USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=36 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 8 SER OG : rot -162:sc= 0.976 USER MOD Set 1.2: A 51 TYR OH : rot -15:sc= -0.0799 USER MOD Single : A 1 VAL N :NH3+ 176:sc= 0.714 (180deg=0.649) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= 0.63 (180deg=0.11) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.404 USER MOD Single : A 17 GLN :FLIP amide:sc= 0.827 F(o=-0.0099,f=0.83) USER MOD Single : A 18 GLN : amide:sc= -0.437 K(o=-0.44,f=-6!) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 1.16 (180deg=1) USER MOD Single : A 29 THR OG1 : rot -110:sc= -1.6 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= 1.74 (180deg=1.31) USER MOD Single : A 39 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=-0.11) USER MOD Single : A 40 MET CE :methyl -149:sc= -0.326 (180deg=-2.55!) USER MOD Single : A 43 MET CE :methyl 148:sc= -0.231 (180deg=-1.34) USER MOD Single : A 52 TYR OH : rot 180:sc=-0.00359 USER MOD Single : A 53 HIS : no HE2:sc= -0.326 X(o=-0.33,f=-0.67) USER MOD Single : A 54 SER OG : rot -22:sc= -0.697 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 33:sc= 1.26 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot -160:sc= -3.56! USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 1.19 (180deg=0.775) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.21) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000704 USER MOD Single : A 102 LYS NZ :NH3+ -156:sc= -1.4 (180deg=-2.61!) USER MOD Single : A 110 MET CE :methyl -116:sc= -1.27 (180deg=-2.68!) USER MOD Single : A 113 MET CE :methyl 155:sc= -3.18! (180deg=-5.03!) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.16) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00807 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -2.06 K(o=-2.1,f=-5!) USER MOD Single : A 124 THR OG1 : rot -178:sc= -1.97! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 CYS SG : rot 76:sc= 0.735 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 134:sc= -0.481 (180deg=-3.26!) USER MOD Single : A 140 HIS :FLIP no HD1:sc= -2.03 F(o=-3.1!,f=-2) USER MOD Single : A 141 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.025) USER MOD Single : A 142 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=0) USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 145 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 119.948 4.488 -12.038 1.00 0.00 N ATOM 2 CA VAL A 1 120.613 5.115 -10.867 1.00 0.00 C ATOM 3 C VAL A 1 119.612 5.852 -9.980 1.00 0.00 C ATOM 4 O VAL A 1 119.991 6.699 -9.171 1.00 0.00 O ATOM 5 CB VAL A 1 121.721 6.107 -11.300 1.00 0.00 C ATOM 6 CG1 VAL A 1 122.834 5.383 -12.037 1.00 0.00 C ATOM 7 CG2 VAL A 1 121.151 7.227 -12.161 1.00 0.00 C ATOM 0 H1 VAL A 1 120.665 4.054 -12.654 1.00 0.00 H new ATOM 0 H2 VAL A 1 119.285 3.757 -11.710 1.00 0.00 H new ATOM 0 H3 VAL A 1 119.427 5.213 -12.571 1.00 0.00 H new ATOM 0 HA VAL A 1 121.064 4.300 -10.301 1.00 0.00 H new ATOM 0 HB VAL A 1 122.138 6.554 -10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 1 123.601 6.099 -12.332 1.00 0.00 H new ATOM 0 HG12 VAL A 1 123.273 4.629 -11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 1 122.428 4.900 -12.926 1.00 0.00 H new ATOM 0 HG21 VAL A 1 121.952 7.908 -12.450 1.00 0.00 H new ATOM 0 HG22 VAL A 1 120.696 6.802 -13.056 1.00 0.00 H new ATOM 0 HG23 VAL A 1 120.397 7.774 -11.595 1.00 0.00 H new ATOM 19 N ALA A 2 118.334 5.515 -10.115 1.00 0.00 N ATOM 20 CA ALA A 2 117.298 6.140 -9.309 1.00 0.00 C ATOM 21 C ALA A 2 117.249 5.499 -7.929 1.00 0.00 C ATOM 22 O ALA A 2 117.709 4.368 -7.746 1.00 0.00 O ATOM 23 CB ALA A 2 115.946 6.036 -10.002 1.00 0.00 C ATOM 0 H ALA A 2 117.994 4.814 -10.774 1.00 0.00 H new ATOM 0 HA ALA A 2 117.536 7.197 -9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 2 115.183 6.509 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.993 6.538 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 2 115.693 4.986 -10.150 1.00 0.00 H new ATOM 29 N TYR A 3 116.700 6.216 -6.962 1.00 0.00 N ATOM 30 CA TYR A 3 116.671 5.737 -5.590 1.00 0.00 C ATOM 31 C TYR A 3 115.246 5.693 -5.061 1.00 0.00 C ATOM 32 O TYR A 3 114.441 6.587 -5.330 1.00 0.00 O ATOM 33 CB TYR A 3 117.544 6.623 -4.705 1.00 0.00 C ATOM 34 CG TYR A 3 118.996 6.650 -5.130 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.736 5.477 -5.218 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.627 7.848 -5.432 1.00 0.00 C ATOM 37 CE1 TYR A 3 121.064 5.498 -5.597 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.954 7.877 -5.814 1.00 0.00 C ATOM 39 CZ TYR A 3 121.668 6.701 -5.894 1.00 0.00 C ATOM 40 OH TYR A 3 122.993 6.728 -6.268 1.00 0.00 O ATOM 0 H TYR A 3 116.269 7.130 -7.101 1.00 0.00 H new ATOM 0 HA TYR A 3 117.069 4.722 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 3 117.150 7.639 -4.719 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.481 6.271 -3.675 1.00 0.00 H new ATOM 0 HD1 TYR A 3 119.265 4.533 -4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 3 119.072 8.772 -5.367 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.626 4.578 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.430 8.817 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 3 123.265 7.653 -6.443 1.00 0.00 H new ATOM 50 N TRP A 4 114.936 4.636 -4.323 1.00 0.00 N ATOM 51 CA TRP A 4 113.589 4.422 -3.813 1.00 0.00 C ATOM 52 C TRP A 4 113.637 3.991 -2.348 1.00 0.00 C ATOM 53 O TRP A 4 114.708 3.917 -1.748 1.00 0.00 O ATOM 54 CB TRP A 4 112.879 3.346 -4.646 1.00 0.00 C ATOM 55 CG TRP A 4 112.981 3.563 -6.129 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.970 3.109 -6.956 1.00 0.00 C ATOM 57 CD2 TRP A 4 112.065 4.286 -6.959 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.726 3.509 -8.247 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.563 4.231 -8.275 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.872 4.974 -6.718 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.909 4.836 -9.345 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.225 5.573 -7.782 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.745 5.501 -9.080 1.00 0.00 C ATOM 0 H TRP A 4 115.603 3.910 -4.063 1.00 0.00 H new ATOM 0 HA TRP A 4 113.036 5.358 -3.887 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.302 2.372 -4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.827 3.317 -4.364 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.819 2.521 -6.640 1.00 0.00 H new ATOM 0 HE1 TRP A 4 114.315 3.302 -9.053 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.464 5.036 -5.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 112.307 4.782 -10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.302 6.106 -7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 4 110.215 5.981 -9.889 1.00 0.00 H new ATOM 74 N LEU A 5 112.476 3.705 -1.778 1.00 0.00 N ATOM 75 CA LEU A 5 112.388 3.209 -0.411 1.00 0.00 C ATOM 76 C LEU A 5 111.231 2.223 -0.300 1.00 0.00 C ATOM 77 O LEU A 5 110.121 2.510 -0.756 1.00 0.00 O ATOM 78 CB LEU A 5 112.213 4.384 0.566 1.00 0.00 C ATOM 79 CG LEU A 5 112.280 4.044 2.064 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.716 5.266 2.858 1.00 0.00 C ATOM 81 CD2 LEU A 5 110.931 3.554 2.577 1.00 0.00 C ATOM 0 H LEU A 5 111.575 3.809 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 5 113.310 2.690 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.982 5.126 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.251 4.855 0.365 1.00 0.00 H new ATOM 0 HG LEU A 5 113.010 3.245 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 5 112.760 5.015 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.701 5.587 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 5 111.999 6.073 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.008 3.321 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.181 4.332 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 5 110.637 2.658 2.030 1.00 0.00 H new ATOM 93 N VAL A 6 111.505 1.061 0.285 1.00 0.00 N ATOM 94 CA VAL A 6 110.492 0.026 0.463 1.00 0.00 C ATOM 95 C VAL A 6 110.309 -0.307 1.943 1.00 0.00 C ATOM 96 O VAL A 6 111.281 -0.387 2.702 1.00 0.00 O ATOM 97 CB VAL A 6 110.838 -1.268 -0.316 1.00 0.00 C ATOM 98 CG1 VAL A 6 110.798 -1.021 -1.816 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.199 -1.814 0.094 1.00 0.00 C ATOM 0 H VAL A 6 112.426 0.812 0.646 1.00 0.00 H new ATOM 0 HA VAL A 6 109.561 0.427 0.062 1.00 0.00 H new ATOM 0 HB VAL A 6 110.085 -2.015 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.044 -1.943 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 6 109.799 -0.694 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.522 -0.249 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.412 -2.722 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 6 112.967 -1.069 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.193 -2.043 1.160 1.00 0.00 H new ATOM 109 N LYS A 7 109.060 -0.477 2.349 1.00 0.00 N ATOM 110 CA LYS A 7 108.743 -0.820 3.728 1.00 0.00 C ATOM 111 C LYS A 7 108.541 -2.323 3.880 1.00 0.00 C ATOM 112 O LYS A 7 107.897 -2.962 3.046 1.00 0.00 O ATOM 113 CB LYS A 7 107.488 -0.079 4.193 1.00 0.00 C ATOM 114 CG LYS A 7 107.657 1.428 4.266 1.00 0.00 C ATOM 115 CD LYS A 7 106.386 2.100 4.757 1.00 0.00 C ATOM 116 CE LYS A 7 106.552 3.604 4.867 1.00 0.00 C ATOM 117 NZ LYS A 7 105.298 4.262 5.319 1.00 0.00 N ATOM 0 H LYS A 7 108.246 -0.383 1.741 1.00 0.00 H new ATOM 0 HA LYS A 7 109.585 -0.515 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.668 -0.311 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.201 -0.451 5.177 1.00 0.00 H new ATOM 0 HG2 LYS A 7 108.482 1.672 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 107.919 1.815 3.281 1.00 0.00 H new ATOM 0 HD2 LYS A 7 105.567 1.873 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.111 1.692 5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 7 107.356 3.832 5.567 1.00 0.00 H new ATOM 0 HE3 LYS A 7 106.848 4.010 3.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 105.279 5.244 4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.479 3.747 4.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.258 4.256 6.358 1.00 0.00 H new ATOM 131 N SER A 8 109.097 -2.882 4.944 1.00 0.00 N ATOM 132 CA SER A 8 108.982 -4.306 5.207 1.00 0.00 C ATOM 133 C SER A 8 108.977 -4.573 6.711 1.00 0.00 C ATOM 134 O SER A 8 109.792 -4.018 7.451 1.00 0.00 O ATOM 135 CB SER A 8 110.142 -5.044 4.536 1.00 0.00 C ATOM 136 OG SER A 8 110.065 -6.444 4.750 1.00 0.00 O ATOM 0 H SER A 8 109.635 -2.367 5.642 1.00 0.00 H new ATOM 0 HA SER A 8 108.041 -4.671 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 8 110.134 -4.838 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.088 -4.667 4.926 1.00 0.00 H new ATOM 0 HG SER A 8 110.938 -6.851 4.569 1.00 0.00 H new ATOM 142 N GLU A 9 108.050 -5.408 7.160 1.00 0.00 N ATOM 143 CA GLU A 9 107.974 -5.784 8.565 1.00 0.00 C ATOM 144 C GLU A 9 108.838 -7.013 8.833 1.00 0.00 C ATOM 145 O GLU A 9 108.645 -8.063 8.217 1.00 0.00 O ATOM 146 CB GLU A 9 106.522 -6.046 8.972 1.00 0.00 C ATOM 147 CG GLU A 9 105.656 -4.797 8.946 1.00 0.00 C ATOM 148 CD GLU A 9 104.216 -5.074 9.323 1.00 0.00 C ATOM 149 OE1 GLU A 9 103.963 -5.463 10.483 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.330 -4.900 8.461 1.00 0.00 O ATOM 0 H GLU A 9 107.338 -5.839 6.570 1.00 0.00 H new ATOM 0 HA GLU A 9 108.354 -4.958 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.093 -6.791 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 9 106.504 -6.471 9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.071 -4.058 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 9 105.688 -4.359 7.948 1.00 0.00 H new ATOM 157 N PRO A 10 109.797 -6.894 9.769 1.00 0.00 N ATOM 158 CA PRO A 10 110.776 -7.952 10.055 1.00 0.00 C ATOM 159 C PRO A 10 110.134 -9.209 10.636 1.00 0.00 C ATOM 160 O PRO A 10 110.734 -10.283 10.623 1.00 0.00 O ATOM 161 CB PRO A 10 111.721 -7.309 11.075 1.00 0.00 C ATOM 162 CG PRO A 10 110.928 -6.216 11.699 1.00 0.00 C ATOM 163 CD PRO A 10 109.997 -5.715 10.630 1.00 0.00 C ATOM 0 HA PRO A 10 111.277 -8.289 9.147 1.00 0.00 H new ATOM 0 HB2 PRO A 10 112.049 -8.033 11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 10 112.617 -6.920 10.592 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.371 -6.582 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.578 -5.417 12.056 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.056 -5.361 11.051 1.00 0.00 H new ATOM 0 HD3 PRO A 10 110.432 -4.883 10.077 1.00 0.00 H new ATOM 171 N SER A 11 108.917 -9.072 11.141 1.00 0.00 N ATOM 172 CA SER A 11 108.184 -10.207 11.673 1.00 0.00 C ATOM 173 C SER A 11 107.758 -11.148 10.542 1.00 0.00 C ATOM 174 O SER A 11 107.576 -12.350 10.749 1.00 0.00 O ATOM 175 CB SER A 11 106.963 -9.708 12.443 1.00 0.00 C ATOM 176 OG SER A 11 107.321 -8.653 13.322 1.00 0.00 O ATOM 0 H SER A 11 108.417 -8.184 11.193 1.00 0.00 H new ATOM 0 HA SER A 11 108.830 -10.765 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.202 -9.363 11.743 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.525 -10.529 13.011 1.00 0.00 H new ATOM 0 HG SER A 11 106.526 -8.346 13.805 1.00 0.00 H new ATOM 182 N VAL A 12 107.618 -10.590 9.343 1.00 0.00 N ATOM 183 CA VAL A 12 107.231 -11.368 8.176 1.00 0.00 C ATOM 184 C VAL A 12 108.466 -11.770 7.376 1.00 0.00 C ATOM 185 O VAL A 12 108.683 -12.950 7.100 1.00 0.00 O ATOM 186 CB VAL A 12 106.265 -10.578 7.265 1.00 0.00 C ATOM 187 CG1 VAL A 12 105.832 -11.423 6.076 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.054 -10.101 8.053 1.00 0.00 C ATOM 0 H VAL A 12 107.768 -9.598 9.156 1.00 0.00 H new ATOM 0 HA VAL A 12 106.717 -12.261 8.532 1.00 0.00 H new ATOM 0 HB VAL A 12 106.794 -9.703 6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 12 105.152 -10.847 5.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 106.708 -11.709 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 12 105.325 -12.320 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 12 104.386 -9.547 7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 104.526 -10.961 8.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 105.381 -9.453 8.866 1.00 0.00 H new ATOM 198 N TRP A 13 109.283 -10.786 7.023 1.00 0.00 N ATOM 199 CA TRP A 13 110.498 -11.039 6.262 1.00 0.00 C ATOM 200 C TRP A 13 111.657 -10.250 6.865 1.00 0.00 C ATOM 201 O TRP A 13 111.499 -9.086 7.238 1.00 0.00 O ATOM 202 CB TRP A 13 110.291 -10.653 4.791 1.00 0.00 C ATOM 203 CG TRP A 13 111.401 -11.105 3.891 1.00 0.00 C ATOM 204 CD1 TRP A 13 112.494 -10.383 3.513 1.00 0.00 C ATOM 205 CD2 TRP A 13 111.523 -12.382 3.252 1.00 0.00 C ATOM 206 NE1 TRP A 13 113.293 -11.132 2.685 1.00 0.00 N ATOM 207 CE2 TRP A 13 112.719 -12.364 2.511 1.00 0.00 C ATOM 208 CE3 TRP A 13 110.741 -13.540 3.239 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.150 -13.456 1.763 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.168 -14.625 2.494 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.365 -14.577 1.769 1.00 0.00 C ATOM 0 H TRP A 13 109.125 -9.805 7.252 1.00 0.00 H new ATOM 0 HA TRP A 13 110.735 -12.102 6.308 1.00 0.00 H new ATOM 0 HB2 TRP A 13 109.352 -11.082 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 13 110.194 -9.570 4.718 1.00 0.00 H new ATOM 0 HD1 TRP A 13 112.701 -9.369 3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.171 -10.822 2.268 1.00 0.00 H new ATOM 0 HE3 TRP A 13 109.820 -13.587 3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.070 -13.420 1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 110.569 -15.523 2.471 1.00 0.00 H new ATOM 0 HH2 TRP A 13 112.675 -15.443 1.203 1.00 0.00 H new ATOM 222 N SER A 14 112.813 -10.885 6.975 1.00 0.00 N ATOM 223 CA SER A 14 113.968 -10.251 7.582 1.00 0.00 C ATOM 224 C SER A 14 115.013 -9.885 6.531 1.00 0.00 C ATOM 225 O SER A 14 115.088 -10.503 5.467 1.00 0.00 O ATOM 226 CB SER A 14 114.574 -11.179 8.639 1.00 0.00 C ATOM 227 OG SER A 14 114.787 -12.479 8.115 1.00 0.00 O ATOM 0 H SER A 14 112.974 -11.839 6.651 1.00 0.00 H new ATOM 0 HA SER A 14 113.642 -9.328 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 14 115.519 -10.766 8.991 1.00 0.00 H new ATOM 0 HB3 SER A 14 113.910 -11.235 9.502 1.00 0.00 H new ATOM 0 HG SER A 14 115.176 -13.052 8.809 1.00 0.00 H new ATOM 233 N TRP A 15 115.822 -8.882 6.847 1.00 0.00 N ATOM 234 CA TRP A 15 116.877 -8.424 5.955 1.00 0.00 C ATOM 235 C TRP A 15 117.933 -9.511 5.813 1.00 0.00 C ATOM 236 O TRP A 15 118.446 -9.762 4.724 1.00 0.00 O ATOM 237 CB TRP A 15 117.486 -7.130 6.510 1.00 0.00 C ATOM 238 CG TRP A 15 118.756 -6.687 5.835 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.017 -6.746 6.358 1.00 0.00 C ATOM 240 CD2 TRP A 15 118.890 -6.108 4.529 1.00 0.00 C ATOM 241 NE1 TRP A 15 120.925 -6.245 5.458 1.00 0.00 N ATOM 242 CE2 TRP A 15 120.259 -5.847 4.328 1.00 0.00 C ATOM 243 CE3 TRP A 15 117.989 -5.788 3.511 1.00 0.00 C ATOM 244 CZ2 TRP A 15 120.745 -5.281 3.152 1.00 0.00 C ATOM 245 CZ3 TRP A 15 118.473 -5.226 2.345 1.00 0.00 C ATOM 246 CH2 TRP A 15 119.839 -4.976 2.173 1.00 0.00 C ATOM 0 H TRP A 15 115.765 -8.366 7.725 1.00 0.00 H new ATOM 0 HA TRP A 15 116.467 -8.216 4.967 1.00 0.00 H new ATOM 0 HB2 TRP A 15 116.748 -6.332 6.423 1.00 0.00 H new ATOM 0 HB3 TRP A 15 117.685 -7.266 7.573 1.00 0.00 H new ATOM 0 HD1 TRP A 15 120.264 -7.131 7.337 1.00 0.00 H new ATOM 0 HE1 TRP A 15 121.932 -6.180 5.606 1.00 0.00 H new ATOM 0 HE3 TRP A 15 116.933 -5.976 3.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 121.799 -5.090 3.