A 90 127.537 -0.394 -0.495 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.324 -0.820 -1.905 1.00 0.00 N ATOM 0 H LYS A 90 123.606 -3.635 0.154 1.00 0.00 H new ATOM 0 HA LYS A 90 125.278 -5.361 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.873 -3.474 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 90 127.054 -4.256 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.827 -2.407 -0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.585 -1.634 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.949 -1.246 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.352 -2.293 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 90 126.724 0.264 -0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.458 0.184 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 127.464 -0.007 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 128.004 -1.569 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 126.356 -1.183 -2.016 1.00 0.00 H new ATOM 1402 N PRO A 91 124.395 -4.089 3.823 1.00 0.00 N ATOM 1403 CA PRO A 91 123.724 -3.455 4.949 1.00 0.00 C ATOM 1404 C PRO A 91 124.409 -2.160 5.366 1.00 0.00 C ATOM 1405 O PRO A 91 125.522 -1.862 4.925 1.00 0.00 O ATOM 1406 CB PRO A 91 123.826 -4.504 6.055 1.00 0.00 C ATOM 1407 CG PRO A 91 125.068 -5.265 5.741 1.00 0.00 C ATOM 1408 CD PRO A 91 125.225 -5.233 4.243 1.00 0.00 C ATOM 0 HA PRO A 91 122.699 -3.170 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 91 123.885 -4.038 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 91 122.953 -5.157 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.932 -4.816 6.231 1.00 0.00 H new ATOM 0 HG3 PRO A 91 124.995 -6.291 6.101 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.267 -5.098 3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 91 124.885 -6.162 3.786 1.00 0.00 H new ATOM 1416 N LEU A 92 123.742 -1.386 6.206 1.00 0.00 N ATOM 1417 CA LEU A 92 124.318 -0.157 6.721 1.00 0.00 C ATOM 1418 C LEU A 92 125.231 -0.471 7.895 1.00 0.00 C ATOM 1419 O LEU A 92 124.963 -1.402 8.658 1.00 0.00 O ATOM 1420 CB LEU A 92 123.216 0.816 7.153 1.00 0.00 C ATOM 1421 CG LEU A 92 122.352 1.367 6.017 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.287 2.304 6.564 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.214 2.089 4.993 1.00 0.00 C ATOM 0 H LEU A 92 122.801 -1.588 6.545 1.00 0.00 H new ATOM 0 HA LEU A 92 124.901 0.316 5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.568 0.311 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.677 1.653 7.676 1.00 0.00 H new ATOM 0 HG LEU A 92 121.858 0.529 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.682 2.686 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.649 1.762 7.262 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.765 3.136 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.582 2.474 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.735 2.917 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 92 123.944 1.394 4.577 1.00 0.00 H new ATOM 1435 N LYS A 93 126.317 0.288 8.026 1.00 0.00 N ATOM 1436 CA LYS A 93 127.244 0.103 9.142 1.00 0.00 C ATOM 1437 C LYS A 93 126.509 0.308 10.464 1.00 0.00 C ATOM 1438 O LYS A 93 126.641 -0.484 11.397 1.00 0.00 O ATOM 1439 CB LYS A 93 128.426 1.074 9.032 1.00 0.00 C ATOM 1440 CG LYS A 93 129.430 0.939 10.168 1.00 0.00 C ATOM 1441 CD LYS A 93 130.548 1.968 10.070 1.00 0.00 C ATOM 1442 CE LYS A 93 131.446 1.727 8.863 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.551 2.718 8.795 1.00 0.00 N ATOM 0 H LYS A 93 126.576 1.032 7.378 1.00 0.00 H new ATOM 0 HA LYS A 93 127.636 -0.913 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.937 0.906 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.046 2.096 9.013 1.00 0.00 H new ATOM 0 HG2 LYS A 93 128.915 1.054 11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.858 -0.063 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 93 130.116 2.967 10.006 1.00 0.00 H new ATOM 0 HD3 LYS A 93 131.148 1.938 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 93 131.862 0.721 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 93 130.852 1.781 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.141 2.523 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 132.154 3.676 8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 133.132 2.649 9.655 1.00 0.00 H new ATOM 1457 N THR A 94 125.738 1.381 10.526 1.00 0.00 N ATOM 1458 CA THR A 94 124.847 1.629 11.641 1.00 0.00 C ATOM 1459 C THR A 94 123.459 1.971 11.108 1.00 0.00 C ATOM 1460 O THR A 94 123.314 2.873 10.284 1.00 0.00 O ATOM 1461 CB THR A 94 125.364 2.767 12.549 1.00 0.00 C ATOM 1462 OG1 THR A 94 125.758 3.893 11.758 1.00 0.00 O ATOM 1463 CG2 THR A 94 126.543 2.304 13.393 1.00 0.00 C ATOM 0 H THR A 94 125.714 2.102 9.805 1.00 0.00 H new ATOM 0 HA THR A 94 124.801 0.725 12.249 1.00 0.00 H new ATOM 0 HB THR A 94 124.551 3.056 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.082 4.608 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 94 126.885 3.126 14.022 1.00 0.00 H new ATOM 0 HG22 THR A 94 126.234 1.470 14.023 1.00 0.00 H new ATOM 0 HG23 THR A 94 127.355 1.984 12.740 1.00 0.00 H new ATOM 1471 N PRO A 95 122.431 1.227 11.538 1.00 0.00 N ATOM 1472 CA PRO A 95 121.057 1.414 11.057 1.00 0.00 C ATOM 1473 C PRO A 95 120.523 2.821 11.314 1.00 0.00 C ATOM 1474 O PRO A 95 120.771 3.412 12.366 1.00 0.00 O ATOM 1475 CB PRO A 95 120.250 0.387 11.855 1.00 0.00 C ATOM 1476 CG PRO A 95 121.246 -0.618 12.314 1.00 0.00 C ATOM 1477 CD PRO A 95 122.524 0.137 12.524 1.00 0.00 C ATOM 0 HA PRO A 95 120.994 1.283 9.977 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.744 0.854 12.700 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.480 -0.075 11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 95 120.920 -1.098 13.237 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.375 -1.407 11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.604 0.519 13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.397 -0.491 12.350 1.00 0.00 H new ATOM 1485 N VAL A 96 119.794 3.347 10.342 1.00 0.00 N ATOM 1486 CA VAL A 96 119.205 4.674 10.451 1.00 0.00 C ATOM 1487 C VAL A 96 117.746 4.562 10.871 1.00 0.00 C ATOM 1488 O VAL A 96 116.903 4.092 10.106 1.00 0.00 O ATOM 1489 CB VAL A 96 119.301 5.442 9.119 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.616 6.795 9.229 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.757 5.613 8.714 1.00 0.00 C ATOM 0 H VAL A 96 119.595 2.871 9.462 1.00 0.00 H new ATOM 0 HA VAL A 96 119.764 5.227 11.206 1.00 0.00 H new ATOM 0 HB VAL A 96 118.791 4.864 8.349 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.695 7.321 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.565 6.651 9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.097 7.384 10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.811 