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 117.784 -4.975 1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.185 -4.534 1.250 1.00 0.00 H new ATOM 257 N ASP A 16 118.217 -10.169 6.927 1.00 0.00 N ATOM 258 CA ASP A 16 119.197 -11.246 6.985 1.00 0.00 C ATOM 259 C ASP A 16 118.845 -12.353 5.998 1.00 0.00 C ATOM 260 O ASP A 16 119.711 -12.876 5.290 1.00 0.00 O ATOM 261 CB ASP A 16 119.239 -11.819 8.403 1.00 0.00 C ATOM 262 CG ASP A 16 119.399 -10.744 9.460 1.00 0.00 C ATOM 263 OD1 ASP A 16 118.412 -10.026 9.740 1.00 0.00 O ATOM 264 OD2 ASP A 16 120.512 -10.604 10.010 1.00 0.00 O ATOM 0 H ASP A 16 117.772 -9.970 7.823 1.00 0.00 H new ATOM 0 HA ASP A 16 120.174 -10.843 6.718 1.00 0.00 H new ATOM 0 HB2 ASP A 16 118.322 -12.377 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 16 120.065 -12.526 8.481 1.00 0.00 H new ATOM 269 N GLN A 17 117.560 -12.686 5.940 1.00 0.00 N ATOM 270 CA GLN A 17 117.077 -13.762 5.085 1.00 0.00 C ATOM 271 C GLN A 17 117.218 -13.385 3.611 1.00 0.00 C ATOM 272 O GLN A 17 117.366 -14.249 2.747 1.00 0.00 O ATOM 273 CB GLN A 17 115.618 -14.077 5.429 1.00 0.00 C ATOM 274 CG GLN A 17 115.132 -15.419 4.910 1.00 0.00 C ATOM 275 CD GLN A 17 113.819 -15.835 5.544 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.903 -16.494 6.689 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 112.741 -15.558 5.023 1.00 0.00 N flip ATOM 0 H GLN A 17 116.830 -12.221 6.480 1.00 0.00 H new ATOM 0 HA GLN A 17 117.681 -14.652 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 17 115.499 -14.054 6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 17 114.982 -13.291 5.022 1.00 0.00 H new ATOM 0 HG2 GLN A 17 115.011 -15.366 3.828 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.887 -16.179 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 17 112.717 -15.049 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 17 111.870 -15.837 5.474 1.00 0.00 H new ATOM 286 N GLN A 18 117.194 -12.088 3.331 1.00 0.00 N ATOM 287 CA GLN A 18 117.351 -11.610 1.965 1.00 0.00 C ATOM 288 C GLN A 18 118.833 -11.538 1.603 1.00 0.00 C ATOM 289 O GLN A 18 119.208 -11.786 0.463 1.00 0.00 O ATOM 290 CB GLN A 18 116.699 -10.234 1.799 1.00 0.00 C ATOM 291 CG GLN A 18 115.888 -10.070 0.517 1.00 0.00 C ATOM 292 CD GLN A 18 116.668 -10.405 -0.741 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.349 -9.555 -1.306 1.00 0.00 O ATOM 294 NE2 GLN A 18 116.545 -11.638 -1.205 1.00 0.00 N ATOM 0 H GLN A 18 117.068 -11.353 4.027 1.00 0.00 H new ATOM 0 HA GLN A 18 116.855 -12.310 1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 18 116.047 -10.049 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 18 117.478 -9.472 1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.007 -10.710 0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 18 115.532 -9.042 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 18 115.969 -12.316 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 18 117.026 -11.911 -2.062 1.00 0.00 H new ATOM 303 N VAL A 19 119.673 -11.210 2.583 1.00 0.00 N ATOM 304 CA VAL A 19 121.120 -11.172 2.376 1.00 0.00 C ATOM 305 C VAL A 19 121.631 -12.548 1.958 1.00 0.00 C ATOM 306 O VAL A 19 122.500 -12.667 1.091 1.00 0.00 O ATOM 307 CB VAL A 19 121.868 -10.709 3.648 1.00 0.00 C ATOM 308 CG1 VAL A 19 123.374 -10.747 3.441 1.00 0.00 C ATOM 309 CG2 VAL A 19 121.431 -9.311 4.047 1.00 0.00 C ATOM 0 H VAL A 19 119.377 -10.967 3.528 1.00 0.00 H new ATOM 0 HA VAL A 19 121.317 -10.450 1.583 1.00 0.00 H new ATOM 0 HB VAL A 19 121.615 -11.399 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 19 123.875 -10.417 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 19 123.683 -11.765 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 19 123.645 -10.086 2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 121.969 -9.004 4.944 1.00 0.00 H new ATOM 0 HG22 VAL A 19 121.650 -8.616 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 19 120.360 -9.308 4.247 1.00 0.00 H new ATOM 319 N ALA A 20 121.063 -13.587 2.561 1.00 0.00 N ATOM 320 CA ALA A 20 121.404 -14.959 2.206 1.00 0.00 C ATOM 321 C ALA A 20 121.064 -15.242 0.744 1.00 0.00 C ATOM 322 O ALA A 20 121.649 -16.128 0.117 1.00 0.00 O ATOM 323 CB ALA A 20 120.680 -15.940 3.116 1.00 0.00 C ATOM 0 H ALA A 20 120.364 -13.504 3.299 1.00 0.00 H new ATOM 0 HA ALA A 20 122.478 -15.087 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 20 120.946 -16.960 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 20 120.971 -15.759 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 119.603 -15.805 3.013 1.00 0.00 H new ATOM 329 N LYS A 21 120.124 -14.474 0.203 1.00 0.00 N ATOM 330 CA LYS A 21 119.708 -14.627 -1.184 1.00 0.00 C ATOM 331 C LYS A 21 120.086 -13.391 -1.991 1.00 0.00 C ATOM 332 O LYS A 21 119.427 -13.062 -2.976 1.00 0.00 O ATOM 333 CB LYS A 21 118.195 -14.851 -1.273 1.00 0.00 C ATOM 334 CG LYS A 21 117.687 -15.963 -0.370 1.00 0.00 C ATOM 335 CD LYS A 21 116.322 -16.471 -0.810 1.00 0.00 C ATOM 336 CE LYS A 21 115.264 -15.381 -0.777 1.00 0.00 C ATOM 337 NZ LYS A 21 113.934 -15.895 -1.191 1.00 0.00 N ATOM 0 H LYS A 21 119.634 -13.736 0.708 1.00 0.00 H new ATOM 0 HA LYS A 21 120.220 -15.496 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 21 117.684 -13.924 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 21 117.931 -15.084 -2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 118.400 -16.788 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 21 117.626 -15.599 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 21 116.395 -16.873 -1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 21 116.016 -17.292 -0.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 115.198 -14.968 0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.561 -14.566 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 113.330 -15.100 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 114.049 -16.554 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 113.490 -16.392 -0.393 1.00 0.00 H new ATOM 351 N GLY A 22 121.160 -12.723 -1.578 1.00 0.00 N ATOM 352 CA GLY A 22 121.597 -11.512 -2.251 1.00 0.00 C ATOM 353 C GLY A 22 121.995 -11.749 -3.696 1.00 0.00 C ATOM 354 O GLY A 22 121.916 -10.842 -4.525 1.00 0.00 O ATOM 0 H GLY A 22 121.738 -13.001 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 22 120.795 -10.774 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 22 122.444 -11.088 -1.711 1.00 0.00 H new ATOM 358 N ALA A 23 122.424 -12.967 -4.003 1.00 0.00 N ATOM 359 CA ALA A 23 122.820 -13.311 -5.360 1.00 0.00 C ATOM 360 C ALA A 23 121.668 -13.961 -6.121 1.00 0.00 C ATOM 361 O ALA A 23 121.732 -14.128 -7.340 1.00 0.00 O ATOM 362 CB ALA A 23 124.031 -14.233 -5.343 1.00 0.00 C ATOM 0 H ALA A 23 122.506 -13.730 -3.331 1.00 0.00 H new ATOM 0 HA ALA A 23 123.088 -12.389 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.314 -14.481 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 23 124.863 -13.732 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.785 -15.147 -4.803 1.00 0.00 H new ATOM 368 N ALA A 24 120.616 -14.323 -5.397 1.00 0.00 N ATOM 369 CA ALA A 24 119.465 -14.987 -5.994 1.00 0.00 C ATOM 370 C ALA A 24 118.342 -13.991 -6.269 1.00 0.00 C ATOM 371 O ALA A 24 117.714 -14.024 -7.326 1.00 0.00 O ATOM 372 CB ALA A 24 118.976 -16.108 -5.088 1.00 0.00 C ATOM 0 H ALA A 24 120.537 -14.167 -4.392 1.00 0.00 H new ATOM 0 HA ALA A 24 119.774 -15.417 -6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.116 -16.596 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.774 -16.837 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.687 -15.695 -4.121 1.00 0.00 H new ATOM 378 N GLY A 25 118.099 -13.107 -5.313 1.00 0.00 N ATOM 379 CA GLY A 25 117.057 -12.116 -5.467 1.00 0.00 C ATOM 380 C GLY A 25 115.782 -12.511 -4.753 1.00 0.00 C ATOM 381 O GLY A 25 115.733 -13.541 -4.076 1.00 0.00 O ATOM 0 H GLY A 25 118.608 -13.059 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.407 -11.160 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.848 -11.973 -6.527 1.00 0.00 H new ATOM 385 N GLU A 26 114.761 -11.682 -4.887 1.00 0.00 N ATOM 386 CA GLU A 26 113.458 -11.956 -4.309 1.00 0.00 C ATOM 387 C GLU A 26 112.372 -11.303 -5.155 1.00 0.00 C ATOM 388 O GLU A 26 112.579 -10.229 -5.723 1.00 0.00 O ATOM 389 CB GLU A 26 113.395 -11.441 -2.866 1.00 0.00 C ATOM 390 CG GLU A 26 112.080 -11.741 -2.163 1.00 0.00 C ATOM 391 CD GLU A 26 111.732 -13.216 -2.181 1.00 0.00 C ATOM 392 OE1 GLU A 26 112.218 -13.955 -1.306 1.00 0.00 O ATOM 393 OE2 GLU A 26 110.971 -13.641 -3.076 1.00 0.00 O ATOM 0 H GLU A 26 114.812 -10.801 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 26 113.295 -13.034 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 26 114.211 -11.886 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.558 -10.363 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 26 112.138 -11.398 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 26 111.280 -11.177 -2.642 1.00 0.00 H new ATOM 400 N ALA A 27 111.221 -11.954 -5.227 1.00 0.00 N ATOM 401 CA ALA A 27 110.125 -11.482 -6.056 1.00 0.00 C ATOM 402 C ALA A 27 109.232 -10.521 -5.283 1.00 0.00 C ATOM 403 O ALA A 27 108.367 -10.940 -4.508 1.00 0.00 O ATOM 404 CB ALA A 27 109.317 -12.661 -6.580 1.00 0.00 C ATOM 0 H ALA A 27 111.022 -12.815 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 27 110.544 -10.941 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.499 -12.295 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 27 109.961 -13.308 -7.175 1.00 0.00 H new ATOM 0 HB3 ALA A 27 108.912 -13.226 -5.741 1.00 0.00 H new ATOM 410 N TRP A 28 109.457 -9.232 -5.484 1.00 0.00 N ATOM 411 CA TRP A 28 108.666 -8.206 -4.829 1.00 0.00 C ATOM 412 C TRP A 28 107.416 -7.934 -5.661 1.00 0.00 C ATOM 413 O TRP A 28 107.427 -7.110 -6.577 1.00 0.00 O ATOM 414 CB TRP A 28 109.504 -6.932 -4.665 1.00 0.00 C ATOM 415 CG TRP A 28 109.077 -6.053 -3.529 1.00 0.00 C ATOM 416 CD1 TRP A 28 108.242 -4.974 -3.586 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.488 -6.172 -2.160 1.00 0.00 C ATOM 418 NE1 TRP A 28 108.109 -4.415 -2.337 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.861 -5.135 -1.445 1.00 0.00 C ATOM 420 CE3 TRP A 28 110.322 -7.058 -1.471 1.00 0.00 C ATOM 421 CZ2 TRP A 28 109.044 -4.960 -0.076 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.502 -6.884 -0.113 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.865 -5.842 0.574 1.00 0.00 C ATOM 0 H TRP A 28 110.186 -8.872 -6.100 1.00 0.00 H new ATOM 0 HA TRP A 28 108.363 -8.543 -3.838 1.00 0.00 H new ATOM 0 HB2 TRP A 28 110.547 -7.214 -4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 28 109.456 -6.358 -5.591 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.757 -4.613 -4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.543 -3.597 -2.111 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.817 -7.864 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.555 -4.156 0.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 111.144 -7.562 0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 28 110.025 -5.733 1.637 1.00 0.00 H new ATOM 434 N THR A 29 106.356 -8.676 -5.372 1.00 0.00 N ATOM 435 CA THR A 29 105.122 -8.586 -6.134 1.00 0.00 C ATOM 436 C THR A 29 103.914 -8.515 -5.200 1.00 0.00 C ATOM 437 O THR A 29 104.058 -8.600 -3.980 1.00 0.00 O ATOM 438 CB THR A 29 104.970 -9.800 -7.081 1.00 0.00 C ATOM 439 OG1 THR A 29 103.815 -9.646 -7.916 1.00 0.00 O ATOM 440 CG2 THR A 29 104.859 -11.101 -6.298 1.00 0.00 C ATOM 0 H THR A 29 106.328 -9.352 -4.609 1.00 0.00 H new ATOM 0 HA THR A 29 105.167 -7.675 -6.730 1.00 0.00 H new ATOM 0 HB THR A 29 105.864 -9.843 -7.704 1.00 0.00 H new ATOM 0 HG1 THR A 29 103.130 -10.294 -7.649 1.00 0.00 H new ATOM 0 HG21 THR A 29 104.753 -11.935 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 29 105.757 -11.241 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 29 103.987 -11.059 -5.645 1.00 0.00 H new ATOM 448 N GLY A 30 102.732 -8.357 -5.781 1.00 0.00 N ATOM 449 CA GLY A 30 101.509 -8.373 -5.007 1.00 0.00 C ATOM 450 C GLY A 30 101.135 -7.013 -4.456 1.00 0.00 C ATOM 451 O GLY A 30 100.195 -6.900 -3.672 1.00 0.00 O ATOM 0 H GLY A 30 102.600 -8.217 -6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.696 -8.741 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.619 -9.075 -4.181 1.00 0.00 H new ATOM 455 N VAL A 31 101.866 -5.979 -4.864 1.00 0.00 N ATOM 456 CA VAL A 31 101.609 -4.623 -4.389 1.00 0.00 C ATOM 457 C VAL A 31 100.187 -4.167 -4.727 1.00 0.00 C ATOM 458 O VAL A 31 99.818 -4.030 -5.896 1.00 0.00 O ATOM 459 CB VAL A 31 102.635 -3.611 -4.950 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.999 -3.837 -4.315 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.730 -3.706 -6.469 1.00 0.00 C ATOM 0 H VAL A 31 102.641 -6.055 -5.523 1.00 0.00 H new ATOM 0 HA VAL A 31 101.715 -4.651 -3.305 1.00 0.00 H new ATOM 0 HB VAL A 31 102.292 -2.607 -4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.712 -3.118 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.924 -3.706 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 31 104.340 -4.849 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.459 -2.983 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.043 -4.711 -6.752 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.756 -3.492 -6.909 1.00 0.00 H new ATOM 471 N ARG A 32 99.387 -3.959 -3.690 1.00 0.00 N ATOM 472 CA ARG A 32 98.004 -3.532 -3.862 1.00 0.00 C ATOM 473 C ARG A 32 97.910 -2.015 -3.990 1.00 0.00 C ATOM 474 O ARG A 32 96.896 -1.484 -4.439 1.00 0.00 O ATOM 475 CB ARG A 32 97.146 -4.025 -2.693 1.00 0.00 C ATOM 476 CG ARG A 32 97.607 -3.525 -1.332 1.00 0.00 C ATOM 477 CD ARG A 32 96.845 -4.201 -0.203 1.00 0.00 C ATOM 478 NE ARG A 32 97.049 -5.651 -0.194 1.00 0.00 N ATOM 479 CZ ARG A 32 96.341 -6.502 0.553 1.00 0.00 C ATOM 480 NH1 ARG A 32 95.418 -6.042 1.386 1.00 0.00 N ATOM 481 NH2 ARG A 32 96.564 -7.810 0.472 1.00 0.00 N ATOM 0 H ARG A 32 99.672 -4.079 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 32 97.626 -3.972 -4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.115 -3.710 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 32 97.149 -5.115 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 32 98.674 -3.714 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 32 97.466 -2.446 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 32 97.166 -3.784 0.752 1.00 0.00 H new ATOM 0 HD3 ARG A 32 95.781 -3.985 -0.304 1.00 0.00 H new ATOM 0 HE ARG A 32 97.777 -6.035 -0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 32 95.249 -5.039 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 32 94.877 -6.692 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 32 97.278 -8.167 -0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 32 96.021 -8.456 1.044 1.00 0.00 H new ATOM 495 N ASN A 33 98.969 -1.321 -3.591 1.00 0.00 N ATOM 496 CA ASN A 33 99.027 0.129 -3.727 1.00 0.00 C ATOM 497 C ASN A 33 99.264 0.495 -5.185 1.00 0.00 C ATOM 498 O ASN A 33 100.325 0.206 -5.738 1.00 0.00 O ATOM 499 CB ASN A 33 100.147 0.713 -2.861 1.00 0.00 C ATOM 500 CG ASN A 33 99.993 0.397 -1.384 1.00 0.00 C ATOM 501 OD1 ASN A 33 100.461 -0.636 -0.911 1.00 0.00 O ATOM 502 ND2 ASN A 33 99.348 1.288 -0.644 1.00 0.00 N ATOM 0 H ASN A 33 99.799 -1.739 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 33 98.078 0.547 -3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 33 101.105 0.327 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 33 100.172 1.795 -2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.226 1.128 0.356 1.00 0.00 H new ATOM 0 HD22 ASN A 33 98.974 2.134 -1.075 1.00 0.00 H new ATOM 509 N HIS A 34 98.277 1.128 -5.805 1.00 0.00 N ATOM 510 CA HIS A 34 98.355 1.457 -7.224 1.00 0.00 C ATOM 511 C HIS A 34 99.494 2.443 -7.488 1.00 0.00 C ATOM 512 O HIS A 34 100.233 2.299 -8.461 1.00 0.00 O ATOM 513 CB HIS A 34 97.020 2.030 -7.713 1.00 0.00 C ATOM 514 CG HIS A 34 96.834 1.951 -9.201 1.00 0.00 C ATOM 515 ND1 HIS A 34 95.891 1.140 -9.799 1.00 0.00 N ATOM 516 CD2 HIS A 34 97.470 2.589 -10.214 1.00 0.00 C ATOM 517 CE1 HIS A 34 95.958 1.280 -11.109 1.00 0.00 C ATOM 518 NE2 HIS A 34 96.906 2.152 -11.386 1.00 0.00 N ATOM 0 H HIS A 34 97.414 1.424 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 34 98.562 0.542 -7.779 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.205 1.494 -7.226 1.00 0.00 H new ATOM 0 HB3 HIS A 34 96.947 3.072 -7.402 1.00 0.00 H new ATOM 0 HD2 HIS A 34 98.271 3.307 -10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 34 95.341 0.767 -11.832 1.00 0.00 H new ATOM 0 HE2 HIS A 34 97.177 2.454 -12.322 1.00 0.00 H new ATOM 527 N SER A 35 99.639 3.432 -6.609 1.00 0.00 N ATOM 528 CA SER A 35 100.723 4.405 -6.721 1.00 0.00 C ATOM 529 C SER A 35 102.087 3.719 -6.604 1.00 0.00 C ATOM 530 O SER A 35 102.998 3.990 -7.388 1.00 0.00 O ATOM 531 CB SER A 35 100.583 5.487 -5.648 1.00 0.00 C ATOM 532 OG SER A 35 99.375 6.216 -5.804 1.00 0.00 O ATOM 0 H SER A 35 99.020 3.581 -5.812 1.00 0.00 H new ATOM 0 HA SER A 35 100.657 4.873 -7.703 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.608 5.027 -4.660 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.431 6.169 -5.704 1.00 0.00 H new ATOM 0 HG SER A 35 99.312 6.899 -5.104 1.00 0.00 H new ATOM 538 N ALA A 36 102.212 2.815 -5.638 1.00 0.00 N ATOM 539 CA ALA A 36 103.461 2.095 -5.419 1.00 0.00 C ATOM 540 C ALA A 36 103.786 1.209 -6.617 1.00 0.00 C ATOM 541 O ALA A 36 104.943 1.089 -7.019 1.00 0.00 O ATOM 542 CB ALA A 36 103.379 1.264 -4.149 1.00 0.00 C ATOM 0 H ALA A 36 101.462 2.563 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 36 104.263 2.824 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.319 0.733 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 36 103.193 1.918 -3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.566 0.544 -4.237 1.00 0.00 H new ATOM 548 N LYS A 37 102.748 0.607 -7.185 1.00 0.00 N ATOM 549 CA LYS A 37 102.881 -0.225 -8.371 1.00 0.00 C ATOM 550 C LYS A 37 103.508 0.571 -9.514 1.00 0.00 C ATOM 551 O LYS A 37 104.446 0.110 -10.167 1.00 0.00 O ATOM 552 CB LYS A 37 101.502 -0.756 -8.778 1.00 0.00 C ATOM 553 CG LYS A 37 101.524 -1.712 -9.959 1.00 0.00 C ATOM 554 CD LYS A 37 100.133 -2.237 -10.285 1.00 0.00 C ATOM 555 CE LYS A 37 99.563 -3.061 -9.140 1.00 0.00 C ATOM 556 NZ LYS A 37 98.245 -3.656 -9.486 1.00 0.00 N ATOM 0 H LYS A 37 101.793 0.683 -6.836 1.00 0.00 H new ATOM 0 HA LYS A 37 103.536 -1.067 -8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.054 -1.263 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.858 0.089 -9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.935 -1.203 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.186 -2.549 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.468 -1.400 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 37 100.176 -2.847 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.263 -3.855 -8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 37 99.456 -2.430 -8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 98.138 -4.569 -8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 97.484 -3.013 -9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 98.190 -3.803 -10.514 1.00 0.00 H new ATOM 570 N LEU A 38 103.001 1.782 -9.724 1.00 0.00 N ATOM 571 CA LEU A 38 103.500 2.654 -10.781 1.00 0.00 C ATOM 572 C LEU A 38 104.959 3.032 -10.541 1.00 0.00 C ATOM 573 O LEU A 38 105.725 3.217 -11.488 1.00 0.00 O ATOM 574 CB LEU A 38 102.644 3.922 -10.872 1.00 0.00 C ATOM 575 CG LEU A 38 101.173 3.696 -11.227 1.00 0.00 C ATOM 576 CD1 LEU A 38 100.415 5.013 -11.208 1.00 0.00 C ATOM 577 CD2 LEU A 38 101.047 3.028 -12.589 1.00 0.00 C ATOM 0 H LEU A 38 102.242 2.183 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 38 103.437 2.108 -11.722 1.00 0.00 H new ATOM 0 HB2 LEU A 38 102.694 4.443 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.083 4.584 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 38 100.736 3.034 -10.479 1.00 0.00 H new ATOM 0 HD11 LEU A 38 99.370 4.835 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 38 100.476 5.454 -10.213 1.00 0.00 H new ATOM 0 HD13 LEU A 38 100.854 5.696 -11.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 99.993 2.876 -12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 38 101.500 3.664 -13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 38 101.557 2.065 -12.571 1.00 0.00 H new ATOM 589 N HIS A 39 105.345 3.131 -9.272 1.00 0.00 N ATOM 590 CA HIS A 39 106.715 3.491 -8.921 1.00 0.00 C ATOM 591 C HIS A 39 107.679 2.348 -9.218 1.00 0.00 C ATOM 592 O HIS A 39 108.822 2.584 -9.600 1.00 0.00 O ATOM 593 CB HIS A 39 106.828 3.899 -7.446 1.00 0.00 C ATOM 594 CG HIS A 39 106.193 5.219 -7.129 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.457 6.372 -7.835 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.299 5.565 -6.174 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.754 7.368 -7.328 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.042 6.906 -6.320 1.00 0.00 N ATOM 0 H HIS A 39 104.732 2.968 -8.473 1.00 0.00 H new ATOM 0 HA HIS A 39 106.988 4.347 -9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.366 3.128 -6.830 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.882 3.939 -7.170 1.00 0.00 H new ATOM 0 HD2 HIS A 39 104.867 4.908 -5.434 1.00 0.00 H new ATOM 0 HE1 HIS A 39 105.761 8.389 -7.680 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.405 7.455 -5.743 1.00 0.00 H new ATOM 607 N MET A 40 107.218 1.112 -9.063 1.00 0.00 N ATOM 608 CA MET A 40 108.076 -0.044 -9.304 1.00 0.00 C ATOM 609 C MET A 40 108.285 -0.261 -10.797 1.00 0.00 C ATOM 610 O MET A 40 109.311 -0.790 -11.219 1.00 0.00 O ATOM 611 CB MET A 40 107.511 -1.309 -8.654 1.00 0.00 C ATOM 612 CG MET A 40 107.338 -1.193 -7.145 1.00 0.00 C ATOM 613 SD MET A 40 107.443 -2.782 -6.297 1.00 0.00 S ATOM 614 CE MET A 40 106.311 -3.773 -7.268 1.00 0.00 C ATOM 0 H MET A 40 106.266 0.885 -8.775 1.00 0.00 H new ATOM 0 HA MET A 40 109.042 0.165 -8.844 1.00 0.00 H new ATOM 0 HB2 MET A 40 106.546 -1.540 -9.105 1.00 0.00 H new ATOM 0 HB3 MET A 40 108.173 -2.147 -8.872 1.00 0.00 H new ATOM 0 HG2 MET A 40 108.102 -0.525 -6.748 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.372 -0.736 -6.930 1.00 0.00 H new ATOM 0 HE1 MET A 40 105.846 -4.525 -6.630 1.00 0.00 H new ATOM 0 HE2 MET A 40 105.540 -3.132 -7.694 1.00 0.00 H new ATOM 0 HE3 MET A 40 106.857 -4.267 -8.072 1.00 0.00 H new ATOM 624 N VAL A 41 107.310 0.155 -11.599 1.00 0.00 N ATOM 625 CA VAL A 41 107.453 0.127 -13.051 1.00 0.00 C ATOM 626 C VAL A 41 108.560 1.087 -13.494 1.00 0.00 C ATOM 627 O VAL A 41 109.242 0.854 -14.493 1.00 0.00 O ATOM 628 CB VAL A 41 106.130 0.509 -13.757 1.00 0.00 C ATOM 629 CG1 VAL A 41 106.272 0.425 -15.270 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.993 -0.380 -13.282 1.00 0.00 C ATOM 0 H VAL A 41 106.414 0.515 -11.269 1.00 0.00 H new ATOM 0 HA VAL A 41 107.715 -0.892 -13.336 1.00 0.00 H new ATOM 0 HB VAL A 41 105.897 1.541 -13.495 1.00 0.00 H new ATOM 0 HG11 VAL A 41 105.327 0.699 -15.740 1.00 0.00 H new ATOM 0 HG12 VAL A 41 107.053 1.109 -15.601 1.00 0.00 H new ATOM 0 HG13 VAL A 41 106.537 -0.593 -15.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 104.072 -0.095 -13.790 1.00 0.00 H new ATOM 0 HG22 VAL A 41 105.226 -1.421 -13.509 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.865 -0.263 -12.206 1.00 0.00 H new ATOM 640 N ALA A 42 108.750 2.151 -12.723 1.00 0.00 N ATOM 641 CA ALA A 42 109.760 3.153 -13.034 1.00 0.00 C ATOM 642 C ALA A 42 111.137 2.716 -12.541 1.00 0.00 C ATOM 643 O ALA A 42 112.147 3.347 -12.847 1.00 0.00 O ATOM 644 CB ALA A 42 109.374 4.496 -12.431 1.00 0.00 C ATOM 0 H ALA A 42 108.216 2.342 -11.875 1.00 0.00 H new ATOM 0 HA ALA A 42 109.812 3.260 -14.117 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.138 5.236 -12.671 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.416 4.817 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.291 4.398 -11.349 1.00 0.00 H new ATOM 650 N MET A 43 111.170 1.633 -11.775 1.00 0.00 N ATOM 651 CA MET A 43 112.428 1.080 -11.287 1.00 0.00 C ATOM 652 C MET A 43 113.104 0.279 -12.388 1.00 0.00 C ATOM 653 O MET A 43 112.465 -0.543 -13.044 1.00 0.00 O ATOM 654 CB MET A 43 112.194 0.165 -10.084 1.00 0.00 C ATOM 655 CG MET A 43 111.589 0.862 -8.881 1.00 0.00 C ATOM 656 SD MET A 43 111.292 -0.273 -7.513 1.00 0.00 S ATOM 657 CE MET A 43 110.584 0.832 -6.299 1.00 0.00 C ATOM 0 H MET A 43 110.340 1.120 -11.478 1.00 0.00 H new ATOM 0 HA MET A 43 113.064 1.911 -10.983 1.00 0.00 H new ATOM 0 HB2 MET A 43 111.537 -0.651 -10.385 1.00 0.00 H new ATOM 0 HB3 MET A 43 113.144 -0.282 -9.791 1.00 0.00 H new ATOM 0 HG2 MET A 43 112.256 1.658 -8.551 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.649 1.333 -9.171 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.863 0.288 -5.688 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.375 1.227 -5.661 1.00 0.00 H new ATOM 0 HE3 MET A 43 110.081 1.656 -6.806 1.00 0.00 H new ATOM 667 N ARG A 44 114.386 0.512 -12.595 1.00 0.00 N ATOM 668 CA ARG A 44 115.128 -0.242 -13.588 1.00 0.00 C ATOM 669 C ARG A 44 116.320 -0.927 -12.937 1.00 0.00 C ATOM 670 O ARG A 44 116.762 -0.534 -11.858 1.00 0.00 O ATOM 671 CB ARG A 44 115.589 0.669 -14.733 1.00 0.00 C ATOM 672 CG ARG A 44 116.808 1.519 -14.407 1.00 0.00 C ATOM 673 CD ARG A 44 116.616 2.960 -14.843 1.00 0.00 C ATOM 674 NE ARG A 44 115.703 3.671 -13.954 1.00 0.00 N ATOM 675 CZ ARG A 44 115.050 4.783 -14.276 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.144 5.292 -15.500 1.00 0.00 N ATOM 677 NH2 ARG A 44 114.282 5.371 -13.369 1.00 0.00 N ATOM 0 H ARG A 44 114.932 1.212 -12.093 1.00 0.00 H new ATOM 0 HA ARG A 44 114.471 -1.003 -14.008 1.00 0.00 H new ATOM 0 HB2 ARG A 44 115.813 0.053 -15.604 1.00 0.00 H new ATOM 0 HB3 ARG A 44 114.766 1.327 -15.011 1.00 0.00 H new ATOM 0 HG2 ARG A 44 117.000 1.485 -13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 44 117.686 1.102 -14.901 1.00 0.00 H new ATOM 0 HD2 ARG A 44 117.580 3.468 -14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 44 116.227 2.984 -15.861 1.00 0.00 H new ATOM 0 HE ARG A 44 115.556 3.288 -13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.721 4.829 -16.202 1.00 0.00 H new ATOM 0 HH12 ARG A 44 114.639 6.146 -15.737 1.00 0.00 H new ATOM 0 HH21 ARG A 44 114.197 4.970 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 44 113.776 6.225 -13.605 1.00 0.00 H new ATOM 691 N ARG A 45 116.816 -1.965 -13.588 1.00 0.00 N ATOM 692 CA ARG A 45 117.985 -2.689 -13.118 1.00 0.00 C ATOM 693 C ARG A 45 119.170 -1.738 -12.993 1.00 0.00 C ATOM 694 O ARG A 45 119.634 -1.174 -13.985 1.00 0.00 O ATOM 695 CB ARG A 45 118.283 -3.832 -14.085 1.00 0.00 C ATOM 696 CG ARG A 45 119.613 -4.529 -13.861 1.00 0.00 C ATOM 697 CD ARG A 45 119.769 -5.698 -14.820 1.00 0.00 C ATOM 698 NE ARG A 45 119.150 -5.413 -16.113 1.00 0.00 N ATOM 699 CZ ARG A 45 119.802 -5.377 -17.270 1.00 0.00 C ATOM 700 NH1 ARG A 45 121.109 -5.604 -17.313 1.00 0.00 N ATOM 701 NH2 ARG A 45 119.133 -5.101 -18.382 1.00 0.00 N ATOM 0 H ARG A 45 116.421 -2.329 -14.455 1.00 0.00 H new ATOM 0 HA ARG A 45 117.795 -3.110 -12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.485 -4.571 -14.008 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.260 -3.443 -15.103 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.430 -3.822 -14.005 1.00 0.00 H new ATOM 0 HG3 ARG A 45 119.676 -4.884 -12.832 1.00 0.00 H new ATOM 0 HD2 ARG A 45 120.828 -5.916 -14.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.316 -6.589 -14.386 1.00 0.00 H new ATOM 0 HE ARG A 45 118.147 -5.229 -16.128 1.00 0.00 H new ATOM 0 HH11 ARG A 45 121.620 -5.808 -16.454 1.00 0.00 H new ATOM 0 HH12 ARG A 45 121.603 -5.575 -18.205 1.00 0.00 H new ATOM 0 HH21 ARG A 45 118.130 -4.920 -18.342 1.00 0.00 H new ATOM 0 HH22 ARG A 45 119.622 -5.070 -19.277 1.00 0.00 H new ATOM 715 N GLY A 46 119.636 -1.555 -11.767 1.00 0.00 N ATOM 716 CA GLY A 46 120.663 -0.568 -11.499 1.00 0.00 C ATOM 717 C GLY A 46 120.196 0.454 -10.482 1.00 0.00 C ATOM 718 O GLY A 46 121.010 1.123 -9.840 1.00 0.00 O ATOM 0 H GLY A 46 119.320 -2.075 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.561 -1.065 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.935 -0.063 -12.426 1.00 0.00 H new ATOM 722 N ASP A 47 118.879 0.579 -10.347 1.00 0.00 N ATOM 723 CA ASP A 47 118.286 1.453 -9.340 1.00 0.00 C ATOM 724 C ASP A 47 118.328 0.766 -7.988 1.00 0.00 C ATOM 725 O ASP A 47 118.402 -0.465 -7.915 1.00 0.00 O ATOM 726 CB ASP A 47 116.835 1.810 -9.690 1.00 0.00 C ATOM 727 CG ASP A 47 116.710 2.656 -10.941 1.00 0.00 C ATOM 728 OD1 ASP A 47 117.719 3.260 -11.372 1.00 0.00 O ATOM 729 OD2 ASP A 47 115.594 2.724 -11.501 1.00 0.00 O ATOM 0 H ASP A 47 118.200 0.084 -10.925 1.00 0.00 H new ATOM 0 HA ASP A 47 118.863 2.377 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 47 116.264 0.891 -9.823 1.00 0.00 H new ATOM 0 HB3 ASP A 47 116.388 2.345 -8.852 1.00 0.00 H new ATOM 734 N ARG A 48 118.277 1.546 -6.921 1.00 0.00 N ATOM 735 CA ARG A 48 118.398 0.990 -5.582 1.00 0.00 C ATOM 736 C ARG A 48 117.418 1.642 -4.616 1.00 0.00 C ATOM 737 O ARG A 48 117.074 2.814 -4.755 1.00 0.00 O ATOM 738 CB ARG A 48 119.835 1.143 -5.077 1.00 0.00 C ATOM 739 CG ARG A 48 120.830 0.309 -5.866 1.00 0.00 C ATOM 740 CD ARG A 48 122.246 0.472 -5.352 1.00 0.00 C ATOM 741 NE ARG A 48 123.185 -0.388 -6.070 1.00 0.00 N ATOM 742 CZ ARG A 48 124.479 -0.484 -5.785 1.00 0.00 C ATOM 743 NH1 ARG A 48 125.005 0.251 -4.812 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.243 -1.313 -6.481 1.00 0.00 N ATOM 0 H ARG A 48 118.154 2.558 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 48 118.151 -0.070 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.124 2.193 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 48 119.879 0.854 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.544 -0.742 -5.813 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.791 0.597 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.553 1.513 -5.456 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.276 0.236 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 48 122.823 -0.951 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.415 0.892 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.999 0.175 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.837 -1.873 -7.231 1.00 0.00 H new ATOM 0 HH22 ARG A 48 126.237 -1.391 -6.267 1.00 0.00 H new ATOM 758 N ALA A 49 116.979 0.870 -3.635 1.00 0.00 N ATOM 759 CA ALA A 49 115.994 1.332 -2.673 1.00 0.00 C ATOM 760 C ALA A 49 116.460 1.069 -1.244 1.00 0.00 C ATOM 761 O ALA A 49 117.332 0.228 -1.011 1.00 0.00 O ATOM 762 CB ALA A 49 114.660 0.645 -2.924 1.00 0.00 C ATOM 0 H ALA A 49 117.294 -0.088 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 49 115.872 2.408 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 49 113.927 0.997 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.314 0.878 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 49 114.781 -0.433 -2.823 1.00 0.00 H new ATOM 768 N PHE A 50 115.868 1.784 -0.298 1.00 0.00 N ATOM 769 CA PHE A 50 116.163 1.590 1.115 1.00 0.00 C ATOM 770 C PHE A 50 115.237 0.542 1.704 1.00 0.00 C ATOM 771 O PHE A 50 114.024 0.589 1.495 1.00 0.00 O ATOM 772 CB PHE A 50 115.991 2.895 1.899 1.00 0.00 C ATOM 773 CG PHE A 50 117.187 3.805 1.893 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.471 3.291 1.974 1.00 0.00 C ATOM 775 CD2 PHE A 50 117.023 5.180 1.838 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.569 4.131 1.998 1.00 0.00 C ATOM 777 CE2 PHE A 50 118.116 6.025 1.857 1.00 0.00 C ATOM 778 CZ PHE A 50 119.390 5.500 1.939 1.00 0.00 C ATOM 0 H PHE A 50 115.175 2.509 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 50 117.199 1.260 1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.139 3.437 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.745 2.650 2.932 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.616 2.222 2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 50 116.028 5.596 1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.565 3.718 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.974 7.094 1.808 1.00 0.00 H new ATOM 0 HZ PHE A 50 120.246 6.158 1.957 1.00 0.00 H new ATOM 788 N TYR A 51 115.809 -0.403 2.426 1.00 0.00 N ATOM 789 CA TYR A 51 115.029 -1.433 3.089 1.00 0.00 C ATOM 790 C TYR A 51 114.677 -0.975 4.502 1.00 0.00 C ATOM 791 O TYR A 51 115.507 -1.038 5.415 1.00 0.00 O ATOM 792 CB TYR A 51 115.819 -2.742 3.128 1.00 0.00 C ATOM 793 CG TYR A 51 114.979 -3.970 3.416 1.00 0.00 C ATOM 794 CD1 TYR A 51 114.630 -4.316 4.717 1.00 0.00 C ATOM 795 CD2 TYR A 51 114.538 -4.786 2.382 1.00 0.00 C ATOM 796 CE1 TYR A 51 113.871 -5.439 4.976 1.00 0.00 C ATOM 797 CE2 TYR A 51 113.777 -5.912 2.635 1.00 0.00 C ATOM 798 CZ TYR A 51 113.446 -6.231 3.933 1.00 0.00 C ATOM 799 OH TYR A 51 112.686 -7.348 4.189 1.00 0.00 O ATOM 0 H TYR A 51 116.816 -0.479 2.569 1.00 0.00 H new ATOM 0 HA TYR A 51 114.106 -1.605 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.323 -2.877 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 51 116.596 -2.661 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 51 114.958 -3.696 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 51 114.794 -4.536 1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 51 113.611 -5.696 5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 51 113.444 -6.537 1.820 1.00 0.00 H new ATOM 0 HH TYR A 51 112.740 -7.569 5.142 1.00 0.00 H new ATOM 809 N TYR A 52 113.455 -0.496 4.669 1.00 0.00 N ATOM 810 CA TYR A 52 113.011 0.068 5.934 1.00 0.00 C ATOM 811 C TYR A 52 112.099 -0.903 6.674 1.00 0.00 C ATOM 812 O TYR A 52 111.107 -1.383 6.124 1.00 0.00 O ATOM 813 CB TYR A 52 112.292 1.395 5.672 1.00 0.00 C ATOM 814 CG TYR A 52 111.675 2.041 6.896 1.00 0.00 C ATOM 815 CD1 TYR A 52 112.440 2.814 7.759 1.00 0.00 C ATOM 816 CD2 TYR A 52 110.323 1.884 7.179 1.00 0.00 C ATOM 817 CE1 TYR A 52 111.876 3.414 8.869 1.00 0.00 C ATOM 818 CE2 TYR A 52 109.752 2.482 8.285 1.00 0.00 C ATOM 819 CZ TYR A 52 110.533 3.243 9.128 1.00 0.00 C ATOM 820 OH TYR A 52 109.966 3.841 10.229 1.00 0.00 O ATOM 0 H TYR A 52 112.746 -0.487 3.936 1.00 0.00 H new ATOM 0 HA TYR A 52 113.880 0.249 6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 52 113.001 2.094 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.508 1.227 4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 52 113.493 2.949 7.560 1.00 0.00 H new ATOM 0 HD2 TYR A 52 109.709 1.284 6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 52 112.484 4.014 9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 52 108.699 2.354 8.488 1.00 0.00 H new ATOM 0 HH TYR A 52 109.012 3.621 10.265 1.00 0.00 H new ATOM 830 N HIS A 53 112.443 -1.193 7.920 1.00 0.00 N ATOM 831 CA HIS A 53 111.636 -2.073 8.754 1.00 0.00 C ATOM 832 C HIS A 53 110.478 -1.309 9.368 1.00 0.00 C ATOM 833 O HIS A 53 110.674 -0.290 10.023 1.00 0.00 O ATOM 834 CB HIS A 53 112.480 -2.718 9.861 1.00 0.00 C ATOM 835 CG HIS A 53 113.312 -3.866 9.381 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.494 -4.251 9.978 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.114 -4.729 8.356 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.988 -5.294 9.338 1.00 0.00 C ATOM 839 NE2 HIS A 53 114.170 -5.607 8.350 1.00 0.00 N ATOM 0 H HIS A 53 113.279 -0.830 8.378 1.00 0.00 