6.157 7.771 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.286 6.171 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.219 4.633 8.594 1.00 0.00 H new ATOM 1501 N THR A 97 117.458 4.978 12.093 1.00 0.00 N ATOM 1502 CA THR A 97 116.121 4.858 12.646 1.00 0.00 C ATOM 1503 C THR A 97 115.210 5.977 12.145 1.00 0.00 C ATOM 1504 O THR A 97 115.672 6.938 11.529 1.00 0.00 O ATOM 1505 CB THR A 97 116.165 4.884 14.182 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.782 6.096 14.633 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.937 3.689 14.720 1.00 0.00 C ATOM 0 H THR A 97 118.137 5.404 12.723 1.00 0.00 H new ATOM 0 HA THR A 97 115.716 3.903 12.312 1.00 0.00 H new ATOM 0 HB THR A 97 115.142 4.835 14.554 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.805 6.106 15.613 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.955 3.728 15.809 1.00 0.00 H new ATOM 0 HG22 THR A 97 116.452 2.768 14.398 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.958 3.714 14.339 1.00 0.00 H new ATOM 1515 N LEU A 98 113.918 5.843 12.411 1.00 0.00 N ATOM 1516 CA LEU A 98 112.936 6.847 12.020 1.00 0.00 C ATOM 1517 C LEU A 98 113.277 8.208 12.624 1.00 0.00 C ATOM 1518 O LEU A 98 113.210 9.235 11.946 1.00 0.00 O ATOM 1519 CB LEU A 98 111.537 6.409 12.465 1.00 0.00 C ATOM 1520 CG LEU A 98 110.395 7.352 12.074 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.282 7.461 10.561 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.082 6.871 12.674 1.00 0.00 C ATOM 0 H LEU A 98 113.522 5.041 12.901 1.00 0.00 H new ATOM 0 HA LEU A 98 112.955 6.942 10.934 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.332 5.425 12.044 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.538 6.298 13.549 1.00 0.00 H new ATOM 0 HG LEU A 98 110.616 8.343 12.471 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.465 8.135 10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.215 7.850 10.154 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.085 6.476 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.280 7.551 12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.858 5.870 12.305 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.166 6.846 13.760 1.00 0.00 H new ATOM 1534 N ALA A 99 113.662 8.206 13.894 1.00 0.00 N ATOM 1535 CA ALA A 99 114.015 9.441 14.583 1.00 0.00 C ATOM 1536 C ALA A 99 115.351 9.989 14.089 1.00 0.00 C ATOM 1537 O ALA A 99 115.648 11.169 14.266 1.00 0.00 O ATOM 1538 CB ALA A 99 114.050 9.218 16.086 1.00 0.00 C ATOM 0 H ALA A 99 113.738 7.365 14.467 1.00 0.00 H new ATOM 0 HA ALA A 99 113.249 10.183 14.358 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.315 10.150 16.586 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.069 8.889 16.428 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.791 8.455 16.323 1.00 0.00 H new ATOM 1544 N ALA A 100 116.151 9.132 13.466 1.00 0.00 N ATOM 1545 CA ALA A 100 117.422 9.557 12.897 1.00 0.00 C ATOM 1546 C ALA A 100 117.194 10.281 11.575 1.00 0.00 C ATOM 1547 O ALA A 100 117.932 11.197 11.220 1.00 0.00 O ATOM 1548 CB ALA A 100 118.351 8.370 12.705 1.00 0.00 C ATOM 0 H ALA A 100 115.942 8.141 13.343 1.00 0.00 H new ATOM 0 HA ALA A 100 117.897 10.248 13.593 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.294 8.711 12.279 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.539 7.895 13.668 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.887 7.650 12.030 1.00 0.00 H new ATOM 1554 N VAL A 101 116.163 9.865 10.849 1.00 0.00 N ATOM 1555 CA VAL A 101 115.772 10.546 9.621 1.00 0.00 C ATOM 1556 C VAL A 101 115.113 11.882 9.967 1.00 0.00 C ATOM 1557 O VAL A 101 115.289 12.879 9.272 1.00 0.00 O ATOM 1558 CB VAL A 101 114.804 9.691 8.771 1.00 0.00 C ATOM 1559 CG1 VAL A 101 114.563 10.335 7.414 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.339 8.278 8.599 1.00 0.00 C ATOM 0 H VAL A 101 115.584 9.061 11.089 1.00 0.00 H new ATOM 0 HA VAL A 101 116.672 10.713 9.029 1.00 0.00 H new ATOM 0 HB VAL A 101 113.852 9.636 9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.879 9.716 6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 101 114.127 11.324 7.553 1.00 0.00 H new ATOM 0 HG13 VAL A 101 115.510 10.427 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.641 7.695 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.307 8.314 8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.453 7.811 9.577 1.00 0.00 H new ATOM 1570 N LYS A 102 114.378 11.891 11.076 1.00 0.00 N ATOM 1571 CA LYS A 102 113.737 13.107 11.574 1.00 0.00 C ATOM 1572 C LYS A 102 114.736 14.011 12.301 1.00 0.00 C ATOM 1573 O LYS A 102 114.347 15.010 12.908 1.00 0.00 O ATOM 1574 CB LYS A 102 112.585 12.763 12.529 1.00 0.00 C ATOM 1575 CG LYS A 102 111.224 12.616 11.860 1.00 0.00 C ATOM 1576 CD LYS A 102 110.132 12.415 12.901 1.00 0.00 C ATOM 1577 CE LYS A 102 108.743 12.649 12.325 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.359 11.621 11.322 1.00 0.00 N ATOM 0 H LYS A 102 114.210 11.065 11.651 1.00 0.00 H new ATOM 0 HA LYS A 102 113.347 13.640 10.707 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.824 11.832 13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.518 13.540 13.290 1.00 0.00 H new ATOM 0 HG2 LYS A 102 111.008 13.504 11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.240 11.769 11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.193 11.402 13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.297 13.096 13.736 1.00 0.00 H new ATOM 0 HE2 LYS A 102 108.014 12.651 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.707 13.635 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.337 11.681 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.881 11.787 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.590 10.675 11.688 1.00 0.00 H new ATOM 1592 N ALA A 103 116.018 13.664 12.241 1.00 0.00 N ATOM 1593 CA ALA A 103 117.046 14.421 12.948 1.00 0.00 C ATOM 1594 C ALA A 103 117.351 15.742 12.249 1.00 0.00 C ATOM 1595 O ALA A 103 117.866 16.672 12.869 1.00 0.00 O ATOM 1596 CB ALA A 103 118.317 13.597 13.094 1.00 0.00 C ATOM 0 H ALA A 103 116.369 12.866 11.712 1.00 0.00 H new ATOM 0 HA ALA A 103 116.658 14.649 13.941 1.00 0.00 H new ATOM 0 HB1 ALA A 103 119.070 14.180 13.624 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.099 12.689 13.657 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.693 13.330 12.106 1.00 0.00 H new ATOM 1602 N GLU A 104 117.038 15.828 10.963 1.00 0.00 N ATOM 1603 CA GLU A 104 117.254 17.060 10.220 1.00 0.00 C ATOM 1604 C GLU A 104 116.101 17.322 9.255 1.00 0.00 C ATOM 1605 O GLU A 104 115.543 16.393 8.668 1.00 0.00 O ATOM 1606 CB GLU A 104 118.595 17.030 9.475 1.00 0.00 C ATOM 1607 CG GLU A 104 118.741 15.914 8.457 1.00 0.00 C ATOM 1608 CD GLU A 104 120.075 15.976 7.745 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.206 16.771 6.787 1.00 0.00 O ATOM 1610 OE2 GLU A 104 121.005 15.248 8.148 1.00 0.00 O ATOM 0 H GLU A 104 116.637 15.065 10.417 1.00 0.00 H new ATOM 0 HA GLU A 104 117.289 17.880 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 118.732 17.985 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 104 119.398 16.940 10.207 1.00 0.00 H new ATOM 0 HG2 GLU A 104 118.640 14.950 8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.935 15.981 7.726 1.00 0.00 H new ATOM 1617 N PRO A 105 115.735 18.604 9.083 1.00 0.00 N ATOM 1618 CA PRO A 105 114.594 19.012 8.251 1.00 0.00 C ATOM 1619 C PRO A 105 114.765 18.633 6.782 1.00 0.00 C ATOM 1620 O PRO A 105 113.785 18.511 6.047 1.00 0.00 O ATOM 1621 CB PRO A 105 114.555 20.536 8.407 1.00 0.00 C ATOM 1622 CG PRO A 105 115.922 20.912 8.860 1.00 0.00 C ATOM 1623 CD PRO A 105 116.407 19.764 9.694 1.00 0.00 C ATOM 0 HA PRO A 105 113.677 18.514 8.564 1.00 0.00 H new ATOM 0 HB2 PRO A 105 114.304 21.023 7.465 1.00 0.00 H new ATOM 0 HB3 PRO A 105 113.801 20.839 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 105 116.582 21.084 8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 105 115.902 21.835 9.439 1.00 0.00 H new ATOM 0 HD2 PRO A 105 117.492 19.668 9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.134 19.883 10.742 1.00 0.00 H new ATOM 1631 N ARG A 106 116.010 18.434 6.366 1.00 0.00 N ATOM 1632 CA ARG A 106 116.315 18.051 4.991 1.00 0.00 C ATOM 1633 C ARG A 106 115.716 16.685 4.662 1.00 0.00 C ATOM 1634 O ARG A 106 115.354 16.413 3.519 1.00 0.00 O ATOM 1635 CB ARG A 106 117.831 18.051 4.776 1.00 0.00 C ATOM 1636 CG ARG A 106 118.265 17.639 3.379 1.00 0.00 C ATOM 1637 CD ARG A 106 119.703 18.050 3.099 1.00 0.00 C ATOM 1638 NE ARG A 106 120.628 17.597 4.139 1.00 0.00 N ATOM 1639 CZ ARG A 106 121.953 17.573 4.000 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.520 17.954 2.857 1.00 0.00 N ATOM 1641 NH2 ARG A 106 122.710 17.167 5.012 1.00 0.00 N ATOM 0 H ARG A 106 116.830 18.532 6.965 1.00 0.00 H new ATOM 0 HA ARG A 106 115.867 18.779 4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 106 118.216 19.050 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.289 17.377 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.166 16.559 3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 106 117.605 18.096 2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.014 17.641 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 106 119.758 19.135 3.016 1.00 0.00 H new ATOM 0 HE ARG A 106 120.234 17.280 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 106 121.939 18.267 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.535 17.932 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 106 122.277 16.876 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 106 123.725 17.146 4.913 1.00 0.00 H new ATOM 1655 N LEU A 107 115.589 15.837 5.674 1.00 0.00 N ATOM 1656 CA LEU A 107 115.008 14.513 5.492 1.00 0.00 C ATOM 1657 C LEU A 107 113.547 14.497 5.931 1.00 0.00 C ATOM 1658 O LEU A 107 112.860 13.484 5.805 1.00 0.00 O ATOM 1659 CB LEU A 107 115.803 13.473 6.277 1.00 0.00 C ATOM 1660 CG LEU A 107 117.223 13.230 5.776 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.969 12.313 6.729 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.199 12.636 4.374 1.00 0.00 C ATOM 0 H LEU A 107 115.880 16.042 6.630 1.00 0.00 H new ATOM 0 HA LEU A 107 115.052 14.265 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.851 13.786 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.259 12.529 6.253 1.00 0.00 H new ATOM 0 HG LEU A 107 117.745 14.186 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.981 12.149 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.014 12.773 7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.448 11.358 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.220 12.469 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.662 11.688 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.697 13.326 3.695 1.00 0.00 H new ATOM 1674 N ALA A 108 113.072 15.631 6.427 1.00 0.00 N ATOM 1675 CA ALA A 108 111.686 15.752 6.863 1.00 0.00 C ATOM 1676 C ALA A 108 110.777 16.017 5.670 1.00 0.00 C ATOM 1677 O ALA A 108 109.552 15.970 5.778 1.00 0.00 O ATOM 1678 CB ALA A 108 111.547 16.856 7.900 1.00 0.00 C ATOM 0 H ALA A 108 113.625 16.481 6.538 1.00 0.00 H new ATOM 0 HA ALA A 108 111.384 14.812 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.506 16.932 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.170 16.624 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.865 17.804 7.467 1.00 0.00 H new ATOM 1684 N ASP A 109 111.394 16.290 4.526 1.00 0.00 N ATOM 1685 CA ASP A 109 110.655 16.526 3.294 1.00 0.00 C ATOM 1686 C ASP A 109 110.646 15.258 2.441 1.00 0.00 C ATOM 1687 O ASP A 109 110.203 15.259 1.292 1.00 0.00 O ATOM 1688 CB ASP A 109 111.266 17.702 2.519 1.00 0.00 C ATOM 1689 CG ASP A 109 110.398 18.152 1.360 1.00 0.00 C ATOM 1690 OD1 ASP A 109 109.196 18.422 1.580 1.00 0.00 O ATOM 1691 OD2 ASP A 109 110.912 18.258 0.227 1.00 0.00 O ATOM 0 H ASP A 109 112.407 16.353 4.427 1.00 0.00 H new ATOM 0 HA ASP A 109 109.626 16.784 3.542 1.00 0.00 H new ATOM 0 HB2 ASP A 109 111.420 18.540 3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.247 17.413 2.142 1.00 0.00 H new ATOM 1696 N MET A 110 111.130 14.169 3.022 1.00 0.00 N ATOM 1697 CA MET A 110 111.102 12.877 2.354 1.00 0.00 C ATOM 1698 C MET A 110 109.679 12.330 2.367 1.00 0.00 C ATOM 1699 O MET A 110 108.905 12.630 3.280 1.00 0.00 O ATOM 1700 CB MET A 110 112.044 11.884 3.049 1.00 0.00 C ATOM 1701 CG MET A 110 112.197 10.566 2.300 1.00 0.00 C ATOM 1702 SD MET A 110 112.993 9.277 3.279 1.00 0.00 S ATOM 1703 CE MET A 110 114.609 9.999 3.542 1.00 0.00 C ATOM 0 H MET A 110 111.546 14.155 3.953 1.00 0.00 H new ATOM 0 HA MET A 110 111.438 13.008 1.325 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.025 12.345 3.162 1.00 0.00 H new ATOM 0 HB3 MET A 110 111.669 11.681 4.052 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.213 10.218 1.986 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.779 10.736 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 110 115.377 9.246 3.367 1.00 0.00 H new ATOM 0 HE2 MET A 110 114.753 10.831 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.683 10.361 4.567 1.00 0.00 H new ATOM 1713 N ALA A 111 109.336 11.536 1.359 1.00 0.00 N ATOM 1714 CA ALA A 111 108.020 10.905 1.279 1.00 0.00 C ATOM 1715 C ALA A 111 107.729 10.061 2.520 1.00 0.00 C ATOM 1716 O ALA A 111 106.571 9.817 2.855 1.00 0.00 O ATOM 1717 CB ALA A 111 107.919 10.054 0.022 1.00 0.00 C ATOM 0 H ALA A 111 109.955 11.312 0.580 1.00 0.00 H new ATOM 0 HA ALA A 111 107.271 11.696 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 111 106.934 9.590 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.066 10.683 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.685 