H new ATOM 0 HA HIS A 53 111.243 -2.865 8.116 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.134 -1.962 10.296 1.00 0.00 H new ATOM 0 HB3 HIS A 53 111.820 -3.065 10.656 1.00 0.00 H new ATOM 0 HD1 HIS A 53 114.920 -3.800 10.788 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.280 -4.727 7.670 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.907 -5.806 9.582 1.00 0.00 H new ATOM 848 N SER A 54 109.274 -1.800 9.141 1.00 0.00 N ATOM 849 CA SER A 54 108.080 -1.179 9.686 1.00 0.00 C ATOM 850 C SER A 54 107.589 -1.950 10.908 1.00 0.00 C ATOM 851 O SER A 54 107.913 -3.131 11.068 1.00 0.00 O ATOM 852 CB SER A 54 106.996 -1.117 8.611 1.00 0.00 C ATOM 853 OG SER A 54 107.485 -0.470 7.448 1.00 0.00 O ATOM 0 H SER A 54 109.096 -2.633 8.579 1.00 0.00 H new ATOM 0 HA SER A 54 108.318 -0.163 10.003 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.665 -2.125 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 54 106.127 -0.582 8.993 1.00 0.00 H new ATOM 0 HG SER A 54 108.248 0.098 7.686 1.00 0.00 H new ATOM 859 N ASN A 55 106.817 -1.267 11.759 1.00 0.00 N ATOM 860 CA ASN A 55 106.306 -1.823 13.018 1.00 0.00 C ATOM 861 C ASN A 55 107.439 -2.058 14.013 1.00 0.00 C ATOM 862 O ASN A 55 107.556 -1.345 15.009 1.00 0.00 O ATOM 863 CB ASN A 55 105.528 -3.128 12.794 1.00 0.00 C ATOM 864 CG ASN A 55 104.966 -3.698 14.087 1.00 0.00 C ATOM 865 OD1 ASN A 55 104.626 -2.962 15.015 1.00 0.00 O ATOM 866 ND2 ASN A 55 104.865 -5.016 14.156 1.00 0.00 N ATOM 0 H ASN A 55 106.526 -0.304 11.593 1.00 0.00 H new ATOM 0 HA ASN A 55 105.618 -1.086 13.432 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.711 -2.945 12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.185 -3.864 12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.495 -5.456 14.999 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.157 -5.592 13.366 1.00 0.00 H new ATOM 873 N GLU A 56 108.273 -3.049 13.734 1.00 0.00 N ATOM 874 CA GLU A 56 109.383 -3.381 14.608 1.00 0.00 C ATOM 875 C GLU A 56 110.681 -2.787 14.077 1.00 0.00 C ATOM 876 O GLU A 56 111.033 -2.966 12.908 1.00 0.00 O ATOM 877 CB GLU A 56 109.520 -4.896 14.757 1.00 0.00 C ATOM 878 CG GLU A 56 110.694 -5.311 15.630 1.00 0.00 C ATOM 879 CD GLU A 56 110.747 -6.802 15.869 1.00 0.00 C ATOM 880 OE1 GLU A 56 109.970 -7.297 16.712 1.00 0.00 O ATOM 881 OE2 GLU A 56 111.569 -7.485 15.226 1.00 0.00 O ATOM 0 H GLU A 56 108.199 -3.638 12.905 1.00 0.00 H new ATOM 0 HA GLU A 56 109.179 -2.953 15.589 1.00 0.00 H new ATOM 0 HB2 GLU A 56 108.600 -5.297 15.183 1.00 0.00 H new ATOM 0 HB3 GLU A 56 109.635 -5.342 13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 56 111.623 -4.990 15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 56 110.628 -4.796 16.588 1.00 0.00 H new ATOM 888 N GLY A 57 111.377 -2.067 14.938 1.00 0.00 N ATOM 889 CA GLY A 57 112.645 -1.484 14.574 1.00 0.00 C ATOM 890 C GLY A 57 112.494 -0.077 14.052 1.00 0.00 C ATOM 891 O GLY A 57 113.095 0.855 14.588 1.00 0.00 O ATOM 0 H GLY A 57 111.081 -1.875 15.895 1.00 0.00 H new ATOM 0 HA2 GLY A 57 113.304 -1.479 15.442 1.00 0.00 H new ATOM 0 HA3 GLY A 57 113.123 -2.103 13.814 1.00 0.00 H new ATOM 895 N LYS A 58 111.665 0.071 13.018 1.00 0.00 N ATOM 896 CA LYS A 58 111.453 1.358 12.362 1.00 0.00 C ATOM 897 C LYS A 58 112.792 1.932 11.923 1.00 0.00 C ATOM 898 O LYS A 58 113.161 3.046 12.296 1.00 0.00 O ATOM 899 CB LYS A 58 110.723 2.333 13.295 1.00 0.00 C ATOM 900 CG LYS A 58 109.395 1.802 13.811 1.00 0.00 C ATOM 901 CD LYS A 58 108.657 2.851 14.624 1.00 0.00 C ATOM 902 CE LYS A 58 107.340 2.316 15.159 1.00 0.00 C ATOM 903 NZ LYS A 58 106.575 3.355 15.896 1.00 0.00 N ATOM 0 H LYS A 58 111.125 -0.695 12.615 1.00 0.00 H new ATOM 0 HA LYS A 58 110.825 1.208 11.484 1.00 0.00 H new ATOM 0 HB2 LYS A 58 111.368 2.562 14.144 1.00 0.00 H new ATOM 0 HB3 LYS A 58 110.549 3.269 12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.776 1.489 12.971 1.00 0.00 H new ATOM 0 HG3 LYS A 58 109.569 0.919 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 58 109.283 3.176 15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.470 3.728 14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 58 106.738 1.941 14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.534 1.471 15.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.683 2.948 16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 107.138 3.695 16.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.367 4.150 15.259 1.00 0.00 H new ATOM 917 N GLU A 59 113.513 1.157 11.127 1.00 0.00 N ATOM 918 CA GLU A 59 114.887 1.482 10.786 1.00 0.00 C ATOM 919 C GLU A 59 115.216 1.074 9.352 1.00 0.00 C ATOM 920 O GLU A 59 114.675 0.095 8.830 1.00 0.00 O ATOM 921 CB GLU A 59 115.828 0.761 11.755 1.00 0.00 C ATOM 922 CG GLU A 59 115.722 -0.754 11.668 1.00 0.00 C ATOM 923 CD GLU A 59 116.375 -1.468 12.831 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.617 -1.519 12.883 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.642 -2.015 13.680 1.00 0.00 O ATOM 0 H GLU A 59 113.167 0.296 10.704 1.00 0.00 H new ATOM 0 HA GLU A 59 115.017 2.561 10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.855 1.061 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.604 1.078 12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.670 -1.036 11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.183 -1.091 10.739 1.00 0.00 H new ATOM 932 N ILE A 60 116.089 1.842 8.721 1.00 0.00 N ATOM 933 CA ILE A 60 116.630 1.487 7.421 1.00 0.00 C ATOM 934 C ILE A 60 117.902 0.679 7.629 1.00 0.00 C ATOM 935 O ILE A 60 118.870 1.172 8.208 1.00 0.00 O ATOM 936 CB ILE A 60 116.947 2.737 6.574 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.699 3.609 6.420 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.482 2.323 5.212 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.950 4.909 5.687 1.00 0.00 C ATOM 0 H ILE A 60 116.441 2.724 9.094 1.00 0.00 H new ATOM 0 HA ILE A 60 115.884 0.903 6.882 1.00 0.00 H new ATOM 0 HB ILE A 60 117.711 3.322 7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.935 3.043 5.886 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.298 3.832 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.703 3.213 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.393 1.738 5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.735 1.721 4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 60 115.020 5.473 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.690 5.496 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.321 4.696 4.685 1.00 0.00 H new ATOM 951 N VAL A 61 117.896 -0.562 7.172 1.00 0.00 N ATOM 952 CA VAL A 61 118.990 -1.478 7.476 1.00 0.00 C ATOM 953 C VAL A 61 119.966 -1.659 6.315 1.00 0.00 C ATOM 954 O VAL A 61 121.156 -1.890 6.535 1.00 0.00 O ATOM 955 CB VAL A 61 118.461 -2.858 7.915 1.00 0.00 C ATOM 956 CG1 VAL A 61 117.799 -2.762 9.278 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.487 -3.421 6.889 1.00 0.00 C ATOM 0 H VAL A 61 117.155 -0.959 6.594 1.00 0.00 H new ATOM 0 HA VAL A 61 119.536 -1.014 8.298 1.00 0.00 H new ATOM 0 HB VAL A 61 119.309 -3.539 7.985 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.431 -3.744 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.525 -2.411 10.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 116.965 -2.062 9.229 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.129 -4.395 7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.642 -2.742 6.779 1.00 0.00 H new ATOM 0 HG23 VAL A 61 117.992 -3.530 5.929 1.00 0.00 H new ATOM 967 N GLY A 62 119.484 -1.557 5.087 1.00 0.00 N ATOM 968 CA GLY A 62 120.354 -1.805 3.957 1.00 0.00 C ATOM 969 C GLY A 62 119.794 -1.314 2.644 1.00 0.00 C ATOM 970 O GLY A 62 118.691 -0.763 2.593 1.00 0.00 O ATOM 0 H GLY A 62 118.522 -1.311 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.315 -1.322 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.544 -2.876 3.884 1.00 0.00 H new ATOM 974 N ILE A 63 120.561 -1.533 1.584 1.00 0.00 N ATOM 975 CA ILE A 63 120.204 -1.075 0.254 1.00 0.00 C ATOM 976 C ILE A 63 119.895 -2.259 -0.660 1.00 0.00 C ATOM 977 O ILE A 63 120.714 -3.170 -0.814 1.00 0.00 O ATOM 978 CB ILE A 63 121.356 -0.251 -0.360 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.700 0.937 0.543 1.00 0.00 C ATOM 980 CG2 ILE A 63 120.989 0.224 -1.758 1.00 0.00 C ATOM 981 CD1 ILE A 63 122.932 1.700 0.104 1.00 0.00 C ATOM 0 H ILE A 63 121.448 -2.034 1.626 1.00 0.00 H new ATOM 0 HA ILE A 63 119.316 -0.449 0.344 1.00 0.00 H new ATOM 0 HB ILE A 63 122.236 -0.890 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.851 1.620 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.850 0.577 1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 63 121.814 0.803 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 63 120.793 -0.638 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.097 0.848 -1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.112 2.526 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.793 1.032 0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 63 122.778 2.092 -0.902 1.00 0.00 H new ATOM 993 N ALA A 64 118.714 -2.244 -1.259 1.00 0.00 N ATOM 994 CA ALA A 64 118.324 -3.279 -2.203 1.00 0.00 C ATOM 995 C ALA A 64 118.460 -2.760 -3.628 1.00 0.00 C ATOM 996 O ALA A 64 118.122 -1.614 -3.906 1.00 0.00 O ATOM 997 CB ALA A 64 116.897 -3.731 -1.936 1.00 0.00 C ATOM 0 H ALA A 64 118.008 -1.524 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 64 118.984 -4.137 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.621 -4.506 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 64 116.825 -4.129 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.221 -2.883 -2.041 1.00 0.00 H new ATOM 1003 N GLU A 65 118.961 -3.593 -4.521 1.00 0.00 N ATOM 1004 CA GLU A 65 119.151 -3.191 -5.907 1.00 0.00 C ATOM 1005 C GLU A 65 118.177 -3.928 -6.815 1.00 0.00 C ATOM 1006 O GLU A 65 117.887 -5.106 -6.598 1.00 0.00 O ATOM 1007 CB GLU A 65 120.586 -3.470 -6.356 1.00 0.00 C ATOM 1008 CG GLU A 65 120.913 -2.943 -7.745 1.00 0.00 C ATOM 1009 CD GLU A 65 122.342 -3.228 -8.143 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.657 -4.396 -8.444 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.166 -2.291 -8.135 1.00 0.00 O ATOM 0 H GLU A 65 119.244 -4.551 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 65 118.960 -2.120 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.274 -3.023 -5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.759 -4.546 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.238 -3.396 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.737 -1.868 -7.774 1.00 0.00 H new ATOM 1018 N ILE A 66 117.674 -3.223 -7.817 1.00 0.00 N ATOM 1019 CA ILE A 66 116.776 -3.810 -8.801 1.00 0.00 C ATOM 1020 C ILE A 66 117.584 -4.553 -9.862 1.00 0.00 C ATOM 1021 O ILE A 66 118.499 -3.978 -10.457 1.00 0.00 O ATOM 1022 CB ILE A 66 115.923 -2.727 -9.504 1.00 0.00 C ATOM 1023 CG1 ILE A 66 115.319 -1.747 -8.490 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.824 -3.373 -10.332 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.415 -2.396 -7.467 1.00 0.00 C ATOM 0 H ILE A 66 117.875 -2.235 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 66 116.113 -4.496 -8.274 1.00 0.00 H new ATOM 0 HB ILE A 66 116.579 -2.163 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 66 116.128 -1.234 -7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.753 -0.987 -9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.233 -2.598 -10.820 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.270 -4.019 -11.088 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.180 -3.966 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 66 114.029 -1.636 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.583 -2.885 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.980 -3.136 -6.900 1.00 0.00 H new ATOM 1037 N ILE A 67 117.270 -5.825 -10.088 1.00 0.00 N ATOM 1038 CA ILE A 67 117.951 -6.593 -11.129 1.00 0.00 C ATOM 1039 C ILE A 67 117.003 -6.985 -12.262 1.00 0.00 C ATOM 1040 O ILE A 67 117.448 -7.353 -13.347 1.00 0.00 O ATOM 1041 CB ILE A 67 118.661 -7.851 -10.576 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.783 -8.585 -9.562 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.995 -7.465 -9.954 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.343 -9.924 -9.126 1.00 0.00 C ATOM 0 H ILE A 67 116.558 -6.342 -9.572 1.00 0.00 H new ATOM 0 HA ILE A 67 118.716 -5.928 -11.530 1.00 0.00 H new ATOM 0 HB ILE A 67 118.843 -8.533 -11.406 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.652 -7.953 -8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.794 -8.738 -9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.488 -8.357 -9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.628 -7.000 -10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.826 -6.761 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.666 -10.385 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.448 -10.575 -9.994 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.319 -9.777 -8.663 1.00 0.00 H new ATOM 1056 N ARG A 68 115.701 -6.893 -12.026 1.00 0.00 N ATOM 1057 CA ARG A 68 114.727 -7.150 -13.083 1.00 0.00 C ATOM 1058 C ARG A 68 113.933 -5.893 -13.396 1.00 0.00 C ATOM 1059 O ARG A 68 113.408 -5.242 -12.498 1.00 0.00 O ATOM 1060 CB ARG A 68 113.766 -8.276 -12.701 1.00 0.00 C ATOM 1061 CG ARG A 68 112.637 -8.476 -13.708 1.00 0.00 C ATOM 1062 CD ARG A 68 113.147 -9.008 -15.041 1.00 0.00 C ATOM 1063 NE ARG A 68 112.145 -8.901 -16.108 1.00 0.00 N ATOM 1064 CZ ARG A 68 112.048 -9.765 -17.123 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.836 -10.833 -17.164 1.00 0.00 N ATOM 1066 NH2 ARG A 68 111.160 -9.569 -18.091 1.00 0.00 N ATOM 0 H ARG A 68 115.296 -6.645 -11.123 1.00 0.00 H new ATOM 0 HA ARG A 68 115.285 -7.457 -13.968 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.327 -9.206 -12.606 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.336 -8.061 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 68 111.904 -9.170 -13.297 1.00 0.00 H new ATOM 0 HG3 ARG A 68 112.123 -7.528 -13.869 1.00 0.00 H new ATOM 0 HD2 ARG A 68 114.042 -8.457 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 68 113.439 -10.052 -14.924 1.00 0.00 H new ATOM 0 HE ARG A 68 111.486 -8.124 -16.073 1.00 0.00 H new ATOM 0 HH11 ARG A 68 113.516 -10.994 -16.421 1.00 0.00 H new ATOM 0 HH12 ARG A 68 112.762 -11.492 -17.939 1.00 0.00 H new ATOM 0 HH21 ARG A 68 110.546 -8.755 -18.063 1.00 0.00 H new ATOM 0 HH22 ARG A 68 111.092 -10.233 -18.863 1.00 0.00 H new ATOM 1080 N GLU A 69 113.846 -5.570 -14.673 1.00 0.00 N ATOM 1081 CA GLU A 69 113.102 -4.405 -15.120 1.00 0.00 C ATOM 1082 C GLU A 69 111.648 -4.776 -15.407 1.00 0.00 C ATOM 1083 O GLU A 69 111.332 -5.283 -16.481 1.00 0.00 O ATOM 1084 CB GLU A 69 113.789 -3.812 -16.353 1.00 0.00 C ATOM 1085 CG GLU A 69 115.168 -3.265 -16.029 1.00 0.00 C ATOM 1086 CD GLU A 69 116.084 -3.156 -17.229 1.00 0.00 C ATOM 1087 OE1 GLU A 69 116.607 -4.197 -17.682 1.00 0.00 O ATOM 1088 OE2 GLU A 69 116.324 -2.027 -17.696 1.00 0.00 O ATOM 0 H GLU A 69 114.285 -6.102 -15.425 1.00 0.00 H new ATOM 0 HA GLU A 69 113.092 -3.651 -14.333 1.00 0.00 H new ATOM 0 HB2 GLU A 69 113.875 -4.578 -17.124 1.00 0.00 H new ATOM 0 HB3 GLU A 69 113.170 -3.014 -16.764 1.00 0.00 H new ATOM 0 HG2 GLU A 69 115.060 -2.279 -15.577 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.637 -3.908 -15.284 1.00 0.00 H new ATOM 1095 N ALA A 70 110.795 -4.548 -14.402 1.00 0.00 N ATOM 1096 CA ALA A 70 109.355 -4.833 -14.464 1.00 0.00 C ATOM 1097 C ALA A 70 109.054 -6.250 -14.954 1.00 0.00 C ATOM 1098 O ALA A 70 108.993 -6.521 -16.151 1.00 0.00 O ATOM 1099 CB ALA A 70 108.634 -3.793 -15.312 1.00 0.00 C ATOM 0 H ALA A 70 111.089 -4.154 -13.508 1.00 0.00 H new ATOM 0 HA ALA A 70 108.976 -4.772 -13.444 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.569 -4.024 -15.344 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.778 -2.805 -14.876 1.00 0.00 H new ATOM 0 HB3 ALA A 70 109.038 -3.805 -16.324 1.00 0.00 H new ATOM 1105 N TYR A 71 108.856 -7.149 -14.009 1.00 0.00 N ATOM 1106 CA TYR A 71 108.579 -8.544 -14.309 1.00 0.00 C ATOM 1107 C TYR A 71 107.092 -8.839 -14.109 1.00 0.00 C ATOM 1108 O TYR A 71 106.510 -8.430 -13.105 1.00 0.00 O ATOM 1109 CB TYR A 71 109.448 -9.427 -13.401 1.00 0.00 C ATOM 1110 CG TYR A 71 109.174 -10.909 -13.478 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.468 -11.636 -14.622 1.00 0.00 C ATOM 1112 CD2 TYR A 71 108.634 -11.580 -12.393 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.224 -12.994 -14.686 1.00 0.00 C ATOM 1114 CE2 TYR A 71 108.386 -12.939 -12.447 1.00 0.00 C ATOM 1115 CZ TYR A 71 108.682 -13.642 -13.596 1.00 0.00 C ATOM 1116 OH TYR A 71 108.437 -15.000 -13.654 1.00 0.00 O ATOM 0 H TYR A 71 108.882 -6.935 -13.012 1.00 0.00 H new ATOM 0 HA TYR A 71 108.821 -8.759 -15.350 1.00 0.00 H new ATOM 0 HB2 TYR A 71 110.495 -9.256 -13.652 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.310 -9.103 -12.369 1.00 0.00 H new ATOM 0 HD1 TYR A 71 109.895 -11.132 -15.477 1.00 0.00 H new ATOM 0 HD2 TYR A 71 108.403 -11.033 -11.491 1.00 0.00 H new ATOM 0 HE1 TYR A 71 109.456 -13.545 -15.585 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.963 -13.448 -11.594 1.00 0.00 H new ATOM 0 HH TYR A 71 108.055 -15.300 -12.803 1.00 0.00 H new ATOM 1126 N PRO A 72 106.448 -9.516 -15.081 1.00 0.00 N ATOM 1127 CA PRO A 72 105.041 -9.926 -14.962 1.00 0.00 C ATOM 1128 C PRO A 72 104.796 -10.722 -13.683 1.00 0.00 C ATOM 1129 O PRO A 72 105.568 -11.624 -13.352 1.00 0.00 O ATOM 1130 CB PRO A 72 104.820 -10.808 -16.194 1.00 0.00 