9.279 0.045 1.00 0.00 H new ATOM 1723 N LEU A 112 108.790 9.638 3.203 1.00 0.00 N ATOM 1724 CA LEU A 112 108.677 8.855 4.431 1.00 0.00 C ATOM 1725 C LEU A 112 107.954 9.646 5.520 1.00 0.00 C ATOM 1726 O LEU A 112 107.264 9.075 6.363 1.00 0.00 O ATOM 1727 CB LEU A 112 110.075 8.464 4.921 1.00 0.00 C ATOM 1728 CG LEU A 112 110.117 7.543 6.142 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.572 6.169 5.793 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.536 7.432 6.676 1.00 0.00 C ATOM 0 H LEU A 112 109.752 9.828 2.921 1.00 0.00 H new ATOM 0 HA LEU A 112 108.097 7.958 4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.603 7.976 4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.625 9.375 5.157 1.00 0.00 H new ATOM 0 HG LEU A 112 109.488 7.975 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.610 5.528 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.540 6.262 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.175 5.730 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 112 111.547 6.773 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.185 7.023 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 112 111.894 8.420 6.965 1.00 0.00 H new ATOM 1742 N MET A 113 108.109 10.962 5.482 1.00 0.00 N ATOM 1743 CA MET A 113 107.539 11.835 6.500 1.00 0.00 C ATOM 1744 C MET A 113 106.223 12.432 6.014 1.00 0.00 C ATOM 1745 O MET A 113 105.638 13.298 6.666 1.00 0.00 O ATOM 1746 CB MET A 113 108.527 12.950 6.853 1.00 0.00 C ATOM 1747 CG MET A 113 109.881 12.430 7.307 1.00 0.00 C ATOM 1748 SD MET A 113 109.756 11.314 8.718 1.00 0.00 S ATOM 1749 CE MET A 113 111.453 10.771 8.864 1.00 0.00 C ATOM 0 H MET A 113 108.628 11.451 4.753 1.00 0.00 H new ATOM 0 HA MET A 113 107.342 11.243 7.394 1.00 0.00 H new ATOM 0 HB2 MET A 113 108.665 13.593 5.984 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.100 13.569 7.642 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.363 11.910 6.479 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.520 13.273 7.570 1.00 0.00 H new ATOM 0 HE1 MET A 113 111.528 10.019 9.650 1.00 0.00 H new ATOM 0 HE2 MET A 113 111.780 10.341 7.917 1.00 0.00 H new ATOM 0 HE3 MET A 113 112.087 11.622 9.114 1.00 0.00 H new ATOM 1759 N LYS A 114 105.761 11.959 4.863 1.00 0.00 N ATOM 1760 CA LYS A 114 104.529 12.460 4.268 1.00 0.00 C ATOM 1761 C LYS A 114 103.531 11.323 4.070 1.00 0.00 C ATOM 1762 O LYS A 114 102.441 11.323 4.642 1.00 0.00 O ATOM 1763 CB LYS A 114 104.814 13.121 2.913 1.00 0.00 C ATOM 1764 CG LYS A 114 105.801 14.277 2.964 1.00 0.00 C ATOM 1765 CD LYS A 114 106.117 14.781 1.563 1.00 0.00 C ATOM 1766 CE LYS A 114 107.220 15.828 1.563 1.00 0.00 C ATOM 1767 NZ LYS A 114 106.771 17.140 2.103 1.00 0.00 N ATOM 0 H LYS A 114 106.222 11.228 4.322 1.00 0.00 H new ATOM 0 HA LYS A 114 104.105 13.200 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.197 12.364 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 114 103.874 13.482 2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.387 15.088 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 114 106.719 13.955 3.455 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.416 13.941 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.216 15.205 1.120 1.00 0.00 H new ATOM 0 HE2 LYS A 114 108.059 15.465 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.584 15.965 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 107.542 17.833 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 105.945 17.472 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 106.512 17.033 3.105 1.00 0.00 H new ATOM 1781 N TYR A 115 103.924 10.342 3.270 1.00 0.00 N ATOM 1782 CA TYR A 115 103.041 9.248 2.902 1.00 0.00 C ATOM 1783 C TYR A 115 103.277 8.032 3.791 1.00 0.00 C ATOM 1784 O TYR A 115 104.167 7.219 3.530 1.00 0.00 O ATOM 1785 CB TYR A 115 103.252 8.855 1.437 1.00 0.00 C ATOM 1786 CG TYR A 115 102.900 9.935 0.438 1.00 0.00 C ATOM 1787 CD1 TYR A 115 103.839 10.883 0.049 1.00 0.00 C ATOM 1788 CD2 TYR A 115 101.634 9.994 -0.131 1.00 0.00 C ATOM 1789 CE1 TYR A 115 103.523 11.861 -0.875 1.00 0.00 C ATOM 1790 CE2 TYR A 115 101.311 10.969 -1.054 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.259 11.899 -1.424 1.00 0.00 C ATOM 1792 OH TYR A 115 101.942 12.868 -2.347 1.00 0.00 O ATOM 0 H TYR A 115 104.857 10.283 2.861 1.00 0.00 H new ATOM 0 HA TYR A 115 102.016 9.591 3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.296 8.575 1.296 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.653 7.970 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 115 104.831 10.855 0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 115 100.890 9.265 0.153 1.00 0.00 H new ATOM 0 HE1 TYR A 115 104.263 12.592 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 115 100.321 11.003 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 115 101.013 12.753 -2.636 1.00 0.00 H new ATOM 1802 N SER A 116 102.482 7.915 4.841 1.00 0.00 N ATOM 1803 CA SER A 116 102.590 6.794 5.761 1.00 0.00 C ATOM 1804 C SER A 116 102.236 5.477 5.068 1.00 0.00 C ATOM 1805 O SER A 116 102.973 4.493 5.167 1.00 0.00 O ATOM 1806 CB SER A 116 101.675 7.018 6.971 1.00 0.00 C ATOM 1807 OG SER A 116 101.686 5.899 7.842 1.00 0.00 O ATOM 0 H SER A 116 101.751 8.586 5.079 1.00 0.00 H new ATOM 0 HA SER A 116 103.624 6.730 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.998 7.907 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 116 100.657 7.205 6.630 1.00 0.00 H new ATOM 0 HG SER A 116 101.095 6.072 8.604 1.00 0.00 H new ATOM 1813 N ARG A 117 101.131 5.481 4.330 1.00 0.00 N ATOM 1814 CA ARG A 117 100.582 4.257 3.750 1.00 0.00 C ATOM 1815 C ARG A 117 101.275 3.893 2.432 1.00 0.00 C ATOM 1816 O ARG A 117 101.048 2.818 1.879 1.00 0.00 O ATOM 1817 CB ARG A 117 99.070 4.427 3.546 1.00 0.00 C ATOM 1818 CG ARG A 117 98.330 3.151 3.164 1.00 0.00 C ATOM 1819 CD ARG A 117 98.580 2.023 4.158 1.00 0.00 C ATOM 1820 NE ARG A 117 98.355 2.433 5.547 1.00 0.00 N ATOM 1821 CZ ARG A 117 97.353 1.993 6.307 1.00 0.00 C ATOM 1822 NH1 ARG A 117 96.417 1.207 5.789 1.00 0.00 N ATOM 1823 NH2 ARG A 117 97.274 2.363 7.580 1.00 0.00 N ATOM 0 H ARG A 117 100.594 6.322 4.118 1.00 0.00 H new ATOM 0 HA ARG A 117 100.764 3.433 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 117 98.636 4.821 4.465 1.00 0.00 H new ATOM 0 HB3 ARG A 117 98.904 5.173 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 117 97.261 3.355 3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.645 2.834 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.926 1.184 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 117 99.605 1.669 4.049 1.00 0.00 H new ATOM 0 HE ARG A 117 99.009 3.099 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 117 96.463 0.938 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 117 95.651 0.872 