C ATOM 1131 CG PRO A 72 105.835 -10.342 -17.179 1.00 0.00 C ATOM 1132 CD PRO A 72 107.034 -9.930 -16.369 1.00 0.00 C ATOM 0 HA PRO A 72 104.363 -9.074 -14.913 1.00 0.00 H new ATOM 0 HB2 PRO A 72 104.955 -11.863 -15.955 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.809 -10.696 -16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 106.091 -11.135 -17.881 1.00 0.00 H new ATOM 0 HG3 PRO A 72 105.455 -9.507 -17.767 1.00 0.00 H new ATOM 0 HD2 PRO A 72 107.737 -10.753 -16.245 1.00 0.00 H new ATOM 0 HD3 PRO A 72 107.579 -9.114 -16.844 1.00 0.00 H new ATOM 1140 N ASP A 73 103.731 -10.388 -12.969 1.00 0.00 N ATOM 1141 CA ASP A 73 103.483 -10.986 -11.666 1.00 0.00 C ATOM 1142 C ASP A 73 102.849 -12.369 -11.810 1.00 0.00 C ATOM 1143 O ASP A 73 102.075 -12.617 -12.738 1.00 0.00 O ATOM 1144 CB ASP A 73 102.593 -10.073 -10.814 1.00 0.00 C ATOM 1145 CG ASP A 73 101.113 -10.295 -11.044 1.00 0.00 C ATOM 1146 OD1 ASP A 73 100.543 -11.164 -10.358 1.00 0.00 O ATOM 1147 OD2 ASP A 73 100.517 -9.598 -11.888 1.00 0.00 O ATOM 0 H ASP A 73 103.029 -9.711 -13.267 1.00 0.00 H new ATOM 0 HA ASP A 73 104.442 -11.104 -11.161 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.819 -10.238 -9.760 1.00 0.00 H new ATOM 0 HB3 ASP A 73 102.836 -9.033 -11.033 1.00 0.00 H new ATOM 1152 N PRO A 74 103.200 -13.297 -10.907 1.00 0.00 N ATOM 1153 CA PRO A 74 102.661 -14.648 -10.898 1.00 0.00 C ATOM 1154 C PRO A 74 101.498 -14.824 -9.917 1.00 0.00 C ATOM 1155 O PRO A 74 101.179 -15.942 -9.512 1.00 0.00 O ATOM 1156 CB PRO A 74 103.869 -15.459 -10.436 1.00 0.00 C ATOM 1157 CG PRO A 74 104.622 -14.543 -9.516 1.00 0.00 C ATOM 1158 CD PRO A 74 104.196 -13.125 -9.840 1.00 0.00 C ATOM 0 HA PRO A 74 102.246 -14.939 -11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.560 -16.369 -9.921 1.00 0.00 H new ATOM 0 HB3 PRO A 74 104.486 -15.764 -11.281 1.00 0.00 H new ATOM 0 HG2 PRO A 74 104.404 -14.781 -8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.697 -14.661 -9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 74 103.769 -12.626 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.039 -12.519 -10.173 1.00 0.00 H new ATOM 1166 N THR A 75 100.863 -13.723 -9.537 1.00 0.00 N ATOM 1167 CA THR A 75 99.769 -13.775 -8.577 1.00 0.00 C ATOM 1168 C THR A 75 98.428 -13.439 -9.232 1.00 0.00 C ATOM 1169 O THR A 75 97.369 -13.847 -8.750 1.00 0.00 O ATOM 1170 CB THR A 75 100.030 -12.835 -7.378 1.00 0.00 C ATOM 1171 OG1 THR A 75 100.581 -11.585 -7.821 1.00 0.00 O ATOM 1172 CG2 THR A 75 100.982 -13.483 -6.384 1.00 0.00 C ATOM 0 H THR A 75 101.085 -12.787 -9.877 1.00 0.00 H new ATOM 0 HA THR A 75 99.718 -14.799 -8.207 1.00 0.00 H new ATOM 0 HB THR A 75 99.074 -12.649 -6.888 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.220 -11.364 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 75 101.152 -12.805 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.546 -14.411 -6.015 1.00 0.00 H new ATOM 0 HG23 THR A 75 101.931 -13.698 -6.876 1.00 0.00 H new ATOM 1180 N ASP A 76 98.481 -12.697 -10.328 1.00 0.00 N ATOM 1181 CA ASP A 76 97.287 -12.344 -11.079 1.00 0.00 C ATOM 1182 C ASP A 76 97.212 -13.164 -12.361 1.00 0.00 C ATOM 1183 O ASP A 76 98.230 -13.648 -12.858 1.00 0.00 O ATOM 1184 CB ASP A 76 97.288 -10.849 -11.413 1.00 0.00 C ATOM 1185 CG ASP A 76 95.945 -10.376 -11.925 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.035 -10.176 -11.100 1.00 0.00 O ATOM 1187 OD2 ASP A 76 95.783 -10.222 -13.152 1.00 0.00 O ATOM 0 H ASP A 76 99.347 -12.325 -10.719 1.00 0.00 H new ATOM 0 HA ASP A 76 96.414 -12.564 -10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 97.556 -10.280 -10.523 1.00 0.00 H new ATOM 0 HB3 ASP A 76 98.053 -10.647 -12.163 1.00 0.00 H new ATOM 1192 N ALA A 77 96.007 -13.325 -12.890 1.00 0.00 N ATOM 1193 CA ALA A 77 95.802 -14.104 -14.102 1.00 0.00 C ATOM 1194 C ALA A 77 96.111 -13.284 -15.351 1.00 0.00 C ATOM 1195 O ALA A 77 96.488 -13.834 -16.388 1.00 0.00 O ATOM 1196 CB ALA A 77 94.375 -14.629 -14.153 1.00 0.00 C ATOM 0 H ALA A 77 95.155 -12.925 -12.497 1.00 0.00 H new ATOM 0 HA ALA A 77 96.492 -14.948 -14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 77 94.234 -15.210 -15.064 1.00 0.00 H new ATOM 0 HB2 ALA A 77 94.189 -15.263 -13.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 93.678 -13.791 -14.146 1.00 0.00 H new ATOM 1202 N SER A 78 95.967 -11.972 -15.247 1.00 0.00 N ATOM 1203 CA SER A 78 96.160 -11.096 -16.392 1.00 0.00 C ATOM 1204 C SER A 78 97.406 -10.233 -16.219 1.00 0.00 C ATOM 1205 O SER A 78 97.736 -9.423 -17.086 1.00 0.00 O ATOM 1206 CB SER A 78 94.927 -10.211 -16.578 1.00 0.00 C ATOM 1207 OG SER A 78 93.756 -10.999 -16.747 1.00 0.00 O ATOM 0 H SER A 78 95.718 -11.491 -14.383 1.00 0.00 H new ATOM 0 HA SER A 78 96.299 -11.714 -17.279 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.809 -9.559 -15.713 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.065 -9.567 -17.446 1.00 0.00 H new ATOM 0 HG SER A 78 92.980 -10.411 -16.862 1.00 0.00 H new ATOM 1213 N GLY A 79 98.092 -10.416 -15.099 1.00 0.00 N ATOM 1214 CA GLY A 79 99.286 -9.641 -14.822 1.00 0.00 C ATOM 1215 C GLY A 79 98.968 -8.186 -14.542 1.00 0.00 C ATOM 1216 O GLY A 79 99.555 -7.284 -15.141 1.00 0.00 O ATOM 0 H GLY A 79 97.842 -11.090 -14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 79 99.805 -10.070 -13.965 1.00 0.00 H new ATOM 0 HA3 GLY A 79 99.965 -9.706 -15.672 1.00 0.00 H new ATOM 1220 N LYS A 80 98.018 -7.955 -13.643 1.00 0.00 N ATOM 1221 CA LYS A 80 97.622 -6.599 -13.286 1.00 0.00 C ATOM 1222 C LYS A 80 98.569 -6.027 -12.232 1.00 0.00 C ATOM 1223 O LYS A 80 98.493 -4.850 -11.877 1.00 0.00 O ATOM 1224 CB LYS A 80 96.172 -6.573 -12.784 1.00 0.00 C ATOM 1225 CG LYS A 80 95.619 -5.167 -12.592 1.00 0.00 C ATOM 1226 CD LYS A 80 94.137 -5.176 -12.248 1.00 0.00 C ATOM 1227 CE LYS A 80 93.304 -5.771 -13.374 1.00 0.00 C ATOM 1228 NZ LYS A 80 91.845 -5.627 -13.125 1.00 0.00 N ATOM 0 H LYS A 80 97.509 -8.688 -13.149 1.00 0.00 H new ATOM 0 HA LYS A 80 97.684 -5.976 -14.178 1.00 0.00 H new ATOM 0 HB2 LYS A 80 95.541 -7.109 -13.493 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.114 -7.110 -11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 80 96.172 -4.666 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 80 95.776 -4.589 -13.503 1.00 0.00 H new ATOM 0 HD2 LYS A 80 93.978 -5.750 -11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 93.803 -4.158 -12.047 1.00 0.00 H new ATOM 0 HE2 LYS A 80 93.561 -5.281 -14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.550 -6.827 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 91.315 -6.045 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 91.594 -6.116 -12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 91.605 -4.619 -13.042 1.00 0.00 H new ATOM 1242 N PHE A 81 99.464 -6.862 -11.735 1.00 0.00 N ATOM 1243 CA PHE A 81 100.466 -6.423 -10.785 1.00 0.00 C ATOM 1244 C PHE A 81 101.833 -6.438 -11.451 1.00 0.00 C ATOM 1245 O PHE A 81 102.003 -7.006 -12.529 1.00 0.00 O ATOM 1246 CB PHE A 81 100.483 -7.318 -9.540 1.00 0.00 C ATOM 1247 CG PHE A 81 99.179 -7.362 -8.795 1.00 0.00 C ATOM 1248 CD1 PHE A 81 98.909 -6.449 -7.790 1.00 0.00 C ATOM 1249 CD2 PHE A 81 98.228 -8.321 -9.096 1.00 0.00 C ATOM 1250 CE1 PHE A 81 97.712 -6.489 -7.101 1.00 0.00 C ATOM 1251 CE2 PHE A 81 97.029 -8.368 -8.412 1.00 0.00 C ATOM 1252 CZ PHE A 81 96.771 -7.450 -7.413 1.00 0.00 C ATOM 0 H PHE A 81 99.516 -7.852 -11.976 1.00 0.00 H new ATOM 0 HA PHE A 81 100.219 -5.410 -10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 81 100.752 -8.331 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 81 101.263 -6.967 -8.864 1.00 0.00 H new ATOM 0 HD1 PHE A 81 99.643 -5.696 -7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 81 98.426 -9.042 -9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 81 97.513 -5.770 -6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 81 96.295 -9.121 -8.658 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.834 -7.484 -6.876 1.00 0.00 H new ATOM 1262 N VAL A 82 102.803 -5.801 -10.824 1.00 0.00 N ATOM 1263 CA VAL A 82 104.162 -5.844 -11.318 1.00 0.00 C ATOM 1264 C VAL A 82 105.073 -6.426 -10.256 1.00 0.00 C ATOM 1265 O VAL A 82 104.976 -6.082 -9.077 1.00 0.00 O ATOM 1266 CB VAL A 82 104.682 -4.454 -11.758 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.857 -3.916 -12.917 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.684 -3.465 -10.600 1.00 0.00 C ATOM 0 H VAL A 82 102.674 -5.250 -9.975 1.00 0.00 H new ATOM 0 HA VAL A 82 104.165 -6.479 -12.204 1.00 0.00 H new ATOM 0 HB VAL A 82 105.713 -4.578 -12.090 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.238 -2.938 -13.212 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.925 -4.602 -13.761 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.816 -3.822 -12.609 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.055 -2.500 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.669 -3.348 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 82 105.329 -3.838 -9.804 1.00 0.00 H new ATOM 1278 N CYS A 83 105.921 -7.340 -10.668 1.00 0.00 N ATOM 1279 CA CYS A 83 106.868 -7.954 -9.771 1.00 0.00 C ATOM 1280 C CYS A 83 108.265 -7.474 -10.106 1.00 0.00 C ATOM 1281 O CYS A 83 108.653 -7.435 -11.271 1.00 0.00 O ATOM 1282 CB CYS A 83 106.790 -9.477 -9.882 1.00 0.00 C ATOM 1283 SG CYS A 83 107.959 -10.359 -8.822 1.00 0.00 S ATOM 0 H CYS A 83 105.973 -7.676 -11.630 1.00 0.00 H new ATOM 0 HA CYS A 83 106.628 -7.671 -8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.778 -9.797 -9.633 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.969 -9.764 -10.918 1.00 0.00 H new ATOM 0 HG CYS A 83 108.123 -11.568 -9.269 1.00 0.00 H new ATOM 1289 N VAL A 84 109.008 -7.073 -9.102 1.00 0.00 N ATOM 1290 CA VAL A 84 110.381 -6.678 -9.314 1.00 0.00 C ATOM 1291 C VAL A 84 111.319 -7.615 -8.564 1.00 0.00 C ATOM 1292 O VAL A 84 111.101 -7.928 -7.393 1.00 0.00 O ATOM 1293 CB VAL A 84 110.641 -5.211 -8.888 1.00 0.00 C ATOM 1294 CG1 VAL A 84 109.874 -4.252 -9.786 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.266 -4.982 -7.432 1.00 0.00 C ATOM 0 H VAL A 84 108.688 -7.012 -8.135 1.00 0.00 H new ATOM 0 HA VAL A 84 110.577 -6.746 -10.384 1.00 0.00 H new ATOM 0 HB VAL A 84 111.708 -5.018 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.068 -3.226 -9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.197 -4.383 -10.819 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.806 -4.458 -9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.461 -3.943 -7.165 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.208 -5.201 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.861 -5.637 -6.796 1.00 0.00 H new ATOM 1305 N ASP A 85 112.336 -8.103 -9.251 1.00 0.00 N ATOM 1306 CA ASP A 85 113.361 -8.900 -8.595 1.00 0.00 C ATOM 1307 C ASP A 85 114.348 -7.978 -7.905 1.00 0.00 C ATOM 1308 O ASP A 85 115.155 -7.309 -8.559 1.00 0.00 O ATOM 1309 CB ASP A 85 114.107 -9.806 -9.579 1.00 0.00 C ATOM 1310 CG ASP A 85 113.284 -10.982 -10.070 1.00 0.00 C ATOM 1311 OD1 ASP A 85 113.191 -11.995 -9.346 1.00 0.00 O ATOM 1312 OD2 ASP A 85 112.760 -10.914 -11.202 1.00 0.00 O ATOM 0 H ASP A 85 112.475 -7.965 -10.252 1.00 0.00 H new ATOM 0 HA ASP A 85 112.867 -9.543 -7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.424 -9.213 -10.437 1.00 0.00 H new ATOM 0 HB3 ASP A 85 115.011 -10.182 -9.100 1.00 0.00 H new ATOM 1317 N ILE A 86 114.246 -7.914 -6.590 1.00 0.00 N ATOM 1318 CA ILE A 86 115.130 -7.085 -5.789 1.00 0.00 C ATOM 1319 C ILE A 86 116.158 -7.958 -5.089 1.00 0.00 C ATOM 1320 O ILE A 86 115.922 -9.146 -4.877 1.00 0.00 O ATOM 1321 CB ILE A 86 114.339 -6.240 -4.754 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.458 -7.118 -3.853 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.483 -5.206 -5.465 1.00 0.00 C ATOM 1324 CD1 ILE A 86 114.145 -7.598 -2.593 1.00 0.00 C ATOM 0 H ILE A 86 113.553 -8.431 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 86 115.641 -6.390 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 86 115.067 -5.735 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.567 -6.555 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 86 113.123 -7.984 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.933 -4.620 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 86 114.122 -4.545 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.778 -5.710 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 86 113.455 -8.211 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 86 115.021 -8.190 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 86 114.455 -6.739 -1.998 1.00 0.00 H new ATOM 1336 N LYS A 87 117.300 -7.388 -4.755 1.00 0.00 N ATOM 1337 CA LYS A 87 118.330 -8.143 -4.063 1.00 0.00 C ATOM 1338 C LYS A 87 119.063 -7.262 -3.061 1.00 0.00 C ATOM 1339 O LYS A 87 119.318 -6.081 -3.324 1.00 0.00 O ATOM 1340 CB LYS A 87 119.323 -8.739 -5.070 1.00 0.00 C ATOM 1341 CG LYS A 87 120.340 -7.740 -5.601 1.00 0.00 C ATOM 1342 CD LYS A 87 121.224 -8.354 -6.673 1.00 0.00 C ATOM 1343 CE LYS A 87 122.639 -7.801 -6.612 1.00 0.00 C ATOM 1344 NZ LYS A 87 122.667 -6.314 -6.596 1.00 0.00 N ATOM 0 H LYS A 87 117.538 -6.415 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 87 117.850 -8.957 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 119.853 -9.565 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 87 118.767 -9.157 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.820 -6.874 -6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.960 -7.381 -4.780 1.00 0.00 H new ATOM 0 HD2 LYS A 87 121.250 -9.437 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 87 120.797 -8.156 -7.656 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.136 -8.181 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 87 123.205 -8.163 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.624 -5.987 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.407 -5.952 -7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 121.990 -5.962 -5.890 1.00 0.00 H new ATOM 1358 N ALA A 88 119.368 -7.832 -1.906 1.00 0.00 N ATOM 1359 CA ALA A 88 120.191 -7.165 -0.914 1.00 0.00 C ATOM 1360 C ALA A 88 121.615 -7.033 -1.434 1.00 0.00 C ATOM 1361 O ALA A 88 122.348 -8.017 -1.515 1.00 0.00 O ATOM 1362 CB ALA A 88 120.170 -7.940 0.397 1.00 0.00 C ATOM 0 H ALA A 88 119.054 -8.763 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 88 119.790 -6.169 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 120.791 -7.428 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.147 -8.002 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 88 120.557 -8.945 0.232 1.00 0.00 H new ATOM 1368 N ASP A 89 121.995 -5.820 -1.810 1.00 0.00 N ATOM 1369 CA ASP A 89 123.314 -5.591 -2.385 1.00 0.00 C ATOM 1370 C ASP A 89 124.331 -5.367 -1.276 1.00 0.00 C ATOM 1371 O ASP A 89 125.294 -6.120 -1.142 1.00 0.00 O ATOM 1372 CB ASP A 89 123.292 -4.392 -3.339 1.00 0.00 C ATOM 1373 CG ASP A 89 124.547 -4.308 -4.189 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.601 -4.983 -5.242 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.478 -3.567 -3.815 1.00 0.00 O ATOM 0 H ASP A 89 121.415 -4.985 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 89 123.601 -6.473 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.420 -4.464 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 89 123.185 -3.474 -2.762 1.00 0.00 H new ATOM 1380 N LYS A 90 124.109 -4.327 -0.484 1.00 0.00 N ATOM 1381 CA LYS A 90 124.956 -4.041 0.664 1.00 0.00 C ATOM 1382 C LYS A 90 124.168 -3.287 1.735 1.00 0.00 C ATOM 1383 O LYS A 90 123.340 -2.431 1.420 1.00 0.00 O ATOM 1384 CB LYS A 90 126.208 -3.263 0.236 1.00 0.00 C ATOM 1385 CG LYS A 90 125.927 -1.981 -0.539 1.00 0.00 C ATOM 1386 CD LYS A 90 127.201 -1.433 -1.171 1.00 0.00 C ATOM 1387 CE LYS A 90 128.243 -1.076 -0.124 1.00 0.00 C ATOM 1388 NZ LYS A 90 129.587 -0.867 -0.725 1.00 0.00 N ATOM 0 H LYS A 90 123.345 -3.665 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 90 125.287 -4.985 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.786 -3.014 1.126 1.00 0.00 H new ATOM 0 HB3 LYS A 90 126.831 -3.913 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 90 125.187 -2.176 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 125.499 -1.234 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 90 127.614 -2.173 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 90 126.962 -0.549 -1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 90 127.935 -0.171 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 90 128.298 -1.872 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 130.272 -0.642 0.