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 117 97.980 2.984 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 117 96.507 2.026 8.162 1.00 0.00 H new ATOM 1837 N LEU A 118 102.133 4.777 1.941 1.00 0.00 N ATOM 1838 CA LEU A 118 102.856 4.515 0.703 1.00 0.00 C ATOM 1839 C LEU A 118 103.921 3.446 0.935 1.00 0.00 C ATOM 1840 O LEU A 118 104.860 3.654 1.705 1.00 0.00 O ATOM 1841 CB LEU A 118 103.497 5.798 0.172 1.00 0.00 C ATOM 1842 CG LEU A 118 104.233 5.665 -1.164 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.286 5.186 -2.256 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.863 6.993 -1.554 1.00 0.00 C ATOM 0 H LEU A 118 102.345 5.675 2.376 1.00 0.00 H new ATOM 0 HA LEU A 118 102.149 4.152 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.719 6.554 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.200 6.168 0.919 1.00 0.00 H new ATOM 0 HG LEU A 118 105.024 4.924 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.830 5.099 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.877 4.214 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.473 5.902 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.383 6.884 -2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.085 7.750 -1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.573 7.298 -0.786 1.00 0.00 H new ATOM 1856 N SER A 119 103.754 2.302 0.283 1.00 0.00 N ATOM 1857 CA SER A 119 104.664 1.173 0.448 1.00 0.00 C ATOM 1858 C SER A 119 106.015 1.451 -0.210 1.00 0.00 C ATOM 1859 O SER A 119 107.067 1.197 0.377 1.00 0.00 O ATOM 1860 CB SER A 119 104.035 -0.083 -0.157 1.00 0.00 C ATOM 1861 OG SER A 119 102.679 -0.213 0.243 1.00 0.00 O ATOM 0 H SER A 119 102.990 2.130 -0.371 1.00 0.00 H new ATOM 0 HA SER A 119 104.835 1.021 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.095 -0.037 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.597 -0.963 0.156 1.00 0.00 H new ATOM 0 HG SER A 119 102.301 -1.030 -0.144 1.00 0.00 H new ATOM 1867 N VAL A 120 105.975 1.975 -1.428 1.00 0.00 N ATOM 1868 CA VAL A 120 107.186 2.266 -2.180 1.00 0.00 C ATOM 1869 C VAL A 120 107.315 3.763 -2.421 1.00 0.00 C ATOM 1870 O VAL A 120 106.522 4.356 -3.154 1.00 0.00 O ATOM 1871 CB VAL A 120 107.203 1.531 -3.534 1.00 0.00 C ATOM 1872 CG1 VAL A 120 108.464 1.872 -4.312 1.00 0.00 C ATOM 1873 CG2 VAL A 120 107.091 0.028 -3.334 1.00 0.00 C ATOM 0 H VAL A 120 105.111 2.208 -1.918 1.00 0.00 H new ATOM 0 HA VAL A 120 108.029 1.915 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 120 106.341 1.864 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 120 108.458 1.343 -5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.500 2.946 -4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 120 109.339 1.571 -3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 120 107.105 -0.470 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.930 -0.323 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 120 106.157 -0.202 -2.821 1.00 0.00 H new ATOM 1883 N GLN A 121 108.318 4.366 -1.803 1.00 0.00 N ATOM 1884 CA GLN A 121 108.505 5.809 -1.873 1.00 0.00 C ATOM 1885 C GLN A 121 109.679 6.165 -2.780 1.00 0.00 C ATOM 1886 O GLN A 121 110.675 5.444 -2.819 1.00 0.00 O ATOM 1887 CB GLN A 121 108.758 6.362 -0.473 1.00 0.00 C ATOM 1888 CG GLN A 121 107.740 5.908 0.558 1.00 0.00 C ATOM 1889 CD GLN A 121 108.111 6.328 1.965 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.246 6.547 2.809 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.405 6.438 2.228 1.00 0.00 N ATOM 0 H GLN A 121 109.018 3.878 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 121 107.600 6.252 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.752 6.058 -0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.756 7.451 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.763 6.320 0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.648 4.823 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 121 110.092 6.247 1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 121 109.714 6.714 3.160 1.00 0.00 H new ATOM 1900 N PRO A 122 109.566 7.270 -3.534 1.00 0.00 N ATOM 1901 CA PRO A 122 110.658 7.792 -4.356 1.00 0.00 C ATOM 1902 C PRO A 122 111.667 8.588 -3.527 1.00 0.00 C ATOM 1903 O PRO A 122 111.287 9.434 -2.716 1.00 0.00 O ATOM 1904 CB PRO A 122 109.953 8.717 -5.364 1.00 0.00 C ATOM 1905 CG PRO A 122 108.486 8.598 -5.080 1.00 0.00 C ATOM 1906 CD PRO A 122 108.366 8.094 -3.671 1.00 0.00 C ATOM 0 HA PRO A 122 111.228 6.991 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.290 9.747 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.177 8.420 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 122 107.990 9.562 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.009 7.912 -5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.347 8.909 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.455 7.514 -3.522 1.00 0.00 H new ATOM 1914 N VAL A 123 112.945 8.308 -3.735 1.00 0.00 N ATOM 1915 CA VAL A 123 114.018 8.967 -2.999 1.00 0.00 C ATOM 1916 C VAL A 123 115.017 9.598 -3.967 1.00 0.00 C ATOM 1917 O VAL A 123 115.389 8.988 -4.973 1.00 0.00 O ATOM 1918 CB VAL A 123 114.758 7.965 -2.077 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.931 8.628 -1.373 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.806 7.368 -1.056 1.00 0.00 C ATOM 0 H VAL A 123 113.268 7.621 -4.416 1.00 0.00 H new ATOM 0 HA VAL A 123 113.569 9.745 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 123 115.145 7.163 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.430 7.900 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.636 9.003 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.569 9.457 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.347 6.668 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.384 8.164 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.002 6.843 -1.572 1.00 0.00 H new ATOM 1930 N THR A 124 115.438 10.820 -3.677 1.00 0.00 N ATOM 1931 CA THR A 124 116.409 11.505 -4.518 1.00 0.00 C ATOM 1932 C THR A 124 117.836 11.179 -4.084 1.00 0.00 C ATOM 1933 O THR A 124 118.050 10.560 -3.038 1.00 0.00 O ATOM 1934 CB THR A 124 116.200 13.028 -4.478 1.00 0.00 C ATOM 1935 OG1 THR A 124 116.368 13.512 -3.139 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.813 13.392 -4.985 1.00 0.00 C ATOM 0 H THR A 124 115.124 11.357 -2.868 1.00 0.00 H new ATOM 0 HA THR A 124 116.258 11.153 -5.538 1.00 0.00 H new ATOM 0 HB THR A 124 116.943 13.494 -5.126 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.499 13.531 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.685 14.474 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.699 13.047 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.060 12.916 -4.357 1.00 0.00 H new ATOM 1944 N ALA A 125 118.811 11.609 -4.882 1.00 0.00 N ATOM 1945 CA ALA A 125 120.220 11.362 -4.583 1.00 0.00 C