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 129.885 -1.733 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 129.545 -0.080 -1.403 1.00 0.00 H new ATOM 1402 N PRO A 91 124.387 -3.624 3.011 1.00 0.00 N ATOM 1403 CA PRO A 91 123.674 -3.011 4.124 1.00 0.00 C ATOM 1404 C PRO A 91 124.333 -1.725 4.620 1.00 0.00 C ATOM 1405 O PRO A 91 125.390 -1.321 4.132 1.00 0.00 O ATOM 1406 CB PRO A 91 123.741 -4.096 5.194 1.00 0.00 C ATOM 1407 CG PRO A 91 125.041 -4.791 4.947 1.00 0.00 C ATOM 1408 CD PRO A 91 125.347 -4.642 3.474 1.00 0.00 C ATOM 0 HA PRO A 91 122.664 -2.707 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 91 123.705 -3.667 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 91 122.901 -4.786 5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.834 -4.352 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 91 124.975 -5.843 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.376 -4.323 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.217 -5.584 2.942 1.00 0.00 H new ATOM 1416 N LEU A 92 123.689 -1.087 5.588 1.00 0.00 N ATOM 1417 CA LEU A 92 124.222 0.119 6.201 1.00 0.00 C ATOM 1418 C LEU A 92 125.127 -0.238 7.373 1.00 0.00 C ATOM 1419 O LEU A 92 124.884 -1.222 8.074 1.00 0.00 O ATOM 1420 CB LEU A 92 123.085 1.026 6.682 1.00 0.00 C ATOM 1421 CG LEU A 92 122.250 1.678 5.576 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.132 2.511 6.181 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.126 2.543 4.681 1.00 0.00 C ATOM 0 H LEU A 92 122.791 -1.388 5.967 1.00 0.00 H new ATOM 0 HA LEU A 92 124.805 0.653 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.421 0.441 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.510 1.813 7.305 1.00 0.00 H new ATOM 0 HG LEU A 92 121.810 0.888 4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.547 2.969 5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.487 1.871 6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.560 3.291 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.514 2.997 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.594 3.326 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 92 123.898 1.926 4.222 1.00 0.00 H new ATOM 1435 N LYS A 93 126.171 0.560 7.568 1.00 0.00 N ATOM 1436 CA LYS A 93 127.109 0.356 8.667 1.00 0.00 C ATOM 1437 C LYS A 93 126.388 0.536 10.000 1.00 0.00 C ATOM 1438 O LYS A 93 126.558 -0.254 10.930 1.00 0.00 O ATOM 1439 CB LYS A 93 128.273 1.350 8.547 1.00 0.00 C ATOM 1440 CG LYS A 93 129.439 1.078 9.487 1.00 0.00 C ATOM 1441 CD LYS A 93 130.536 2.116 9.301 1.00 0.00 C ATOM 1442 CE LYS A 93 131.786 1.787 10.099 1.00 0.00 C ATOM 1443 NZ LYS A 93 132.846 2.815 9.908 1.00 0.00 N ATOM 0 H LYS A 93 126.390 1.360 6.975 1.00 0.00 H new ATOM 0 HA LYS A 93 127.509 -0.657 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 93 128.640 1.337 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 93 127.896 2.355 8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.090 1.092 10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.839 0.082 9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 93 130.791 2.185 8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 93 130.162 3.094 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 93 131.534 1.716 11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 93 132.166 0.811 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 133.684 2.558 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 133.104 2.865 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 132.492 3.741 10.221 1.00 0.00 H new ATOM 1457 N THR A 94 125.582 1.582 10.074 1.00 0.00 N ATOM 1458 CA THR A 94 124.731 1.825 11.221 1.00 0.00 C ATOM 1459 C THR A 94 123.287 2.010 10.759 1.00 0.00 C ATOM 1460 O THR A 94 122.977 2.971 10.052 1.00 0.00 O ATOM 1461 CB THR A 94 125.195 3.073 12.001 1.00 0.00 C ATOM 1462 OG1 THR A 94 126.536 2.885 12.472 1.00 0.00 O ATOM 1463 CG2 THR A 94 124.275 3.358 13.178 1.00 0.00 C ATOM 0 H THR A 94 125.501 2.285 9.339 1.00 0.00 H new ATOM 0 HA THR A 94 124.796 0.964 11.886 1.00 0.00 H new ATOM 0 HB THR A 94 125.161 3.927 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 94 126.824 3.682 12.965 1.00 0.00 H new ATOM 0 HG21 THR A 94 124.627 4.243 13.709 1.00 0.00 H new ATOM 0 HG22 THR A 94 123.262 3.532 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 94 124.276 2.504 13.856 1.00 0.00 H new ATOM 1471 N PRO A 95 122.395 1.071 11.121 1.00 0.00 N ATOM 1472 CA PRO A 95 120.975 1.143 10.761 1.00 0.00 C ATOM 1473 C PRO A 95 120.339 2.452 11.212 1.00 0.00 C ATOM 1474 O PRO A 95 120.463 2.852 12.373 1.00 0.00 O ATOM 1475 CB PRO A 95 120.355 -0.040 11.503 1.00 0.00 C ATOM 1476 CG PRO A 95 121.482 -0.992 11.700 1.00 0.00 C ATOM 1477 CD PRO A 95 122.704 -0.141 11.898 1.00 0.00 C ATOM 0 HA PRO A 95 120.823 1.105 9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.927 0.270 12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 95 119.550 -0.493 10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 95 121.307 -1.632 12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.597 -1.647 10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.871 0.087 12.951 1.00 0.00 H new ATOM 0 HD3 PRO A 95 123.604 -0.636 11.532 1.00 0.00 H new ATOM 1485 N VAL A 96 119.655 3.112 10.294 1.00 0.00 N ATOM 1486 CA VAL A 96 119.086 4.422 10.565 1.00 0.00 C ATOM 1487 C VAL A 96 117.624 4.302 10.963 1.00 0.00 C ATOM 1488 O VAL A 96 116.763 4.038 10.126 1.00 0.00 O ATOM 1489 CB VAL A 96 119.211 5.356 9.344 1.00 0.00 C ATOM 1490 CG1 VAL A 96 118.651 6.736 9.659 1.00 0.00 C ATOM 1491 CG2 VAL A 96 120.660 5.455 8.896 1.00 0.00 C ATOM 0 H VAL A 96 119.479 2.762 9.352 1.00 0.00 H new ATOM 0 HA VAL A 96 119.651 4.854 11.391 1.00 0.00 H new ATOM 0 HB VAL A 96 118.626 4.932 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 96 118.750 7.377 8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 96 117.598 6.649 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 96 119.203 7.171 10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 96 120.730 6.118 8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 96 121.266 5.853 9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 96 121.025 4.465 8.623 1.00 0.00 H new ATOM 1501 N THR A 97 117.350 4.482 12.244 1.00 0.00 N ATOM 1502 CA THR A 97 115.989 4.428 12.742 1.00 0.00 C ATOM 1503 C THR A 97 115.227 5.688 12.347 1.00 0.00 C ATOM 1504 O THR A 97 115.832 6.709 12.012 1.00 0.00 O ATOM 1505 CB THR A 97 115.964 4.272 14.274 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.785 5.282 14.876 1.00 0.00 O ATOM 1507 CG2 THR A 97 116.456 2.893 14.690 1.00 0.00 C ATOM 0 H THR A 97 118.055 4.667 12.958 1.00 0.00 H new ATOM 0 HA THR A 97 115.507 3.559 12.295 1.00 0.00 H new ATOM 0 HB THR A 97 114.935 4.385 14.614 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.766 5.181 15.851 1.00 0.00 H new ATOM 0 HG21 THR A 97 116.428 2.809 15.776 1.00 0.00 H new ATOM 0 HG22 THR A 97 115.814 2.130 14.251 1.00 0.00 H new ATOM 0 HG23 THR A 97 117.479 2.751 14.341 1.00 0.00 H new ATOM 1515 N LEU A 98 113.903 5.613 12.383 1.00 0.00 N ATOM 1516 CA LEU A 98 113.059 6.754 12.055 1.00 0.00 C ATOM 1517 C LEU A 98 113.352 7.924 12.991 1.00 0.00 C ATOM 1518 O LEU A 98 113.240 9.087 12.605 1.00 0.00 O ATOM 1519 CB LEU A 98 111.580 6.364 12.143 1.00 0.00 C ATOM 1520 CG LEU A 98 110.597 7.427 11.650 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.832 7.727 10.177 1.00 0.00 C ATOM 1522 CD2 LEU A 98 109.165 6.971 11.882 1.00 0.00 C ATOM 0 H LEU A 98 113.389 4.770 12.637 1.00 0.00 H new ATOM 0 HA LEU A 98 113.280 7.064 11.034 1.00 0.00 H new ATOM 0 HB2 LEU A 98 111.426 5.453 11.565 1.00 0.00 H new ATOM 0 HB3 LEU A 98 111.344 6.127 13.180 1.00 0.00 H new ATOM 0 HG LEU A 98 110.763 8.343 12.217 1.00 0.00 H new ATOM 0 HD11 LEU A 98 110.124 8.485 9.843 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.849 8.094 10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.692 6.817 9.593 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.477 7.738 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.986 6.043 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.004 6.805 12.947 1.00 0.00 H new ATOM 1534 N ALA A 99 113.759 7.605 14.214 1.00 0.00 N ATOM 1535 CA ALA A 99 114.109 8.622 15.196 1.00 0.00 C ATOM 1536 C ALA A 99 115.337 9.409 14.745 1.00 0.00 C ATOM 1537 O ALA A 99 115.453 10.604 15.019 1.00 0.00 O ATOM 1538 CB ALA A 99 114.353 7.985 16.555 1.00 0.00 C ATOM 0 H ALA A 99 113.855 6.646 14.549 1.00 0.00 H new ATOM 0 HA ALA A 99 113.273 9.316 15.284 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.614 8.758 17.278 1.00 0.00 H new ATOM 0 HB2 ALA A 99 113.450 7.471 16.883 1.00 0.00 H new ATOM 0 HB3 ALA A 99 115.171 7.269 16.479 1.00 0.00 H new ATOM 1544 N ALA A 100 116.236 8.735 14.035 1.00 0.00 N ATOM 1545 CA ALA A 100 117.445 9.366 13.529 1.00 0.00 C ATOM 1546 C ALA A 100 117.145 10.130 12.246 1.00 0.00 C ATOM 1547 O ALA A 100 117.809 11.112 11.924 1.00 0.00 O ATOM 1548 CB ALA A 100 118.527 8.324 13.292 1.00 0.00 C ATOM 0 H ALA A 100 116.147 7.747 13.797 1.00 0.00 H new ATOM 0 HA ALA A 100 117.808 10.074 14.274 1.00 0.00 H new ATOM 0 HB1 ALA A 100 119.425 8.812 12.913 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.757 7.818 14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 100 118.176 7.594 12.563 1.00 0.00 H new ATOM 1554 N VAL A 101 116.130 9.673 11.520 1.00 0.00 N ATOM 1555 CA VAL A 101 115.659 10.375 10.331 1.00 0.00 C ATOM 1556 C VAL A 101 115.117 11.748 10.721 1.00 0.00 C ATOM 1557 O VAL A 101 115.247 12.721 9.979 1.00 0.00 O ATOM 1558 CB VAL A 101 114.560 9.567 9.600 1.00 0.00 C ATOM 1559 CG1 VAL A 101 114.021 10.332 8.399 1.00 0.00 C ATOM 1560 CG2 VAL A 101 115.089 8.210 9.170 1.00 0.00 C ATOM 0 H VAL A 101 115.617 8.818 11.735 1.00 0.00 H new ATOM 0 HA VAL A 101 116.503 10.493 9.651 1.00 0.00 H new ATOM 0 HB VAL A 101 113.738 9.414 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 101 113.251 9.739 7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.593 11.278 8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.833 10.528 7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.301 7.658 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.934 8.346 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.412 7.651 10.048 1.00 0.00 H new ATOM 1570 N LYS A 102 114.540 11.823 11.916 1.00 0.00 N ATOM 1571 CA LYS A 102 113.976 13.065 12.427 1.00 0.00 C ATOM 1572 C LYS A 102 115.070 14.011 12.915 1.00 0.00 C ATOM 1573 O LYS A 102 114.792 15.147 13.304 1.00 0.00 O ATOM 1574 CB LYS A 102 113.000 12.775 13.572 1.00 0.00 C ATOM 1575 CG LYS A 102 111.860 11.848 13.183 1.00 0.00 C ATOM 1576 CD LYS A 102 110.918 11.581 14.350 1.00 0.00 C ATOM 1577 CE LYS A 102 109.865 12.673 14.514 1.00 0.00 C ATOM 1578 NZ LYS A 102 110.455 13.998 14.844 1.00 0.00 N ATOM 0 H LYS A 102 114.451 11.031 12.552 1.00 0.00 H new ATOM 0 HA LYS A 102 113.442 13.548 11.608 1.00 0.00 H new ATOM 0 HB2 LYS A 102 113.549 12.332 14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.585 13.717 13.931 1.00 0.00 H new ATOM 0 HG2 LYS A 102 111.300 12.289 12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 102 112.268 10.903 12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.422 10.622 14.200 1.00 0.00 H new ATOM 0 HD3 LYS A 102 111.498 11.499 15.269 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.288 12.756 13.593 1.00 0.00 H new ATOM 0 HE3 LYS A 102 109.168 12.384 15.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 109.746 14.582 15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 111.279 13.866 15.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 110.753 14.473 13.968 1.00 0.00 H new ATOM 1592 N ALA A 103 116.313 13.542 12.903 1.00 0.00 N ATOM 1593 CA ALA A 103 117.440 14.360 13.344 1.00 0.00 C ATOM 1594 C ALA A 103 117.915 15.294 12.235 1.00 0.00 C ATOM 1595 O ALA A 103 118.823 16.105 12.438 1.00 0.00 O ATOM 1596 CB ALA A 103 118.588 13.483 13.819 1.00 0.00 C ATOM 0 H ALA A 103 116.567 12.604 12.594 1.00 0.00 H new ATOM 0 HA ALA A 103 117.097 14.971 14.179 1.00 0.00 H new ATOM 0 HB1 ALA A 103 119.417 14.112 14.143 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.254 12.866 14.653 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.918 12.841 13.002 1.00 0.00 H new ATOM 1602 N GLU A 104 117.307 15.176 11.064 1.00 0.00 N ATOM 1603 CA GLU A 104 117.659 16.016 9.933 1.00 0.00 C ATOM 1604 C GLU A 104 116.410 16.635 9.312 1.00 0.00 C ATOM 1605 O GLU A 104 115.544 15.925 8.797 1.00 0.00 O ATOM 1606 CB GLU A 104 118.435 15.197 8.894 1.00 0.00 C ATOM 1607 CG GLU A 104 118.800 15.971 7.637 1.00 0.00 C ATOM 1608 CD GLU A 104 119.469 17.295 7.936 1.00 0.00 C ATOM 1609 OE1 GLU A 104 120.480 17.310 8.671 1.00 0.00 O ATOM 1610 OE2 GLU A 104 118.970 18.332 7.453 1.00 0.00 O ATOM 0 H GLU A 104 116.564 14.503 10.874 1.00 0.00 H new ATOM 0 HA GLU A 104 118.296 16.828 10.284 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.349 14.820 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 104 117.839 14.329 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 104 119.465 15.364 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 104 117.898 16.149 7.051 1.00 0.00 H new ATOM 1617 N PRO A 105 116.298 17.975 9.375 1.00 0.00 N ATOM 1618 CA PRO A 105 115.175 18.726 8.791 1.00 0.00 C ATOM 1619 C PRO A 105 114.932 18.399 7.316 1.00 0.00 C ATOM 1620 O PRO A 105 113.790 18.402 6.856 1.00 0.00 O ATOM 1621 CB PRO A 105 115.608 20.186 8.943 1.00 0.00 C ATOM 1622 CG PRO A 105 116.528 20.183 10.111 1.00 0.00 C ATOM 1623 CD PRO A 105 117.257 18.871 10.056 1.00 0.00 C ATOM 0 HA PRO A 105 114.235 18.482 9.287 1.00 0.00 H new ATOM 0 HB2 PRO A 105 116.109 20.547 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.751 20.838 9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.225 21.020 10.062 1.00 0.00 H new ATOM 0 HG3 PRO A 105 115.975 20.284 11.045 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.192 18.954 9.502 1.00 0.00 H new ATOM 0 HD3 PRO A 105 117.508 18.508 11.053 1.00 0.00 H new ATOM 1631 N ARG A 106 116.003 18.115 6.578 1.00 0.00 N ATOM 1632 CA ARG A 106 115.890 17.768 5.161 1.00 0.00 C ATOM 1633 C ARG A 106 115.070 16.495 4.967 1.00 0.00 C ATOM 1634 O ARG A 106 114.358 16.346 3.976 1.00 0.00 O ATOM 1635 CB ARG A 106 117.275 17.589 4.535 1.00 0.00 C ATOM 1636 CG ARG A 106 118.048 18.887 4.392 1.00 0.00 C ATOM 1637 CD ARG A 106 119.444 18.654 3.837 1.00 0.00 C ATOM 1638 NE ARG A 106 119.431 18.042 2.506 1.00 0.00 N ATOM 1639 CZ ARG A 106 120.259 18.394 1.518 1.00 0.00 C ATOM 1640 NH1 ARG A 106 121.111 19.399 1.678 1.00 0.00 N ATOM 1641 NH2 ARG A 106 120.221 17.761 0.359 1.00 0.00 N ATOM 0 H ARG A 106 116.958 18.118 6.936 1.00 0.00 H new ATOM 0 HA ARG A 106 115.377 18.591 4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 106 117.854 16.896 5.146 1.00 0.00 H new ATOM 0 HB3 ARG A 106 117.164 17.131 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 106 117.503 19.564 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 106 118.120 19.376 5.363 1.00 0.00 H new ATOM 0 HD2 ARG A 106 119.974 19.605 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 106 120.000 18.013 4.521 1.00 0.00 H new ATOM 0 HE ARG A 106 118.751 17.305 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 106 121.137 19.910 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 106 121.739 19.661 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 106 119.557 17.000 0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 106 120.855 18.034 -0.392 1.00 0.00 H new ATOM 1655 N LEU A 107 115.144 15.597 5.939 1.00 0.00 N ATOM 1656 CA LEU A 107 114.485 14.304 5.836 1.00 0.00 C ATOM 1657 C LEU A 107 113.053 14.371 6.358 1.00 0.00 C ATOM 1658 O LEU A 107 112.293 13.412 6.233 1.00 0.00 O ATOM 1659 CB LEU A 107 115.275 13.248 6.608 1.00 0.00 C ATOM 1660 CG LEU A 107 116.738 13.098 6.186 1.00 0.00 C ATOM 1661 CD1 LEU A 107 117.422 12.027 7.017 1.00 0.00 C ATOM 1662 CD2 LEU A 107 116.839 12.774 4.701 1.00 0.00 C ATOM 0 H LEU A 107 115.655 15.741 6.810 1.00 0.00 H new ATOM 0 HA LEU A 107 114.449 14.027 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 107 115.242 13.495 7.669 1.00 0.00 H new ATOM 0 HB3 LEU A 107 114.778 12.285 6.489 1.00 0.00 H new ATOM 0 HG LEU A 107 117.246 14.046 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 107 118.462 11.933 6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 107 117.384 12.304 8.071 1.00 0.00 H new ATOM 0 HD13 LEU A 107 116.912 11.074 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 107 117.888 12.671 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.316 11.840 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 107 116.386 13.578 4.121 1.00 0.00 H new ATOM 1674 N ALA A 108 112.684 15.513 6.923 1.00 0.00 N ATOM 1675 CA ALA A 108 111.347 15.697 7.474 1.00 0.00 C ATOM 1676 C ALA A 108 110.322 15.886 6.362 1.00 0.00 C ATOM 1677 O ALA A 108 109.129 15.645 6.553 1.00 0.00 O ATOM 1678 CB ALA A 108 111.323 16.881 8.429 1.00 0.00 C ATOM 0 H ALA A 108 113.292 16.327 7.012 1.00 0.00 H new ATOM 0 HA ALA A 108 111.082 14.798 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 108 110.317 17.004 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.021 16.703 9.247 1.00 0.00 H new ATOM 0 HB3 ALA A 108 111.613 17.786 7.894 1.00 0.00 H new ATOM 1684 N ASP A 109 110.790 16.317 5.197 1.00 0.00 N ATOM 1685 CA ASP A 109 109.914 16.506 4.044 1.00 0.00 C ATOM 1686 C ASP A 109 109.880 15.240 3.200 1.00 0.00 C ATOM 1687 O ASP A 109 109.028 15.081 2.326 1.00 0.00 O ATOM 1688 CB ASP A 109 110.379 17.705 3.210 1.00 0.00 C ATOM 1689 CG ASP A 109 109.418 18.054 2.087 1.00 0.00 C ATOM 1690 OD1 ASP A 109 108.203 18.186 2.357 1.00 0.00 O ATOM 1691 OD2 ASP A 109 109.876 18.225 0.938 1.00 0.00 O ATOM 0 H ASP A 109 111.770 16.542 5.024 1.00 0.00 H new ATOM 0 HA ASP A 109 108.904 16.711 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 109 110.497 18.570 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 109 111.360 17.488 2.787 1.00 0.00 H new ATOM 1696 N MET A 110 110.797 14.327 3.488 1.00 0.00 N ATOM 1697 CA MET A 110 110.816 13.031 2.829 1.00 0.00 C ATOM 1698 C MET A 110 109.539 12.271 3.172 1.00 0.00 C ATOM 1699 O MET A 110 109.044 12.352 4.299 1.00 0.00 O ATOM 1700 CB MET A 110 112.054 12.235 3.251 1.00 0.00 C ATOM 1701 CG MET A 110 112.186 10.882 2.569 1.00 0.00 C ATOM 1702 SD MET A 110 113.722 10.038 2.995 1.00 0.00 S ATOM 1703 CE MET A 110 113.590 9.952 4.779 1.00 0.00 C ATOM 0 H MET A 110 111.539 14.461 4.175 1.00 0.00 H new ATOM 0 HA MET A 110 110.863 13.175 1.750 1.00 0.00 H new ATOM 0 HB2 MET A 110 112.944 12.827 3.035 1.00 0.00 H new ATOM 0 HB3 