ATOM 1946 C ALA A 125 120.622 12.018 -3.268 1.00 0.00 C ATOM 1947 O ALA A 125 121.378 11.441 -2.486 1.00 0.00 O ATOM 1948 CB ALA A 125 121.097 11.869 -5.718 1.00 0.00 C ATOM 0 H ALA A 125 118.650 12.132 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 125 120.363 10.286 -4.482 1.00 0.00 H new ATOM 0 HB1 ALA A 125 122.144 11.679 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.833 11.352 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.943 12.940 -5.846 1.00 0.00 H new ATOM 1954 N GLU A 126 120.099 13.217 -3.033 1.00 0.00 N ATOM 1955 CA GLU A 126 120.368 13.952 -1.803 1.00 0.00 C ATOM 1956 C GLU A 126 119.955 13.127 -0.588 1.00 0.00 C ATOM 1957 O GLU A 126 120.769 12.845 0.294 1.00 0.00 O ATOM 1958 CB GLU A 126 119.604 15.280 -1.816 1.00 0.00 C ATOM 1959 CG GLU A 126 119.851 16.151 -0.596 1.00 0.00 C ATOM 1960 CD GLU A 126 121.270 16.677 -0.526 1.00 0.00 C ATOM 1961 OE1 GLU A 126 121.570 17.668 -1.222 1.00 0.00 O ATOM 1962 OE2 GLU A 126 122.082 16.122 0.236 1.00 0.00 O ATOM 0 H GLU A 126 119.482 13.703 -3.684 1.00 0.00 H new ATOM 0 HA GLU A 126 121.438 14.152 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.883 15.838 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 126 118.537 15.072 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 126 119.157 16.992 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.637 15.575 0.305 1.00 0.00 H new ATOM 1969 N GLU A 127 118.689 12.723 -0.573 1.00 0.00 N ATOM 1970 CA GLU A 127 118.132 11.940 0.524 1.00 0.00 C ATOM 1971 C GLU A 127 118.871 10.615 0.671 1.00 0.00 C ATOM 1972 O GLU A 127 119.254 10.225 1.776 1.00 0.00 O ATOM 1973 CB GLU A 127 116.649 11.680 0.270 1.00 0.00 C ATOM 1974 CG GLU A 127 115.829 12.949 0.109 1.00 0.00 C ATOM 1975 CD GLU A 127 114.471 12.683 -0.502 1.00 0.00 C ATOM 1976 OE1 GLU A 127 113.517 12.419 0.246 1.00 0.00 O ATOM 1977 OE2 GLU A 127 114.361 12.740 -1.744 1.00 0.00 O ATOM 0 H GLU A 127 118.023 12.928 -1.318 1.00 0.00 H new ATOM 0 HA GLU A 127 118.249 12.505 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.544 11.073 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.244 11.098 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.700 13.421 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.375 13.654 -0.518 1.00 0.00 H new ATOM 1984 N TRP A 128 119.072 9.938 -0.457 1.00 0.00 N ATOM 1985 CA TRP A 128 119.750 8.648 -0.485 1.00 0.00 C ATOM 1986 C TRP A 128 121.125 8.714 0.172 1.00 0.00 C ATOM 1987 O TRP A 128 121.382 8.027 1.163 1.00 0.00 O ATOM 1988 CB TRP A 128 119.901 8.160 -1.929 1.00 0.00 C ATOM 1989 CG TRP A 128 120.597 6.839 -2.028 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.921 6.621 -2.286 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.003 5.554 -1.858 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.186 5.274 -2.272 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.022 4.597 -2.013 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.705 5.122 -1.585 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.779 3.233 -1.900 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.466 3.770 -1.476 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.496 2.840 -1.630 1.00 0.00 C ATOM 0 H TRP A 128 118.770 10.268 -1.374 1.00 0.00 H new ATOM 0 HA TRP A 128 119.136 7.948 0.081 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.914 8.080 -2.385 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.458 8.902 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.651 7.394 -2.473 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.099 4.847 -2.429 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.903 5.834 -1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.573 2.511 -2.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.465 3.423 -1.268 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.275 1.787 -1.534 1.00 0.00 H new ATOM 2008 N LYS A 129 122.000 9.545 -0.381 1.00 0.00 N ATOM 2009 CA LYS A 129 123.385 9.607 0.070 1.00 0.00 C ATOM 2010 C LYS A 129 123.477 10.082 1.515 1.00 0.00 C ATOM 2011 O LYS A 129 124.373 9.672 2.255 1.00 0.00 O ATOM 2012 CB LYS A 129 124.204 10.524 -0.837 1.00 0.00 C ATOM 2013 CG LYS A 129 124.291 10.037 -2.277 1.00 0.00 C ATOM 2014 CD LYS A 129 125.201 10.925 -3.112 1.00 0.00 C ATOM 2015 CE LYS A 129 125.441 10.346 -4.500 1.00 0.00 C ATOM 2016 NZ LYS A 129 126.216 9.077 -4.452 1.00 0.00 N ATOM 0 H LYS A 129 121.775 10.185 -1.142 1.00 0.00 H new ATOM 0 HA LYS A 129 123.795 8.598 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.763 11.521 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.212 10.616 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.665 9.013 -2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.294 10.020 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.757 11.916 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 129 126.155 11.050 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 129 124.483 10.167 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 129 125.977 11.075 -5.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 126.559 8.844 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 127.027 9.189 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 125.605 8.310 -4.107 1.00 0.00 H new ATOM 2030 N LEU A 130 122.538 10.927 1.915 1.00 0.00 N ATOM 2031 CA LEU A 130 122.525 11.480 3.261 1.00 0.00 C ATOM 2032 C LEU A 130 122.269 10.389 4.299 1.00 0.00 C ATOM 2033 O LEU A 130 122.980 10.298 5.301 1.00 0.00 O ATOM 2034 CB LEU A 130 121.463 12.574 3.368 1.00 0.00 C ATOM 2035 CG LEU A 130 121.391 13.288 4.715 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.742 13.882 5.081 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.326 14.369 4.672 1.00 0.00 C ATOM 0 H LEU A 130 121.771 11.246 1.323 1.00 0.00 H new ATOM 0 HA LEU A 130 123.504 11.914 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.651 13.316 2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.489 12.133 3.157 1.00 0.00 H new ATOM 0 HG LEU A 130 121.123 12.561 5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.669 14.386 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.484 13.086 5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.043 14.600 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.281 14.874 5.637 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.573 15.093 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.358 13.918 4.453 1.00 0.00 H new ATOM 2049 N VAL A 131 121.263 9.559 4.050 1.00 0.00 N ATOM 2050 CA VAL A 131 120.937 8.453 4.946 1.00 0.00 C ATOM 2051 C VAL A 131 122.079 7.442 4.981 1.00 0.00 C ATOM 2052 O VAL A 131 122.474 6.968 6.048 1.00 0.00 O ATOM 2053 CB VAL A 131 119.632 7.749 4.511 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.355 6.526 5.371 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.461 8.717 4.573 1.00 