MET A 110 112.025 12.084 4.330 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.341 10.254 2.850 1.00 0.00 H new ATOM 0 HG3 MET A 110 112.138 11.018 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 110 114.389 10.539 5.232 1.00 0.00 H new ATOM 0 HE2 MET A 110 112.625 10.350 5.092 1.00 0.00 H new ATOM 0 HE3 MET A 110 113.676 8.914 5.101 1.00 0.00 H new ATOM 1713 N ALA A 111 109.012 11.536 2.201 1.00 0.00 N ATOM 1714 CA ALA A 111 107.717 10.876 2.342 1.00 0.00 C ATOM 1715 C ALA A 111 107.684 9.898 3.516 1.00 0.00 C ATOM 1716 O ALA A 111 106.616 9.558 4.011 1.00 0.00 O ATOM 1717 CB ALA A 111 107.349 10.162 1.052 1.00 0.00 C ATOM 0 H ALA A 111 109.464 11.380 1.300 1.00 0.00 H new ATOM 0 HA ALA A 111 106.981 11.653 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 111 106.382 9.674 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 111 107.294 10.886 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 111 108.107 9.414 0.821 1.00 0.00 H new ATOM 1723 N LEU A 112 108.848 9.453 3.965 1.00 0.00 N ATOM 1724 CA LEU A 112 108.935 8.549 5.109 1.00 0.00 C ATOM 1725 C LEU A 112 108.401 9.216 6.381 1.00 0.00 C ATOM 1726 O LEU A 112 107.963 8.540 7.311 1.00 0.00 O ATOM 1727 CB LEU A 112 110.387 8.105 5.318 1.00 0.00 C ATOM 1728 CG LEU A 112 110.597 7.024 6.383 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.881 5.741 5.993 1.00 0.00 C ATOM 1730 CD2 LEU A 112 112.082 6.760 6.589 1.00 0.00 C ATOM 0 H LEU A 112 109.749 9.702 3.556 1.00 0.00 H new ATOM 0 HA LEU A 112 108.318 7.675 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.777 7.737 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 112 110.981 8.978 5.589 1.00 0.00 H new ATOM 0 HG LEU A 112 110.175 7.382 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 112 110.043 4.986 6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.813 5.936 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.273 5.380 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 112 112.213 5.990 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.525 6.424 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.573 7.677 6.914 1.00 0.00 H new ATOM 1742 N MET A 113 108.423 10.544 6.407 1.00 0.00 N ATOM 1743 CA MET A 113 107.991 11.293 7.582 1.00 0.00 C ATOM 1744 C MET A 113 106.529 11.720 7.488 1.00 0.00 C ATOM 1745 O MET A 113 105.885 11.963 8.510 1.00 0.00 O ATOM 1746 CB MET A 113 108.871 12.530 7.777 1.00 0.00 C ATOM 1747 CG MET A 113 110.217 12.243 8.425 1.00 0.00 C ATOM 1748 SD MET A 113 110.171 12.348 10.230 1.00 0.00 S ATOM 1749 CE MET A 113 109.019 11.040 10.645 1.00 0.00 C ATOM 0 H MET A 113 108.735 11.124 5.628 1.00 0.00 H new ATOM 0 HA MET A 113 108.092 10.627 8.439 1.00 0.00 H new ATOM 0 HB2 MET A 113 109.040 12.998 6.807 1.00 0.00 H new ATOM 0 HB3 MET A 113 108.332 13.252 8.390 1.00 0.00 H new ATOM 0 HG2 MET A 113 110.549 11.247 8.133 1.00 0.00 H new ATOM 0 HG3 MET A 113 110.955 12.949 8.044 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.216 10.690 11.658 1.00 0.00 H new ATOM 0 HE2 MET A 113 107.999 11.420 10.584 1.00 0.00 H new ATOM 0 HE3 MET A 113 109.140 10.213 9.946 1.00 0.00 H new ATOM 1759 N LYS A 114 105.995 11.810 6.275 1.00 0.00 N ATOM 1760 CA LYS A 114 104.659 12.372 6.087 1.00 0.00 C ATOM 1761 C LYS A 114 103.715 11.449 5.305 1.00 0.00 C ATOM 1762 O LYS A 114 102.551 11.787 5.087 1.00 0.00 O ATOM 1763 CB LYS A 114 104.756 13.748 5.415 1.00 0.00 C ATOM 1764 CG LYS A 114 105.771 13.832 4.281 1.00 0.00 C ATOM 1765 CD LYS A 114 105.848 15.240 3.706 1.00 0.00 C ATOM 1766 CE LYS A 114 106.318 16.244 4.748 1.00 0.00 C ATOM 1767 NZ LYS A 114 106.440 17.617 4.190 1.00 0.00 N ATOM 0 H LYS A 114 106.457 11.507 5.418 1.00 0.00 H new ATOM 0 HA LYS A 114 104.220 12.480 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 114 103.774 14.018 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 114 105.014 14.489 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 114 106.753 13.533 4.647 1.00 0.00 H new ATOM 0 HG3 LYS A 114 105.497 13.130 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.530 15.250 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 114 104.868 15.535 3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 114 105.617 16.254 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 114 107.283 15.928 5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 106.935 18.226 4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 106.978 17.584 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 105.492 18.003 4.006 1.00 0.00 H new ATOM 1781 N TYR A 115 104.201 10.287 4.895 1.00 0.00 N ATOM 1782 CA TYR A 115 103.363 9.319 4.188 1.00 0.00 C ATOM 1783 C TYR A 115 103.510 7.930 4.800 1.00 0.00 C ATOM 1784 O TYR A 115 104.515 7.243 4.594 1.00 0.00 O ATOM 1785 CB TYR A 115 103.714 9.268 2.696 1.00 0.00 C ATOM 1786 CG TYR A 115 103.331 10.514 1.924 1.00 0.00 C ATOM 1787 CD1 TYR A 115 102.068 10.644 1.355 1.00 0.00 C ATOM 1788 CD2 TYR A 115 104.232 11.558 1.759 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.719 11.779 0.648 1.00 0.00 C ATOM 1790 CE2 TYR A 115 103.889 12.694 1.054 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.634 12.800 0.500 1.00 0.00 C ATOM 1792 OH TYR A 115 102.292 13.931 -0.204 1.00 0.00 O ATOM 0 H TYR A 115 105.166 9.989 5.037 1.00 0.00 H new ATOM 0 HA TYR A 115 102.328 9.644 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.787 9.105 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 115 103.216 8.409 2.247 1.00 0.00 H new ATOM 0 HD1 TYR A 115 101.349 9.846 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 115 105.219 11.480 2.190 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.734 11.866 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 115 104.603 13.496 0.938 1.00 0.00 H new ATOM 0 HH TYR A 115 103.050 14.552 -0.213 1.00 0.00 H new ATOM 1802 N SER A 116 102.508 7.515 5.559 1.00 0.00 N ATOM 1803 CA SER A 116 102.545 6.219 6.213 1.00 0.00 C ATOM 1804 C SER A 116 102.003 5.123 5.298 1.00 0.00 C ATOM 1805 O SER A 116 102.532 4.011 5.270 1.00 0.00 O ATOM 1806 CB SER A 116 101.755 6.268 7.519 1.00 0.00 C ATOM 1807 OG SER A 116 100.465 6.817 7.316 1.00 0.00 O ATOM 0 H SER A 116 101.662 8.056 5.736 1.00 0.00 H new ATOM 0 HA SER A 116 103.584 5.979 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 116 101.665 5.263 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 116 102.296 6.865 8.253 1.00 0.00 H new ATOM 0 HG SER A 116 99.980 6.835 8.167 1.00 0.00 H new ATOM 1813 N ARG A 117 100.971 5.452 4.530 1.00 0.00 N ATOM 1814 CA ARG A 117 100.319 4.472 3.663 1.00 0.00 C ATOM 1815 C ARG A 117 101.166 4.163 2.430 1.00 0.00 C ATOM 1816 O ARG A 117 100.977 3.135 1.780 1.00 0.00 O ATOM 1817 CB ARG A 117 98.938 4.975 3.234 1.00 0.00 C ATOM 1818 CG ARG A 117 98.045 5.358 4.402 1.00 0.00 C ATOM 1819 CD ARG A 117 96.675 5.817 3.933 1.00 0.00 C ATOM 1820 NE ARG A 117 95.842 4.702 3.483 1.00 0.00 N ATOM 1821 CZ ARG A 117 94.900 4.806 2.547 1.00 0.00 C ATOM 1822 NH1 ARG A 117 94.745 5.944 1.873 1.00 0.00 N ATOM 1823 NH2 ARG A 117 94.122 3.763 2.275 1.00 0.00 N ATOM 0 H ARG A 117 100.567 6.388 4.488 1.00 0.00 H new ATOM 0 HA ARG A 117 100.205 3.551 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 117 99.061 5.840 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 117 98.444 4.201 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 117 97.934 4.504 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 117 98.519 6.154 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 117 96.171 6.340 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 117 96.792 6.532 3.119 1.00 0.00 H new ATOM 0 HE ARG A 117 95.992 3.789 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.349 6.741 2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.022 6.018 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 117 94.248 2.887 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 117 93.400 3.839 1.559 1.00 0.00 H new ATOM 1837 N LEU A 118 102.098 5.051 2.110 1.00 0.00 N ATOM 1838 CA LEU A 118 102.971 4.852 0.964 1.00 0.00 C ATOM 1839 C LEU A 118 104.172 3.997 1.361 1.00 0.00 C ATOM 1840 O LEU A 118 105.082 4.463 2.050 1.00 0.00 O ATOM 1841 CB LEU A 118 103.427 6.202 0.401 1.00 0.00 C ATOM 1842 CG LEU A 118 104.195 6.139 -0.923 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.333 5.532 -2.023 1.00 0.00 C ATOM 1844 CD2 LEU A 118 104.666 7.527 -1.326 1.00 0.00 C ATOM 0 H LEU A 118 102.268 5.914 2.627 1.00 0.00 H new ATOM 0 HA LEU A 118 102.417 4.328 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 118 102.549 6.833 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.057 6.691 1.144 1.00 0.00 H new ATOM 0 HG LEU A 118 105.066 5.499 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.900 5.498 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 118 103.040 4.521 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.441 6.142 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.210 7.467 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 118 103.804 8.183 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.322 7.927 -0.553 1.00 0.00 H new ATOM 1856 N SER A 119 104.147 2.735 0.955 1.00 0.00 N ATOM 1857 CA SER A 119 105.205 1.793 1.296 1.00 0.00 C ATOM 1858 C SER A 119 106.348 1.841 0.282 1.00 0.00 C ATOM 1859 O SER A 119 107.455 1.386 0.561 1.00 0.00 O ATOM 1860 CB SER A 119 104.624 0.381 1.374 1.00 0.00 C ATOM 1861 OG SER A 119 103.528 0.336 2.275 1.00 0.00 O ATOM 0 H SER A 119 103.400 2.338 0.385 1.00 0.00 H new ATOM 0 HA SER A 119 105.616 2.074 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.300 0.061 0.384 1.00 0.00 H new ATOM 0 HB3 SER A 119 105.396 -0.317 1.698 1.00 0.00 H new ATOM 0 HG SER A 119 103.170 -0.576 2.309 1.00 0.00 H new ATOM 1867 N VAL A 120 106.072 2.393 -0.893 1.00 0.00 N ATOM 1868 CA VAL A 120 107.078 2.513 -1.942 1.00 0.00 C ATOM 1869 C VAL A 120 107.178 3.962 -2.405 1.00 0.00 C ATOM 1870 O VAL A 120 106.288 4.468 -3.096 1.00 0.00 O ATOM 1871 CB VAL A 120 106.764 1.603 -3.153 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.797 1.790 -4.255 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.702 0.141 -2.728 1.00 0.00 C ATOM 0 H VAL A 120 105.157 2.766 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 120 108.030 2.191 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 120 105.788 1.891 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.554 1.140 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 120 107.791 2.828 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.786 1.536 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.480 -0.481 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.662 -0.156 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.920 0.012 -1.980 1.00 0.00 H new ATOM 1883 N GLN A 121 108.254 4.624 -2.018 1.00 0.00 N ATOM 1884 CA GLN A 121 108.431 6.041 -2.314 1.00 0.00 C ATOM 1885 C GLN A 121 109.761 6.289 -3.020 1.00 0.00 C ATOM 1886 O GLN A 121 110.700 5.512 -2.866 1.00 0.00 O ATOM 1887 CB GLN A 121 108.361 6.856 -1.018 1.00 0.00 C ATOM 1888 CG GLN A 121 109.315 6.366 0.059 1.00 0.00 C ATOM 1889 CD GLN A 121 109.201 7.155 1.345 1.00 0.00 C ATOM 1890 OE1 GLN A 121 109.903 8.145 1.550 1.00 0.00 O ATOM 1891 NE2 GLN A 121 108.307 6.724 2.219 1.00 0.00 N ATOM 0 H GLN A 121 109.023 4.204 -1.496 1.00 0.00 H new ATOM 0 HA GLN A 121 107.629 6.357 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 121 108.583 7.899 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 121 107.342 6.823 -0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 121 109.115 5.314 0.264 1.00 0.00 H new ATOM 0 HG3 GLN A 121 110.338 6.430 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 121 107.745 5.899 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 121 108.179 7.217 3.103 1.00 0.00 H new ATOM 1900 N PRO A 122 109.844 7.359 -3.831 1.00 0.00 N ATOM 1901 CA PRO A 122 111.087 7.760 -4.484 1.00 0.00 C ATOM 1902 C PRO A 122 111.946 8.660 -3.599 1.00 0.00 C ATOM 1903 O PRO A 122 111.430 9.525 -2.888 1.00 0.00 O ATOM 1904 CB PRO A 122 110.592 8.527 -5.707 1.00 0.00 C ATOM 1905 CG PRO A 122 109.305 9.145 -5.273 1.00 0.00 C ATOM 1906 CD PRO A 122 108.728 8.251 -4.199 1.00 0.00 C ATOM 0 HA PRO A 122 111.726 6.908 -4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 122 111.311 9.286 -6.016 1.00 0.00 H new ATOM 0 HB3 PRO A 122 110.445 7.862 -6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 122 109.470 10.152 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 122 108.616 9.233 -6.113 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.382 8.830 -3.343 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.872 7.686 -4.569 1.00 0.00 H new ATOM 1914 N VAL A 123 113.255 8.455 -3.649 1.00 0.00 N ATOM 1915 CA VAL A 123 114.188 9.254 -2.867 1.00 0.00 C ATOM 1916 C VAL A 123 115.151 9.987 -3.792 1.00 0.00 C ATOM 1917 O VAL A 123 115.637 9.417 -4.770 1.00 0.00 O ATOM 1918 CB VAL A 123 115.003 8.384 -1.878 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.949 9.241 -1.047 1.00 0.00 C ATOM 1920 CG2 VAL A 123 114.085 7.587 -0.970 1.00 0.00 C ATOM 0 H VAL A 123 113.696 7.739 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 123 113.600 9.969 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 123 115.598 7.686 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.509 8.605 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.643 9.762 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.373 9.971 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.683 6.985 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.456 8.270 -0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.455 6.933 -1.573 1.00 0.00 H new ATOM 1930 N THR A 124 115.412 11.250 -3.495 1.00 0.00 N ATOM 1931 CA THR A 124 116.370 12.021 -4.262 1.00 0.00 C ATOM 1932 C THR A 124 117.793 11.647 -3.859 1.00 0.00 C ATOM 1933 O THR A 124 118.053 11.339 -2.695 1.00 0.00 O ATOM 1934 CB THR A 124 116.143 13.534 -4.075 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.780 13.809 -2.718 1.00 0.00 O ATOM 1936 CG2 THR A 124 115.057 14.040 -5.011 1.00 0.00 C ATOM 0 H THR A 124 114.973 11.760 -2.729 1.00 0.00 H new ATOM 0 HA THR A 124 116.226 11.785 -5.316 1.00 0.00 H new ATOM 0 HB THR A 124 117.072 14.051 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.608 14.768 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.916 15.110 -4.860 1.00 0.00 H new ATOM 0 HG22 THR A 124 115.352 13.855 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 124 114.124 13.518 -4.801 1.00 0.00 H new ATOM 1944 N ALA A 125 118.702 11.673 -4.830 1.00 0.00 N ATOM 1945 CA ALA A 125 120.084 11.242 -4.622 1.00 0.00 C ATOM 1946 C ALA A 125 120.739 11.954 -3.444 1.00 0.00 C ATOM 1947 O ALA A 125 121.453 11.333 -2.659 1.00 0.00 O ATOM 1948 CB ALA A 125 120.896 11.468 -5.888 1.00 0.00 C ATOM 0 H ALA A 125 118.504 11.991 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 125 120.062 10.178 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.924 11.144 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.461 10.894 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.886 12.528 -6.142 1.00 0.00 H new ATOM 1954 N GLU A 126 120.479 13.248 -3.315 1.00 0.00 N ATOM 1955 CA GLU A 126 121.086 14.047 -2.257 1.00 0.00 C ATOM 1956 C GLU A 126 120.638 13.570 -0.877 1.00 0.00 C ATOM 1957 O GLU A 126 121.462 13.399 0.020 1.00 0.00 O ATOM 1958 CB GLU A 126 120.741 15.523 -2.448 1.00 0.00 C ATOM 1959 CG GLU A 126 121.266 16.099 -3.752 1.00 0.00 C ATOM 1960 CD GLU A 126 120.740 17.489 -4.028 1.00 0.00 C ATOM 1961 OE1 GLU A 126 119.561 17.606 -4.428 1.00 0.00 O ATOM 1962 OE2 GLU A 126 121.501 18.464 -3.859 1.00 0.00 O ATOM 0 H GLU A 126 119.852 13.768 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 126 122.167 13.925 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 126 119.658 15.643 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 126 121.150 16.095 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 126 122.355 16.127 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 126 120.988 15.440 -4.574 1.00 0.00 H new ATOM 1969 N GLU A 127 119.339 13.330 -0.716 1.00 0.00 N ATOM 1970 CA GLU A 127 118.807 12.903 0.574 1.00 0.00 C ATOM 1971 C GLU A 127 119.188 11.447 0.835 1.00 0.00 C ATOM 1972 O GLU A 127 119.547 11.080 1.954 1.00 0.00 O ATOM 1973 CB GLU A 127 117.283 13.064 0.640 1.00 0.00 C ATOM 1974 CG GLU A 127 116.760 14.409 0.144 1.00 0.00 C ATOM 1975 CD GLU A 127 117.621 15.593 0.545 1.00 0.00 C ATOM 1976 OE1 GLU A 127 117.559 16.032 1.713 1.00 0.00 O ATOM 1977 OE2 GLU A 127 118.353 16.106 -0.325 1.00 0.00 O ATOM 0 H GLU A 127 118.642 13.423 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 127 119.243 13.541 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.822 12.271 0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.961 12.923 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 127 116.685 14.379 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 127 115.752 14.559 0.529 1.00 0.00 H new ATOM 1984 N TRP A 128 119.104 10.628 -0.213 1.00 0.00 N ATOM 1985 CA TRP A 128 119.545 9.236 -0.162 1.00 0.00 C ATOM 1986 C TRP A 128 120.955 9.131 0.412 1.00 0.00 C ATOM 1987 O TRP A 128 121.185 8.447 1.413 1.00 0.00 O ATOM 1988 CB TRP A 128 119.513 8.633 -1.575 1.00 0.00 C ATOM 1989 CG TRP A 128 120.169 7.285 -1.687 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.505 7.034 -1.844 1.00 0.00 C ATOM 1991 CD2 TRP A 128 119.523 6.010 -1.677 1.00 0.00 C ATOM 1992 NE1 TRP A 128 121.728 5.683 -1.910 1.00 0.00 N ATOM 1993 CE2 TRP A 128 120.528 5.032 -1.816 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.195 5.597 -1.560 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.244 3.672 -1.840 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 117.916 4.246 -1.586 1.00 0.00 C ATOM 1997 CH2 TRP A 128 118.937 3.298 -1.725 1.00 0.00 C ATOM 0 H TRP A 128 118.729 10.911 -1.119 1.00 0.00 H new ATOM 0 HA TRP A 128 118.868 8.683 0.489 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.475 8.547 -1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.004 9.322 -2.262 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.273 7.791 -1.907 1.00 0.00 H new ATOM 0 HE1 TRP A 128 122.639 5.236 -2.012 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.401 6.321 -1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.029 2.938 -1.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 116.892 3.914 -1.498 1.00 0.00 H new ATOM 0 HH2 TRP A 128 118.684 2.248 -1.742 1.00 0.00 H new ATOM 2008 N LYS A 129 121.892 9.824 -0.223 1.00 0.00 N ATOM 2009 CA LYS A 129 123.295 9.740 0.152 1.00 0.00 C ATOM 2010 C LYS A 129 123.545 10.454 1.476 1.00 0.00 C ATOM 2011 O LYS A 129 124.520 10.170 2.171 1.00 0.00 O ATOM 2012 CB LYS A 129 124.170 10.307 -0.970 1.00 0.00 C ATOM 2013 CG LYS A 129 123.964 9.576 -2.291 1.00 0.00 C ATOM 2014 CD LYS A 129 124.800 10.155 -3.419 1.00 0.00 C ATOM 2015 CE LYS A 129 124.593 9.366 -4.704 1.00 0.00 C ATOM 2016 NZ LYS A 129 125.388 9.910 -5.835 1.00 0.00 N ATOM 0 H LYS A 129 121.703 10.453 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 129 123.563 8.693 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.944 11.365 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 129 125.218 10.239 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.215 8.523 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 129 122.910 9.621 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 129 124.529 11.199 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 129 125.854 10.138 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 129 124.869 8.325 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 129 123.535 9.377 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 125.214 9.340 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 125.108 10.895 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 126.400 9.876 -5.596 1.00 0.00 H new ATOM 2030 N LEU A 130 122.646 11.367 1.828 1.00 0.00 N ATOM 2031 CA LEU A 130 122.695 12.024 3.125 1.00 0.00 C ATOM 2032 C LEU A 130 122.395 11.014 4.228 1.00 0.00 C ATOM 2033 O LEU A 130 123.132 10.919 5.207 1.00 0.00 O ATOM 2034 CB LEU A 130 121.698 13.187 3.180 1.00 0.00 C ATOM 2035 CG LEU A 130 121.664 13.965 4.497 1.00 0.00 C ATOM 2036 CD1 LEU A 130 123.013 14.615 4.776 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.566 15.016 4.462 1.00 0.00 C ATOM 0 H LEU A 130 121.875 11.668 1.232 1.00 0.00 H new ATOM 0 HA LEU A 130 123.696 12.428 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.933 13.882 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.700 12.796 2.983 1.00 0.00 H new ATOM 0 HG LEU A 130 121.450 13.263 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.965 15.163 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.781 13.845 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.259 15.304 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.554 15.561 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.754 15.711 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.602 14.530 4.312 1.00 0.00 H new ATOM 2049 N VAL A 131 121.321 10.246 4.050 1.00 0.00 N ATOM 2050 CA VAL A 131 120.944 9.206 5.009 1.00 0.00 C ATOM 2051 C VAL A 131 122.027 8.136 5.096 1.00 0.00 C ATOM 2052 O VAL A 131 122.378 7.686 6.186 1.00 0.00 O ATOM 2053 CB VAL A 131 119.604 8.534 4.632 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.226 7.462 5.646 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.496 9.566 4.516 1.00 0.00 C ATOM 0 H VAL A 131 120.695 10.324 3.249 1.00 0.00 H new ATOM 0 HA VAL A 131 120.828 9.695 5.976 1.00 0.00 H new ATOM 0 HB VAL A 131 119.733 8.056 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.279 7.005 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 131 120.003 6.698 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.124 7.914 6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.563 9.070 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.375 10.079 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.754 10.291 3.744 1.00 0.00 H new ATOM 2065 N CYS A 132 122.551 7.738 3.942 1.00 0.00 N ATOM 2066 CA CYS A 132 123.625 6.752 3.884 1.00 0.00 C ATOM 2067 C CYS A 132 124.819 7.207 4.718 1.00 0.00 C ATOM 2068 O CYS A 132 125.275 6.495 5.612 1.00 0.00 O ATOM 2069 CB CYS A 132 124.057 6.532 2.436 1.00 0.00 C ATOM 2070 SG CYS A 132 122.748 5.902 1.362 1.00 0.00 S ATOM 0 H CYS A 132 122.249 8.084 3.031 1.00 0.00 H new ATOM 0 HA CYS A 132 123.252 5.813 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.422 7.475 2.030 1.00 0.00 H new ATOM 0 HB3 CYS A 132 124.893 5.833 2.420 1.00 0.00 H new ATOM 0 HG CYS A 132 121.921 6.863 1.076 1.00 0.00 H new ATOM 2076 N LYS A 133 125.297 8.411 4.434 1.00 0.00 N ATOM 2077 CA LYS A 133 126.436 8.977 5.142 1.00 0.00 C ATOM 2078 C LYS A 133 126.106 9.193 6.620 1.00 0.00 C ATOM 2079 O LYS A 133 126.966 9.046 7.487 1.00 0.00 O ATOM 2080 CB LYS A 133 126.845 10.289 4.470 1.00 0.00 C ATOM 2081 CG LYS A 133 127.920 11.068 5.212 1.00 0.00 C ATOM 2082 CD LYS A 133 128.366 12.292 4.424 1.00 0.00 C ATOM 2083 CE LYS A 133 127.222 13.268 4.196 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.663 14.472 3.441 1.00 0.00 N ATOM 0 H LYS A 133 124.909 9.018 3.712 1.00 0.00 H new ATOM 0 HA LYS A 133 127.272 8.279 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 133 127.201 10.071 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.962 10.920 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.539 11.379 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.777 10.421 5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 133 129.171 12.795 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.771 11.977 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.422 12.769 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.808 13.573 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.855 15.112 3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 128.408 14.963 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 128.035 14.183 2.513 1.00 0.00 H new ATOM 2098 N MET A 134 124.851 9.525 6.898 1.00 0.00 N ATOM 2099 CA MET A 134 124.384 9.692 8.270 1.00 0.00 C ATOM 2100 C MET A 134 124.414 8.357 9.011 1.00 0.00 C ATOM 2101 O MET A 134 124.625 8.309 10.224 1.00 0.00 O ATOM 2102 CB MET A 134 122.966 10.271 8.282 1.00 0.00 C ATOM 2103 CG MET A 134 122.422 10.530 9.674 1.00 0.00 C ATOM 2104 SD MET A 134 120.770 11.254 9.655 1.00 0.00 S ATOM 2105 CE MET A 134 119.858 9.991 8.775 1.00 0.00 C ATOM 0 H MET A 134 124.135 9.685 6.189 1.00 0.00 H new ATOM 0 HA MET A 134 125.051 10.387 8.779 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.960 11.205 7.720 1.00 0.00 H new ATOM 0 HB3 MET A 134 122.298 9.583 7.763 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.397 9.592 10.229 1.00 0.00 H new ATOM 0 HG3 MET A 134 123.100 11.197 10.206 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.923 9.788 9.296 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.642 10.336 7.764 1.00 0.00 H new ATOM 0 HE3 MET A 134 120.453 9.079 8.728 1.00 0.00 H new ATOM 2115 N GLY A 135 124.217 7.276 8.266 1.00 0.00 N ATOM 2116 CA GLY A 135 124.248 5.947 8.842 1.00 0.00 C ATOM 2117 C GLY A 135 125.647 5.363 8.868 1.00 0.00 C ATOM 2118 O GLY A 135 125.818 4.146 8.931 1.00 0.00 O ATOM 0 H GLY A 135 124.035 7.299 7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.853 5.984 9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.593 5.290 8.270 1.00 0.00 H new ATOM 2122 N GLY A 136 126.650 6.232 8.784 1.00 0.00 N ATOM 2123 CA GLY A 136 128.029 5.794 8.891 1.00 0.00 C ATOM 2124 C GLY A 136 128.536 5.132 7.625 1.00 0.00 C ATOM 2125 O GLY A 136 129.642 4.595 7.599 1.00 0.00 O ATOM 0 H GLY A 136 126.531 7.235 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.660 6.651 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 136 128.120 5.095 9.722 1.00 0.00 H new ATOM 2129 N LEU A 137 127.734 5.168 6.575 1.00 0.00 N ATOM 2130 CA LEU A 137 128.110 4.547 5.317 1.00 0.00 C ATOM 2131 C LEU A 137 128.959 5.499 4.492 1.00 0.00 C ATOM 2132 O LEU A 137 128.441 6.384 3.809 1.00 0.00 O ATOM 2133 CB LEU A 137 126.872 4.140 4.519 1.00 0.00 C ATOM 2134 CG LEU A 137 127.159 3.484 3.170 1.00 0.00 C ATOM 2135 CD1 LEU A 137 127.486 2.011 3.347 1.00 0.00 C ATOM 2136 CD2 LEU A 137 125.984 3.678 2.228 1.00 0.00 C ATOM 0 H LEU A 137 126.820 5.620 6.568 1.00 0.00 H new ATOM 0 HA LEU A 137 128.690 3.652 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.280 3.451 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 137 126.259 5.026 4.352 1.00 0.00 H new ATOM 0 HG LEU A 137 128.031 3.965 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 137 127.687 1.563 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.365 1.907 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 137 126.640 1.504 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.203 3.205 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.092 3.225 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 137 125.812 4.743 2.075 1.00 0.00 H new ATOM 2148 N LEU A 138 130.264 5.326 4.571 1.00 0.00 N ATOM 2149 CA LEU A 138 131.174 6.144 3.798 1.00 0.00 C ATOM 2150 C LEU A 138 132.119 5.279 2.983 1.00 0.00 C ATOM 2151 O LEU A 138 133.239 4.987 3.398 1.00 0.00 O ATOM 2152 CB LEU A 138 131.952 7.119 4.693 1.00 0.00 C ATOM 2153 CG LEU A 138 131.155 8.347 5.145 1.00 0.00 C ATOM 2154 CD1 LEU A 138 131.981 9.224 6.071 1.00 0.00 C ATOM 2155 CD2 LEU A 138 130.692 9.148 3.936 1.00 0.00 C ATOM 0 H LEU A 138 130.716 4.628 5.162 1.00 0.00 H new ATOM 0 HA LEU A 138 130.578 6.739 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 138 132.299 6.582 5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 138 132.839 7.456 4.156 1.00 0.00 H new ATOM 0 HG LEU A 138 130.281 8.000 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 138 131.391 10.088 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 138 132.269 8.652 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 138 132.876 9.562 5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 138 130.127 10.018 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 138 131.559 9.477 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 138 130.058 8.523 3.307 1.00 0.00 H new ATOM 2167 N GLU A 139 131.634 4.841 1.828 1.00 0.00 N ATOM 2168 CA GLU A 139 132.459 4.115 0.875 1.00 0.00 C ATOM 2169 C GLU A 139 133.310 5.120 0.108 1.00 0.00 C ATOM 2170 O GLU A 139 134.238 4.765 -0.617 1.00 0.00 O ATOM 2171 CB GLU A 139 131.576 3.319 -0.090 1.00 0.00 C ATOM 2172 CG GLU A 139 130.502 2.490 0.603 1.00 0.00 C ATOM 2173 CD GLU A 139 131.068 1.417 1.512 1.00 0.00 C ATOM 2174 OE1 GLU A 139 131.349 1.712 2.691 1.00 0.00 O ATOM 2175 OE2 GLU A 139 131.219 0.266 1.049 1.00 0.00 O ATOM 0 H GLU A 139 130.668 4.978 1.529 1.00 0.00 H new ATOM 0 HA GLU A 139 133.104 3.412 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 139 131.097 4.010 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 139 132.207 2.657 -0.683 1.00 0.00 H new ATOM 0 HG2 GLU A 139 129.862 3.152 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 139 129.871 2.021 -0.152 1.00 0.00 H new ATOM 2182 N HIS A 140 132.960 6.388 0.289 1.00 0.00 N ATOM 2183 CA HIS A 140 133.678 7.497 -0.311 1.00 0.00 C ATOM 2184 C HIS A 140 134.045 8.512 0.768 1.00 0.00 C ATOM 2185 O HIS A 140 133.343 9.501 0.973 1.00 0.00 O ATOM 2186 CB HIS A 140 132.818 8.155 -1.402 1.00 0.00 C ATOM 2187 CG HIS A 140 133.463 9.328 -2.084 1.00 0.00 C ATOM 2188 ND1 HIS A 140 134.297 9.389 -3.147 1.00 0.00 N flip ATOM 2189 CD2 HIS A 140 133.255 10.633 -1.691 1.00 0.00 C flip ATOM 2190 CE1 HIS A 140 134.576 10.716 -3.370 1.00 0.00 C flip ATOM 2191 NE2 HIS A 140 133.933 11.442 -2.479 1.00 0.00 N flip ATOM 0 H HIS A 140 132.165 6.673 0.860 1.00 0.00 H new ATOM 0 HA HIS A 140 134.593 7.127 -0.773 1.00 0.00 H new ATOM 0 HB2 HIS A 140 132.572 7.405 -2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 140 131.878 8.482 -0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 140 132.633 10.944 -0.865 1.00 0.00 H new ATOM 0 HE1 HIS A 140 135.218 11.101 -4.149 1.00 0.00 H new ATOM 0 HE2 HIS A 140 133.956 12.459 -2.411 1.00 0.00 H new ATOM 2200 N HIS A 141 135.119 8.241 1.488 1.00 0.00 N ATOM 2201 CA HIS A 141 135.600 9.156 2.511 1.00 0.00 C ATOM 2202 C HIS A 141 136.565 10.145 1.872 1.00 0.00 C ATOM 2203 O HIS A 141 137.778 10.058 2.065 1.00 0.00 O ATOM 2204 CB HIS A 141 136.277 8.386 3.657 1.00 0.00 C ATOM 2205 CG HIS A 141 136.737 9.252 4.794 1.00 0.00 C ATOM 2206 ND1 HIS A 141 138.066 9.479 5.078 1.00 0.00 N ATOM 2207 CD2 HIS A 141 136.035 9.939 5.726 1.00 0.00 C ATOM 2208 CE1 HIS A 141 138.162 10.263 6.134 1.00 0.00 C ATOM 2209 NE2 HIS A 141 136.943 10.558 6.547 1.00 0.00 N ATOM 0 H HIS A 141 135.677 7.393 1.384 1.00 0.00 H new ATOM 0 HA HIS A 141 134.758 9.700 2.939 1.00 0.00 H new ATOM 0 HB2 HIS A 141 135.580 7.642 4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 141 137.134 7.844 3.258 1.00 0.00 H new ATOM 0 HD2 HIS A 141 134.959 9.990 5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 141 139.082 10.606 6.585 1.00 0.00 H new ATOM 0 HE2 HIS A 141 136.714 11.149 7.346 1.00 0.00 H new ATOM 2218 N HIS A 142 136.000 11.051 1.068 1.00 0.00 N ATOM 2219 CA HIS A 142 136.762 12.012 0.261 1.00 0.00 C ATOM 2220 C HIS A 142 137.487 11.296 -0.884 1.00 0.00 C ATOM 2221 O HIS A 142 137.421 11.724 -2.037 1.00 0.00 O ATOM 2222 CB HIS A 142 137.757 12.808 1.119 1.00 0.00 C ATOM 2223 CG HIS A 142 138.254 14.061 0.460 1.00 0.00 C ATOM 2224 ND1 HIS A 142 138.022 15.318 0.975 1.00 0.00 N ATOM 2225 CD2 HIS A 142 138.965 14.251 -0.678 1.00 0.00 C ATOM 2226 CE1 HIS A 142 138.565 16.222 0.183 1.00 0.00 C ATOM 2227 NE2 HIS A 142 139.143 15.604 -0.827 1.00 0.00 N ATOM 0 H HIS A 142 134.990 11.140 0.957 1.00 0.00 H new ATOM 0 HA HIS A 142 136.053 12.723 -0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 142 137.280 13.069 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 142 138.609 12.171 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 142 139.325 13.481 -1.344 1.00 0.00 H new ATOM 0 HE1 HIS A 142 138.540 17.291 0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 142 139.641 16.057 -1.594 1.00 0.00 H new ATOM 2236 N HIS A 143 138.171 10.210 -0.550 1.00 0.00 N ATOM 2237 CA HIS A 143 138.853 9.370 -1.526 1.00 0.00 C ATOM 2238 C HIS A 143 137.851 8.797 -2.530 1.00 0.00 C ATOM 2239 O HIS A 143 136.940 8.059 -2.156 1.00 0.00 O ATOM 2240 CB HIS A 143 139.587 8.239 -0.794 1.00 0.00 C ATOM 2241 CG HIS A 143 140.383 7.327 -1.680 1.00 0.00 C ATOM 2242 ND1 HIS A 143 141.664 7.613 -2.097 1.00 0.00 N ATOM 2243 CD2 HIS A 143 140.081 6.119 -2.208 1.00 0.00 C ATOM 2244 CE1 HIS A 143 142.113 6.624 -2.844 1.00 0.00 C ATOM 2245 NE2 HIS A 143 141.173 5.704 -2.927 1.00 0.00 N ATOM 0 H HIS A 143 138.269 9.885 0.412 1.00 0.00 H new ATOM 0 HA HIS A 143 139.577 9.971 -2.077 1.00 0.00 H new ATOM 0 HB2 HIS A 143 140.256 8.679 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 143 138.855 7.644 -0.248 1.00 0.00 H new ATOM 0 HD2 HIS A 143 139.152 5.581 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 143 143.086 6.576 -3.309 1.00 0.00 H new ATOM 0 HE2 HIS A 143 141.246 4.826 -3.442 1.00 0.00 H new ATOM 2254 N HIS A 144 138.018 9.155 -3.798 1.00 0.00 N ATOM 2255 CA HIS A 144 137.122 8.689 -4.853 1.00 0.00 C ATOM 2256 C HIS A 144 137.331 7.206 -5.133 1.00 0.00 C ATOM 2257 O HIS A 144 138.394 6.653 -4.846 1.00 0.00 O ATOM 2258 CB HIS A 144 137.324 9.499 -6.146 1.00 0.00 C ATOM 2259 CG HIS A 144 138.608 9.209 -6.869 1.00 0.00 C ATOM 2260 ND1 HIS A 144 139.800 9.834 -6.573 1.00 0.00 N ATOM 2261 CD2 HIS A 144 138.877 8.352 -7.884 1.00 0.00 C ATOM 2262 CE1 HIS A 144 140.744 9.373 -7.373 1.00 0.00 C ATOM 2263 NE2 HIS A 144 140.210 8.474 -8.176 1.00 0.00 N ATOM 0 H HIS A 144 138.767 9.767 -4.122 1.00 0.00 H new ATOM 0 HA HIS A 144 136.100 8.837 -4.504 1.00 0.00 H new ATOM 0 HB2 HIS A 144 136.490 9.299 -6.819 1.00 0.00 H new ATOM 0 HB3 HIS A 144 137.290 10.561 -5.903 1.00 0.00 H new ATOM 0 HD2 HIS A 144 138.172 7.695 -8.372 1.00 0.00 H new ATOM 0 HE1 HIS A 144 141.779 9.681 -7.370 1.00 0.00 H new ATOM 0 HE2 HIS A 144 140.709 7.954 -8.898 1.00 0.00 H new ATOM 2272 N HIS A 145 136.320 6.576 -5.701 1.00 0.00 N ATOM 2273 CA HIS A 145 136.407 5.177 -6.078 1.00 0.00 C ATOM 2274 C HIS A 145 136.271 5.055 -7.590 1.00 0.00 C ATOM 2275 O HIS A 145 135.138 4.852 -8.073 1.00 0.00 O ATOM 2276 CB HIS A 145 135.321 4.354 -5.372 1.00 0.00 C ATOM 2277 CG HIS A 145 135.417 2.879 -5.624 1.00 0.00 C ATOM 2278 ND1 HIS A 145 134.485 2.178 -6.358 1.00 0.00 N ATOM 2279 CD2 HIS A 145 136.333 1.968 -5.218 1.00 0.00 C ATOM 2280 CE1 HIS A 145 134.822 0.902 -6.393 1.00 0.00 C ATOM 2281 NE2 HIS A 145 135.939 0.749 -5.710 1.00 0.00 N ATOM 2282 OXT HIS A 145 137.292 5.199 -8.288 1.00 0.00 O ATOM 0 H HIS A 145 135.423 7.014 -5.913 1.00 0.00 H new ATOM 0 HA HIS A 145 137.376 4.784 -5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 145 135.382 4.534 -4.299 1.00 0.00 H new ATOM 0 HB3 HIS A 145 134.342 4.706 -5.699 1.00 0.00 H new ATOM 0 HD2 HIS A 145 137.210 2.164 -4.619 1.00 0.00 H new ATOM 0 HE1 HIS A 145 134.276 0.117 -6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 145 136.431 -0.133 -5.570 1.00 0.00 H new TER 2291 HIS A 145