0.00 C ATOM 0 H VAL A 131 120.657 9.630 3.233 1.00 0.00 H new ATOM 0 HA VAL A 131 120.791 8.866 5.944 1.00 0.00 H new ATOM 0 HB VAL A 131 119.757 7.415 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.431 6.051 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.180 5.820 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.256 6.829 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.549 8.206 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.344 9.082 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.649 9.559 3.906 1.00 0.00 H new ATOM 2065 N CYS A 132 122.619 7.136 3.809 1.00 0.00 N ATOM 2066 CA CYS A 132 123.740 6.215 3.695 1.00 0.00 C ATOM 2067 C CYS A 132 124.933 6.708 4.514 1.00 0.00 C ATOM 2068 O CYS A 132 125.483 5.979 5.341 1.00 0.00 O ATOM 2069 CB CYS A 132 124.140 6.067 2.226 1.00 0.00 C ATOM 2070 SG CYS A 132 122.832 5.408 1.168 1.00 0.00 S ATOM 0 H CYS A 132 122.296 7.515 2.919 1.00 0.00 H new ATOM 0 HA CYS A 132 123.433 5.245 4.086 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.445 7.041 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 132 125.009 5.412 2.161 1.00 0.00 H new ATOM 0 HG CYS A 132 121.963 6.342 0.920 1.00 0.00 H new ATOM 2076 N LYS A 133 125.307 7.960 4.294 1.00 0.00 N ATOM 2077 CA LYS A 133 126.439 8.564 4.985 1.00 0.00 C ATOM 2078 C LYS A 133 126.163 8.696 6.482 1.00 0.00 C ATOM 2079 O LYS A 133 127.085 8.635 7.298 1.00 0.00 O ATOM 2080 CB LYS A 133 126.746 9.923 4.353 1.00 0.00 C ATOM 2081 CG LYS A 133 127.845 10.712 5.055 1.00 0.00 C ATOM 2082 CD LYS A 133 128.163 12.012 4.323 1.00 0.00 C ATOM 2083 CE LYS A 133 127.040 13.035 4.441 1.00 0.00 C ATOM 2084 NZ LYS A 133 126.892 13.549 5.830 1.00 0.00 N ATOM 0 H LYS A 133 124.839 8.583 3.636 1.00 0.00 H new ATOM 0 HA LYS A 133 127.311 7.919 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.034 9.769 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.835 10.521 4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.537 10.936 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.746 10.102 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 133 129.082 12.437 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.346 11.797 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 133 127.237 13.868 3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.102 12.581 4.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.238 14.358 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 126.514 12.796 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.820 13.852 6.189 1.00 0.00 H new ATOM 2098 N MET A 134 124.890 8.851 6.839 1.00 0.00 N ATOM 2099 CA MET A 134 124.490 8.932 8.241 1.00 0.00 C ATOM 2100 C MET A 134 124.749 7.605 8.946 1.00 0.00 C ATOM 2101 O MET A 134 125.130 7.569 10.118 1.00 0.00 O ATOM 2102 CB MET A 134 123.007 9.281 8.369 1.00 0.00 C ATOM 2103 CG MET A 134 122.559 9.454 9.812 1.00 0.00 C ATOM 2104 SD MET A 134 120.782 9.263 10.035 1.00 0.00 S ATOM 2105 CE MET A 134 120.147 10.400 8.813 1.00 0.00 C ATOM 0 H MET A 134 124.118 8.923 6.176 1.00 0.00 H new ATOM 0 HA MET A 134 125.083 9.718 8.708 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.807 10.201 7.820 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.413 8.496 7.902 1.00 0.00 H new ATOM 0 HG2 MET A 134 123.077 8.725 10.436 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.858 10.442 10.162 1.00 0.00 H new ATOM 0 HE1 MET A 134 119.101 10.619 9.029 1.00 0.00 H new ATOM 0 HE2 MET A 134 120.725 11.324 8.841 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.227 9.952 7.823 1.00 0.00 H new ATOM 2115 N GLY A 135 124.544 6.517 8.216 1.00 0.00 N ATOM 2116 CA GLY A 135 124.735 5.196 8.776 1.00 0.00 C ATOM 2117 C GLY A 135 126.188 4.763 8.763 1.00 0.00 C ATOM 2118 O GLY A 135 126.493 3.595 9.011 1.00 0.00 O ATOM 0 H GLY A 135 124.247 6.528 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 135 124.365 5.183 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 135 124.140 4.477 8.213 1.00 0.00 H new ATOM 2122 N GLY A 136 127.085 5.697 8.467 1.00 0.00 N ATOM 2123 CA GLY A 136 128.503 5.392 8.448 1.00 0.00 C ATOM 2124 C GLY A 136 128.889 4.540 7.257 1.00 0.00 C ATOM 2125 O GLY A 136 129.901 3.845 7.278 1.00 0.00 O ATOM 0 H GLY A 136 126.854 6.664 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 136 129.072 6.321 8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.773 4.872 9.367 1.00 0.00 H new ATOM 2129 N LEU A 137 128.075 4.595 6.215 1.00 0.00 N ATOM 2130 CA LEU A 137 128.313 3.805 5.016 1.00 0.00 C ATOM 2131 C LEU A 137 129.393 4.442 4.150 1.00 0.00 C ATOM 2132 O LEU A 137 129.995 3.782 3.300 1.00 0.00 O ATOM 2133 CB LEU A 137 127.018 3.671 4.222 1.00 0.00 C ATOM 2134 CG LEU A 137 127.129 2.912 2.904 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.186 1.412 3.145 1.00 0.00 C ATOM 2136 CD2 LEU A 137 125.969 3.283 2.006 1.00 0.00 C ATOM 0 H LEU A 137 127.241 5.180 6.175 1.00 0.00 H new ATOM 0 HA LEU A 137 128.658 2.816 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.279 3.170 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.635 4.670 4.014 1.00 0.00 H new ATOM 0 HG LEU A 137 128.057 3.194 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 137 127.265 0.893 2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.054 1.175 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.280 1.091 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.050 2.740 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.031 3.022 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 137 125.989 4.355 1.809 1.00 0.00 H new ATOM 2148 N LEU A 138 129.636 5.725 4.365 1.00 0.00 N ATOM 2149 CA LEU A 138 130.651 6.432 3.608 1.00 0.00 C ATOM 2150 C LEU A 138 132.023 6.089 4.172 1.00 0.00 C ATOM 2151 O LEU A 138 132.493 6.702 5.131 1.00 0.00 O ATOM 2152 CB LEU A 138 130.393 7.949 3.630 1.00 0.00 C ATOM 2153 CG LEU A 138 131.143 8.768 2.569 1.00 0.00 C ATOM 2154 CD1 LEU A 138 130.455 10.106 2.349 1.00 0.00 C ATOM 2155 CD2 LEU A 138 132.592 8.996 2.971 1.00 0.00 C ATOM 0 H LEU A 138 129.146 6.294 5.055 1.00 0.00 H new ATOM 0 HA LEU A 138 130.612 6.118 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 138 129.324 8.119 3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 138 130.663 8.331 4.615 1.00 0.00 H new ATOM 0 HG LEU A 138 131.129 8.199 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 138 130.998 10.675 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 138 129.433 9.938 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 138 130.440 10.666 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 138 133.096 9.578 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 138 132.626 9.538 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 138 133.093 8.035 3.086 1.00 0.00 H new ATOM 2167 N GLU A 139 132.632 5.066 3.600 1.00 0.00 N ATOM 2168 CA GLU A 139 133.945 4.627 4.022 1.00 0.00 C ATOM 2169 C GLU A 139 134.996 5.206 3.086 1.00 0.00 C ATOM 2170 O GLU A 139 135.087 4.808 1.923 1.00 0.00 O ATOM 2171 CB GLU A 139 134.008 3.095 4.019 1.00 0.00 C ATOM 2172 CG GLU A 139 135.221 2.522 4.732 1.00 0.00 C ATOM 2173 CD GLU A 139 135.239 2.856 6.210 1.00 0.00 C ATOM 2174 OE1 GLU A 139 134.395 2.320 6.956 1.00 0.00 O ATOM 2175 OE2 GLU A 139 136.100 3.656 6.631 1.00 0.00 O ATOM 0 H GLU A 139 132.232 4.521 2.836 1.00 0.00 H new ATOM 0 HA GLU A 139 134.141 4.979 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 139 133.106 2.704 4.489 1.00 0.00 H new ATOM 0 HB3 GLU A 139 134.007 2.744 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 139 135.233 1.439 4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 139 136.128 2.907 4.265 1.00 0.00 H new ATOM 2182 N HIS A 140 135.755 6.174 3.581 1.00 0.00 N ATOM 2183 CA HIS A 140 136.796 6.811 2.784 1.00 0.00 C ATOM 2184 C HIS A 140 137.867 5.783 2.431 1.00 0.00 C ATOM 2185 O HIS A 140 138.606 5.330 3.303 1.00 0.00 O ATOM 2186 CB HIS A 140 137.414 7.989 3.550 1.00 0.00 C ATOM 2187 CG HIS A 140 138.142 8.975 2.683 1.00 0.00 C ATOM 2188 ND1 HIS A 140 138.095 10.335 2.896 1.00 0.00 N ATOM 2189 CD2 HIS A 140 138.948 8.798 1.606 1.00 0.00 C ATOM 2190 CE1 HIS A 140 138.834 10.948 1.992 1.00 0.00 C ATOM 2191 NE2 HIS A 140 139.363 10.039 1.198 1.00 0.00 N ATOM 0 H HIS A 140 135.670 6.536 4.531 1.00 0.00 H new ATOM 0 HA HIS A 140 136.356 7.198 1.865 1.00 0.00 H new ATOM 0 HB2 HIS A 140 136.624 8.511 4.090 1.00 0.00 H new ATOM 0 HB3 HIS A 140 138.106 7.599 4.297 1.00 0.00 H new ATOM 0 HD2 HIS A 140 139.213 7.854 1.154 1.00 0.00 H new ATOM 0 HE1 HIS A 140 138.981 12.015 1.915 1.00 0.00 H new ATOM 0 HE2 HIS A 140 139.981 10.228 0.409 1.00 0.00 H new ATOM 2200 N HIS A 141 137.928 5.417 1.152 1.00 0.00 N ATOM 2201 CA HIS A 141 138.834 4.371 0.674 1.00 0.00 C ATOM 2202 C HIS A 141 140.266 4.619 1.139 1.00 0.00 C ATOM 2203 O HIS A 141 140.895 3.738 1.723 1.00 0.00 O ATOM 2204 CB HIS A 141 138.776 4.272 -0.855 1.00 0.00 C ATOM 2205 CG HIS A 141 139.629 3.179 -1.432 1.00 0.00 C ATOM 2206 ND1 HIS A 141 140.398 3.343 -2.563 1.00 0.00 N ATOM 2207 CD2 HIS A 141 139.828 1.901 -1.029 1.00 0.00 C ATOM 2208 CE1 HIS A 141 141.028 2.215 -2.834 1.00 0.00 C ATOM 2209 NE2 HIS A 141 140.701 1.327 -1.917 1.00 0.00 N ATOM 0 H HIS A 141 137.354 5.834 0.419 1.00 0.00 H new ATOM 0 HA HIS A 141 138.505 3.423 1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 141 137.742 4.110 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 141 139.088 5.225 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 141 139.382 1.423 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS A 141 141.697 2.048 -3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 141 141.042 0.367 -1.875 1.00 0.00 H new ATOM 2218 N HIS A 142 140.782 5.810 0.876 1.00 0.00 N ATOM 2219 CA HIS A 142 142.103 6.172 1.361 1.00 0.00 C ATOM 2220 C HIS A 142 142.024 6.585 2.825 1.00 0.00 C ATOM 2221 O HIS A 142 141.648 7.715 3.145 1.00 0.00 O ATOM 2222 CB HIS A 142 142.713 7.304 0.530 1.00 0.00 C ATOM 2223 CG HIS A 142 144.169 7.530 0.810 1.00 0.00 C ATOM 2224 ND1 HIS A 142 144.639 8.520 1.645 1.00 0.00 N ATOM 2225 CD2 HIS A 142 145.264 6.874 0.358 1.00 0.00 C ATOM 2226 CE1 HIS A 142 145.956 8.463 1.694 1.00 0.00 C ATOM 2227 NE2 HIS A 142 146.362 7.473 0.923 1.00 0.00 N ATOM 0 H HIS A 142 140.311 6.535 0.335 1.00 0.00 H new ATOM 0 HA HIS A 142 142.748 5.299 1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 142 142.585 7.077 -0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 142 142.165 8.226 0.727 1.00 0.00 H new ATOM 0 HD2 HIS A 142 145.272 6.035 -0.322 1.00 0.00 H new ATOM 0 HE1 HIS A 142 146.595 9.117 2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 142 147.332 7.198 0.772 1.00 0.00 H new ATOM 2236 N HIS A 143 142.346 5.655 3.705 1.00 0.00 N ATOM 2237 CA HIS A 143 142.390 5.937 5.131 1.00 0.00 C ATOM 2238 C HIS A 143 143.738 6.538 5.495 1.00 0.00 C ATOM 2239 O HIS A 143 144.648 6.583 4.667 1.00 0.00 O ATOM 2240 CB HIS A 143 142.153 4.664 5.950 1.00 0.00 C ATOM 2241 CG HIS A 143 140.762 4.119 5.838 1.00 0.00 C ATOM 2242 ND1 HIS A 143 140.458 2.965 5.148 1.00 0.00 N ATOM 2243 CD2 HIS A 143 139.591 4.567 6.350 1.00 0.00 C ATOM 2244 CE1 HIS A 143 139.163 2.730 5.236 1.00 0.00 C ATOM 2245 NE2 HIS A 143 138.616 3.686 5.961 1.00 0.00 N ATOM 0 H HIS A 143 142.582 4.694 3.458 1.00 0.00 H new ATOM 0 HA HIS A 143 141.597 6.648 5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 143 142.859 3.899 5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 143 142.367 4.873 6.998 1.00 0.00 H new ATOM 0 HD2 HIS A 143 139.452 5.453 6.952 1.00 0.00 H new ATOM 0 HE1 HIS A 143 138.640 1.897 4.790 1.00 0.00 H new ATOM 0 HE2 HIS A 143 137.626 3.758 6.195 1.00 0.00 H new ATOM 2254 N HIS A 144 143.869 6.996 6.726 1.00 0.00 N ATOM 2255 CA HIS A 144 145.124 7.562 7.188 1.00 0.00 C ATOM 2256 C HIS A 144 145.463 7.024 8.564 1.00 0.00 C ATOM 2257 O HIS A 144 144.600 6.487 9.260 1.00 0.00 O ATOM 2258 CB HIS A 144 145.069 9.100 7.230 1.00 0.00 C ATOM 2259 CG HIS A 144 144.155 9.665 8.283 1.00 0.00 C ATOM 2260 ND1 HIS A 144 144.545 9.891 9.591 1.00 0.00 N ATOM 2261 CD2 HIS A 144 142.863 10.066 8.209 1.00 0.00 C ATOM 2262 CE1 HIS A 144 143.533 10.402 10.267 1.00 0.00 C ATOM 2263 NE2 HIS A 144 142.503 10.519 9.452 1.00 0.00 N ATOM 0 H HIS A 144 143.124 6.988 7.423 1.00 0.00 H new ATOM 0 HA HIS A 144 145.900 7.270 6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 144 146.076 9.482 7.398 1.00 0.00 H new ATOM 0 HB3 HIS A 144 144.748 9.466 6.255 1.00 0.00 H new ATOM 0 HD1 HIS A 144 145.470 9.694 9.973 1.00 0.00 H new ATOM 0 HD2 HIS A 144 142.233 10.035 7.332 1.00 0.00 H new ATOM 0 HE1 HIS A 144 143.546 10.678 11.311 1.00 0.00 H new ATOM 2272 N HIS A 145 146.719 7.158 8.941 1.00 0.00 N ATOM 2273 CA HIS A 145 147.151 6.825 10.285 1.00 0.00 C ATOM 2274 C HIS A 145 147.416 8.103 11.059 1.00 0.00 C ATOM 2275 O HIS A 145 146.440 8.732 11.513 1.00 0.00 O ATOM 2276 CB HIS A 145 148.409 5.952 10.261 1.00 0.00 C ATOM 2277 CG HIS A 145 148.153 4.520 9.909 1.00 0.00 C ATOM 2278 ND1 HIS A 145 148.358 3.485 10.795 1.00 0.00 N ATOM 2279 CD2 HIS A 145 147.710 3.949 8.764 1.00 0.00 C ATOM 2280 CE1 HIS A 145 148.055 2.341 10.211 1.00 0.00 C ATOM 2281 NE2 HIS A 145 147.659 2.597 8.980 1.00 0.00 N ATOM 2282 OXT HIS A 145 148.594 8.485 11.191 1.00 0.00 O ATOM 0 H HIS A 145 147.463 7.497 8.331 1.00 0.00 H new ATOM 0 HA HIS A 145 146.360 6.257 10.775 1.00 0.00 H new ATOM 0 HB2 HIS A 145 149.115 6.371 9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 145 148.886 5.995 11.240 1.00 0.00 H new ATOM 0 HD2 HIS A 145 147.446 4.463 7.851 1.00 0.00 H new ATOM 0 HE1 HIS A 145 148.120 1.363 10.664 1.00 0.00 H new ATOM 0 HE2 HIS A 145 147.362 1.900 8.297 1.00 0.00 H new TER 2291 HIS A 145